G4VJ07_SCHMA Loading...

U6 snRNA phosphodiesterase

Phosphodiesterase responsible for the U6 snRNA 3' end processing. Acts as an exoribonuclease (RNase) responsible for trimming the poly(U) tract of the last nucleotides in the pre-U6 snRNA molecule, leading to the formation of mature U6 snRNA.

AlphaFold DB , UniProt , Accession G4VJ07, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 246 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.2	Very low	50.2	Low	236 Å²	236	153.8 Å²	153.8	100%	1.163	83%	0.828	S	S	*	*				0	98.4	0	-71.5	-177.1	176.6	0	0	106.7	T3	M1-T3 PolarHBondContact O-N 3.12Å
2	N	49.4	Very low	50.3	Low	144 Å²	144	152.8 Å²	152.8	77%	0.77	82%	0.822	S	S	*	*			trans	-81.4	107.3	179.3	-99.5	12.6	0	0	0	108.8	H4	N2-H4 PolarHBondContact O-N 3.35Å; N2-H4 VanDerWaalsContact O-N 3.12Å
3	T	49.5	Very low	50.1	Low	133 Å²	133	156.5 Å²	156.5	82%	0.816	83%	0.831	S	S	*	*			trans	-74.1	90.5	166.8	48	0	0	0	0	108	M1 L5	M1-T3 PolarHBondContact O-N 3.12Å; T3-L5 PolarHBondContact O-N 3.41Å
4	H	51.2	Low	50.3	Low	157 Å²	157	157.1 Å²	157.1	73%	0.727	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-70.5	121.9	167.4	-80.4	-84.5	0	0	0	108.5	N2 V6	N2-H4 PolarHBondContact O-N 3.35Å; N2-H4 VanDerWaalsContact O-N 3.12Å; H4-V6 PolarHBondContact O-N 3.41Å
5	L	52.6	Low	50.3	Low	165 Å²	165	159.3 Å²	159.3	86%	0.864	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-61.7	127.7	164.1	-90.3	99.2	0	0	0	107.7	T3 E7	T3-L5 PolarHBondContact O-N 3.41Å; L5-E7 PolarHBondContact O-N 3.28Å
6	V	59.5	Low	50.4	Low	122 Å²	122	157.5 Å²	157.5	74%	0.739	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-66.9	120.4	175.3	-172.4	0	0	0	0	107.8	H4 Y8	H4-V6 PolarHBondContact O-N 3.41Å; V6-Y8 PolarHBondContact O-N 3.3Å
7	E	44.2	Very low	51	Low	185 Å²	185	158.2 Å²	158.2	86%	0.864	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-68.4	116.1	171.6	-71.1	-175.6	168.6	0	0	108.6	L5 S9	L5-E7 PolarHBondContact O-N 3.28Å; E7-S9 PolarHBondContact O-N 3.16Å; E7-S9 VanDerWaalsContact O-N 3.16Å
8	Y	49.7	Very low	51.6	Low	221 Å²	221	160.1 Å²	160.1	87%	0.867	82%	0.824	S	S	*	*			trans	-71.7	107	169.6	-80.3	-90.5	0	0	0	108.1	V6 S10	V6-Y8 PolarHBondContact O-N 3.3Å; Y8-S10 PolarHBondContact O-N 2.91Å
9	S	46.1	Very low	52.7	Low	113 Å²	113	160.5 Å²	160.5	79%	0.79	83%	0.827	S	S	*	*			trans	-64.2	101.3	166.4	-147	0	0	0	0	107.6	E7 S11	E7-S9 PolarHBondContact O-N 3.16Å; E7-S9 VanDerWaalsContact O-N 3.16Å; S9-S11 PolarHBondContact O-N 2.97Å
10	S	52.6	Low	53.9	Low	129 Å²	129	161.5 Å²	161.5	90%	0.902	83%	0.827	S	S	*	*			trans	-71.8	82	169.9	-175.7	0	0	0	0	107.4	Y8	Y8-S10 PolarHBondContact O-N 2.91Å
11	S	51.3	Low	54.5	Low	87 Å²	87	158.2 Å²	158.2	61%	0.608	81%	0.811	S	S	*	*			trans	-141.8	80.8	173.4	169.5	0	0	0	0	106.6	S9	S9-S11 PolarHBondContact O-N 2.97Å
12	D	50.7	Low	56.1	Low	141 Å²	141	150.5 Å²	150.5	75%	0.754	78%	0.779	S	S	*	*			trans	-152.9	110.7	137.8	-83.8	-36	0	0	0	105.7	E14	D12-E14 HydrophobicContact CB-CG 4.31Å; D12-E14 PolarHBondContact O-N 2.76Å
13	E	48.7	Very low	57.3	Low	201 Å²	201	148.7 Å²	148.7	94%	0.939	77%	0.773	S	S	*	*			trans	-61.8	74.6	157	-67.6	-177.8	167.8	0	0	106.4	K15	E13-K15 VanDerWaalsContact C-N 3.33Å; E13-K15 PolarHBondContact O-N 2.87Å
14	E	51.8	Low	58.5	Low	166 Å²	166	147.4 Å²	147.4	78%	0.776	77%	0.765	S	S	*	*			trans	-59.4	105.9	168.2	-79.5	-166	168.9	0	0	105.4	D12 T16	D12-E14 HydrophobicContact CB-CG 4.31Å; D12-E14 PolarHBondContact O-N 2.76Å; E14-T16 VanDerWaalsContact C-N 3.27Å; E14-T16 PolarHBondContact O-N 2.69Å
15	K	50.6	Low	59.4	Low	190 Å²	190	143.3 Å²	143.3	83%	0.826	75%	0.748	S	S	*	*			trans	-46.9	104.5	159.8	-73.7	175.5	177.5	175.2	0	105.2	E13 E17	E13-K15 VanDerWaalsContact C-N 3.33Å; E13-K15 PolarHBondContact O-N 2.87Å; K15-E17 PolarHBondContact O-N 2.79Å
16	T	52.6	Low	60.2	Low	130 Å²	130	140.3 Å²	140.3	80%	0.798	73%	0.73	S	S	*	*			trans	-65.5	81.2	168.3	46.9	0	0	0	0	105.9	E14 K18	E14-T16 VanDerWaalsContact C-N 3.27Å; E14-T16 PolarHBondContact O-N 2.69Å; T16-K18 PolarHBondContact O-N 2.82Å
17	E	59.7	Low	60.7	Low	169 Å²	169	139.8 Å²	139.8	79%	0.79	72%	0.723	S	S	*	*			trans	-58	94.4	155	-82.1	-172.8	173.5	0	0	104.1	K15 L19	K15-E17 PolarHBondContact O-N 2.79Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 2.86Å
18	K	61.8	Low	61.8	Low	192 Å²	192	133.3 Å²	133.3	84%	0.835	69%	0.694	S	S	*	*			trans	-56.3	106.3	171.7	-128.9	178.6	-179	-179.6	0	104.4	T16 E20	T16-K18 PolarHBondContact O-N 2.82Å; K18-E20 PolarHBondContact O-N 3.39Å
19	L	73.8	Confident	62.5	Low	168 Å²	168	129.3 Å²	129.3	88%	0.88	69%	0.687	S	S	*	*			trans	-51	115	176.1	-69.6	168.8	0	0	0	107.1	E17 L21	E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 2.86Å; L19-L21 PolarHBondContact O-N 2.96Å
20	E	75.6	Confident	63.4	Low	180 Å²	180	127.5 Å²	127.5	84%	0.841	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-65	132.9	177	-67.2	-168.5	166.8	0	0	108	K18 P22	K18-E20 PolarHBondContact O-N 3.39Å; E20-P22 WeakPolarHBondContact O-CD 3.32Å; E20-P22 VanDerWaalsContact O-N 3.15Å
21	L	67.8	Low	64	Low	94 Å²	94	123.2 Å²	123.2	49%	0.492	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-57.8	122.4	177.2	-151.4	88.4	0	0	0	107.4	L19 T23 L25 Q26	L19-L21 PolarHBondContact O-N 2.96Å; L21-T23 PolarHBondContact O-N 3.29Å; L21-L25 HydrophobicContact CD2-CB 3.67Å; L21-L25 HydrophobicContact CG-CB 3.93Å; L21-L25 HydrophobicContact CG-CD1 4.38Å; L21-Q26 HydrophobicContact CB-CG 4.45Å; L21-Q26 HydrophobicContact CD2-CG 4.17Å; L21-Q26 PolarHBondContact O-NE2 3.22Å
22	P	78.3	Confident	64.5	Low	74 Å²	74	122.2 Å²	122.2	48%	0.481	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-47.4	134.7	175.3	-27.1	31.5	0	0	0	109.7	E20 T24 L25 Q26	E20-P22 WeakPolarHBondContact O-CD 3.32Å; E20-P22 VanDerWaalsContact O-N 3.15Å; P22-T24 PolarHBondContact O-N 3.17Å; P22-L25 HydrophobicContact CB-CG 4.29Å; P22-L25 HydrophobicContact CG-CD1 4.15Å; P22-L25 HydrophobicContact CG-CG 4.46Å; P22-L25 WeakPolarHBondContact O-CB 3.49Å; P22-L25 PolarHBondContact O-N 3.43Å; P22-Q26 PolarHBondContact O-N 3.29Å
23	T	74.5	Confident	65.1	Low	106 Å²	106	124.7 Å²	124.7	65%	0.65	64%	0.639	S	S	*	*	H	α-helix	trans	-52.8	-32.2	-176.5	23.4	0	0	0	0	112.5	L21 L25 Q26	L21-T23 PolarHBondContact O-N 3.29Å; T23-L25 VanDerWaalsContact C-N 3.26Å; T23-L25 PolarHBondContact O-N 2.8Å; T23-Q26 WeakPolarHBondContact O-CB 3.47Å; T23-Q26 PolarHBondContact O-N 3.03Å
24	T	75.1	Confident	65.7	Low	106 Å²	106	123.2 Å²	123.2	65%	0.65	63%	0.625	S	S	*	*	H	α-helix	trans	-62.5	-25.5	174.2	51.7	0	0	0	0	114.8	P22	P22-T24 PolarHBondContact O-N 3.17Å
25	L	70.6	Confident	66.2	Low	70 Å²	70	120.8 Å²	120.8	37%	0.366	61%	0.612	S	S	.	*	H	α-helix	trans	-90.8	-17.7	176.9	-56.1	-176.5	0	0	0	112.4	L21 P22 T23 D27 L28	L21-L25 HydrophobicContact CD2-CB 3.67Å; L21-L25 HydrophobicContact CG-CB 3.93Å; L21-L25 HydrophobicContact CG-CD1 4.38Å; P22-L25 HydrophobicContact CB-CG 4.29Å; P22-L25 HydrophobicContact CG-CD1 4.15Å; P22-L25 HydrophobicContact CG-CG 4.46Å; P22-L25 WeakPolarHBondContact O-CB 3.49Å; P22-L25 PolarHBondContact O-N 3.43Å; T23-L25 VanDerWaalsContact C-N 3.26Å; T23-L25 PolarHBondContact O-N 2.8Å; L25-D27 PolarHBondContact O-N 3.03Å; L25-L28 HydrophobicContact CB-CD1 4Å; L25-L28 HydrophobicContact CD2-CD1 3.32Å; L25-L28 HydrophobicContact CD2-CG 4.42Å; L25-L28 HydrophobicContact CG-CD1 4.22Å; L25-L28 WeakPolarHBondContact O-CB 3.41Å; L25-L28 PolarHBondContact O-N 3.19Å; L25-L28 VanDerWaalsContact O-N 3.09Å
26	Q	69.1	Low	66.5	Low	103 Å²	103	119.2 Å²	119.2	48%	0.481	61%	0.605	S	S	.	*	H	α-helix	trans	-63.4	-34	175.6	-64	178.7	14.1	0	0	110.5	L21 P22 T23 L28	L21-Q26 HydrophobicContact CB-CG 4.45Å; L21-Q26 HydrophobicContact CD2-CG 4.17Å; L21-Q26 PolarHBondContact O-NE2 3.22Å; P22-Q26 PolarHBondContact O-N 3.29Å; T23-Q26 WeakPolarHBondContact O-CB 3.47Å; T23-Q26 PolarHBondContact O-N 3.03Å; Q26-L28 VanDerWaalsContact C-N 3.29Å; Q26-L28 PolarHBondContact O-N 3.14Å
27	D	70.7	Confident	67	Low	111 Å²	111	119.2 Å²	119.2	59%	0.594	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-13.1	175.5	-66.3	-28.9	0	0	0	114.1	L25 S30 D31	L25-D27 PolarHBondContact O-N 3.03Å; D27-S30 VanDerWaalsContact CA-OG 3.27Å; D27-S30 WeakPolarHBondContact CA-OG 3.28Å; D27-S30 CarbonylContact O-C 3.58Å; D27-S30 PolarHBondContact O-N 3.46Å; D27-S30 PolarHBondContact O-OG 3.21Å; D27-D31 PolarHBondContact O-N 2.86Å; D27-D31 VanDerWaalsContact O-N 3.07Å
28	L	67	Low	67.3	Low	48 Å²	48	121.2 Å²	121.2	25%	0.251	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.9	-41.6	177.6	-78.9	166.6	0	0	0	111	L25 Q26 S30 D31 R34 F35	L25-L28 HydrophobicContact CB-CD1 4Å; L25-L28 HydrophobicContact CD2-CD1 3.32Å; L25-L28 HydrophobicContact CD2-CG 4.42Å; L25-L28 HydrophobicContact CG-CD1 4.22Å; L25-L28 WeakPolarHBondContact O-CB 3.41Å; L25-L28 PolarHBondContact O-N 3.19Å; L25-L28 VanDerWaalsContact O-N 3.09Å; Q26-L28 VanDerWaalsContact C-N 3.29Å; Q26-L28 PolarHBondContact O-N 3.14Å; L28-S30 PolarHBondContact O-N 3.49Å; L28-D31 VanDerWaalsContact O-CB 3.29Å; L28-D31 WeakPolarHBondContact O-CB 3.38Å; L28-D31 PolarHBondContact O-N 3.01Å; L28-R34 VanDerWaalsContact CD2-NH1 3.26Å; L28-F35 HydrophobicContact CB-CE2 4.24Å; L28-F35 WeakPolarHBondContact O-CD2 3.23Å; L28-F35 WeakPolarHBondContact O-CE2 3.48Å
29	N	64.5	Low	67.7	Low	137 Å²	137	120.9 Å²	120.9	73%	0.733	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-24	179.8	-73.8	-14.8	0	0	0	112.5
30	S	64.8	Low	67.8	Low	75 Å²	75	118.4 Å²	118.4	52%	0.524	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.5	-1.9	173.8	38.6	0	0	0	0	113.4	D27 L28 S32	D27-S30 VanDerWaalsContact CA-OG 3.27Å; D27-S30 WeakPolarHBondContact CA-OG 3.28Å; D27-S30 CarbonylContact O-C 3.58Å; D27-S30 PolarHBondContact O-N 3.46Å; D27-S30 PolarHBondContact O-OG 3.21Å; L28-S30 PolarHBondContact O-N 3.49Å; S30-S32 PolarHBondContact O-N 2.9Å; S30-S32 PolarHBondContact O-OG 3.33Å
31	D	65.8	Low	68	Low	40 Å²	40	112.7 Å²	112.7	21%	0.214	57%	0.57	C	S	.	*			trans	-72.1	81.3	171.9	-171.6	-13.8	0	0	0	109.6	D27 L28 F33 R34 F35	D27-D31 PolarHBondContact O-N 2.86Å; D27-D31 VanDerWaalsContact O-N 3.07Å; L28-D31 VanDerWaalsContact O-CB 3.29Å; L28-D31 WeakPolarHBondContact O-CB 3.38Å; L28-D31 PolarHBondContact O-N 3.01Å; D31-F33 PolarHBondContact O-N 3.42Å; D31-F33 VanDerWaalsContact O-N 3.12Å; D31-F33 WeakPolarHBondContact OD1-CA 3.39Å; D31-F33 VanDerWaalsContact OD1-CB 3.26Å; D31-F33 WeakPolarHBondContact OD1-CB 3.48Å; D31-F33 PolarHBondContact OD1-N 2.96Å; D31-R34 HydrophobicContact CB-CB 4.42Å; D31-R34 PolarHBondContact O-N 3.14Å; D31-R34 VanDerWaalsContact O-N 3.08Å; D31-R34 PolarHBondContact OD1-N 3.27Å; D31-R34 WeakPolarHBondContact OD2-CD 3.46Å; D31-R34 VanDerWaalsContact OD2-CG 3.24Å; D31-R34 WeakPolarHBondContact OD2-CG 3.42Å; D31-R34 IonicContact OD2-CZ 3.44Å; D31-R34 IonicContact OD2-NE 3.01Å; D31-R34 PolarHBondContact OD2-NE 3.09Å; D31-R34 IonicContact OD2-NH1 3.98Å; D31-R34 IonicContact OD2-NH2 3.98Å; D31-F35 HydrophobicContact CB-CD2 4.26Å; D31-F35 WeakPolarHBondContact O-CD2 3.46Å; D31-F35 PolarHBondContact O-N 3.42Å
32	S	61	Low	68.5	Low	65 Å²	65	110.9 Å²	110.9	46%	0.455	56%	0.563	S	S	.	*	H	α-helix	trans	-55.2	-30.5	176.2	-34.5	0	0	0	0	110.8	S30 R34 F36	S30-S32 PolarHBondContact O-N 2.9Å; S30-S32 PolarHBondContact O-OG 3.33Å; S32-R34 VanDerWaalsContact C-N 3.34Å; S32-R34 PolarHBondContact O-N 3.32Å; S32-F36 VanDerWaalsContact CB-CD2 3.45Å; S32-F36 VanDerWaalsContact CB-CE2 3.49Å; S32-F36 VanDerWaalsContact O-CA 3.25Å; S32-F36 WeakPolarHBondContact O-CA 3.34Å; S32-F36 WeakPolarHBondContact O-CB 3.27Å; S32-F36 WeakPolarHBondContact O-CD2 3.29Å; S32-F36 WeakPolarHBondContact O-CG 3.47Å; S32-F36 PolarHBondContact O-N 3.01Å
33	F	63.1	Low	68.6	Low	193 Å²	193	110.7 Å²	110.7	85%	0.846	56%	0.564	S	S	*	*	H	α-helix	trans	-65	-38	179.7	-173.8	-94.8	0	0	0	112.3	D31	D31-F33 PolarHBondContact O-N 3.42Å; D31-F33 VanDerWaalsContact O-N 3.12Å; D31-F33 WeakPolarHBondContact OD1-CA 3.39Å; D31-F33 VanDerWaalsContact OD1-CB 3.26Å; D31-F33 WeakPolarHBondContact OD1-CB 3.48Å; D31-F33 PolarHBondContact OD1-N 2.96Å
34	R	61.6	Low	68.9	Low	171 Å²	171	113 Å²	113	65%	0.645	57%	0.565	S	S	*	*	H	α-helix	trans	-87	-32.1	178	-67	-179.1	-162.9	165.9	7	113.7	L28 D31 S32	L28-R34 VanDerWaalsContact CD2-NH1 3.26Å; D31-R34 HydrophobicContact CB-CB 4.42Å; D31-R34 PolarHBondContact O-N 3.14Å; D31-R34 VanDerWaalsContact O-N 3.08Å; D31-R34 PolarHBondContact OD1-N 3.27Å; D31-R34 WeakPolarHBondContact OD2-CD 3.46Å; D31-R34 VanDerWaalsContact OD2-CG 3.24Å; D31-R34 WeakPolarHBondContact OD2-CG 3.42Å; D31-R34 IonicContact OD2-CZ 3.44Å; D31-R34 IonicContact OD2-NE 3.01Å; D31-R34 PolarHBondContact OD2-NE 3.09Å; D31-R34 IonicContact OD2-NH1 3.98Å; D31-R34 IonicContact OD2-NH2 3.98Å; S32-R34 VanDerWaalsContact C-N 3.34Å; S32-R34 PolarHBondContact O-N 3.32Å
35	F	62	Low	69	Low	115 Å²	115	110 Å²	110	50%	0.504	54%	0.544	S	S	.	.	H	α-helix	trans	-118.5	15.9	-172	-57.4	-80.6	0	0	0	114.2	L28 D31 V37	L28-F35 HydrophobicContact CB-CE2 4.24Å; L28-F35 WeakPolarHBondContact O-CD2 3.23Å; L28-F35 WeakPolarHBondContact O-CE2 3.48Å; D31-F35 HydrophobicContact CB-CD2 4.26Å; D31-F35 WeakPolarHBondContact O-CD2 3.46Å; D31-F35 PolarHBondContact O-N 3.42Å; F35-V37 PolarHBondContact O-N 3.07Å
36	F	57.4	Low	69.6	Low	156 Å²	156	110.5 Å²	110.5	68%	0.684	55%	0.547	S	S	*	.			trans	-53.6	114.4	174.4	-123.2	-73.8	0	0	0	108.3	S32 R38	S32-F36 VanDerWaalsContact CB-CD2 3.45Å; S32-F36 VanDerWaalsContact CB-CE2 3.49Å; S32-F36 VanDerWaalsContact O-CA 3.25Å; S32-F36 WeakPolarHBondContact O-CA 3.34Å; S32-F36 WeakPolarHBondContact O-CB 3.27Å; S32-F36 WeakPolarHBondContact O-CD2 3.29Å; S32-F36 WeakPolarHBondContact O-CG 3.47Å; S32-F36 PolarHBondContact O-N 3.01Å; F36-R38 PolarHBondContact O-N 3.38Å
37	V	61.9	Low	70.1	Confident	131 Å²	131	111.2 Å²	111.2	79%	0.794	55%	0.549	S	S	*	.			trans	-64.5	95.8	162	179.7	0	0	0	0	104.6	F35 E39	F35-V37 PolarHBondContact O-N 3.07Å; V37-E39 PolarHBondContact O-N 3.31Å; V37-E39 VanDerWaalsContact O-N 3.08Å
38	R	66.1	Low	70.4	Confident	211 Å²	211	114.6 Å²	114.6	80%	0.796	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-60.9	116	179.5	-174.3	174.8	178.7	152.4	-1.3	107.2	F36 D40	F36-R38 PolarHBondContact O-N 3.38Å; R38-D40 PolarHBondContact O-N 3.03Å
39	E	70.3	Confident	70.7	Confident	184 Å²	184	115.6 Å²	115.6	86%	0.86	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-57.4	123.9	169.8	-74.6	-175.9	171.5	0	0	108.3	V37	V37-E39 PolarHBondContact O-N 3.31Å; V37-E39 VanDerWaalsContact O-N 3.08Å
40	D	77	Confident	71.3	Confident	117 Å²	117	117.9 Å²	117.9	63%	0.626	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-74.7	127.6	179.6	-163.8	41.6	0	0	0	108.5	R38 P42 H45	R38-D40 PolarHBondContact O-N 3.03Å; D40-P42 WeakPolarHBondContact O-CD 3.47Å; D40-H45 IonicContact OD1-CD2 3.56Å; D40-H45 IonicContact OD1-NE2 3.95Å; D40-H45 PolarHBondContact OD1-NE2 2.82Å; D40-H45 IonicContact OD2-CE1 3.11Å; D40-H45 IonicContact OD2-NE2 2.59Å
41	D	79.1	Confident	71.8	Confident	60 Å²	60	118.9 Å²	118.9	32%	0.321	57%	0.565	S	S	.	*			trans	-111.7	99.1	175.2	176.6	-2.2	0	0	0	107.4	S43 K44 H45	D41-S43 VanDerWaalsContact CG-OG 3.28Å; D41-S43 PolarHBondContact O-N 3.16Å; D41-S43 WeakPolarHBondContact OD1-CB 3.11Å; D41-S43 PolarHBondContact OD1-N 2.88Å; D41-S43 VanDerWaalsContact OD1-N 3.13Å; D41-S43 PolarHBondContact OD1-OG 3.12Å; D41-S43 PolarHBondContact OD2-OG 2.92Å; D41-K44 HydrophobicContact CB-CD 4.03Å; D41-K44 HydrophobicContact CB-CG 4.18Å; D41-K44 PolarHBondContact O-N 3.19Å; D41-K44 WeakPolarHBondContact OD2-CE 3.31Å; D41-K44 IonicContact OD2-NZ 2.95Å; D41-H45 PolarHBondContact O-CD2 3.5Å; D41-H45 PolarHBondContact O-NE2 2.96Å
42	P	79.1	Confident	72.4	Confident	55 Å²	55	119.3 Å²	119.3	36%	0.357	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-54.5	-28.1	-176.3	-29.3	36.7	0	0	0	113.9	D40 K44 H45 D46 F47	D40-P42 WeakPolarHBondContact O-CD 3.47Å; P42-K44 PolarHBondContact O-N 3.44Å; P42-H45 WeakPolarHBondContact CA-NE2 3.36Å; P42-H45 PolarHBondContact O-N 3.05Å; P42-D46 PolarHBondContact O-N 3.4Å; P42-F47 HydrophobicContact CB-CD1 3.5Å; P42-F47 VanDerWaalsContact CB-CD1 3.5Å; P42-F47 HydrophobicContact CB-CE1 3.96Å; P42-F47 HydrophobicContact CB-CG 4.25Å; P42-F47 VanDerWaalsContact O-CA 3.3Å; P42-F47 WeakPolarHBondContact O-CA 3.48Å; P42-F47 PolarHBondContact O-N 2.94Å
43	S	80.5	Confident	73	Confident	71 Å²	71	121.2 Å²	121.2	50%	0.497	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-67.1	-23.5	-179.5	73.7	0	0	0	0	113.2	D41 H45	D41-S43 VanDerWaalsContact CG-OG 3.28Å; D41-S43 PolarHBondContact O-N 3.16Å; D41-S43 WeakPolarHBondContact OD1-CB 3.11Å; D41-S43 PolarHBondContact OD1-N 2.88Å; D41-S43 VanDerWaalsContact OD1-N 3.13Å; D41-S43 PolarHBondContact OD1-OG 3.12Å; D41-S43 PolarHBondContact OD2-OG 2.92Å; S43-H45 VanDerWaalsContact C-N 3.26Å; S43-H45 PolarHBondContact O-N 3.48Å
44	K	80.6	Confident	73.5	Confident	155 Å²	155	117.4 Å²	117.4	67%	0.674	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-78.8	-5.9	-179.1	-69.4	-179	-178.3	154.7	0	114.5	D41 P42	D41-K44 HydrophobicContact CB-CD 4.03Å; D41-K44 HydrophobicContact CB-CG 4.18Å; D41-K44 PolarHBondContact O-N 3.19Å; D41-K44 WeakPolarHBondContact OD2-CE 3.31Å; D41-K44 IonicContact OD2-NZ 2.95Å; P42-K44 PolarHBondContact O-N 3.44Å
45	H	77.2	Confident	74.3	Confident	43 Å²	43	114.1 Å²	114.1	20%	0.199	55%	0.553	C	S	.	*	G	3₁₀ helix	trans	-143.5	33.9	-179	53.7	79.4	0	0	0	111.1	D40 D41 P42 S43 F47 R48	D40-H45 IonicContact OD1-CD2 3.56Å; D40-H45 IonicContact OD1-NE2 3.95Å; D40-H45 PolarHBondContact OD1-NE2 2.82Å; D40-H45 IonicContact OD2-CE1 3.11Å; D40-H45 IonicContact OD2-NE2 2.59Å; D41-H45 PolarHBondContact O-CD2 3.5Å; D41-H45 PolarHBondContact O-NE2 2.96Å; P42-H45 WeakPolarHBondContact CA-NE2 3.36Å; P42-H45 PolarHBondContact O-N 3.05Å; S43-H45 VanDerWaalsContact C-N 3.26Å; S43-H45 PolarHBondContact O-N 3.48Å; H45-F47 PolarHBondContact O-N 3.36Å; H45-F47 VanDerWaalsContact O-N 3.11Å; H45-R48 PolarHBondContact CE1-O 2.92Å; H45-R48 PolarHBondContact ND1-N 3.49Å; H45-R48 VanDerWaalsContact ND1-N 3.11Å; H45-R48 PolarHBondContact ND1-O 3.23Å; H45-R48 WeakPolarHBondContact O-CB 3.25Å; H45-R48 PolarHBondContact O-N 2.88Å
46	D	82.3	Confident	75.2	Confident	80 Å²	80	114.5 Å²	114.5	43%	0.428	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	47.5	43.2	178.6	-47.6	-54.4	0	0	0	113	P42 R48 R147 W193 N195	P42-D46 PolarHBondContact O-N 3.4Å; D46-R48 PolarHBondContact O-N 3.4Å; D46-R147 PolarHBondContact O-NH2 2.79Å; D46-W193 HydrophobicContact CB-CH2 3.59Å; D46-W193 HydrophobicContact CB-CZ2 4.11Å; D46-N195 PolarHBondContact O-OD1 2.59Å
47	F	79.7	Confident	76.4	Confident	118 Å²	118	108.5 Å²	108.5	52%	0.518	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	14.9	-178	-57.5	-91.1	0	0	0	115	P42 H45 S49 R147	P42-F47 HydrophobicContact CB-CD1 3.5Å; P42-F47 VanDerWaalsContact CB-CD1 3.5Å; P42-F47 HydrophobicContact CB-CE1 3.96Å; P42-F47 HydrophobicContact CB-CG 4.25Å; P42-F47 VanDerWaalsContact O-CA 3.3Å; P42-F47 WeakPolarHBondContact O-CA 3.48Å; P42-F47 PolarHBondContact O-N 2.94Å; H45-F47 PolarHBondContact O-N 3.36Å; H45-F47 VanDerWaalsContact O-N 3.11Å; F47-S49 PolarHBondContact O-N 3.44Å; F47-R147 PolarHBondContact O-NH2 3Å
48	R	77.4	Confident	77.6	Confident	182 Å²	182	102.8 Å²	102.8	69%	0.687	52%	0.515	S	S	*	.			trans	-66	114	-178.3	-176.9	178.3	67.2	-172.9	-3.4	110.5	H45 D46	H45-R48 PolarHBondContact CE1-O 2.92Å; H45-R48 PolarHBondContact ND1-N 3.49Å; H45-R48 VanDerWaalsContact ND1-N 3.11Å; H45-R48 PolarHBondContact ND1-O 3.23Å; H45-R48 WeakPolarHBondContact O-CB 3.25Å; H45-R48 PolarHBondContact O-N 2.88Å; D46-R48 PolarHBondContact O-N 3.4Å
49	S	74.4	Confident	78.8	Confident	68 Å²	68	96.4 Å²	96.4	48%	0.476	49%	0.49	S	S	.	.			trans	-78.4	144.9	172.7	53.2	0	0	0	0	111.2	F47	F47-S49 PolarHBondContact O-N 3.44Å
50	R	75.4	Confident	79.9	Confident	185 Å²	185	89.7 Å²	89.7	70%	0.698	47%	0.466	S	S	*	.			trans	-75.7	137.6	168.7	-67.3	179.5	177.1	-103.4	1.5	109.2
51	T	76.4	Confident	80.8	Confident	97 Å²	97	84.1 Å²	84.1	60%	0.595	44%	0.437	S	S	*	.	S	Bend	trans	-80.8	-21.4	175.8	46.9	0	0	0	0	113
52	F	77.8	Confident	81.7	Confident	49 Å²	49	82.2 Å²	82.2	22%	0.215	43%	0.428	C	S	.	.	S	Bend	trans	-142	149	174.5	47.3	-90.6	0	0	0	110.7	A60 T105 P107	F52-A60 HydrophobicContact CE2-CB 4.05Å; F52-A60 HydrophobicContact CZ-CB 3.55Å; F52-T105 HydrophobicContact CE1-CG2 4.24Å; F52-T105 HydrophobicContact CZ-CG2 4.31Å; F52-P107 HydrophobicContact CD2-CB 4.16Å; F52-P107 HydrophobicContact CD2-CG 4.48Å; F52-P107 HydrophobicContact CE2-CB 3.89Å; F52-P107 HydrophobicContact CZ-CB 4.3Å
53	P	74.1	Confident	82.7	Confident	104 Å²	104	79.6 Å²	79.6	68%	0.675	41%	0.411	S	S	*	.			trans	-63.2	147.1	176.3	27.8	-34.5	0	0	0	110.5	E55	P53-E55 PolarHBondContact O-N 3.43Å
54	H	73.2	Confident	83.5	Confident	114 Å²	114	76.7 Å²	76.7	53%	0.528	39%	0.389	S	S	.	.			trans	-77.3	123.9	173.5	172.1	-86.5	0	0	0	109.9
55	E	78.9	Confident	84.4	Confident	101 Å²	101	69.3 Å²	69.3	47%	0.472	36%	0.357	S	S	.	.			trans	-106	138.2	169.9	-65.1	-179.4	176	0	0	109.7	P53 G57 S58	P53-E55 PolarHBondContact O-N 3.43Å; E55-G57 PolarHBondContact O-N 2.85Å; E55-S58 WeakPolarHBondContact O-CB 3.41Å; E55-S58 PolarHBondContact O-N 3.39Å
56	P	79.8	Confident	85.4	Confident	123 Å²	123	67.8 Å²	67.8	80%	0.799	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	125.9	172.5	-25.9	34.8	0	0	0	111.2
57	G	83	Confident	86.1	Confident	30 Å²	30	64 Å²	64	31%	0.309	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	10.3	-177.6	0	0	0	0	0	114.9	E55 W59 Y109 F110	E55-G57 PolarHBondContact O-N 2.85Å; G57-W59 WeakPolarHBondContact O-CZ3 3.39Å; G57-Y109 CarbonylContact O-C 3.57Å; G57-Y109 VanDerWaalsContact O-CA 3.23Å; G57-Y109 WeakPolarHBondContact O-CA 3.13Å; G57-Y109 WeakPolarHBondContact O-CD1 3.46Å; G57-F110 PolarHBondContact O-N 2.98Å
58	S	87.8	Confident	86.8	Confident	11 Å²	11	63.4 Å²	63.4	8%	0.077	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.2	174.1	-175.4	0	0	0	0	111.2	E55 P107 I108	E55-S58 WeakPolarHBondContact O-CB 3.41Å; E55-S58 PolarHBondContact O-N 3.39Å; S58-P107 WeakPolarHBondContact OG-CB 3.34Å; S58-I108 WeakPolarHBondContact CA-O 3.41Å
59	W	90.1	Very high	87.6	Confident	77 Å²	77	62.6 Å²	62.6	29%	0.292	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.1	-179	-69.4	-91	0	0	0	112.3	G57 T61 P107 I108 F110 I113 S236	G57-W59 WeakPolarHBondContact O-CZ3 3.39Å; W59-T61 PolarHBondContact O-N 3.12Å; W59-T61 PolarHBondContact O-OG1 3.2Å; W59-T61 VanDerWaalsContact O-OG1 3.09Å; W59-P107 WeakPolarHBondContact O-CA 3.29Å; W59-I108 PolarHBondContact N-O 3.04Å; W59-I108 PolarHBondContact O-N 2.77Å; W59-F110 HydrophobicContact CE3-CB 4.1Å; W59-F110 HydrophobicContact CE3-CD2 4.25Å; W59-F110 HydrophobicContact CH2-CB 3.45Å; W59-F110 VanDerWaalsContact CH2-CB 3.45Å; W59-F110 AromaticContact CH2-CD2 3.36Å; W59-F110 HydrophobicContact CH2-CD2 3.36Å; W59-F110 HydrophobicContact CH2-CE2 4.37Å; W59-F110 AromaticContact CH2-CG 3.64Å; W59-F110 HydrophobicContact CH2-CG 3.64Å; W59-F110 AromaticContact CZ2-CD2 3.94Å; W59-F110 HydrophobicContact CZ2-CD2 3.94Å; W59-F110 HydrophobicContact CZ3-CB 3.1Å; W59-F110 AromaticContact CZ3-CD2 3.59Å; W59-F110 HydrophobicContact CZ3-CD2 3.59Å; W59-F110 AromaticContact CZ3-CG 3.74Å; W59-F110 HydrophobicContact CZ3-CG 3.74Å; W59-F110 VanDerWaalsContact CZ3-N 3.27Å; W59-I113 HydrophobicContact CD2-CD1 4.46Å; W59-I113 HydrophobicContact CE3-CD1 4.13Å; W59-S236 WeakPolarHBondContact CB-OG 3.4Å
60	A	94.4	Very high	88.7	Confident	43 Å²	43	60 Å²	60	36%	0.355	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	122.3	169.4	0	0	0	0	0	110.2	F52 T105 S236 G237	F52-A60 HydrophobicContact CE2-CB 4.05Å; F52-A60 HydrophobicContact CZ-CB 3.55Å; A60-T105 HydrophobicContact CB-CG2 3.96Å; A60-S236 WeakPolarHBondContact O-CA 3.39Å; A60-G237 PolarHBondContact O-N 3.4Å
61	T	96.8	Very high	89.7	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.2	-173	-58.4	0	0	0	0	110.6	W59 T105 W106 I108 L116 K235 S236	W59-T61 PolarHBondContact O-N 3.12Å; W59-T61 PolarHBondContact O-OG1 3.2Å; W59-T61 VanDerWaalsContact O-OG1 3.09Å; T61-T105 CarbonylContact O-C 3.59Å; T61-T105 VanDerWaalsContact O-CA 3.28Å; T61-T105 WeakPolarHBondContact O-CA 3.47Å; T61-W106 HydrophobicContact CG2-CH2 3.82Å; T61-W106 HydrophobicContact CG2-CZ2 3.95Å; T61-W106 HydrophobicContact CG2-CZ3 4.16Å; T61-W106 PolarHBondContact N-O 3.08Å; T61-W106 PolarHBondContact O-N 3.25Å; T61-I108 HydrophobicContact CG2-CG2 4.37Å; T61-I108 WeakPolarHBondContact OG1-CG2 3.28Å; T61-L116 HydrophobicContact CG2-CD2 3.8Å; T61-K235 CarbonylContact C-O 3.48Å; T61-K235 WeakPolarHBondContact CA-O 3.36Å; T61-K235 WeakPolarHBondContact CG2-O 3.43Å; T61-S236 WeakPolarHBondContact OG1-CB 3.49Å; T61-S236 PolarHBondContact OG1-OG 3.18Å
62	S	97.7	Very high	90.6	Very high	19 Å²	19	52.9 Å²	52.9	13%	0.133	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	154.9	173.3	63.1	0	0	0	0	110.8	C234 K235	S62-C234 CarbonylContact O-C 3.24Å; S62-C234 WeakPolarHBondContact O-CA 3.42Å; S62-K235 PolarHBondContact N-O 2.92Å; S62-K235 PolarHBondContact O-N 3.38Å
63	V	98.6	Very high	91.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.9	176.7	-173.8	0	0	0	0	108.9	L102 S103 W106 L120 V169 I232 V233 C234	V63-L102 HydrophobicContact CG1-CB 4.32Å; V63-L102 HydrophobicContact CG1-CD1 4.46Å; V63-L102 PolarHBondContact O-N 3.08Å; V63-S103 PolarHBondContact N-OG 2.84Å; V63-S103 PolarHBondContact O-N 3.2Å; V63-S103 PolarHBondContact O-OG 3.41Å; V63-W106 HydrophobicContact CG2-CH2 3.99Å; V63-W106 HydrophobicContact CG2-CZ3 4.27Å; V63-L120 HydrophobicContact CG2-CD1 3.85Å; V63-L120 HydrophobicContact CG2-CD2 4.43Å; V63-V169 HydrophobicContact CB-CG1 4.19Å; V63-V169 HydrophobicContact CG1-CG1 3.94Å; V63-V169 HydrophobicContact CG2-CG1 4.46Å; V63-I232 HydrophobicContact CG1-CD1 3.83Å; V63-V233 VanDerWaalsContact CA-O 3.29Å; V63-V233 WeakPolarHBondContact CA-O 3.34Å; V63-C234 HydrophobicContact CG2-CB 4.48Å
64	Y	98.7	Very high	92.4	Very high	10 Å²	10	49.5 Å²	49.5	4%	0.039	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	165.3	-176.8	59.6	-98.8	0	0	0	112.4	P66 H99 I100 I232 V233 K235 H240	Y64-P66 HydrophobicContact CE2-CB 4.3Å; Y64-H99 HydrophobicContact CD2-CB 3.38Å; Y64-H99 AromaticContact CD2-CG 3.89Å; Y64-H99 HydrophobicContact CE2-CB 3.94Å; Y64-H99 HydrophobicContact CG-CB 3.91Å; Y64-H99 AromaticContact CG-CD2 3.8Å; Y64-H99 AromaticContact CG-CG 3.98Å; Y64-I100 CarbonylContact C-O 3.56Å; Y64-I100 WeakPolarHBondContact CA-O 3.17Å; Y64-I100 VanDerWaalsContact CB-O 3.26Å; Y64-I100 WeakPolarHBondContact CB-O 3.35Å; Y64-I232 CarbonylContact O-C 3.48Å; Y64-I232 WeakPolarHBondContact O-CA 3.31Å; Y64-V233 HydrophobicContact CD2-CB 4.11Å; Y64-V233 HydrophobicContact CE1-CB 4.31Å; Y64-V233 HydrophobicContact CE1-CG1 4.16Å; Y64-V233 HydrophobicContact CE2-CB 3.61Å; Y64-V233 HydrophobicContact CE2-CG1 4.04Å; Y64-V233 HydrophobicContact CE2-CG2 4.06Å; Y64-V233 PolarHBondContact N-O 3.43Å; Y64-V233 PolarHBondContact O-N 3.41Å; Y64-V233 WeakPolarHBondContact OH-CG1 3.5Å; Y64-K235 HydrophobicContact CE1-CB 3.8Å; Y64-K235 HydrophobicContact CE1-CD 4.38Å; Y64-H240 PolarHBondContact OH-CD2 3.19Å
65	I	98.6	Very high	93.5	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	121.2	169	-61.4	164.1	0	0	0	108.1	H99 I100 L102 L162 L165 V229 I232	I65-H99 CarbonylContact O-C 3.57Å; I65-H99 WeakPolarHBondContact O-CA 3.33Å; I65-H99 VanDerWaalsContact O-CB 3.26Å; I65-H99 WeakPolarHBondContact O-CB 3.35Å; I65-I100 HydrophobicContact CB-CB 4.29Å; I65-I100 PolarHBondContact N-O 2.76Å; I65-I100 PolarHBondContact O-N 3.2Å; I65-L102 HydrophobicContact CD1-CD1 4.33Å; I65-L102 HydrophobicContact CD1-CD2 4.14Å; I65-L102 HydrophobicContact CD1-CG 4.45Å; I65-L102 HydrophobicContact CG1-CD1 3.88Å; I65-L102 HydrophobicContact CG1-CD2 4.45Å; I65-L102 HydrophobicContact CG1-CG 4.22Å; I65-L162 HydrophobicContact CD1-CD2 3.4Å; I65-L165 HydrophobicContact CD1-CD2 4.12Å; I65-L165 HydrophobicContact CG1-CD2 4.42Å; I65-V229 HydrophobicContact CD1-CG1 3.97Å; I65-V229 HydrophobicContact CD1-CG2 4.29Å; I65-V229 HydrophobicContact CG1-CG1 4.02Å; I65-V229 HydrophobicContact CG2-CG1 3.82Å; I65-V229 HydrophobicContact CG2-CG2 4.17Å; I65-I232 HydrophobicContact CG1-CG2 4.12Å
66	P	98	Very high	94.4	Very high	10 Å²	10	47.4 Å²	47.4	7%	0.065	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	135.4	178	29.6	-32.4	0	0	0	111.8	Y64 Y68 H227 D231 V233	Y64-P66 HydrophobicContact CE2-CB 4.3Å; P66-Y68 HydrophobicContact CB-CD2 3.81Å; P66-Y68 HydrophobicContact CB-CE1 4.25Å; P66-Y68 HydrophobicContact CB-CE2 3.34Å; P66-Y68 HydrophobicContact CB-CG 4.44Å; P66-Y68 HydrophobicContact CG-CE2 4.2Å; P66-H227 PolarHBondContact O-CE1 3.35Å; P66-H227 PolarHBondContact O-NE2 3.27Å; P66-H227 VanDerWaalsContact O-NE2 3.15Å; P66-D231 WeakPolarHBondContact CG-OD2 3.28Å; P66-V233 HydrophobicContact CB-CG2 4.21Å; P66-V233 HydrophobicContact CG-CG2 3.78Å
67	C	97.6	Very high	95.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.			trans	-119	38	-179.1	-59.6	0	0	0	0	112.2	H69 L70 P98 M189	C67-H69 VanDerWaalsContact C-N 3.25Å; C67-H69 PolarHBondContact O-N 3.4Å; C67-H69 VanDerWaalsContact O-N 3.17Å; C67-L70 HydrophobicContact CB-CD1 4.29Å; C67-L70 WeakPolarHBondContact O-CB 3.45Å; C67-L70 PolarHBondContact O-N 2.94Å; C67-P98 HydrophobicContact CB-CB 4.29Å; C67-P98 PolarHBondContact N-O 3.32Å; C67-M189 HydrophobicContact CB-CG 4.26Å; C67-M189 HydrophobicContact CB-SD 3.35Å; C67-M189 WeakPolarHBondContact CB-SD 3.33Å
68	Y	95.3	Very high	95.8	Very high	106 Å²	106	41.1 Å²	41.1	42%	0.416	21%	0.207	S	C	.	.	H	α-helix	trans	-55.6	-36.9	-172.9	-55.4	-50	0	0	0	113.8	P66 L70 H71	P66-Y68 HydrophobicContact CB-CD2 3.81Å; P66-Y68 HydrophobicContact CB-CE1 4.25Å; P66-Y68 HydrophobicContact CB-CE2 3.34Å; P66-Y68 HydrophobicContact CB-CG 4.44Å; P66-Y68 HydrophobicContact CG-CE2 4.2Å; Y68-L70 PolarHBondContact O-N 3.42Å; Y68-H71 VanDerWaalsContact O-CB 3.26Å; Y68-H71 WeakPolarHBondContact O-CB 3.34Å; Y68-H71 PolarHBondContact O-N 2.98Å; Y68-H71 VanDerWaalsContact O-N 3.08Å
69	H	94.2	Very high	96.2	Very high	165 Å²	165	46.7 Å²	46.7	76%	0.764	23%	0.229	S	C	*	.	H	α-helix	trans	-64.7	-21.4	179.5	-61.7	-60.1	0	0	0	113.8	C67	C67-H69 VanDerWaalsContact C-N 3.25Å; C67-H69 PolarHBondContact O-N 3.4Å; C67-H69 VanDerWaalsContact O-N 3.17Å
70	L	95.9	Very high	96.5	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.073	23%	0.231	C	C	.	.	H	α-helix	trans	-84.1	-16.6	176.9	-59.2	-174.1	0	0	0	112.4	C67 Y68 S72 R73 I74 L134 M189 I225 H227	C67-L70 HydrophobicContact CB-CD1 4.29Å; C67-L70 WeakPolarHBondContact O-CB 3.45Å; C67-L70 PolarHBondContact O-N 2.94Å; Y68-L70 PolarHBondContact O-N 3.42Å; L70-S72 PolarHBondContact O-N 2.86Å; L70-R73 PolarHBondContact O-N 3.21Å; L70-I74 VanDerWaalsContact O-CG1 3.23Å; L70-I74 WeakPolarHBondContact O-CG1 3.43Å; L70-I74 PolarHBondContact O-N 3.2Å; L70-L134 HydrophobicContact CD1-CD1 3.72Å; L70-M189 HydrophobicContact CB-CE 4.23Å; L70-M189 HydrophobicContact CB-SD 4.23Å; L70-M189 HydrophobicContact CD1-CE 4.06Å; L70-M189 HydrophobicContact CD1-SD 3.84Å; L70-I225 HydrophobicContact CD1-CG2 3.97Å; L70-I225 HydrophobicContact CD2-CG2 3.55Å; L70-I225 HydrophobicContact CG-CG2 4.42Å; L70-H227 HydrophobicContact CD1-CB 4.29Å
71	H	96.2	Very high	96.7	Very high	48 Å²	48	48.7 Å²	48.7	22%	0.222	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-51.3	-172	-173.1	-161.3	0	0	0	112.6	Y68 R73 I74 L75 V95 D96 P98	Y68-H71 VanDerWaalsContact O-CB 3.26Å; Y68-H71 WeakPolarHBondContact O-CB 3.34Å; Y68-H71 PolarHBondContact O-N 2.98Å; Y68-H71 VanDerWaalsContact O-N 3.08Å; H71-R73 PolarHBondContact O-N 2.88Å; H71-I74 PolarHBondContact O-N 2.92Å; H71-L75 WeakPolarHBondContact NE2-CD1 3.43Å; H71-L75 WeakPolarHBondContact O-CG 3.01Å; H71-L75 PolarHBondContact O-N 3.1Å; H71-V95 PolarHBondContact NE2-O 2.79Å; H71-D96 PolarHBondContact CE1-O 2.87Å; H71-P98 HydrophobicContact CB-CG 3.87Å
72	S	95.6	Very high	96.7	Very high	85 Å²	85	52.3 Å²	52.3	59%	0.594	27%	0.267	S	S	*	.	H	α-helix	trans	-61.2	-43.2	-179	54.6	0	0	0	0	112.5	L70 I74 L75 E76	L70-S72 PolarHBondContact O-N 2.86Å; S72-I74 VanDerWaalsContact C-N 3.33Å; S72-I74 PolarHBondContact O-N 3.19Å; S72-L75 PolarHBondContact O-N 2.92Å; S72-E76 WeakPolarHBondContact O-CB 3.48Å; S72-E76 PolarHBondContact O-N 2.93Å
73	R	94.5	Very high	96.7	Very high	77 Å²	77	51.4 Å²	51.4	29%	0.291	26%	0.261	S	S	.	.	H	α-helix	trans	-58.4	-45.4	175.8	174.9	-179.7	174.5	149.5	4.8	111.5	L70 H71 E76 A77 I218	L70-R73 PolarHBondContact O-N 3.21Å; H71-R73 PolarHBondContact O-N 2.88Å; R73-E76 PolarHBondContact O-N 2.95Å; R73-A77 PolarHBondContact O-N 3.02Å; R73-I218 PolarHBondContact NH2-O 3.49Å
74	I	96.2	Very high	96.6	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-71.1	-40.9	-177.6	-62.6	-67.3	0	0	0	111.4	L70 H71 S72 E76 A77 I78 L152 M189 F191 I218	L70-I74 VanDerWaalsContact O-CG1 3.23Å; L70-I74 WeakPolarHBondContact O-CG1 3.43Å; L70-I74 PolarHBondContact O-N 3.2Å; H71-I74 PolarHBondContact O-N 2.92Å; S72-I74 VanDerWaalsContact C-N 3.33Å; S72-I74 PolarHBondContact O-N 3.19Å; I74-E76 VanDerWaalsContact C-N 3.27Å; I74-E76 PolarHBondContact O-N 2.83Å; I74-A77 PolarHBondContact O-N 3.01Å; I74-I78 HydrophobicContact CG2-CD1 3.62Å; I74-I78 HydrophobicContact CG2-CG1 4.4Å; I74-I78 WeakPolarHBondContact O-CD1 3.46Å; I74-I78 VanDerWaalsContact O-CG1 3.29Å; I74-I78 WeakPolarHBondContact O-CG1 3.33Å; I74-I78 PolarHBondContact O-N 3.12Å; I74-L152 HydrophobicContact CD1-CD1 3.7Å; I74-M189 HydrophobicContact CG1-CE 4.24Å; I74-F191 HydrophobicContact CG2-CB 3.56Å; I74-F191 HydrophobicContact CG2-CD2 3.83Å; I74-F191 HydrophobicContact CG2-CG 3.81Å; I74-I218 HydrophobicContact CD1-CB 4.45Å; I74-I218 HydrophobicContact CD1-CD1 4.09Å; I74-I218 HydrophobicContact CD1-CG1 4.04Å; I74-I218 HydrophobicContact CD1-CG2 3.61Å
75	L	96.7	Very high	96.5	Very high	56 Å²	56	60.3 Å²	60.3	29%	0.293	31%	0.314	S	S	.	.	H	α-helix	trans	-59.5	-39.7	173.2	-71.1	-176.8	0	0	0	111.9	H71 S72 I78 K79 T94	H71-L75 WeakPolarHBondContact NE2-CD1 3.43Å; H71-L75 WeakPolarHBondContact O-CG 3.01Å; H71-L75 PolarHBondContact O-N 3.1Å; S72-L75 PolarHBondContact O-N 2.92Å; L75-I78 PolarHBondContact O-N 3.35Å; L75-K79 WeakPolarHBondContact O-CG 3.23Å; L75-K79 PolarHBondContact O-N 3.01Å; L75-T94 HydrophobicContact CD2-CG2 3.65Å
76	E	96.4	Very high	96.3	Very high	114 Å²	114	61.3 Å²	61.3	53%	0.533	32%	0.319	S	S	.	.	H	α-helix	trans	-66.7	-43.6	177	-167.1	58.4	-157.2	0	0	111.8	S72 R73 I74 I78 K79	S72-E76 WeakPolarHBondContact O-CB 3.48Å; S72-E76 PolarHBondContact O-N 2.93Å; R73-E76 PolarHBondContact O-N 2.95Å; I74-E76 VanDerWaalsContact C-N 3.27Å; I74-E76 PolarHBondContact O-N 2.83Å; E76-I78 VanDerWaalsContact C-N 3.3Å; E76-I78 PolarHBondContact O-N 2.78Å; E76-K79 WeakPolarHBondContact O-CB 3.06Å; E76-K79 PolarHBondContact O-N 3.12Å; E76-K79 IonicContact OE2-NZ 2.84Å; E76-K79 PolarHBondContact OE2-NZ 3.42Å
77	A	96	Very high	96.1	Very high	15 Å²	15	64.6 Å²	64.6	12%	0.124	34%	0.34	C	S	.	.	H	α-helix	trans	-60.3	-38.4	176.4	0	0	0	0	0	112.6	R73 I74 K79 D80 I83 A217 I218	R73-A77 PolarHBondContact O-N 3.02Å; I74-A77 PolarHBondContact O-N 3.01Å; A77-K79 VanDerWaalsContact C-N 3.26Å; A77-K79 PolarHBondContact O-N 3.36Å; A77-D80 WeakPolarHBondContact O-CB 3.39Å; A77-D80 PolarHBondContact O-N 3.06Å; A77-I83 WeakPolarHBondContact O-CD1 2.99Å; A77-A217 HydrophobicContact CB-CB 4.27Å; A77-I218 HydrophobicContact CB-CB 4.47Å; A77-I218 HydrophobicContact CB-CG1 3.78Å
78	I	96.7	Very high	96.1	Very high	6 Å²	6	64.6 Å²	64.6	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-70.5	-21.6	-178.7	-68.9	160.6	0	0	0	112.3	I74 L75 E76 D80 I83 Q84 M89 F191 L192 L214	I74-I78 HydrophobicContact CG2-CD1 3.62Å; I74-I78 HydrophobicContact CG2-CG1 4.4Å; I74-I78 WeakPolarHBondContact O-CD1 3.46Å; I74-I78 VanDerWaalsContact O-CG1 3.29Å; I74-I78 WeakPolarHBondContact O-CG1 3.33Å; I74-I78 PolarHBondContact O-N 3.12Å; L75-I78 PolarHBondContact O-N 3.35Å; E76-I78 VanDerWaalsContact C-N 3.3Å; E76-I78 PolarHBondContact O-N 2.78Å; I78-D80 PolarHBondContact O-N 3.13Å; I78-I83 HydrophobicContact CG2-CG2 4.17Å; I78-I83 WeakPolarHBondContact O-CG2 3.29Å; I78-Q84 PolarHBondContact O-NE2 3.4Å; I78-M89 HydrophobicContact CG2-CE 3.63Å; I78-M89 HydrophobicContact CG2-SD 3.83Å; I78-F191 HydrophobicContact CD1-CD2 3.83Å; I78-F191 HydrophobicContact CD1-CE2 4.35Å; I78-L192 HydrophobicContact CD1-CD1 4.22Å; I78-L192 HydrophobicContact CD1-CD2 3.87Å; I78-L192 HydrophobicContact CD1-CG 3.93Å; I78-L192 HydrophobicContact CG1-CD1 4.48Å; I78-L192 HydrophobicContact CG2-CD2 4.49Å; I78-L214 HydrophobicContact CG1-CD2 4.37Å
79	K	96.9	Very high	96.2	Very high	128 Å²	128	60.6 Å²	60.6	56%	0.557	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-6.2	175.9	-69.1	171.9	-167	165.7	0	113.8	L75 E76 A77	L75-K79 WeakPolarHBondContact O-CG 3.23Å; L75-K79 PolarHBondContact O-N 3.01Å; E76-K79 WeakPolarHBondContact O-CB 3.06Å; E76-K79 PolarHBondContact O-N 3.12Å; E76-K79 IonicContact OE2-NZ 2.84Å; E76-K79 PolarHBondContact OE2-NZ 3.42Å; A77-K79 VanDerWaalsContact C-N 3.26Å; A77-K79 PolarHBondContact O-N 3.36Å
80	D	96.5	Very high	96.2	Very high	60 Å²	60	57 Å²	57	32%	0.321	32%	0.324	S	S	.	.			trans	-50.1	128.8	175.3	-171.1	-61.9	0	0	0	110.7	A77 I78 V82 I83 Q84 A217	A77-D80 WeakPolarHBondContact O-CB 3.39Å; A77-D80 PolarHBondContact O-N 3.06Å; I78-D80 PolarHBondContact O-N 3.13Å; D80-V82 PolarHBondContact O-N 3.33Å; D80-V82 VanDerWaalsContact O-N 3.14Å; D80-V82 VanDerWaalsContact OD1-CB 3.26Å; D80-V82 WeakPolarHBondContact OD1-CB 2.97Å; D80-V82 WeakPolarHBondContact OD1-CG2 3.09Å; D80-V82 PolarHBondContact OD1-N 3.23Å; D80-I83 HydrophobicContact CB-CB 4.28Å; D80-I83 HydrophobicContact CB-CD1 3.92Å; D80-I83 HydrophobicContact CB-CG1 4.16Å; D80-I83 WeakPolarHBondContact O-CB 3.24Å; D80-I83 PolarHBondContact O-N 3.26Å; D80-Q84 WeakPolarHBondContact O-CG 3.45Å; D80-Q84 PolarHBondContact O-N 3.06Å; D80-A217 HydrophobicContact CB-CB 4.39Å
81	P	96.9	Very high	96.1	Very high	103 Å²	103	58.4 Å²	58.4	67%	0.669	33%	0.332	S	S	*	.	H	α-helix	trans	-55.5	-30.9	-179.4	-27.4	35.4	0	0	0	114.7	S85	P81-S85 VanDerWaalsContact O-CB 3.29Å; P81-S85 WeakPolarHBondContact O-CB 3.49Å; P81-S85 PolarHBondContact O-N 3.14Å; P81-S85 PolarHBondContact O-OG 3.34Å
82	V	96.9	Very high	96.1	Very high	76 Å²	76	56.8 Å²	56.8	46%	0.461	33%	0.326	S	S	.	.	H	α-helix	trans	-67.9	-42.1	176.3	-178.3	0	0	0	0	110.4	D80 S85 D213	D80-V82 PolarHBondContact O-N 3.33Å; D80-V82 VanDerWaalsContact O-N 3.14Å; D80-V82 VanDerWaalsContact OD1-CB 3.26Å; D80-V82 WeakPolarHBondContact OD1-CB 2.97Å; D80-V82 WeakPolarHBondContact OD1-CG2 3.09Å; D80-V82 PolarHBondContact OD1-N 3.23Å; V82-S85 PolarHBondContact O-OG 2.89Å; V82-D213 HydrophobicContact CG1-CB 4.26Å
83	I	97.5	Very high	96.2	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-67.2	-47.5	175.6	-67.9	169.3	0	0	0	110	A77 I78 D80 S85 N86 M89 F210 D213 L214 A217	A77-I83 WeakPolarHBondContact O-CD1 2.99Å; I78-I83 HydrophobicContact CG2-CG2 4.17Å; I78-I83 WeakPolarHBondContact O-CG2 3.29Å; D80-I83 HydrophobicContact CB-CB 4.28Å; D80-I83 HydrophobicContact CB-CD1 3.92Å; D80-I83 HydrophobicContact CB-CG1 4.16Å; D80-I83 WeakPolarHBondContact O-CB 3.24Å; D80-I83 PolarHBondContact O-N 3.26Å; I83-S85 VanDerWaalsContact C-N 3.3Å; I83-S85 PolarHBondContact O-N 2.87Å; I83-N86 WeakPolarHBondContact O-CB 3.01Å; I83-N86 PolarHBondContact O-N 3.44Å; I83-N86 VanDerWaalsContact O-N 3.14Å; I83-M89 HydrophobicContact CG2-CG 4.22Å; I83-M89 HydrophobicContact CG2-SD 4.04Å; I83-M89 WeakPolarHBondContact O-CB 3.38Å; I83-F210 HydrophobicContact CG2-CE2 3.9Å; I83-F210 HydrophobicContact CG2-CZ 4.34Å; I83-D213 HydrophobicContact CG1-CB 4.39Å; I83-L214 HydrophobicContact CD1-CD2 3.89Å; I83-L214 HydrophobicContact CG1-CD2 4.31Å; I83-L214 HydrophobicContact CG2-CD2 4.06Å; I83-A217 HydrophobicContact CD1-CB 3.38Å
84	Q	97.3	Very high	96.3	Very high	101 Å²	101	56.4 Å²	56.4	47%	0.472	32%	0.319	S	S	.	.	H	α-helix	trans	-65.3	-30.1	-177	-69.4	-62	-53.4	0	0	113.6	I78 D80 N86	I78-Q84 PolarHBondContact O-NE2 3.4Å; D80-Q84 WeakPolarHBondContact O-CG 3.45Å; D80-Q84 PolarHBondContact O-N 3.06Å; Q84-N86 VanDerWaalsContact C-N 3.32Å
85	S	95.8	Very high	96.3	Very high	95 Å²	95	57.2 Å²	57.2	66%	0.664	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-8.3	177	57.7	0	0	0	0	114	P81 V82 I83	P81-S85 VanDerWaalsContact O-CB 3.29Å; P81-S85 WeakPolarHBondContact O-CB 3.49Å; P81-S85 PolarHBondContact O-N 3.14Å; P81-S85 PolarHBondContact O-OG 3.34Å; V82-S85 PolarHBondContact O-OG 2.89Å; I83-S85 VanDerWaalsContact C-N 3.3Å; I83-S85 PolarHBondContact O-N 2.87Å
86	N	95.5	Very high	96.1	Very high	22 Å²	22	60.4 Å²	60.4	12%	0.118	34%	0.341	C	S	.	.	S	Bend	trans	-76.6	132.2	-178.6	-166.8	-60.9	0	0	0	111.4	I83 Q84 V88 M89 F210	I83-N86 WeakPolarHBondContact O-CB 3.01Å; I83-N86 PolarHBondContact O-N 3.44Å; I83-N86 VanDerWaalsContact O-N 3.14Å; Q84-N86 VanDerWaalsContact C-N 3.32Å; N86-V88 PolarHBondContact O-N 2.99Å; N86-V88 VanDerWaalsContact O-N 3.1Å; N86-V88 WeakPolarHBondContact OD1-CB 3.41Å; N86-V88 WeakPolarHBondContact OD1-CG2 3.42Å; N86-V88 PolarHBondContact OD1-N 3.34Å; N86-M89 WeakPolarHBondContact O-CB 3.26Å; N86-M89 PolarHBondContact O-N 2.93Å; N86-F210 HydrophobicContact CB-CD2 3.63Å; N86-F210 HydrophobicContact CB-CE2 3.87Å; N86-F210 WeakPolarHBondContact ND2-CD2 3.31Å
87	P	94.3	Very high	96	Very high	79 Å²	79	58 Å²	58	51%	0.513	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.2	-178.7	26	-36.8	0	0	0	114.4	Y202	P87-Y202 HydrophobicContact CB-CE1 4.38Å; P87-Y202 PolarHBondContact O-OH 3.44Å
88	V	97.1	Very high	96.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-38.7	173.5	-176.5	0	0	0	0	110.6	N86 A90 D91 C92 F150 Y202 T206 L207 F210	N86-V88 PolarHBondContact O-N 2.99Å; N86-V88 VanDerWaalsContact O-N 3.1Å; N86-V88 WeakPolarHBondContact OD1-CB 3.41Å; N86-V88 WeakPolarHBondContact OD1-CG2 3.42Å; N86-V88 PolarHBondContact OD1-N 3.34Å; V88-A90 PolarHBondContact O-N 3.36Å; V88-D91 PolarHBondContact O-N 2.85Å; V88-D91 VanDerWaalsContact O-N 3.08Å; V88-C92 PolarHBondContact O-N 2.92Å; V88-C92 PolarHBondContact O-SG 2.82Å; V88-F150 HydrophobicContact CG1-CE2 4.14Å; V88-F150 HydrophobicContact CG1-CZ 3.64Å; V88-Y202 HydrophobicContact CB-CE2 4.47Å; V88-Y202 HydrophobicContact CG1-CE2 4.36Å; V88-Y202 HydrophobicContact CG2-CD1 3.85Å; V88-Y202 HydrophobicContact CG2-CD2 4.07Å; V88-Y202 HydrophobicContact CG2-CE1 3.91Å; V88-Y202 HydrophobicContact CG2-CE2 4.15Å; V88-Y202 HydrophobicContact CG2-CG 3.91Å; V88-T206 HydrophobicContact CG2-CG2 3.83Å; V88-L207 HydrophobicContact CG1-CD2 4.33Å; V88-L207 HydrophobicContact CG2-CD2 4.29Å; V88-F210 HydrophobicContact CB-CD1 3.75Å; V88-F210 HydrophobicContact CB-CD2 4.48Å; V88-F210 HydrophobicContact CB-CE1 3.99Å; V88-F210 HydrophobicContact CB-CG 4.02Å; V88-F210 HydrophobicContact CB-CZ 4.45Å; V88-F210 HydrophobicContact CG1-CD1 3.54Å; V88-F210 HydrophobicContact CG1-CE1 3.63Å; V88-F210 HydrophobicContact CG1-CG 4.3Å; V88-F210 HydrophobicContact CG1-CZ 4.45Å; V88-F210 HydrophobicContact CG2-CB 4.43Å; V88-F210 HydrophobicContact CG2-CD1 4.41Å; V88-F210 HydrophobicContact CG2-CG 4.43Å
89	M	96.9	Very high	96.2	Very high	22 Å²	22	60 Å²	60	11%	0.108	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-62.5	-30.3	179.8	-172.3	60.9	-144.6	0	0	112.4	I78 I83 N86 D91 C92 L192 F210	I78-M89 HydrophobicContact CG2-CE 3.63Å; I78-M89 HydrophobicContact CG2-SD 3.83Å; I83-M89 HydrophobicContact CG2-CG 4.22Å; I83-M89 HydrophobicContact CG2-SD 4.04Å; I83-M89 WeakPolarHBondContact O-CB 3.38Å; N86-M89 WeakPolarHBondContact O-CB 3.26Å; N86-M89 PolarHBondContact O-N 2.93Å; M89-D91 PolarHBondContact O-N 3.29Å; M89-C92 HydrophobicContact CE-CB 4.04Å; M89-C92 WeakPolarHBondContact O-CB 3.44Å; M89-C92 PolarHBondContact O-N 2.92Å; M89-C92 HydrophobicContact SD-CB 3.91Å; M89-L192 HydrophobicContact CE-CD1 4.46Å; M89-L192 HydrophobicContact CE-CD2 3.95Å; M89-L192 HydrophobicContact SD-CD1 3.75Å; M89-L192 HydrophobicContact SD-CD2 4.34Å; M89-F210 HydrophobicContact CB-CE2 3.95Å; M89-F210 HydrophobicContact CB-CZ 3.94Å; M89-F210 HydrophobicContact SD-CZ 4.1Å
90	A	94.3	Very high	96.2	Very high	89 Å²	89	53.9 Å²	53.9	74%	0.736	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-63.5	-22.7	176.2	0	0	0	0	0	113.8	V88	V88-A90 PolarHBondContact O-N 3.36Å
91	D	94.6	Very high	96.3	Very high	44 Å²	44	52.4 Å²	52.4	24%	0.235	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-95.8	-6.1	174.6	-78.5	-7	0	0	0	113.1	V88 M89 K201 Y202	V88-D91 PolarHBondContact O-N 2.85Å; V88-D91 VanDerWaalsContact O-N 3.08Å; M89-D91 PolarHBondContact O-N 3.29Å; D91-K201 IonicContact OD1-NZ 2.75Å; D91-K201 PolarHBondContact OD1-NZ 3.19Å; D91-K201 VanDerWaalsContact OD2-CD 3.25Å; D91-K201 WeakPolarHBondContact OD2-CD 3.12Å; D91-K201 WeakPolarHBondContact OD2-CE 3.39Å; D91-K201 IonicContact OD2-NZ 3.7Å; D91-K201 PolarHBondContact OD2-NZ 2.77Å; D91-Y202 VanDerWaalsContact CG-OH 3.24Å; D91-Y202 WeakPolarHBondContact OD2-CE2 3.38Å; D91-Y202 PolarHBondContact OD2-OH 3.31Å
92	C	96.5	Very high	96.4	Very high	15 Å²	15	47.5 Å²	47.5	10%	0.101	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	139.8	-174.5	-72.4	0	0	0	0	111.3	V88 M89 L192 W193 C194	V88-C92 PolarHBondContact O-N 2.92Å; V88-C92 PolarHBondContact O-SG 2.82Å; M89-C92 HydrophobicContact CE-CB 4.04Å; M89-C92 WeakPolarHBondContact O-CB 3.44Å; M89-C92 PolarHBondContact O-N 2.92Å; M89-C92 HydrophobicContact SD-CB 3.91Å; C92-L192 HydrophobicContact CB-CB 4.27Å; C92-L192 HydrophobicContact CB-CD1 4.18Å; C92-L192 HydrophobicContact CB-CD2 4.12Å; C92-L192 HydrophobicContact CB-CG 4.41Å; C92-W193 WeakPolarHBondContact CA-O 3.5Å; C92-C194 PolarHBondContact SG-SG 3.37Å
93	Y	96.2	Very high	96.5	Very high	100 Å²	100	44 Å²	44	39%	0.392	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	146.7	166.7	-60.2	-92.3	0	0	0	109.1	L192 W193	Y93-L192 CarbonylContact O-C 3.5Å; Y93-L192 VanDerWaalsContact O-CA 3.26Å; Y93-L192 WeakPolarHBondContact O-CA 3.3Å; Y93-W193 VanDerWaalsContact CB-CE2 3.41Å; Y93-W193 HydrophobicContact CD1-CZ2 4.38Å; Y93-W193 HydrophobicContact CD2-CD2 4.31Å; Y93-W193 HydrophobicContact CD2-CE3 4.17Å; Y93-W193 AromaticContact CD2-CH2 3.73Å; Y93-W193 HydrophobicContact CD2-CH2 3.73Å; Y93-W193 AromaticContact CD2-CZ2 3.9Å; Y93-W193 HydrophobicContact CD2-CZ2 3.9Å; Y93-W193 AromaticContact CD2-CZ3 3.88Å; Y93-W193 HydrophobicContact CD2-CZ3 3.88Å; Y93-W193 HydrophobicContact CE2-CH2 4.17Å; Y93-W193 HydrophobicContact CE2-CZ3 4.3Å; Y93-W193 AromaticContact CG-CE2 3.97Å; Y93-W193 HydrophobicContact CG-CH2 4.02Å; Y93-W193 AromaticContact CG-CZ2 3.72Å; Y93-W193 HydrophobicContact CG-CZ2 3.72Å; Y93-W193 PolarHBondContact N-O 2.8Å; Y93-W193 PolarHBondContact O-N 2.6Å
94	T	96.3	Very high	96.4	Very high	54 Å²	54	46.9 Å²	46.9	33%	0.331	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	150.1	175.2	50.1	0	0	0	0	111.5	L75 L192 W193	L75-T94 HydrophobicContact CD2-CG2 3.65Å; T94-L192 HydrophobicContact CG2-CD2 3.96Å; T94-W193 PolarHBondContact O-NE1 3.09Å
95	V	96.3	Very high	96.3	Very high	22 Å²	22	45.8 Å²	45.8	13%	0.133	27%	0.271	C	S	.	.			trans	-90.7	112.5	171.9	176.2	0	0	0	0	109.5	H71 S97 F191	H71-V95 PolarHBondContact NE2-O 2.79Å; V95-S97 VanDerWaalsContact C-N 3.32Å; V95-S97 PolarHBondContact O-N 3.28Å; V95-F191 PolarHBondContact N-O 3.28Å
96	D	93.4	Very high	96.3	Very high	122 Å²	122	41.5 Å²	41.5	65%	0.652	24%	0.24	S	C	*	.	S	Bend	trans	-70.2	-25.7	-175.8	-60.6	-35.1	0	0	0	114.4	H71	H71-D96 PolarHBondContact CE1-O 2.87Å
97	S	94.6	Very high	96.3	Very high	64 Å²	64	43.3 Å²	43.3	45%	0.448	25%	0.253	S	S	.	.	S	Bend	trans	-130.3	79.8	-178.1	-64	0	0	0	0	110.2	V95 H99	V95-S97 VanDerWaalsContact C-N 3.32Å; V95-S97 PolarHBondContact O-N 3.28Å; S97-H99 PolarHBondContact O-N 3.24Å; S97-H99 PolarHBondContact O-ND1 2.96Å
98	P	97.4	Very high	96.3	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.013	23%	0.229	C	C	.	.			trans	-61.4	133.6	178.6	-22.3	34.2	0	0	0	111.3	C67 H71 M189	C67-P98 HydrophobicContact CB-CB 4.29Å; C67-P98 PolarHBondContact N-O 3.32Å; H71-P98 HydrophobicContact CB-CG 3.87Å; P98-M189 HydrophobicContact CB-CE 4.43Å; P98-M189 HydrophobicContact CB-CG 3.85Å; P98-M189 HydrophobicContact CB-SD 3.6Å
99	H	98.4	Very high	96.1	Very high	60 Å²	60	44 Å²	44	28%	0.278	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	161.7	-178.9	60.5	-83.6	0	0	0	111.4	Y64 I65 S97 M189	Y64-H99 HydrophobicContact CD2-CB 3.38Å; Y64-H99 AromaticContact CD2-CG 3.89Å; Y64-H99 HydrophobicContact CE2-CB 3.94Å; Y64-H99 HydrophobicContact CG-CB 3.91Å; Y64-H99 AromaticContact CG-CD2 3.8Å; Y64-H99 AromaticContact CG-CG 3.98Å; I65-H99 CarbonylContact O-C 3.57Å; I65-H99 WeakPolarHBondContact O-CA 3.33Å; I65-H99 VanDerWaalsContact O-CB 3.26Å; I65-H99 WeakPolarHBondContact O-CB 3.35Å; S97-H99 PolarHBondContact O-N 3.24Å; S97-H99 PolarHBondContact O-ND1 2.96Å; H99-M189 WeakPolarHBondContact O-CA 3.38Å
100	I	98.6	Very high	95.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.9	170.8	-61.2	170.1	0	0	0	108.6	Y64 I65 I132 L134 F187 H188 M189	Y64-I100 CarbonylContact C-O 3.56Å; Y64-I100 WeakPolarHBondContact CA-O 3.17Å; Y64-I100 VanDerWaalsContact CB-O 3.26Å; Y64-I100 WeakPolarHBondContact CB-O 3.35Å; I65-I100 HydrophobicContact CB-CB 4.29Å; I65-I100 PolarHBondContact N-O 2.76Å; I65-I100 PolarHBondContact O-N 3.2Å; I100-I132 HydrophobicContact CD1-CD1 3.25Å; I100-L134 HydrophobicContact CD1-CD2 4.17Å; I100-F187 HydrophobicContact CG2-CB 3.9Å; I100-F187 HydrophobicContact CG2-CD1 4Å; I100-F187 HydrophobicContact CG2-CG 4.41Å; I100-H188 WeakPolarHBondContact CA-O 3.32Å; I100-M189 HydrophobicContact CG1-CB 3.95Å
101	S	98.4	Very high	95.8	Very high	29 Å²	29	50 Å²	50	20%	0.203	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	138.5	-177.7	-69.5	0	0	0	0	112.5	Y181	S101-Y181 WeakPolarHBondContact CB-OH 3.38Å; S101-Y181 PolarHBondContact O-OH 3.49Å
102	L	98.5	Very high	95.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-114.7	3.6	172.2	-61.3	177.9	0	0	0	112.1	V63 I65 L165 L166 V169 F187 I232	V63-L102 HydrophobicContact CG1-CB 4.32Å; V63-L102 HydrophobicContact CG1-CD1 4.46Å; V63-L102 PolarHBondContact O-N 3.08Å; I65-L102 HydrophobicContact CD1-CD1 4.33Å; I65-L102 HydrophobicContact CD1-CD2 4.14Å; I65-L102 HydrophobicContact CD1-CG 4.45Å; I65-L102 HydrophobicContact CG1-CD1 3.88Å; I65-L102 HydrophobicContact CG1-CD2 4.45Å; I65-L102 HydrophobicContact CG1-CG 4.22Å; L102-L165 HydrophobicContact CD1-CD2 3.78Å; L102-L165 HydrophobicContact CD1-CG 4.13Å; L102-L165 HydrophobicContact CD2-CD2 4.49Å; L102-L166 WeakPolarHBondContact O-CD1 3.43Å; L102-V169 HydrophobicContact CB-CG1 4.32Å; L102-V169 HydrophobicContact CD1-CG2 4.26Å; L102-F187 HydrophobicContact CD2-CD1 4.37Å; L102-F187 HydrophobicContact CD2-CE1 3.88Å; L102-I232 HydrophobicContact CD1-CB 4.35Å; L102-I232 HydrophobicContact CD1-CG2 3.69Å
103	S	98.2	Very high	95.8	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.028	25%	0.254	C	S	.	.	S	Bend	trans	-156.4	159.7	177.5	58.3	0	0	0	0	110.1	V63 Y181	V63-S103 PolarHBondContact N-OG 2.84Å; V63-S103 PolarHBondContact O-N 3.2Å; V63-S103 PolarHBondContact O-OG 3.41Å; S103-Y181 VanDerWaalsContact CA-CD2 3.41Å; S103-Y181 WeakPolarHBondContact O-CE2 3.14Å
104	K	96	Very high	95.8	Very high	60 Å²	60	51.3 Å²	51.3	26%	0.261	26%	0.262	S	S	.	.			trans	-73.6	159.7	161.9	-63.6	-169.9	171.6	-156.2	0	108.3	W106 E143 P179 Y181 Y182	K104-W106 VanDerWaalsContact O-CE3 3.24Å; K104-E143 IonicContact NZ-OE1 2.86Å; K104-E143 PolarHBondContact NZ-OE1 3.08Å; K104-E143 IonicContact NZ-OE2 3.42Å; K104-E143 PolarHBondContact NZ-OE2 3.17Å; K104-P179 HydrophobicContact CB-CG 4.12Å; K104-P179 HydrophobicContact CD-CG 4.33Å; K104-Y181 HydrophobicContact CG-CD2 4.14Å; K104-Y181 HydrophobicContact CG-CE2 4.43Å; K104-Y182 VanDerWaalsContact CE-CE1 3.49Å
105	T	95.1	Very high	95.9	Very high	78 Å²	78	53.3 Å²	53.3	48%	0.479	27%	0.27	S	S	.	.			trans	-73.6	131.5	171.2	-56.8	0	0	0	0	110.1	F52 A60 T61	F52-T105 HydrophobicContact CE1-CG2 4.24Å; F52-T105 HydrophobicContact CZ-CG2 4.31Å; A60-T105 HydrophobicContact CB-CG2 3.96Å; T61-T105 CarbonylContact O-C 3.59Å; T61-T105 VanDerWaalsContact O-CA 3.28Å; T61-T105 WeakPolarHBondContact O-CA 3.47Å
106	W	95.3	Very high	96	Very high	5 Å²	5	52.2 Å²	52.2	2%	0.019	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.9	177.5	82.1	102.6	0	0	0	112.3	T61 V63 K104 L116 V173 G178	T61-W106 HydrophobicContact CG2-CH2 3.82Å; T61-W106 HydrophobicContact CG2-CZ2 3.95Å; T61-W106 HydrophobicContact CG2-CZ3 4.16Å; T61-W106 PolarHBondContact N-O 3.08Å; T61-W106 PolarHBondContact O-N 3.25Å; V63-W106 HydrophobicContact CG2-CH2 3.99Å; V63-W106 HydrophobicContact CG2-CZ3 4.27Å; K104-W106 VanDerWaalsContact O-CE3 3.24Å; W106-L116 HydrophobicContact CH2-CD2 4Å; W106-L116 HydrophobicContact CZ2-CD1 4.28Å; W106-L116 HydrophobicContact CZ2-CD2 3.66Å; W106-V173 HydrophobicContact CD2-CG1 4.18Å; W106-V173 HydrophobicContact CE3-CG1 4.09Å; W106-V173 HydrophobicContact CH2-CB 4.25Å; W106-V173 HydrophobicContact CH2-CG1 3.95Å; W106-V173 HydrophobicContact CH2-CG2 3.72Å; W106-V173 HydrophobicContact CZ2-CB 4.42Å; W106-V173 HydrophobicContact CZ2-CG1 4.03Å; W106-V173 HydrophobicContact CZ2-CG2 4.33Å; W106-V173 HydrophobicContact CZ3-CG1 3.97Å; W106-V173 HydrophobicContact CZ3-CG2 4.07Å; W106-G178 VanDerWaalsContact CD1-CA 3.46Å
107	P	95.1	Very high	96.2	Very high	60 Å²	60	46.6 Å²	46.6	39%	0.39	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	136.1	174.7	28.9	-32.5	0	0	0	111.9	F52 S58 W59	F52-P107 HydrophobicContact CD2-CB 4.16Å; F52-P107 HydrophobicContact CD2-CG 4.48Å; F52-P107 HydrophobicContact CE2-CB 3.89Å; F52-P107 HydrophobicContact CZ-CB 4.3Å; S58-P107 WeakPolarHBondContact OG-CB 3.34Å; W59-P107 WeakPolarHBondContact O-CA 3.29Å
108	I	94.4	Very high	96.4	Very high	2 Å²	2	45 Å²	45	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	144.8	169.8	-159.1	170.3	0	0	0	110.9	S58 W59 T61 W112 I113 L116 F176	S58-I108 WeakPolarHBondContact CA-O 3.41Å; W59-I108 PolarHBondContact N-O 3.04Å; W59-I108 PolarHBondContact O-N 2.77Å; T61-I108 HydrophobicContact CG2-CG2 4.37Å; T61-I108 WeakPolarHBondContact OG1-CG2 3.28Å; I108-W112 HydrophobicContact CD1-CB 3.92Å; I108-W112 HydrophobicContact CG1-CB 3.84Å; I108-W112 HydrophobicContact CG1-CE3 4.19Å; I108-I113 HydrophobicContact CG2-CD1 4.34Å; I108-I113 HydrophobicContact CG2-CG1 3.64Å; I108-L116 HydrophobicContact CD1-CB 3.92Å; I108-L116 HydrophobicContact CD1-CD2 3.67Å; I108-L116 HydrophobicContact CD1-CG 4.37Å; I108-F176 HydrophobicContact CD1-CB 3.89Å; I108-F176 HydrophobicContact CD1-CD1 4.04Å; I108-F176 HydrophobicContact CD1-CG 4.05Å
109	Y	93.2	Very high	96.4	Very high	91 Å²	91	48.3 Å²	48.3	36%	0.357	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	148.5	174.3	-65.2	-64.3	0	0	0	112.5	G57 H111 W112	G57-Y109 CarbonylContact O-C 3.57Å; G57-Y109 VanDerWaalsContact O-CA 3.23Å; G57-Y109 WeakPolarHBondContact O-CA 3.13Å; G57-Y109 WeakPolarHBondContact O-CD1 3.46Å; Y109-H111 VanDerWaalsContact CB-CE1 3.46Å; Y109-H111 WeakPolarHBondContact CB-CE1 3.46Å; Y109-H111 PolarHBondContact O-N 2.85Å; Y109-H111 VanDerWaalsContact O-N 3.1Å; Y109-W112 HydrophobicContact CD2-CD2 4.41Å; Y109-W112 HydrophobicContact CD2-CE3 4.09Å; Y109-W112 AromaticContact CD2-CH2 3.92Å; Y109-W112 HydrophobicContact CD2-CH2 3.92Å; Y109-W112 HydrophobicContact CD2-CZ2 4.24Å; Y109-W112 AromaticContact CD2-CZ3 3.85Å; Y109-W112 HydrophobicContact CD2-CZ3 3.85Å; Y109-W112 HydrophobicContact CE2-CH2 4.3Å; Y109-W112 HydrophobicContact CE2-CZ3 4.4Å; Y109-W112 PolarHBondContact O-N 3.47Å
110	F	91.9	Very high	96.4	Very high	113 Å²	113	45.5 Å²	45.5	50%	0.496	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-45.4	-51.4	-175.8	-169.9	-124.2	0	0	0	112.4	G57 W59 W112 I113	G57-F110 PolarHBondContact O-N 2.98Å; W59-F110 HydrophobicContact CE3-CB 4.1Å; W59-F110 HydrophobicContact CE3-CD2 4.25Å; W59-F110 HydrophobicContact CH2-CB 3.45Å; W59-F110 VanDerWaalsContact CH2-CB 3.45Å; W59-F110 AromaticContact CH2-CD2 3.36Å; W59-F110 HydrophobicContact CH2-CD2 3.36Å; W59-F110 HydrophobicContact CH2-CE2 4.37Å; W59-F110 AromaticContact CH2-CG 3.64Å; W59-F110 HydrophobicContact CH2-CG 3.64Å; W59-F110 AromaticContact CZ2-CD2 3.94Å; W59-F110 HydrophobicContact CZ2-CD2 3.94Å; W59-F110 HydrophobicContact CZ3-CB 3.1Å; W59-F110 AromaticContact CZ3-CD2 3.59Å; W59-F110 HydrophobicContact CZ3-CD2 3.59Å; W59-F110 AromaticContact CZ3-CG 3.74Å; W59-F110 HydrophobicContact CZ3-CG 3.74Å; W59-F110 VanDerWaalsContact CZ3-N 3.27Å; F110-W112 PolarHBondContact O-N 3.25Å; F110-I113 HydrophobicContact CD2-CD1 4.19Å; F110-I113 WeakPolarHBondContact O-CB 3.36Å; F110-I113 WeakPolarHBondContact O-CG1 3.47Å; F110-I113 PolarHBondContact O-N 3.37Å
111	H	93	Very high	96.4	Very high	126 Å²	126	50.7 Å²	50.7	58%	0.583	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-76	-4.9	-168.5	61.1	-84.6	0	0	0	112.3	Y109	Y109-H111 VanDerWaalsContact CB-CE1 3.46Å; Y109-H111 WeakPolarHBondContact CB-CE1 3.46Å; Y109-H111 PolarHBondContact O-N 2.85Å; Y109-H111 VanDerWaalsContact O-N 3.1Å
112	W	95.7	Very high	96.3	Very high	61 Å²	61	53.6 Å²	53.6	23%	0.231	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-100	-14.9	174.4	-68.3	-4.1	0	0	0	113.3	I108 Y109 F110 E114 N115 L116 F176 R177	I108-W112 HydrophobicContact CD1-CB 3.92Å; I108-W112 HydrophobicContact CG1-CB 3.84Å; I108-W112 HydrophobicContact CG1-CE3 4.19Å; Y109-W112 HydrophobicContact CD2-CD2 4.41Å; Y109-W112 HydrophobicContact CD2-CE3 4.09Å; Y109-W112 AromaticContact CD2-CH2 3.92Å; Y109-W112 HydrophobicContact CD2-CH2 3.92Å; Y109-W112 HydrophobicContact CD2-CZ2 4.24Å; Y109-W112 AromaticContact CD2-CZ3 3.85Å; Y109-W112 HydrophobicContact CD2-CZ3 3.85Å; Y109-W112 HydrophobicContact CE2-CH2 4.3Å; Y109-W112 HydrophobicContact CE2-CZ3 4.4Å; Y109-W112 PolarHBondContact O-N 3.47Å; F110-W112 PolarHBondContact O-N 3.25Å; W112-E114 PolarHBondContact O-N 3.45Å; W112-N115 PolarHBondContact O-N 2.94Å; W112-L116 PolarHBondContact O-N 2.94Å; W112-F176 HydrophobicContact CB-CD1 3.8Å; W112-F176 HydrophobicContact CB-CE1 3.95Å; W112-F176 HydrophobicContact CD2-CD1 4.26Å; W112-F176 HydrophobicContact CE3-CD1 4.15Å; W112-F176 HydrophobicContact CG-CD1 4.14Å; W112-F176 HydrophobicContact CG-CE1 4.33Å; W112-R177 HydrophobicContact CZ3-CG 4.45Å
113	I	96.2	Very high	96.3	Very high	7 Å²	7	54.8 Å²	54.8	4%	0.036	28%	0.282	C	S	.	.	H	α-helix	trans	-58	-49.7	-173.7	-64.5	170.2	0	0	0	111.3	W59 I108 F110 N115 L116 V117 S236 F241	W59-I113 HydrophobicContact CD2-CD1 4.46Å; W59-I113 HydrophobicContact CE3-CD1 4.13Å; I108-I113 HydrophobicContact CG2-CD1 4.34Å; I108-I113 HydrophobicContact CG2-CG1 3.64Å; F110-I113 HydrophobicContact CD2-CD1 4.19Å; F110-I113 WeakPolarHBondContact O-CB 3.36Å; F110-I113 WeakPolarHBondContact O-CG1 3.47Å; F110-I113 PolarHBondContact O-N 3.37Å; I113-N115 VanDerWaalsContact C-N 3.31Å; I113-N115 PolarHBondContact O-N 3.03Å; I113-L116 WeakPolarHBondContact O-CB 3.38Å; I113-L116 PolarHBondContact O-N 3.11Å; I113-V117 HydrophobicContact CG2-CG2 4.44Å; I113-V117 WeakPolarHBondContact O-CG2 3.4Å; I113-V117 PolarHBondContact O-N 3.31Å; I113-S236 WeakPolarHBondContact CD1-OG 3.49Å; I113-F241 HydrophobicContact CG2-CD2 4.38Å; I113-F241 HydrophobicContact CG2-CE2 3.46Å; I113-F241 VanDerWaalsContact CG2-CE2 3.46Å; I113-F241 HydrophobicContact CG2-CZ 3.54Å
114	E	96.9	Very high	96.2	Very high	117 Å²	117	54.6 Å²	54.6	55%	0.547	28%	0.281	S	S	.	.	H	α-helix	trans	-63.9	-36.6	-179.2	-64.7	-59.6	152.7	0	0	112.3	W112 V117 G118	W112-E114 PolarHBondContact O-N 3.45Å; E114-V117 PolarHBondContact O-N 3.44Å; E114-G118 PolarHBondContact O-N 3.48Å
115	N	98.1	Very high	96.1	Very high	96 Å²	96	58.1 Å²	58.1	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-67.8	-39.6	176.1	-67.6	-23.1	0	0	0	111.4	W112 I113 G118 N119 F176	W112-N115 PolarHBondContact O-N 2.94Å; I113-N115 VanDerWaalsContact C-N 3.31Å; I113-N115 PolarHBondContact O-N 3.03Å; N115-G118 PolarHBondContact O-N 2.97Å; N115-N119 WeakPolarHBondContact O-CB 3.01Å; N115-N119 VanDerWaalsContact O-CG 3.26Å; N115-N119 PolarHBondContact O-N 2.76Å; N115-N119 PolarHBondContact O-OD1 2.79Å; N115-F176 VanDerWaalsContact C-CZ 3.48Å; N115-F176 HydrophobicContact CB-CE1 3.88Å; N115-F176 HydrophobicContact CB-CZ 3.69Å
116	L	98.1	Very high	95.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.3	-49.2	172.7	170.2	67.2	0	0	0	110.8	T61 W106 I108 W112 I113 G118 N119 L120 C172 F176	T61-L116 HydrophobicContact CG2-CD2 3.8Å; W106-L116 HydrophobicContact CH2-CD2 4Å; W106-L116 HydrophobicContact CZ2-CD1 4.28Å; W106-L116 HydrophobicContact CZ2-CD2 3.66Å; I108-L116 HydrophobicContact CD1-CB 3.92Å; I108-L116 HydrophobicContact CD1-CD2 3.67Å; I108-L116 HydrophobicContact CD1-CG 4.37Å; W112-L116 PolarHBondContact O-N 2.94Å; I113-L116 WeakPolarHBondContact O-CB 3.38Å; I113-L116 PolarHBondContact O-N 3.11Å; L116-G118 VanDerWaalsContact C-N 3.32Å; L116-G118 PolarHBondContact O-N 2.8Å; L116-N119 PolarHBondContact O-N 3.38Å; L116-L120 HydrophobicContact CD1-CD1 3.92Å; L116-L120 HydrophobicContact CD1-CG 4.05Å; L116-L120 HydrophobicContact CG-CD1 3.9Å; L116-L120 HydrophobicContact CG-CG 4.44Å; L116-L120 WeakPolarHBondContact O-CB 3.02Å; L116-L120 WeakPolarHBondContact O-CG 3.25Å; L116-L120 PolarHBondContact O-N 3.02Å; L116-C172 HydrophobicContact CD1-CB 4.38Å; L116-F176 VanDerWaalsContact CA-CE2 3.4Å; L116-F176 HydrophobicContact CB-CD1 4.48Å; L116-F176 HydrophobicContact CB-CD2 3.85Å; L116-F176 HydrophobicContact CB-CE1 4.42Å; L116-F176 HydrophobicContact CB-CE2 3.82Å; L116-F176 HydrophobicContact CB-CG 4.21Å; L116-F176 HydrophobicContact CB-CZ 4.12Å; L116-F176 HydrophobicContact CD1-CD2 3.56Å; L116-F176 HydrophobicContact CD1-CE2 4Å; L116-F176 HydrophobicContact CD1-CG 4.32Å; L116-F176 HydrophobicContact CG-CD2 4.29Å; L116-F176 VanDerWaalsContact N-CZ 3.31Å
117	V	98.2	Very high	95.9	Very high	3 Å²	3	60.6 Å²	60.6	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-61.6	-41.7	179.4	172.7	0	0	0	0	110.9	I113 E114 L120 R121 C234 F241 I243	I113-V117 HydrophobicContact CG2-CG2 4.44Å; I113-V117 WeakPolarHBondContact O-CG2 3.4Å; I113-V117 PolarHBondContact O-N 3.31Å; E114-V117 PolarHBondContact O-N 3.44Å; V117-L120 PolarHBondContact O-N 2.8Å; V117-R121 WeakPolarHBondContact O-CB 3.26Å; V117-R121 PolarHBondContact O-N 2.98Å; V117-C234 HydrophobicContact CG2-CB 4.3Å; V117-F241 HydrophobicContact CG1-CB 4.03Å; V117-F241 HydrophobicContact CG1-CD1 4.26Å; V117-F241 HydrophobicContact CG1-CG 4.33Å; V117-F241 HydrophobicContact CG2-CB 3.78Å; V117-F241 HydrophobicContact CG2-CD1 3.91Å; V117-F241 HydrophobicContact CG2-CD2 3.82Å; V117-F241 HydrophobicContact CG2-CE1 4.41Å; V117-F241 HydrophobicContact CG2-CE2 4.35Å; V117-F241 HydrophobicContact CG2-CG 3.58Å; V117-I243 HydrophobicContact CG1-CD1 4.38Å
118	G	98	Very high	95.9	Very high	30 Å²	30	60 Å²	60	31%	0.309	32%	0.317	S	S	.	.	H	α-helix	trans	-62.5	-41.7	174.9	0	0	0	0	0	113.3	E114 N115 L116 R121 S122	E114-G118 PolarHBondContact O-N 3.48Å; N115-G118 PolarHBondContact O-N 2.97Å; L116-G118 VanDerWaalsContact C-N 3.32Å; L116-G118 PolarHBondContact O-N 2.8Å; G118-R121 PolarHBondContact O-N 3.11Å; G118-S122 PolarHBondContact O-N 3.4Å; G118-S122 PolarHBondContact O-OG 2.59Å
119	N	98	Very high	96	Very high	73 Å²	73	65.3 Å²	65.3	39%	0.39	34%	0.341	S	S	.	.	H	α-helix	trans	-65.9	-47.2	176.5	-75.8	3.1	0	0	0	111.4	N115 L116 R121 S122 A123 F176	N115-N119 WeakPolarHBondContact O-CB 3.01Å; N115-N119 VanDerWaalsContact O-CG 3.26Å; N115-N119 PolarHBondContact O-N 2.76Å; N115-N119 PolarHBondContact O-OD1 2.79Å; L116-N119 PolarHBondContact O-N 3.38Å; N119-R121 VanDerWaalsContact C-N 3.34Å; N119-R121 PolarHBondContact O-N 3.44Å; N119-S122 PolarHBondContact O-N 2.87Å; N119-A123 WeakPolarHBondContact O-CB 3.38Å; N119-A123 PolarHBondContact O-N 2.81Å; N119-F176 HydrophobicContact CB-CE2 4.34Å; N119-F176 WeakPolarHBondContact ND2-CE2 3.48Å
120	L	98.3	Very high	96.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-58.4	-46.1	175.9	-74.2	169.3	0	0	0	111.2	V63 L116 V117 S122 A123 V124 V169 C172 C234 I243	V63-L120 HydrophobicContact CG2-CD1 3.85Å; V63-L120 HydrophobicContact CG2-CD2 4.43Å; L116-L120 HydrophobicContact CD1-CD1 3.92Å; L116-L120 HydrophobicContact CD1-CG 4.05Å; L116-L120 HydrophobicContact CG-CD1 3.9Å; L116-L120 HydrophobicContact CG-CG 4.44Å; L116-L120 WeakPolarHBondContact O-CB 3.02Å; L116-L120 WeakPolarHBondContact O-CG 3.25Å; L116-L120 PolarHBondContact O-N 3.02Å; V117-L120 PolarHBondContact O-N 2.8Å; L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 2.84Å; L120-A123 PolarHBondContact O-N 2.9Å; L120-A123 VanDerWaalsContact O-N 3.12Å; L120-V124 WeakPolarHBondContact O-CG2 3.39Å; L120-V124 PolarHBondContact O-N 3Å; L120-V169 HydrophobicContact CD2-CB 4.47Å; L120-V169 HydrophobicContact CD2-CG1 4.06Å; L120-V169 HydrophobicContact CD2-CG2 4.32Å; L120-C172 HydrophobicContact CD2-CB 3.66Å; L120-C172 HydrophobicContact CG-CB 4.07Å; L120-C234 HydrophobicContact CD1-CB 3.84Å; L120-I243 HydrophobicContact CB-CD1 3.45Å; L120-I243 VanDerWaalsContact CB-CD1 3.45Å; L120-I243 HydrophobicContact CD1-CD1 3.81Å; L120-I243 HydrophobicContact CG-CD1 4.28Å
121	R	97.7	Very high	96.5	Very high	110 Å²	110	64 Å²	64	42%	0.415	33%	0.333	S	S	.	.	H	α-helix	trans	-59.7	-38.8	177.7	-162.5	-178.7	-52.1	-74.8	-1.2	112.3	V117 G118 N119 K125 D242 I243	V117-R121 WeakPolarHBondContact O-CB 3.26Å; V117-R121 PolarHBondContact O-N 2.98Å; G118-R121 PolarHBondContact O-N 3.11Å; N119-R121 VanDerWaalsContact C-N 3.34Å; N119-R121 PolarHBondContact O-N 3.44Å; R121-K125 WeakPolarHBondContact O-CB 3.29Å; R121-K125 PolarHBondContact O-N 3.21Å; R121-D242 PolarHBondContact NH1-O 2.75Å; R121-D242 VanDerWaalsContact NH1-O 3.11Å; R121-I243 VanDerWaalsContact CA-CG2 3.49Å; R121-I243 HydrophobicContact CB-CG2 3.93Å; R121-I243 HydrophobicContact CG-CG2 4.12Å
122	S	97.2	Very high	96.7	Very high	89 Å²	89	58.1 Å²	58.1	62%	0.622	31%	0.305	S	S	*	.	H	α-helix	trans	-70.1	-39.4	175.8	-56.9	0	0	0	0	111.9	G118 N119 L120	G118-S122 PolarHBondContact O-N 3.4Å; G118-S122 PolarHBondContact O-OG 2.59Å; N119-S122 PolarHBondContact O-N 2.87Å; L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 2.84Å
123	A	96.8	Very high	96.8	Very high	26 Å²	26	55.4 Å²	55.4	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-72.1	-32.4	-176.2	0	0	0	0	0	113.9	N119 L120 C172	N119-A123 WeakPolarHBondContact O-CB 3.38Å; N119-A123 PolarHBondContact O-N 2.81Å; L120-A123 PolarHBondContact O-N 2.9Å; L120-A123 VanDerWaalsContact O-N 3.12Å; A123-C172 VanDerWaalsContact CB-SG 3.59Å
124	V	96.5	Very high	96.9	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-95.4	-6.3	179.1	-52.9	0	0	0	0	113.9	L120 S126 F127 L165 V169 I232 I243	L120-V124 WeakPolarHBondContact O-CG2 3.39Å; L120-V124 PolarHBondContact O-N 3Å; V124-S126 PolarHBondContact O-N 2.87Å; V124-S126 VanDerWaalsContact O-N 3.12Å; V124-F127 HydrophobicContact CB-CD2 4.46Å; V124-F127 WeakPolarHBondContact O-CB 3.11Å; V124-F127 PolarHBondContact O-N 2.99Å; V124-L165 HydrophobicContact CB-CD1 4.37Å; V124-L165 HydrophobicContact CG1-CD1 3.76Å; V124-V169 HydrophobicContact CG1-CG2 4.45Å; V124-I232 HydrophobicContact CG1-CD1 3.73Å; V124-I243 HydrophobicContact CG2-CG2 3.59Å
125	K	93.9	Very high	97	Very high	134 Å²	134	52 Å²	52	58%	0.583	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-30	-176.9	-171.4	175.4	178.9	-177.3	0	113.7	R121 F127 L246	R121-K125 WeakPolarHBondContact O-CB 3.29Å; R121-K125 PolarHBondContact O-N 3.21Å; K125-F127 VanDerWaalsContact C-N 3.31Å; K125-L246 HydrophobicContact CG-CD1 4.03Å; K125-L246 HydrophobicContact CG-CG 4.42Å; K125-L246 WeakPolarHBondContact O-CD1 3.26Å; K125-L246 VanDerWaalsContact O-CG 3.26Å; K125-L246 WeakPolarHBondContact O-CG 3.23Å
126	S	91.4	Very high	96.9	Very high	105 Å²	105	48.1 Å²	48.1	73%	0.734	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-10.8	-178.4	57.8	0	0	0	0	114.2	V124	V124-S126 PolarHBondContact O-N 2.87Å; V124-S126 VanDerWaalsContact O-N 3.12Å
127	F	95.8	Very high	96.9	Very high	30 Å²	30	48.8 Å²	48.8	13%	0.132	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-79.1	139.2	178.8	-71.7	-104.9	0	0	0	108.9	V124 K125 S164 L165 S168 I245 L246	V124-F127 HydrophobicContact CB-CD2 4.46Å; V124-F127 WeakPolarHBondContact O-CB 3.11Å; V124-F127 PolarHBondContact O-N 2.99Å; K125-F127 VanDerWaalsContact C-N 3.31Å; F127-S164 WeakPolarHBondContact CZ-O 3.15Å; F127-L165 HydrophobicContact CD1-CD1 4.37Å; F127-L165 HydrophobicContact CD2-CD1 4.46Å; F127-L165 HydrophobicContact CE1-CB 4.11Å; F127-L165 HydrophobicContact CE1-CD1 4.32Å; F127-L165 HydrophobicContact CE2-CD1 4.41Å; F127-L165 HydrophobicContact CG-CD1 4.46Å; F127-L165 HydrophobicContact CZ-CB 4.5Å; F127-L165 HydrophobicContact CZ-CD1 4.34Å; F127-S168 VanDerWaalsContact CE2-OG 3.29Å; F127-S168 WeakPolarHBondContact CE2-OG 3.17Å; F127-I245 HydrophobicContact CB-CG2 3.14Å; F127-I245 HydrophobicContact CG-CG2 4.29Å; F127-I245 WeakPolarHBondContact O-CG2 3.4Å; F127-L246 PolarHBondContact O-N 2.78Å
128	G	94.8	Very high	96.8	Very high	46 Å²	46	52 Å²	52	47%	0.474	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-82.6	158.8	161.8	0	0	0	0	0	110	F130 L246	G128-F130 WeakPolarHBondContact O-CD1 3.41Å; G128-L246 CarbonylContact C-O 3.58Å; G128-L246 VanDerWaalsContact C-O 3.25Å; G128-L246 WeakPolarHBondContact CA-O 3.16Å
129	K	96.5	Very high	96.8	Very high	114 Å²	114	51 Å²	51	50%	0.496	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-51.1	139.8	163.9	-62.4	177.1	-179.6	-175.5	0	110.9	T230 L246	K129-T230 HydrophobicContact CD-CG2 4.04Å; K129-T230 HydrophobicContact CG-CG2 4.38Å; K129-L246 PolarHBondContact N-O 2.99Å
130	F	97.3	Very high	96.7	Very high	28 Å²	28	49.3 Å²	49.3	12%	0.123	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	158.9	-179	62.6	-88.6	0	0	0	111.7	G128 I132 V161 L162 L165 V229 I245	G128-F130 WeakPolarHBondContact O-CD1 3.41Å; F130-I132 HydrophobicContact CD2-CG2 3.95Å; F130-I132 HydrophobicContact CE2-CG2 3.67Å; F130-V161 HydrophobicContact CD2-CB 4.21Å; F130-V161 HydrophobicContact CD2-CG2 3.81Å; F130-V161 HydrophobicContact CE2-CB 4.29Å; F130-V161 HydrophobicContact CE2-CG2 3.88Å; F130-L162 HydrophobicContact CE2-CD2 4.37Å; F130-L165 HydrophobicContact CE1-CD2 4.36Å; F130-L165 HydrophobicContact CZ-CD2 3.93Å; F130-V229 HydrophobicContact CD1-CB 4.39Å; F130-V229 HydrophobicContact CD2-CB 4.22Å; F130-V229 HydrophobicContact CD2-CG2 4.14Å; F130-V229 HydrophobicContact CE1-CB 4.05Å; F130-V229 HydrophobicContact CE1-CG1 4.04Å; F130-V229 HydrophobicContact CE2-CB 3.88Å; F130-V229 HydrophobicContact CE2-CG1 4.32Å; F130-V229 HydrophobicContact CE2-CG2 3.67Å; F130-V229 HydrophobicContact CG-CB 4.48Å; F130-V229 HydrophobicContact CZ-CB 3.78Å; F130-V229 HydrophobicContact CZ-CG1 3.77Å; F130-V229 HydrophobicContact CZ-CG2 3.99Å; F130-V229 PolarHBondContact N-O 3.03Å; F130-V229 PolarHBondContact O-N 3.39Å; F130-I245 HydrophobicContact CE1-CD1 4.13Å
131	W	97.6	Very high	96.6	Very high	150 Å²	150	51.4 Å²	51.4	57%	0.568	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	140.1	178	-70.9	86.2	0	0	0	110.9	F226 H227 E228	W131-F226 HydrophobicContact CE3-CB 3.77Å; W131-F226 HydrophobicContact CZ3-CB 3.95Å; W131-H227 VanDerWaalsContact CE3-C 3.4Å; W131-E228 HydrophobicContact CD2-CB 3.94Å; W131-E228 HydrophobicContact CD2-CG 4.29Å; W131-E228 HydrophobicContact CE3-CB 3.89Å; W131-E228 VanDerWaalsContact CE3-N 3.3Å; W131-E228 HydrophobicContact CH2-CB 3.7Å; W131-E228 HydrophobicContact CZ2-CB 3.7Å; W131-E228 HydrophobicContact CZ2-CG 4.04Å; W131-E228 HydrophobicContact CZ3-CB 3.79Å
132	I	98.4	Very high	96.4	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	155.6	163.9	64.1	170.8	0	0	0	109.5	I100 F130 S158 V161 L162 F226 H227 V229	I100-I132 HydrophobicContact CD1-CD1 3.25Å; F130-I132 HydrophobicContact CD2-CG2 3.95Å; F130-I132 HydrophobicContact CE2-CG2 3.67Å; I132-S158 WeakPolarHBondContact CA-OG 3.16Å; I132-V161 HydrophobicContact CG2-CG2 4.25Å; I132-L162 HydrophobicContact CG2-CD1 4.16Å; I132-L162 HydrophobicContact CG2-CD2 4.06Å; I132-L162 HydrophobicContact CG2-CG 3.98Å; I132-F226 CarbonylContact O-C 3.55Å; I132-F226 VanDerWaalsContact O-CA 3.31Å; I132-F226 WeakPolarHBondContact O-CA 3.34Å; I132-H227 HydrophobicContact CD1-CB 4.44Å; I132-H227 HydrophobicContact CG1-CB 3.95Å; I132-H227 WeakPolarHBondContact CG1-O 3.37Å; I132-H227 PolarHBondContact N-O 2.82Å; I132-H227 PolarHBondContact O-N 3Å; I132-V229 HydrophobicContact CD1-CG2 4.12Å; I132-V229 HydrophobicContact CG1-CG2 4Å; I132-V229 HydrophobicContact CG2-CG2 3.91Å
133	A	98.2	Very high	96	Very high	4 Å²	4	49.3 Å²	49.3	3%	0.033	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.3	173.4	0	0	0	0	0	109.9	S155 S158 K224 I225 F226	A133-S155 WeakPolarHBondContact O-CB 3.09Å; A133-S155 PolarHBondContact O-N 3.29Å; A133-S155 PolarHBondContact O-OG 2.83Å; A133-S158 PolarHBondContact N-OG 3.07Å; A133-S158 PolarHBondContact O-OG 3.03Å; A133-K224 HydrophobicContact CB-CB 4.29Å; A133-K224 HydrophobicContact CB-CD 3.94Å; A133-I225 CarbonylContact C-O 3.59Å; A133-I225 WeakPolarHBondContact CA-O 3.43Å; A133-F226 HydrophobicContact CB-CD1 3.85Å; A133-F226 HydrophobicContact CB-CE1 3.72Å; A133-F226 HydrophobicContact CB-CZ 4.44Å
134	L	98.4	Very high	95.7	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134	167.6	-56.3	170.5	0	0	0	108.3	L70 I100 L152 V153 A154 M189 F219 K224 I225	L70-L134 HydrophobicContact CD1-CD1 3.72Å; I100-L134 HydrophobicContact CD1-CD2 4.17Å; L134-L152 HydrophobicContact CB-CB 4.09Å; L134-L152 HydrophobicContact CB-CD1 4.47Å; L134-L152 HydrophobicContact CD1-CB 3.91Å; L134-L152 HydrophobicContact CD1-CD1 3.98Å; L134-L152 HydrophobicContact CD2-CB 4.41Å; L134-L152 HydrophobicContact CG-CB 4.36Å; L134-V153 CarbonylContact C-O 3.47Å; L134-V153 VanDerWaalsContact CA-O 3.24Å; L134-V153 WeakPolarHBondContact CA-O 3.47Å; L134-A154 HydrophobicContact CD2-CB 4.27Å; L134-M189 HydrophobicContact CD1-CB 4.42Å; L134-M189 HydrophobicContact CD1-CE 4.28Å; L134-M189 HydrophobicContact CD1-SD 4.43Å; L134-F219 VanDerWaalsContact O-CE1 3.31Å; L134-F219 WeakPolarHBondContact O-CE1 3.36Å; L134-K224 WeakPolarHBondContact O-CA 3.43Å; L134-I225 HydrophobicContact CB-CB 4.42Å; L134-I225 PolarHBondContact N-O 3.47Å; L134-I225 PolarHBondContact O-N 2.93Å
135	D	97	Very high	95.5	Very high	53 Å²	53	56.4 Å²	56.4	28%	0.283	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	3.7	-168.3	67.5	-3.7	0	0	0	116.3	V153 S155 K224	D135-V153 PolarHBondContact N-O 3.45Å; D135-S155 WeakPolarHBondContact OD2-CA 3.5Å; D135-S155 WeakPolarHBondContact OD2-CB 3.41Å; D135-K224 HydrophobicContact CB-CD 4.39Å; D135-K224 HydrophobicContact CB-CG 3.86Å
136	G	96.2	Very high	95.4	Very high	15 Å²	15	52.1 Å²	52.1	16%	0.155	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	153.9	177.4	0	0	0	0	0	113.3	L152 V153	G136-L152 CarbonylContact O-C 3.47Å; G136-L152 VanDerWaalsContact O-CA 3.32Å; G136-L152 WeakPolarHBondContact O-CA 3.42Å; G136-V153 PolarHBondContact O-N 2.9Å
137	V	98	Very high	95.6	Very high	14 Å²	14	48.4 Å²	48.4	9%	0.085	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.1	169.4	178.1	0	0	0	0	109.3	T151 L152 F191 L214 Q215 I218 F219	V137-T151 WeakPolarHBondContact CA-O 3.26Å; V137-L152 HydrophobicContact CG2-CD2 3.84Å; V137-F191 HydrophobicContact CG1-CZ 4.18Å; V137-L214 HydrophobicContact CG1-CB 4.21Å; V137-L214 HydrophobicContact CG1-CD1 4.34Å; V137-L214 HydrophobicContact CG2-CB 4.37Å; V137-Q215 HydrophobicContact CB-CB 4.31Å; V137-Q215 HydrophobicContact CG2-CB 3.88Å; V137-I218 HydrophobicContact CG2-CD1 4.39Å; V137-F219 HydrophobicContact CG2-CE2 4.15Å
138	E	97.5	Very high	95.6	Very high	69 Å²	69	47 Å²	47	32%	0.322	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.7	172.5	-75.1	-165	-152.9	0	0	112.8	L140 T151 V153 K186	E138-L140 HydrophobicContact CB-CD2 4.46Å; E138-T151 PolarHBondContact N-O 3.42Å; E138-T151 PolarHBondContact O-N 2.76Å; E138-T151 PolarHBondContact O-OG1 3.19Å; E138-V153 HydrophobicContact CB-CG2 3.69Å; E138-V153 HydrophobicContact CG-CG2 3.66Å; E138-K186 IonicContact OE1-NZ 2.6Å; E138-K186 PolarHBondContact OE1-NZ 2.85Å; E138-K186 IonicContact OE2-NZ 3.25Å; E138-K186 PolarHBondContact OE2-NZ 3.35Å
139	V	97.5	Very high	95.8	Very high	11 Å²	11	47.6 Å²	47.6	7%	0.067	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	113.8	171.7	-174.3	0	0	0	0	110	F149 F150 V198 R199	V139-F149 CarbonylContact C-O 3.59Å; V139-F149 WeakPolarHBondContact CA-O 3.22Å; V139-F150 HydrophobicContact CG2-CD1 3.59Å; V139-F150 HydrophobicContact CG2-CE1 3.32Å; V139-F150 HydrophobicContact CG2-CG 4.5Å; V139-F150 HydrophobicContact CG2-CZ 4.08Å; V139-V198 HydrophobicContact CG1-CG2 3.73Å; V139-R199 PolarHBondContact O-NH2 3.16Å
140	L	96.8	Very high	95.9	Very high	37 Å²	37	42.1 Å²	42.1	19%	0.194	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	144.6	176.5	-55.4	-175.7	0	0	0	110.2	E138 S148 F149 T151 K186 H188	E138-L140 HydrophobicContact CB-CD2 4.46Å; L140-S148 CarbonylContact O-C 3.58Å; L140-S148 VanDerWaalsContact O-CA 3.28Å; L140-S148 WeakPolarHBondContact O-CA 3.47Å; L140-F149 PolarHBondContact N-O 3.02Å; L140-F149 PolarHBondContact O-N 2.87Å; L140-T151 HydrophobicContact CB-CG2 4.36Å; L140-T151 HydrophobicContact CD1-CG2 3.89Å; L140-T151 HydrophobicContact CG-CG2 4.02Å; L140-K186 HydrophobicContact CD2-CD 4.24Å; L140-H188 HydrophobicContact CD1-CB 4.31Å; L140-H188 VanDerWaalsContact CD1-CE1 3.46Å; L140-H188 WeakPolarHBondContact CD1-CE1 3.5Å; L140-H188 WeakPolarHBondContact CD1-ND1 3.35Å
141	V	96.1	Very high	95.9	Very high	43 Å²	43	40.8 Å²	40.8	26%	0.261	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.7	174.3	-177.4	0	0	0	0	106.9	R147 N197 R199	V141-R147 WeakPolarHBondContact CA-O 3.34Å; V141-R147 WeakPolarHBondContact CG1-O 3.46Å; V141-N197 HydrophobicContact CG1-CB 3.98Å; V141-R199 HydrophobicContact CG2-CG 4.38Å
142	N	92.8	Very high	96	Very high	36 Å²	36	33.7 Å²	33.7	19%	0.193	17%	0.174	C	C	.	.			trans	-66.4	161.5	178.2	71.6	-34	0	0	0	112	E144 N145 T146 R147 F149	N142-E144 PolarHBondContact ND2-OE2 2.77Å; N142-E144 PolarHBondContact O-N 3.41Å; N142-N145 PolarHBondContact O-N 2.84Å; N142-N145 PolarHBondContact OD1-N 3.25Å; N142-T146 PolarHBondContact ND2-OG1 2.78Å; N142-T146 PolarHBondContact OD1-N 3.25Å; N142-R147 PolarHBondContact N-O 2.92Å; N142-R147 PolarHBondContact OD1-N 3.01Å; N142-R147 PolarHBondContact OD1-O 2.89Å; N142-F149 HydrophobicContact CB-CE2 4.41Å
143	E	89.3	Confident	96	Very high	119 Å²	119	34.4 Å²	34.4	56%	0.556	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-38.3	-178.2	-63.8	178.7	166	0	0	111.4	K104 N145 Y182	K104-E143 IonicContact NZ-OE1 2.86Å; K104-E143 PolarHBondContact NZ-OE1 3.08Å; K104-E143 IonicContact NZ-OE2 3.42Å; K104-E143 PolarHBondContact NZ-OE2 3.17Å; E143-N145 VanDerWaalsContact C-N 3.27Å; E143-N145 PolarHBondContact O-N 2.8Å; E143-N145 PolarHBondContact O-ND2 3.49Å; E143-Y182 WeakPolarHBondContact OE1-CE1 3.44Å
144	E	89.6	Confident	96	Very high	103 Å²	103	34.8 Å²	34.8	48%	0.481	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.7	-179.8	-54.1	80.1	-174.5	0	0	114.4	N142 T146	N142-E144 PolarHBondContact ND2-OE2 2.77Å; N142-E144 PolarHBondContact O-N 3.41Å; E144-T146 HydrophobicContact CB-CG2 3.99Å; E144-T146 PolarHBondContact O-N 3.43Å; E144-T146 VanDerWaalsContact O-N 3.08Å
145	N	92.1	Very high	95.9	Very high	73 Å²	73	34.9 Å²	34.9	39%	0.39	18%	0.182	S	C	.	.	S	Bend	trans	56.9	19.1	-176	-70.7	-95.5	0	0	0	114.9	N142 E143 N197	N142-N145 PolarHBondContact O-N 2.84Å; N142-N145 PolarHBondContact OD1-N 3.25Å; E143-N145 VanDerWaalsContact C-N 3.27Å; E143-N145 PolarHBondContact O-N 2.8Å; E143-N145 PolarHBondContact O-ND2 3.49Å; N145-N197 HydrophobicContact CB-CB 4.41Å; N145-N197 PolarHBondContact O-N 2.81Å; N145-N197 PolarHBondContact OD1-ND2 3.08Å
146	T	92.1	Very high	95.9	Very high	44 Å²	44	37.5 Å²	37.5	27%	0.27	19%	0.193	S	C	.	.	S	Bend	trans	-89	-16.1	179.8	58.2	0	0	0	0	112.4	N142 E144 G196	N142-T146 PolarHBondContact ND2-OG1 2.78Å; N142-T146 PolarHBondContact OD1-N 3.25Å; E144-T146 HydrophobicContact CB-CG2 3.99Å; E144-T146 PolarHBondContact O-N 3.43Å; E144-T146 VanDerWaalsContact O-N 3.08Å; T146-G196 VanDerWaalsContact O-CA 3.3Å; T146-G196 WeakPolarHBondContact O-CA 3.49Å; T146-G196 PolarHBondContact O-N 3.44Å
147	R	94.7	Very high	95.9	Very high	26 Å²	26	42.5 Å²	42.5	10%	0.098	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	147	-177	-67.5	-62.4	-178	-77.1	4.2	112.1	D46 F47 V141 N142 F149 C194 N195 G196	D46-R147 PolarHBondContact O-NH2 2.79Å; F47-R147 PolarHBondContact O-NH2 3Å; V141-R147 WeakPolarHBondContact CA-O 3.34Å; V141-R147 WeakPolarHBondContact CG1-O 3.46Å; N142-R147 PolarHBondContact N-O 2.92Å; N142-R147 PolarHBondContact OD1-N 3.01Å; N142-R147 PolarHBondContact OD1-O 2.89Å; R147-F149 HydrophobicContact CB-CE2 3.65Å; R147-F149 HydrophobicContact CB-CZ 3.83Å; R147-F149 HydrophobicContact CG-CZ 4.44Å; R147-C194 WeakPolarHBondContact CA-O 3.29Å; R147-C194 VanDerWaalsContact CD-O 3.26Å; R147-C194 WeakPolarHBondContact CD-O 3.26Å; R147-N195 PolarHBondContact NE-OD1 2.77Å; R147-N195 PolarHBondContact NH1-OD1 3.19Å; R147-N195 PolarHBondContact NH2-OD1 3.21Å; R147-G196 CarbonylContact C-O 3.59Å; R147-G196 VanDerWaalsContact C-O 3.24Å; R147-G196 WeakPolarHBondContact CA-O 3.43Å
148	S	97.5	Very high	95.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	148	169.2	-52.1	0	0	0	0	109.6	L140 W193 C194 G196 N197 V198	L140-S148 CarbonylContact O-C 3.58Å; L140-S148 VanDerWaalsContact O-CA 3.28Å; L140-S148 WeakPolarHBondContact O-CA 3.47Å; S148-W193 CarbonylContact O-C 3.25Å; S148-W193 WeakPolarHBondContact O-CA 3.43Å; S148-W193 WeakPolarHBondContact O-CB 3.36Å; S148-C194 PolarHBondContact N-O 3.47Å; S148-C194 VanDerWaalsContact N-O 3.07Å; S148-C194 PolarHBondContact O-N 2.92Å; S148-G196 PolarHBondContact N-O 2.81Å; S148-G196 VanDerWaalsContact N-O 3.11Å; S148-G196 PolarHBondContact OG-O 3.05Å; S148-N197 WeakPolarHBondContact OG-CA 3.36Å; S148-V198 PolarHBondContact OG-N 3.36Å
149	F	98	Very high	95.9	Very high	59 Å²	59	42 Å²	42	26%	0.259	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.2	-177.2	-60.7	-87.6	0	0	0	109.3	V139 L140 N142 R147 T151 L192 W193	V139-F149 CarbonylContact C-O 3.59Å; V139-F149 WeakPolarHBondContact CA-O 3.22Å; L140-F149 PolarHBondContact N-O 3.02Å; L140-F149 PolarHBondContact O-N 2.87Å; N142-F149 HydrophobicContact CB-CE2 4.41Å; R147-F149 HydrophobicContact CB-CE2 3.65Å; R147-F149 HydrophobicContact CB-CZ 3.83Å; R147-F149 HydrophobicContact CG-CZ 4.44Å; F149-T151 HydrophobicContact CB-CG2 3.75Å; F149-L192 WeakPolarHBondContact CA-O 3.46Å; F149-W193 HydrophobicContact CD1-CB 3.53Å; F149-W193 HydrophobicContact CE1-CB 3.69Å; F149-W193 HydrophobicContact CE1-CG 4.4Å; F149-W193 HydrophobicContact CG-CB 4.4Å
150	F	98.2	Very high	95.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.5	163.4	-62.5	-98.3	0	0	0	107.7	V88 V139 S190 F191 L192 L207 F210 L214	V88-F150 HydrophobicContact CG1-CE2 4.14Å; V88-F150 HydrophobicContact CG1-CZ 3.64Å; V139-F150 HydrophobicContact CG2-CD1 3.59Å; V139-F150 HydrophobicContact CG2-CE1 3.32Å; V139-F150 HydrophobicContact CG2-CG 4.5Å; V139-F150 HydrophobicContact CG2-CZ 4.08Å; F150-S190 WeakPolarHBondContact O-CA 3.33Å; F150-F191 HydrophobicContact CB-CE1 4.26Å; F150-F191 HydrophobicContact CB-CE2 3.91Å; F150-F191 HydrophobicContact CB-CZ 3.73Å; F150-F191 WeakPolarHBondContact O-CD1 3.33Å; F150-F191 PolarHBondContact O-N 2.88Å; F150-L192 HydrophobicContact CB-CB 4.07Å; F150-L192 HydrophobicContact CD2-CB 3.97Å; F150-L192 HydrophobicContact CG-CB 4.37Å; F150-L192 PolarHBondContact N-O 2.81Å; F150-L192 PolarHBondContact O-N 2.88Å; F150-L207 HydrophobicContact CZ-CD2 4.48Å; F150-F210 HydrophobicContact CD1-CD1 4.17Å; F150-F210 HydrophobicContact CD1-CE1 4.09Å; F150-F210 AromaticContact CE1-CD1 3.41Å; F150-F210 HydrophobicContact CE1-CD1 3.41Å; F150-F210 VanDerWaalsContact CE1-CD1 3.41Å; F150-F210 AromaticContact CE1-CE1 3.63Å; F150-F210 HydrophobicContact CE1-CE1 3.63Å; F150-F210 HydrophobicContact CE2-CE1 4.09Å; F150-F210 AromaticContact CZ-CD1 3.65Å; F150-F210 HydrophobicContact CZ-CD1 3.65Å; F150-F210 AromaticContact CZ-CE1 3.65Å; F150-F210 HydrophobicContact CZ-CE1 3.65Å; F150-L214 HydrophobicContact CB-CD1 4.33Å; F150-L214 HydrophobicContact CD1-CD1 3.56Å; F150-L214 HydrophobicContact CE1-CD1 4.19Å; F150-L214 HydrophobicContact CG-CD1 4.1Å
151	T	98.4	Very high	95.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.4	-164	72.7	0	0	0	0	111.2	V137 E138 L140 F149 M189 S190 F191	V137-T151 WeakPolarHBondContact CA-O 3.26Å; E138-T151 PolarHBondContact N-O 3.42Å; E138-T151 PolarHBondContact O-N 2.76Å; E138-T151 PolarHBondContact O-OG1 3.19Å; L140-T151 HydrophobicContact CB-CG2 4.36Å; L140-T151 HydrophobicContact CD1-CG2 3.89Å; L140-T151 HydrophobicContact CG-CG2 4.02Å; F149-T151 HydrophobicContact CB-CG2 3.75Å; T151-M189 CarbonylContact C-O 3.52Å; T151-M189 VanDerWaalsContact CA-O 3.3Å; T151-M189 WeakPolarHBondContact CA-O 3.48Å; T151-S190 WeakPolarHBondContact CG2-OG 3.3Å; T151-F191 VanDerWaalsContact C-CE1 3.45Å
152	L	98.3	Very high	95.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	123.4	163.8	-64.2	-169	0	0	0	109	I74 L134 G136 V137 H188 M189 F191 I218 F219 I225	I74-L152 HydrophobicContact CD1-CD1 3.7Å; L134-L152 HydrophobicContact CB-CB 4.09Å; L134-L152 HydrophobicContact CB-CD1 4.47Å; L134-L152 HydrophobicContact CD1-CB 3.91Å; L134-L152 HydrophobicContact CD1-CD1 3.98Å; L134-L152 HydrophobicContact CD2-CB 4.41Å; L134-L152 HydrophobicContact CG-CB 4.36Å; G136-L152 CarbonylContact O-C 3.47Å; G136-L152 VanDerWaalsContact O-CA 3.32Å; G136-L152 WeakPolarHBondContact O-CA 3.42Å; V137-L152 HydrophobicContact CG2-CD2 3.84Å; L152-H188 CarbonylContact O-C 3.59Å; L152-H188 WeakPolarHBondContact O-CA 3.31Å; L152-M189 HydrophobicContact CB-CE 4.42Å; L152-M189 HydrophobicContact CD1-CE 3.77Å; L152-M189 HydrophobicContact CG-CE 4.2Å; L152-M189 PolarHBondContact N-O 2.99Å; L152-M189 PolarHBondContact O-N 2.81Å; L152-F191 HydrophobicContact CD2-CD1 4.21Å; L152-F191 HydrophobicContact CD2-CE1 3.72Å; L152-F191 HydrophobicContact CG-CD1 3.85Å; L152-F191 HydrophobicContact CG-CE1 3.87Å; L152-I218 HydrophobicContact CD1-CG2 4.08Å; L152-I218 HydrophobicContact CD2-CD1 4.09Å; L152-I218 HydrophobicContact CD2-CG2 4.06Å; L152-F219 HydrophobicContact CD2-CE2 3.82Å; L152-F219 HydrophobicContact CD2-CZ 3.95Å; L152-I225 HydrophobicContact CD1-CD1 4.04Å
153	V	98.2	Very high	96.2	Very high	16 Å²	16	46.1 Å²	46.1	10%	0.097	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	139.4	-176.7	-173.8	0	0	0	0	110	L134 D135 G136 E138 K186	L134-V153 CarbonylContact C-O 3.47Å; L134-V153 VanDerWaalsContact CA-O 3.24Å; L134-V153 WeakPolarHBondContact CA-O 3.47Å; D135-V153 PolarHBondContact N-O 3.45Å; G136-V153 PolarHBondContact O-N 2.9Å; E138-V153 HydrophobicContact CB-CG2 3.69Å; E138-V153 HydrophobicContact CG-CG2 3.66Å; V153-K186 HydrophobicContact CG1-CD 4.25Å; V153-K186 HydrophobicContact CG1-CG 3.89Å; V153-K186 HydrophobicContact CG2-CD 4.47Å
154	A	98.4	Very high	96.5	Very high	13 Å²	13	43.4 Å²	43.4	11%	0.107	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	135.4	172.5	0	0	0	0	0	110.8	L134 L162 F187	L134-A154 HydrophobicContact CD2-CB 4.27Å; A154-L162 HydrophobicContact CB-CD1 3.85Å; A154-F187 HydrophobicContact CB-CB 3.91Å; A154-F187 WeakPolarHBondContact CB-O 3.4Å; A154-F187 PolarHBondContact N-O 3.36Å
155	S	97.8	Very high	96.9	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-56.7	154.4	173.6	57.4	0	0	0	0	112.1	A133 D135 E157 S158 R159	A133-S155 WeakPolarHBondContact O-CB 3.09Å; A133-S155 PolarHBondContact O-N 3.29Å; A133-S155 PolarHBondContact O-OG 2.83Å; D135-S155 WeakPolarHBondContact OD2-CA 3.5Å; D135-S155 WeakPolarHBondContact OD2-CB 3.41Å; S155-E157 WeakPolarHBondContact CB-OE2 3.36Å; S155-E157 PolarHBondContact O-N 3.17Å; S155-S158 WeakPolarHBondContact O-CB 3.47Å; S155-S158 PolarHBondContact O-N 2.7Å; S155-S158 WeakPolarHBondContact OG-CB 3.46Å; S155-S158 PolarHBondContact OG-N 2.83Å; S155-S158 PolarHBondContact OG-OG 3.24Å; S155-R159 PolarHBondContact O-N 2.96Å
156	E	96	Very high	97.2	Very high	109 Å²	109	35.3 Å²	35.3	51%	0.509	18%	0.182	S	C	.	.	H	α-helix	trans	-59.8	-35.2	179.5	-173.3	58.4	-154.6	0	0	112	S158 R159	E156-S158 VanDerWaalsContact C-N 3.33Å; E156-S158 PolarHBondContact O-N 2.84Å; E156-R159 VanDerWaalsContact CD-NE 3.32Å; E156-R159 VanDerWaalsContact O-CB 3.29Å; E156-R159 WeakPolarHBondContact O-CB 3.41Å; E156-R159 PolarHBondContact O-N 2.75Å; E156-R159 IonicContact OE1-CZ 3.98Å; E156-R159 VanDerWaalsContact OE1-CZ 3.25Å; E156-R159 IonicContact OE1-NE 2.87Å; E156-R159 PolarHBondContact OE1-NE 2.94Å; E156-R159 IonicContact OE1-NH2 2.78Å; E156-R159 PolarHBondContact OE1-NH2 2.93Å; E156-R159 IonicContact OE2-NE 2.85Å; E156-R159 PolarHBondContact OE2-NE 3.05Å; E156-R159 VanDerWaalsContact OE2-NE 3.11Å
157	E	96.2	Very high	97.5	Very high	120 Å²	120	38 Å²	38	56%	0.561	20%	0.195	S	C	*	.	H	α-helix	trans	-64.6	-40	175.6	-57.7	86	-157.6	0	0	111.7	S155 R159 I160 K224	S155-E157 WeakPolarHBondContact CB-OE2 3.36Å; S155-E157 PolarHBondContact O-N 3.17Å; E157-R159 VanDerWaalsContact C-N 3.29Å; E157-R159 PolarHBondContact O-N 2.89Å; E157-I160 PolarHBondContact O-N 3.34Å; E157-K224 IonicContact OE2-NZ 3.51Å; E157-K224 PolarHBondContact OE2-NZ 2.92Å
158	S	98.1	Very high	97.6	Very high	8 Å²	8	38.3 Å²	38.3	6%	0.056	20%	0.201	C	C	.	.	H	α-helix	trans	-71.8	-26.6	177.9	-59.1	0	0	0	0	112.2	I132 A133 S155 E156 I160 V161 L162	I132-S158 WeakPolarHBondContact CA-OG 3.16Å; A133-S158 PolarHBondContact N-OG 3.07Å; A133-S158 PolarHBondContact O-OG 3.03Å; S155-S158 WeakPolarHBondContact O-CB 3.47Å; S155-S158 PolarHBondContact O-N 2.7Å; S155-S158 WeakPolarHBondContact OG-CB 3.46Å; S155-S158 PolarHBondContact OG-N 2.83Å; S155-S158 PolarHBondContact OG-OG 3.24Å; E156-S158 VanDerWaalsContact C-N 3.33Å; E156-S158 PolarHBondContact O-N 2.84Å; S158-I160 PolarHBondContact O-N 2.74Å; S158-V161 WeakPolarHBondContact O-CG2 3.48Å; S158-V161 PolarHBondContact O-N 3.11Å; S158-L162 WeakPolarHBondContact O-CB 3.24Å; S158-L162 VanDerWaalsContact O-CG 3.26Å; S158-L162 WeakPolarHBondContact O-CG 3.13Å; S158-L162 PolarHBondContact O-N 3.11Å
159	R	97.5	Very high	97.6	Very high	63 Å²	63	38.3 Å²	38.3	24%	0.238	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-36.7	176.4	-164.1	179.2	72.5	88.6	7.8	111.7	S155 E156 E157 L162 I163 N184 F187	S155-R159 PolarHBondContact O-N 2.96Å; E156-R159 VanDerWaalsContact CD-NE 3.32Å; E156-R159 VanDerWaalsContact O-CB 3.29Å; E156-R159 WeakPolarHBondContact O-CB 3.41Å; E156-R159 PolarHBondContact O-N 2.75Å; E156-R159 IonicContact OE1-CZ 3.98Å; E156-R159 VanDerWaalsContact OE1-CZ 3.25Å; E156-R159 IonicContact OE1-NE 2.87Å; E156-R159 PolarHBondContact OE1-NE 2.94Å; E156-R159 IonicContact OE1-NH2 2.78Å; E156-R159 PolarHBondContact OE1-NH2 2.93Å; E156-R159 IonicContact OE2-NE 2.85Å; E156-R159 PolarHBondContact OE2-NE 3.05Å; E156-R159 VanDerWaalsContact OE2-NE 3.11Å; E157-R159 VanDerWaalsContact C-N 3.29Å; E157-R159 PolarHBondContact O-N 2.89Å; R159-L162 PolarHBondContact O-N 3.42Å; R159-I163 HydrophobicContact CG-CD1 3.96Å; R159-I163 HydrophobicContact CG-CG1 4.4Å; R159-I163 WeakPolarHBondContact O-CB 3.48Å; R159-I163 VanDerWaalsContact O-CG1 3.23Å; R159-I163 WeakPolarHBondContact O-CG1 3.45Å; R159-I163 PolarHBondContact O-N 2.77Å; R159-N184 PolarHBondContact NH1-OD1 3.05Å; R159-F187 HydrophobicContact CG-CD2 4.14Å; R159-F187 HydrophobicContact CG-CE2 4.28Å
160	I	96.2	Very high	97.6	Very high	114 Å²	114	36.5 Å²	36.5	59%	0.585	19%	0.194	S	C	*	.	H	α-helix	trans	-62	-50.9	-179.5	-60.6	171.4	0	0	0	111	E157 S158 I163 S164	E157-I160 PolarHBondContact O-N 3.34Å; S158-I160 PolarHBondContact O-N 2.74Å; I160-I163 PolarHBondContact O-N 3.19Å; I160-S164 PolarHBondContact O-N 2.85Å; I160-S164 VanDerWaalsContact O-N 3.13Å
161	V	96.4	Very high	97.6	Very high	57 Å²	57	40.1 Å²	40.1	35%	0.345	22%	0.217	S	C	.	.	H	α-helix	trans	-69.4	-35.8	-179.9	-64.7	0	0	0	0	111.9	F130 I132 S158 S164 L165	F130-V161 HydrophobicContact CD2-CB 4.21Å; F130-V161 HydrophobicContact CD2-CG2 3.81Å; F130-V161 HydrophobicContact CE2-CB 4.29Å; F130-V161 HydrophobicContact CE2-CG2 3.88Å; I132-V161 HydrophobicContact CG2-CG2 4.25Å; S158-V161 WeakPolarHBondContact O-CG2 3.48Å; S158-V161 PolarHBondContact O-N 3.11Å; V161-S164 WeakPolarHBondContact O-CB 3.26Å; V161-S164 PolarHBondContact O-N 3.36Å; V161-L165 PolarHBondContact O-N 3.31Å
162	L	98.3	Very high	97.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.8	-36.8	175.4	-71.7	169.3	0	0	0	112.4	I65 F130 I132 A154 S158 R159 S164 L165 L166 F187	I65-L162 HydrophobicContact CD1-CD2 3.4Å; F130-L162 HydrophobicContact CE2-CD2 4.37Å; I132-L162 HydrophobicContact CG2-CD1 4.16Å; I132-L162 HydrophobicContact CG2-CD2 4.06Å; I132-L162 HydrophobicContact CG2-CG 3.98Å; A154-L162 HydrophobicContact CB-CD1 3.85Å; S158-L162 WeakPolarHBondContact O-CB 3.24Å; S158-L162 VanDerWaalsContact O-CG 3.26Å; S158-L162 WeakPolarHBondContact O-CG 3.13Å; S158-L162 PolarHBondContact O-N 3.11Å; R159-L162 PolarHBondContact O-N 3.42Å; L162-S164 VanDerWaalsContact C-N 3.34Å; L162-L165 PolarHBondContact O-N 2.98Å; L162-L166 WeakPolarHBondContact O-CB 3.45Å; L162-L166 PolarHBondContact O-N 3.11Å; L162-F187 HydrophobicContact CB-CD1 4.28Å; L162-F187 HydrophobicContact CB-CD2 3.67Å; L162-F187 HydrophobicContact CB-CE1 4.18Å; L162-F187 HydrophobicContact CB-CE2 3.55Å; L162-F187 HydrophobicContact CB-CG 4.03Å; L162-F187 HydrophobicContact CB-CZ 3.81Å; L162-F187 HydrophobicContact CD1-CB 3.71Å; L162-F187 HydrophobicContact CD1-CD1 4.37Å; L162-F187 HydrophobicContact CD1-CD2 3.88Å; L162-F187 HydrophobicContact CD1-CG 3.73Å; L162-F187 HydrophobicContact CG-CD2 4.42Å; L162-F187 HydrophobicContact CG-CG 4.43Å
163	I	98.2	Very high	97.6	Very high	44 Å²	44	40.6 Å²	40.6	23%	0.226	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-41.4	171.8	-74.5	170.6	0	0	0	110.7	R159 I160 L165 L166 N167 P185 F187	R159-I163 HydrophobicContact CG-CD1 3.96Å; R159-I163 HydrophobicContact CG-CG1 4.4Å; R159-I163 WeakPolarHBondContact O-CB 3.48Å; R159-I163 VanDerWaalsContact O-CG1 3.23Å; R159-I163 WeakPolarHBondContact O-CG1 3.45Å; R159-I163 PolarHBondContact O-N 2.77Å; I160-I163 PolarHBondContact O-N 3.19Å; I163-L165 VanDerWaalsContact C-N 3.3Å; I163-L165 PolarHBondContact O-N 3.02Å; I163-L166 PolarHBondContact O-N 3.47Å; I163-N167 WeakPolarHBondContact O-CB 3.35Å; I163-N167 PolarHBondContact O-N 3.43Å; I163-N167 PolarHBondContact O-ND2 2.83Å; I163-P185 HydrophobicContact CG1-CG 4.21Å; I163-F187 HydrophobicContact CG1-CE2 3.96Å; I163-F187 HydrophobicContact CG1-CZ 4.43Å
164	S	96.7	Very high	97.6	Very high	61 Å²	61	42.5 Å²	42.5	43%	0.427	23%	0.232	S	C	.	.	H	α-helix	trans	-58.6	-44.7	175.7	-170.1	0	0	0	0	111.3	F127 I160 V161 L162 N167	F127-S164 WeakPolarHBondContact CZ-O 3.15Å; I160-S164 PolarHBondContact O-N 2.85Å; I160-S164 VanDerWaalsContact O-N 3.13Å; V161-S164 WeakPolarHBondContact O-CB 3.26Å; V161-S164 PolarHBondContact O-N 3.36Å; L162-S164 VanDerWaalsContact C-N 3.34Å; S164-N167 PolarHBondContact O-N 3.38Å
165	L	97.8	Very high	97.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.5	-45.1	175.9	-179.9	60.6	0	0	0	111.8	I65 L102 V124 F127 F130 V161 L162 I163 N167 S168 V169 I232	I65-L165 HydrophobicContact CD1-CD2 4.12Å; I65-L165 HydrophobicContact CG1-CD2 4.42Å; L102-L165 HydrophobicContact CD1-CD2 3.78Å; L102-L165 HydrophobicContact CD1-CG 4.13Å; L102-L165 HydrophobicContact CD2-CD2 4.49Å; V124-L165 HydrophobicContact CB-CD1 4.37Å; V124-L165 HydrophobicContact CG1-CD1 3.76Å; F127-L165 HydrophobicContact CD1-CD1 4.37Å; F127-L165 HydrophobicContact CD2-CD1 4.46Å; F127-L165 HydrophobicContact CE1-CB 4.11Å; F127-L165 HydrophobicContact CE1-CD1 4.32Å; F127-L165 HydrophobicContact CE2-CD1 4.41Å; F127-L165 HydrophobicContact CG-CD1 4.46Å; F127-L165 HydrophobicContact CZ-CB 4.5Å; F127-L165 HydrophobicContact CZ-CD1 4.34Å; F130-L165 HydrophobicContact CE1-CD2 4.36Å; F130-L165 HydrophobicContact CZ-CD2 3.93Å; V161-L165 PolarHBondContact O-N 3.31Å; L162-L165 PolarHBondContact O-N 2.98Å; I163-L165 VanDerWaalsContact C-N 3.3Å; I163-L165 PolarHBondContact O-N 3.02Å; L165-N167 VanDerWaalsContact C-N 3.28Å; L165-N167 PolarHBondContact O-N 3.13Å; L165-S168 WeakPolarHBondContact O-CB 3.28Å; L165-S168 PolarHBondContact O-N 2.86Å; L165-V169 PolarHBondContact O-N 2.87Å; L165-V169 VanDerWaalsContact O-N 3.14Å; L165-I232 HydrophobicContact CD2-CG2 3.95Å
166	L	98.1	Very high	97.5	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-57.1	-41.4	177.1	177.7	64.6	0	0	0	111.8	L102 L162 I163 S168 V169 D170 Y181 P185 F187	L102-L166 WeakPolarHBondContact O-CD1 3.43Å; L162-L166 WeakPolarHBondContact O-CB 3.45Å; L162-L166 PolarHBondContact O-N 3.11Å; I163-L166 PolarHBondContact O-N 3.47Å; L166-S168 PolarHBondContact O-N 3.15Å; L166-S168 VanDerWaalsContact O-N 3.16Å; L166-V169 PolarHBondContact O-N 3.21Å; L166-D170 PolarHBondContact O-N 2.88Å; L166-Y181 HydrophobicContact CD1-CD1 4.02Å; L166-Y181 HydrophobicContact CD1-CG 4.13Å; L166-Y181 HydrophobicContact CD2-CD1 3.91Å; L166-P185 HydrophobicContact CD2-CB 4.32Å; L166-P185 HydrophobicContact CD2-CG 3.9Å; L166-F187 HydrophobicContact CB-CZ 4.19Å; L166-F187 HydrophobicContact CD2-CE1 4.49Å; L166-F187 HydrophobicContact CD2-CZ 3.97Å
167	N	97.6	Very high	97.5	Very high	101 Å²	101	50.1 Å²	50.1	54%	0.54	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-20.6	178.2	-72.5	-23.7	0	0	0	113.4	I163 S164 L165 P171	I163-N167 WeakPolarHBondContact O-CB 3.35Å; I163-N167 PolarHBondContact O-N 3.43Å; I163-N167 PolarHBondContact O-ND2 2.83Å; S164-N167 PolarHBondContact O-N 3.38Å; L165-N167 VanDerWaalsContact C-N 3.28Å; L165-N167 PolarHBondContact O-N 3.13Å; N167-P171 WeakPolarHBondContact O-CD 3.38Å; N167-P171 VanDerWaalsContact O-CG 3.31Å; N167-P171 WeakPolarHBondContact O-CG 3.36Å
168	S	97.5	Very high	97.5	Very high	32 Å²	32	44.8 Å²	44.8	22%	0.224	25%	0.246	C	C	.	.	H	α-helix	trans	-87.4	-30.2	170.1	-69.3	0	0	0	0	113	F127 L165 L166 C172	F127-S168 VanDerWaalsContact CE2-OG 3.29Å; F127-S168 WeakPolarHBondContact CE2-OG 3.17Å; L165-S168 WeakPolarHBondContact O-CB 3.28Å; L165-S168 PolarHBondContact O-N 2.86Å; L166-S168 PolarHBondContact O-N 3.15Å; L166-S168 VanDerWaalsContact O-N 3.16Å; S168-C172 PolarHBondContact O-SG 3.38Å; S168-C172 VanDerWaalsContact O-SG 3.4Å
169	V	98.2	Very high	97.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-78.6	-45.8	180	172.6	0	0	0	0	112.2	V63 L102 L120 V124 L165 L166 C172 V173 I232	V63-V169 HydrophobicContact CB-CG1 4.19Å; V63-V169 HydrophobicContact CG1-CG1 3.94Å; V63-V169 HydrophobicContact CG2-CG1 4.46Å; L102-V169 HydrophobicContact CB-CG1 4.32Å; L102-V169 HydrophobicContact CD1-CG2 4.26Å; L120-V169 HydrophobicContact CD2-CB 4.47Å; L120-V169 HydrophobicContact CD2-CG1 4.06Å; L120-V169 HydrophobicContact CD2-CG2 4.32Å; V124-V169 HydrophobicContact CG1-CG2 4.45Å; L165-V169 PolarHBondContact O-N 2.87Å; L165-V169 VanDerWaalsContact O-N 3.14Å; L166-V169 PolarHBondContact O-N 3.21Å; V169-C172 WeakPolarHBondContact O-CA 3.38Å; V169-C172 VanDerWaalsContact O-CB 3.25Å; V169-C172 WeakPolarHBondContact O-CB 3.5Å; V169-C172 PolarHBondContact O-N 3.41Å; V169-V173 HydrophobicContact CG1-CG2 3.9Å; V169-V173 PolarHBondContact O-N 2.91Å; V169-I232 HydrophobicContact CG2-CD1 4.02Å
170	D	98.2	Very high	97.4	Very high	21 Å²	21	51.5 Å²	51.5	11%	0.112	28%	0.282	C	S	.	.	H	α-helix	trans	-55	-43.3	-175.8	-100.3	4.5	0	0	0	114	L166 C172 V173 T174 Y181	L166-D170 PolarHBondContact O-N 2.88Å; D170-C172 VanDerWaalsContact C-N 3.26Å; D170-C172 PolarHBondContact O-N 2.93Å; D170-V173 PolarHBondContact O-N 3Å; D170-T174 WeakPolarHBondContact O-CB 3.48Å; D170-T174 WeakPolarHBondContact O-CG2 3.41Å; D170-T174 PolarHBondContact O-N 3.35Å; D170-T174 PolarHBondContact O-OG1 2.91Å; D170-Y181 PolarHBondContact OD1-N 3.3Å; D170-Y181 VanDerWaalsContact OD1-N 3.12Å; D170-Y181 PolarHBondContact OD2-N 3.17Å
171	P	98.3	Very high	97.4	Very high	75 Å²	75	46.9 Å²	46.9	49%	0.487	26%	0.257	S	S	.	.	H	α-helix	trans	-60.2	-35.8	173.8	-26.2	36.2	0	0	0	113.1	N167 T174 A175	N167-P171 WeakPolarHBondContact O-CD 3.38Å; N167-P171 VanDerWaalsContact O-CG 3.31Å; N167-P171 WeakPolarHBondContact O-CG 3.36Å; P171-T174 WeakPolarHBondContact CA-OG1 3.45Å; P171-T174 PolarHBondContact O-OG1 2.95Å; P171-A175 VanDerWaalsContact O-CB 3.28Å; P171-A175 WeakPolarHBondContact O-CB 3.14Å; P171-A175 PolarHBondContact O-N 2.83Å
172	C	98.1	Very high	97.3	Very high	11 Å²	11	48.8 Å²	48.8	7%	0.074	26%	0.259	C	S	.	.	H	α-helix	trans	-66.6	-49.3	175.4	-57.4	0	0	0	0	109.9	L116 L120 A123 S168 V169 D170 T174 A175 F176	L116-C172 HydrophobicContact CD1-CB 4.38Å; L120-C172 HydrophobicContact CD2-CB 3.66Å; L120-C172 HydrophobicContact CG-CB 4.07Å; A123-C172 VanDerWaalsContact CB-SG 3.59Å; S168-C172 PolarHBondContact O-SG 3.38Å; S168-C172 VanDerWaalsContact O-SG 3.4Å; V169-C172 WeakPolarHBondContact O-CA 3.38Å; V169-C172 VanDerWaalsContact O-CB 3.25Å; V169-C172 WeakPolarHBondContact O-CB 3.5Å; V169-C172 PolarHBondContact O-N 3.41Å; D170-C172 VanDerWaalsContact C-N 3.26Å; D170-C172 PolarHBondContact O-N 2.93Å; C172-T174 PolarHBondContact O-N 3.47Å; C172-A175 PolarHBondContact O-N 2.93Å; C172-F176 VanDerWaalsContact O-CD2 3.23Å; C172-F176 WeakPolarHBondContact O-CD2 3.3Å; C172-F176 PolarHBondContact O-N 2.89Å
173	V	98.1	Very high	97.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-57.7	-48.5	179.3	175.8	0	0	0	0	111.3	W106 V169 D170 A175 F176 G178 P179	W106-V173 HydrophobicContact CD2-CG1 4.18Å; W106-V173 HydrophobicContact CE3-CG1 4.09Å; W106-V173 HydrophobicContact CH2-CB 4.25Å; W106-V173 HydrophobicContact CH2-CG1 3.95Å; W106-V173 HydrophobicContact CH2-CG2 3.72Å; W106-V173 HydrophobicContact CZ2-CB 4.42Å; W106-V173 HydrophobicContact CZ2-CG1 4.03Å; W106-V173 HydrophobicContact CZ2-CG2 4.33Å; W106-V173 HydrophobicContact CZ3-CG1 3.97Å; W106-V173 HydrophobicContact CZ3-CG2 4.07Å; V169-V173 HydrophobicContact CG1-CG2 3.9Å; V169-V173 PolarHBondContact O-N 2.91Å; D170-V173 PolarHBondContact O-N 3Å; V173-A175 PolarHBondContact O-N 2.75Å; V173-F176 CarbonylContact O-C 3.45Å; V173-F176 PolarHBondContact O-N 2.89Å; V173-F176 VanDerWaalsContact O-N 3.14Å; V173-G178 WeakPolarHBondContact O-CA 3.18Å; V173-G178 PolarHBondContact O-N 3.42Å; V173-P179 WeakPolarHBondContact CG1-O 3.26Å
174	T	97.9	Very high	96.9	Very high	55 Å²	55	62.3 Å²	62.3	34%	0.337	33%	0.325	S	S	.	.	H	α-helix	trans	-68.3	-33.4	-178.6	52.9	0	0	0	0	113.6	D170 P171 C172 F176 R177 G178 K180	D170-T174 WeakPolarHBondContact O-CB 3.48Å; D170-T174 WeakPolarHBondContact O-CG2 3.41Å; D170-T174 PolarHBondContact O-N 3.35Å; D170-T174 PolarHBondContact O-OG1 2.91Å; P171-T174 WeakPolarHBondContact CA-OG1 3.45Å; P171-T174 PolarHBondContact O-OG1 2.95Å; C172-T174 PolarHBondContact O-N 3.47Å; T174-F176 PolarHBondContact O-N 3Å; T174-R177 PolarHBondContact O-N 3.26Å; T174-G178 WeakPolarHBondContact CA-O 3.42Å; T174-K180 HydrophobicContact CG2-CG 3.67Å
175	A	97.6	Very high	96.8	Very high	69 Å²	69	59.7 Å²	59.7	57%	0.57	31%	0.307	S	S	*	.	H	α-helix	trans	-59.7	-26.6	172.5	0	0	0	0	0	112.7	P171 C172 V173	P171-A175 VanDerWaalsContact O-CB 3.28Å; P171-A175 WeakPolarHBondContact O-CB 3.14Å; P171-A175 PolarHBondContact O-N 2.83Å; C172-A175 PolarHBondContact O-N 2.93Å; V173-A175 PolarHBondContact O-N 2.75Å
176	F	96.5	Very high	96.8	Very high	21 Å²	21	64 Å²	64	9%	0.092	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	30.3	174.7	-65.1	-83.6	0	0	0	113.1	I108 W112 N115 L116 N119 C172 V173 T174 G178	I108-F176 HydrophobicContact CD1-CB 3.89Å; I108-F176 HydrophobicContact CD1-CD1 4.04Å; I108-F176 HydrophobicContact CD1-CG 4.05Å; W112-F176 HydrophobicContact CB-CD1 3.8Å; W112-F176 HydrophobicContact CB-CE1 3.95Å; W112-F176 HydrophobicContact CD2-CD1 4.26Å; W112-F176 HydrophobicContact CE3-CD1 4.15Å; W112-F176 HydrophobicContact CG-CD1 4.14Å; W112-F176 HydrophobicContact CG-CE1 4.33Å; N115-F176 VanDerWaalsContact C-CZ 3.48Å; N115-F176 HydrophobicContact CB-CE1 3.88Å; N115-F176 HydrophobicContact CB-CZ 3.69Å; L116-F176 VanDerWaalsContact CA-CE2 3.4Å; L116-F176 HydrophobicContact CB-CD1 4.48Å; L116-F176 HydrophobicContact CB-CD2 3.85Å; L116-F176 HydrophobicContact CB-CE1 4.42Å; L116-F176 HydrophobicContact CB-CE2 3.82Å; L116-F176 HydrophobicContact CB-CG 4.21Å; L116-F176 HydrophobicContact CB-CZ 4.12Å; L116-F176 HydrophobicContact CD1-CD2 3.56Å; L116-F176 HydrophobicContact CD1-CE2 4Å; L116-F176 HydrophobicContact CD1-CG 4.32Å; L116-F176 HydrophobicContact CG-CD2 4.29Å; L116-F176 VanDerWaalsContact N-CZ 3.31Å; N119-F176 HydrophobicContact CB-CE2 4.34Å; N119-F176 WeakPolarHBondContact ND2-CE2 3.48Å; C172-F176 VanDerWaalsContact O-CD2 3.23Å; C172-F176 WeakPolarHBondContact O-CD2 3.3Å; C172-F176 PolarHBondContact O-N 2.89Å; V173-F176 CarbonylContact O-C 3.45Å; V173-F176 PolarHBondContact O-N 2.89Å; V173-F176 VanDerWaalsContact O-N 3.14Å; T174-F176 PolarHBondContact O-N 3Å; F176-G178 PolarHBondContact O-N 3.46Å; F176-G178 VanDerWaalsContact O-N 3.14Å
177	R	95.9	Very high	96.8	Very high	193 Å²	193	63.9 Å²	63.9	73%	0.728	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	15.4	175.7	-51.9	-178.2	176.7	-178.2	-2.1	114.9	W112 T174	W112-R177 HydrophobicContact CZ3-CG 4.45Å; T174-R177 PolarHBondContact O-N 3.26Å
178	G	96.6	Very high	96.8	Very high	8 Å²	8	60.9 Å²	60.9	8%	0.082	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-74	154.3	168	0	0	0	0	0	111.2	W106 V173 T174 F176	W106-G178 VanDerWaalsContact CD1-CA 3.46Å; V173-G178 WeakPolarHBondContact O-CA 3.18Å; V173-G178 PolarHBondContact O-N 3.42Å; T174-G178 WeakPolarHBondContact CA-O 3.42Å; F176-G178 PolarHBondContact O-N 3.46Å; F176-G178 VanDerWaalsContact O-N 3.14Å
179	P	96.1	Very high	96.8	Very high	62 Å²	62	59.3 Å²	59.3	40%	0.403	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-70.7	155.2	172.1	32.6	-35.1	0	0	0	110.3	K104 V173	K104-P179 HydrophobicContact CB-CG 4.12Å; K104-P179 HydrophobicContact CD-CG 4.33Å; V173-P179 WeakPolarHBondContact CG1-O 3.26Å
180	K	96.8	Very high	96.9	Very high	151 Å²	151	60.3 Å²	60.3	66%	0.657	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-58.4	155.8	161.6	-70	-172.2	177.3	-175.7	0	109.9	T174	T174-K180 HydrophobicContact CG2-CG 3.67Å
181	Y	96.5	Very high	96.8	Very high	16 Å²	16	59.5 Å²	59.5	6%	0.063	30%	0.299	C	S	.	.			trans	-69.4	-171.2	170.5	-157.6	-129.2	0	0	0	111.7	S101 S103 K104 L166 D170 P185 F187	S101-Y181 WeakPolarHBondContact CB-OH 3.38Å; S101-Y181 PolarHBondContact O-OH 3.49Å; S103-Y181 VanDerWaalsContact CA-CD2 3.41Å; S103-Y181 WeakPolarHBondContact O-CE2 3.14Å; K104-Y181 HydrophobicContact CG-CD2 4.14Å; K104-Y181 HydrophobicContact CG-CE2 4.43Å; L166-Y181 HydrophobicContact CD1-CD1 4.02Å; L166-Y181 HydrophobicContact CD1-CG 4.13Å; L166-Y181 HydrophobicContact CD2-CD1 3.91Å; D170-Y181 PolarHBondContact OD1-N 3.3Å; D170-Y181 VanDerWaalsContact OD1-N 3.12Å; D170-Y181 PolarHBondContact OD2-N 3.17Å; Y181-P185 HydrophobicContact CD1-CB 3.8Å; Y181-P185 HydrophobicContact CE1-CB 3.83Å; Y181-F187 HydrophobicContact CE1-CE1 4.28Å
182	Y	95	Very high	96.8	Very high	98 Å²	98	56 Å²	56	38%	0.384	28%	0.276	S	S	.	.			trans	-65.7	140.1	179.7	-60.8	-78.4	0	0	0	111.6	K104 E143 N184 P185	K104-Y182 VanDerWaalsContact CE-CE1 3.49Å; E143-Y182 WeakPolarHBondContact OE1-CE1 3.44Å; Y182-N184 VanDerWaalsContact C-N 3.34Å; Y182-N184 PolarHBondContact O-N 2.99Å; Y182-P185 WeakPolarHBondContact O-CD 3.41Å
183	E	92.9	Very high	96.8	Very high	206 Å²	206	57.2 Å²	57.2	96%	0.963	28%	0.279	S	S	*	.	S	Bend	trans	-60.3	-40.7	179.1	-66.7	-177.1	172.9	0	0	112.9	P185	E183-P185 WeakPolarHBondContact O-CD 3.31Å
184	N	94.4	Very high	96.7	Very high	122 Å²	122	57.2 Å²	57.2	65%	0.652	28%	0.279	S	S	*	.	S	Bend	trans	-117.1	84.1	169.5	-174.2	29.7	0	0	0	109.2	R159 Y182 K186	R159-N184 PolarHBondContact NH1-OD1 3.05Å; Y182-N184 VanDerWaalsContact C-N 3.34Å; Y182-N184 PolarHBondContact O-N 2.99Å; N184-K186 PolarHBondContact O-N 3.1Å
185	P	95.5	Very high	96.5	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.032	28%	0.277	C	S	.	.			trans	-70.6	122.3	-172.6	28.8	-33.5	0	0	0	110.8	I163 L166 Y181 Y182 E183 F187	I163-P185 HydrophobicContact CG1-CG 4.21Å; L166-P185 HydrophobicContact CD2-CB 4.32Å; L166-P185 HydrophobicContact CD2-CG 3.9Å; Y181-P185 HydrophobicContact CD1-CB 3.8Å; Y181-P185 HydrophobicContact CE1-CB 3.83Å; Y182-P185 WeakPolarHBondContact O-CD 3.41Å; E183-P185 WeakPolarHBondContact O-CD 3.31Å; P185-F187 HydrophobicContact CB-CD2 4.36Å; P185-F187 HydrophobicContact CB-CE1 4.22Å; P185-F187 HydrophobicContact CB-CE2 3.86Å; P185-F187 HydrophobicContact CB-CZ 3.8Å; P185-F187 HydrophobicContact CG-CD2 4.41Å; P185-F187 HydrophobicContact CG-CE2 3.58Å; P185-F187 HydrophobicContact CG-CZ 3.67Å; P185-F187 PolarHBondContact O-N 2.82Å
186	K	96	Very high	96.3	Very high	92 Å²	92	55.2 Å²	55.2	40%	0.4	26%	0.262	S	S	.	.			trans	-87.9	91.6	164.2	-176.4	174.9	-67.4	-159.2	0	107.9	E138 L140 V153 N184 H188	E138-K186 IonicContact OE1-NZ 2.6Å; E138-K186 PolarHBondContact OE1-NZ 2.85Å; E138-K186 IonicContact OE2-NZ 3.25Å; E138-K186 PolarHBondContact OE2-NZ 3.35Å; L140-K186 HydrophobicContact CD2-CD 4.24Å; V153-K186 HydrophobicContact CG1-CD 4.25Å; V153-K186 HydrophobicContact CG1-CG 3.89Å; V153-K186 HydrophobicContact CG2-CD 4.47Å; N184-K186 PolarHBondContact O-N 3.1Å; K186-H188 PolarHBondContact O-N 3.41Å; K186-H188 PolarHBondContact O-ND1 3.2Å
187	F	98.4	Very high	96.3	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.013	27%	0.265	C	S	.	.			trans	-66.2	128.5	176.4	-62.2	-78.4	0	0	0	110	I100 L102 A154 R159 L162 I163 L166 Y181 P185	I100-F187 HydrophobicContact CG2-CB 3.9Å; I100-F187 HydrophobicContact CG2-CD1 4Å; I100-F187 HydrophobicContact CG2-CG 4.41Å; L102-F187 HydrophobicContact CD2-CD1 4.37Å; L102-F187 HydrophobicContact CD2-CE1 3.88Å; A154-F187 HydrophobicContact CB-CB 3.91Å; A154-F187 WeakPolarHBondContact CB-O 3.4Å; A154-F187 PolarHBondContact N-O 3.36Å; R159-F187 HydrophobicContact CG-CD2 4.14Å; R159-F187 HydrophobicContact CG-CE2 4.28Å; L162-F187 HydrophobicContact CB-CD1 4.28Å; L162-F187 HydrophobicContact CB-CD2 3.67Å; L162-F187 HydrophobicContact CB-CE1 4.18Å; L162-F187 HydrophobicContact CB-CE2 3.55Å; L162-F187 HydrophobicContact CB-CG 4.03Å; L162-F187 HydrophobicContact CB-CZ 3.81Å; L162-F187 HydrophobicContact CD1-CB 3.71Å; L162-F187 HydrophobicContact CD1-CD1 4.37Å; L162-F187 HydrophobicContact CD1-CD2 3.88Å; L162-F187 HydrophobicContact CD1-CG 3.73Å; L162-F187 HydrophobicContact CG-CD2 4.42Å; L162-F187 HydrophobicContact CG-CG 4.43Å; I163-F187 HydrophobicContact CG1-CE2 3.96Å; I163-F187 HydrophobicContact CG1-CZ 4.43Å; L166-F187 HydrophobicContact CB-CZ 4.19Å; L166-F187 HydrophobicContact CD2-CE1 4.49Å; L166-F187 HydrophobicContact CD2-CZ 3.97Å; Y181-F187 HydrophobicContact CE1-CE1 4.28Å; P185-F187 HydrophobicContact CB-CD2 4.36Å; P185-F187 HydrophobicContact CB-CE1 4.22Å; P185-F187 HydrophobicContact CB-CE2 3.86Å; P185-F187 HydrophobicContact CB-CZ 3.8Å; P185-F187 HydrophobicContact CG-CD2 4.41Å; P185-F187 HydrophobicContact CG-CE2 3.58Å; P185-F187 HydrophobicContact CG-CZ 3.67Å; P185-F187 PolarHBondContact O-N 2.82Å
188	H	98.3	Very high	96.3	Very high	38 Å²	38	46.3 Å²	46.3	18%	0.176	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156.2	-175.5	62.2	-88.4	0	0	0	110.8	I100 L140 L152 K186	I100-H188 WeakPolarHBondContact CA-O 3.32Å; L140-H188 HydrophobicContact CD1-CB 4.31Å; L140-H188 VanDerWaalsContact CD1-CE1 3.46Å; L140-H188 WeakPolarHBondContact CD1-CE1 3.5Å; L140-H188 WeakPolarHBondContact CD1-ND1 3.35Å; L152-H188 CarbonylContact O-C 3.59Å; L152-H188 WeakPolarHBondContact O-CA 3.31Å; K186-H188 PolarHBondContact O-N 3.41Å; K186-H188 PolarHBondContact O-ND1 3.2Å
189	M	98.4	Very high	96.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	110.6	172.6	-177.6	-168.6	75.9	0	0	109	C67 L70 I74 P98 H99 I100 L134 T151 L152	C67-M189 HydrophobicContact CB-CG 4.26Å; C67-M189 HydrophobicContact CB-SD 3.35Å; C67-M189 WeakPolarHBondContact CB-SD 3.33Å; L70-M189 HydrophobicContact CB-CE 4.23Å; L70-M189 HydrophobicContact CB-SD 4.23Å; L70-M189 HydrophobicContact CD1-CE 4.06Å; L70-M189 HydrophobicContact CD1-SD 3.84Å; I74-M189 HydrophobicContact CG1-CE 4.24Å; P98-M189 HydrophobicContact CB-CE 4.43Å; P98-M189 HydrophobicContact CB-CG 3.85Å; P98-M189 HydrophobicContact CB-SD 3.6Å; H99-M189 WeakPolarHBondContact O-CA 3.38Å; I100-M189 HydrophobicContact CG1-CB 3.95Å; L134-M189 HydrophobicContact CD1-CB 4.42Å; L134-M189 HydrophobicContact CD1-CE 4.28Å; L134-M189 HydrophobicContact CD1-SD 4.43Å; T151-M189 CarbonylContact C-O 3.52Å; T151-M189 VanDerWaalsContact CA-O 3.3Å; T151-M189 WeakPolarHBondContact CA-O 3.48Å; L152-M189 HydrophobicContact CB-CE 4.42Å; L152-M189 HydrophobicContact CD1-CE 3.77Å; L152-M189 HydrophobicContact CG-CE 4.2Å; L152-M189 PolarHBondContact N-O 2.99Å; L152-M189 PolarHBondContact O-N 2.81Å
190	S	98.4	Very high	96.3	Very high	20 Å²	20	57.3 Å²	57.3	14%	0.14	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	140	173.9	-57.4	0	0	0	0	111	F150 T151	F150-S190 WeakPolarHBondContact O-CA 3.33Å; T151-S190 WeakPolarHBondContact CG2-OG 3.3Å
191	F	98	Very high	96.2	Very high	5 Å²	5	56.3 Å²	56.3	2%	0.022	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	-25.1	178.8	62.2	-96.5	0	0	0	114.3	I74 I78 V95 V137 F150 T151 L152 L214 I218	I74-F191 HydrophobicContact CG2-CB 3.56Å; I74-F191 HydrophobicContact CG2-CD2 3.83Å; I74-F191 HydrophobicContact CG2-CG 3.81Å; I78-F191 HydrophobicContact CD1-CD2 3.83Å; I78-F191 HydrophobicContact CD1-CE2 4.35Å; V95-F191 PolarHBondContact N-O 3.28Å; V137-F191 HydrophobicContact CG1-CZ 4.18Å; F150-F191 HydrophobicContact CB-CE1 4.26Å; F150-F191 HydrophobicContact CB-CE2 3.91Å; F150-F191 HydrophobicContact CB-CZ 3.73Å; F150-F191 WeakPolarHBondContact O-CD1 3.33Å; F150-F191 PolarHBondContact O-N 2.88Å; T151-F191 VanDerWaalsContact C-CE1 3.45Å; L152-F191 HydrophobicContact CD2-CD1 4.21Å; L152-F191 HydrophobicContact CD2-CE1 3.72Å; L152-F191 HydrophobicContact CG-CD1 3.85Å; L152-F191 HydrophobicContact CG-CE1 3.87Å; F191-L214 HydrophobicContact CE2-CD1 4.21Å; F191-L214 HydrophobicContact CE2-CD2 4.01Å; F191-L214 HydrophobicContact CZ-CD1 4.18Å; F191-L214 HydrophobicContact CZ-CD2 4.49Å; F191-I218 HydrophobicContact CD2-CD1 4.48Å; F191-I218 HydrophobicContact CE1-CD1 4.07Å; F191-I218 HydrophobicContact CE2-CD1 3.9Å; F191-I218 HydrophobicContact CZ-CD1 3.65Å
192	L	98.2	Very high	96.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	155.8	164	-64.8	169.5	0	0	0	109.9	I78 M89 C92 Y93 T94 F149 F150 F210 L214	I78-L192 HydrophobicContact CD1-CD1 4.22Å; I78-L192 HydrophobicContact CD1-CD2 3.87Å; I78-L192 HydrophobicContact CD1-CG 3.93Å; I78-L192 HydrophobicContact CG1-CD1 4.48Å; I78-L192 HydrophobicContact CG2-CD2 4.49Å; M89-L192 HydrophobicContact CE-CD1 4.46Å; M89-L192 HydrophobicContact CE-CD2 3.95Å; M89-L192 HydrophobicContact SD-CD1 3.75Å; M89-L192 HydrophobicContact SD-CD2 4.34Å; C92-L192 HydrophobicContact CB-CB 4.27Å; C92-L192 HydrophobicContact CB-CD1 4.18Å; C92-L192 HydrophobicContact CB-CD2 4.12Å; C92-L192 HydrophobicContact CB-CG 4.41Å; Y93-L192 CarbonylContact O-C 3.5Å; Y93-L192 VanDerWaalsContact O-CA 3.26Å; Y93-L192 WeakPolarHBondContact O-CA 3.3Å; T94-L192 HydrophobicContact CG2-CD2 3.96Å; F149-L192 WeakPolarHBondContact CA-O 3.46Å; F150-L192 HydrophobicContact CB-CB 4.07Å; F150-L192 HydrophobicContact CD2-CB 3.97Å; F150-L192 HydrophobicContact CG-CB 4.37Å; F150-L192 PolarHBondContact N-O 2.81Å; F150-L192 PolarHBondContact O-N 2.88Å; L192-F210 HydrophobicContact CD1-CZ 4.33Å; L192-L214 HydrophobicContact CD1-CD2 4.23Å
193	W	97.3	Very high	96.2	Very high	37 Å²	37	55.5 Å²	55.5	14%	0.14	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	153.3	172.5	68.3	-85.4	0	0	0	112.4	D46 C92 Y93 T94 S148 F149	D46-W193 HydrophobicContact CB-CH2 3.59Å; D46-W193 HydrophobicContact CB-CZ2 4.11Å; C92-W193 WeakPolarHBondContact CA-O 3.5Å; Y93-W193 VanDerWaalsContact CB-CE2 3.41Å; Y93-W193 HydrophobicContact CD1-CZ2 4.38Å; Y93-W193 HydrophobicContact CD2-CD2 4.31Å; Y93-W193 HydrophobicContact CD2-CE3 4.17Å; Y93-W193 AromaticContact CD2-CH2 3.73Å; Y93-W193 HydrophobicContact CD2-CH2 3.73Å; Y93-W193 AromaticContact CD2-CZ2 3.9Å; Y93-W193 HydrophobicContact CD2-CZ2 3.9Å; Y93-W193 AromaticContact CD2-CZ3 3.88Å; Y93-W193 HydrophobicContact CD2-CZ3 3.88Å; Y93-W193 HydrophobicContact CE2-CH2 4.17Å; Y93-W193 HydrophobicContact CE2-CZ3 4.3Å; Y93-W193 AromaticContact CG-CE2 3.97Å; Y93-W193 HydrophobicContact CG-CH2 4.02Å; Y93-W193 AromaticContact CG-CZ2 3.72Å; Y93-W193 HydrophobicContact CG-CZ2 3.72Å; Y93-W193 PolarHBondContact N-O 2.8Å; Y93-W193 PolarHBondContact O-N 2.6Å; T94-W193 PolarHBondContact O-NE1 3.09Å; S148-W193 CarbonylContact O-C 3.25Å; S148-W193 WeakPolarHBondContact O-CA 3.43Å; S148-W193 WeakPolarHBondContact O-CB 3.36Å; F149-W193 HydrophobicContact CD1-CB 3.53Å; F149-W193 HydrophobicContact CE1-CB 3.69Å; F149-W193 HydrophobicContact CE1-CG 4.4Å; F149-W193 HydrophobicContact CG-CB 4.4Å
194	C	95.3	Very high	96.4	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.007	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152	179	-59.7	0	0	0	0	111.1	C92 R147 S148 V198	C92-C194 PolarHBondContact SG-SG 3.37Å; R147-C194 WeakPolarHBondContact CA-O 3.29Å; R147-C194 VanDerWaalsContact CD-O 3.26Å; R147-C194 WeakPolarHBondContact CD-O 3.26Å; S148-C194 PolarHBondContact N-O 3.47Å; S148-C194 VanDerWaalsContact N-O 3.07Å; S148-C194 PolarHBondContact O-N 2.92Å; C194-V198 HydrophobicContact CB-CG1 3.51Å
195	N	94.4	Very high	96.5	Very high	56 Å²	56	51 Å²	51	30%	0.299	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	132	167.5	-74.2	-44.9	0	0	0	111	D46 R147	D46-N195 PolarHBondContact O-OD1 2.59Å; R147-N195 PolarHBondContact NE-OD1 2.77Å; R147-N195 PolarHBondContact NH1-OD1 3.19Å; R147-N195 PolarHBondContact NH2-OD1 3.21Å
196	G	94.2	Very high	96.6	Very high	25 Å²	25	52.9 Å²	52.9	26%	0.258	26%	0.261	S	S	.	.	S	Bend	trans	77.9	-173.3	178.7	0	0	0	0	0	114.3	T146 R147 S148	T146-G196 VanDerWaalsContact O-CA 3.3Å; T146-G196 WeakPolarHBondContact O-CA 3.49Å; T146-G196 PolarHBondContact O-N 3.44Å; R147-G196 CarbonylContact C-O 3.59Å; R147-G196 VanDerWaalsContact C-O 3.24Å; R147-G196 WeakPolarHBondContact CA-O 3.43Å; S148-G196 PolarHBondContact N-O 2.81Å; S148-G196 VanDerWaalsContact N-O 3.11Å; S148-G196 PolarHBondContact OG-O 3.05Å
197	N	95.6	Very high	96.6	Very high	26 Å²	26	48.6 Å²	48.6	14%	0.139	24%	0.242	C	C	.	.			trans	-88.6	105.2	174.2	-177.6	-20.6	0	0	0	109.7	V141 N145 S148 R199 K200	V141-N197 HydrophobicContact CG1-CB 3.98Å; N145-N197 HydrophobicContact CB-CB 4.41Å; N145-N197 PolarHBondContact O-N 2.81Å; N145-N197 PolarHBondContact OD1-ND2 3.08Å; S148-N197 WeakPolarHBondContact OG-CA 3.36Å; N197-R199 PolarHBondContact O-N 3.03Å; N197-R199 VanDerWaalsContact O-N 3.17Å; N197-R199 WeakPolarHBondContact OD1-CA 3.46Å; N197-R199 WeakPolarHBondContact OD1-CB 3.47Å; N197-R199 PolarHBondContact OD1-N 3.22Å; N197-K200 HydrophobicContact CB-CD 4.14Å; N197-K200 HydrophobicContact CB-CG 4.13Å; N197-K200 WeakPolarHBondContact O-CB 3.25Å; N197-K200 PolarHBondContact O-N 2.89Å
198	V	96.3	Very high	96.6	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-24.3	-178.7	-65	0	0	0	0	112.7	V139 S148 C194 K200 K201 Y202 L207	V139-V198 HydrophobicContact CG1-CG2 3.73Å; S148-V198 PolarHBondContact OG-N 3.36Å; C194-V198 HydrophobicContact CB-CG1 3.51Å; V198-K200 PolarHBondContact O-N 3.46Å; V198-K201 PolarHBondContact O-N 2.89Å; V198-Y202 HydrophobicContact CB-CD2 4.25Å; V198-Y202 PolarHBondContact O-N 3.44Å; V198-L207 HydrophobicContact CB-CD2 4.23Å; V198-L207 HydrophobicContact CG2-CD1 4.28Å; V198-L207 HydrophobicContact CG2-CD2 4Å
199	R	96	Very high	96.5	Very high	132 Å²	132	53.8 Å²	53.8	50%	0.498	27%	0.271	S	S	.	.	H	α-helix	trans	-68.6	-14.8	175.2	-51.1	-177.9	174.2	-77.1	0.4	112.8	V139 V141 N197 L207	V139-R199 PolarHBondContact O-NH2 3.16Å; V141-R199 HydrophobicContact CG2-CG 4.38Å; N197-R199 PolarHBondContact O-N 3.03Å; N197-R199 VanDerWaalsContact O-N 3.17Å; N197-R199 WeakPolarHBondContact OD1-CA 3.46Å; N197-R199 WeakPolarHBondContact OD1-CB 3.47Å; N197-R199 PolarHBondContact OD1-N 3.22Å; R199-L207 HydrophobicContact CB-CD1 4.44Å; R199-L207 HydrophobicContact CG-CD1 4.1Å
200	K	95.5	Very high	96.5	Very high	168 Å²	168	53.8 Å²	53.8	73%	0.73	27%	0.271	S	S	*	.	H	α-helix	trans	-91.6	-19	171.1	-60.4	-176.8	-178.1	178.3	0	112.7	N197 V198	N197-K200 HydrophobicContact CB-CD 4.14Å; N197-K200 HydrophobicContact CB-CG 4.13Å; N197-K200 WeakPolarHBondContact O-CB 3.25Å; N197-K200 PolarHBondContact O-N 2.89Å; V198-K200 PolarHBondContact O-N 3.46Å
201	K	94.8	Very high	96.4	Very high	131 Å²	131	53.6 Å²	53.6	57%	0.57	27%	0.27	S	S	*	.	H	α-helix	trans	-98	-37.9	-176.7	-174.9	172.3	178.9	177	0	112.8	D91 V198	D91-K201 IonicContact OD1-NZ 2.75Å; D91-K201 PolarHBondContact OD1-NZ 3.19Å; D91-K201 VanDerWaalsContact OD2-CD 3.25Å; D91-K201 WeakPolarHBondContact OD2-CD 3.12Å; D91-K201 WeakPolarHBondContact OD2-CE 3.39Å; D91-K201 IonicContact OD2-NZ 3.7Å; D91-K201 PolarHBondContact OD2-NZ 2.77Å; V198-K201 PolarHBondContact O-N 2.89Å
202	Y	96.9	Very high	96.4	Very high	36 Å²	36	58.5 Å²	58.5	14%	0.141	29%	0.294	C	S	.	.	S	Bend	trans	-116.8	150.1	-175.7	-63.1	-77.9	0	0	0	111.3	P87 V88 D91 V198 T206 L207	P87-Y202 HydrophobicContact CB-CE1 4.38Å; P87-Y202 PolarHBondContact O-OH 3.44Å; V88-Y202 HydrophobicContact CB-CE2 4.47Å; V88-Y202 HydrophobicContact CG1-CE2 4.36Å; V88-Y202 HydrophobicContact CG2-CD1 3.85Å; V88-Y202 HydrophobicContact CG2-CD2 4.07Å; V88-Y202 HydrophobicContact CG2-CE1 3.91Å; V88-Y202 HydrophobicContact CG2-CE2 4.15Å; V88-Y202 HydrophobicContact CG2-CG 3.91Å; D91-Y202 VanDerWaalsContact CG-OH 3.24Å; D91-Y202 WeakPolarHBondContact OD2-CE2 3.38Å; D91-Y202 PolarHBondContact OD2-OH 3.31Å; V198-Y202 HydrophobicContact CB-CD2 4.25Å; V198-Y202 PolarHBondContact O-N 3.44Å; Y202-T206 HydrophobicContact CD1-CG2 4.08Å; Y202-L207 HydrophobicContact CD2-CD2 4.35Å; Y202-L207 HydrophobicContact CG-CD2 4.43Å
203	S	96.6	Very high	96.4	Very high	61 Å²	61	60.3 Å²	60.3	43%	0.427	30%	0.304	S	S	.	.			trans	-66.7	155.2	173.9	78.9	0	0	0	0	110.7	E205 T206 L207	S203-E205 PolarHBondContact O-N 2.92Å; S203-T206 PolarHBondContact O-N 3.33Å; S203-T206 PolarHBondContact OG-N 3.38Å; S203-T206 VanDerWaalsContact OG-N 3.1Å; S203-T206 PolarHBondContact OG-OG1 2.93Å; S203-L207 PolarHBondContact O-N 3.49Å
204	T	96.5	Very high	96.4	Very high	97 Å²	97	58.5 Å²	58.5	60%	0.595	30%	0.297	S	S	*	.	H	α-helix	trans	-56.5	-38.4	174.6	-54	0	0	0	0	111.8	L207 N208	T204-L207 PolarHBondContact O-N 3.44Å; T204-N208 VanDerWaalsContact O-CB 3.29Å; T204-N208 WeakPolarHBondContact O-CB 3.4Å; T204-N208 PolarHBondContact O-N 2.9Å; T204-N208 PolarHBondContact O-ND2 3.1Å; T204-N208 PolarHBondContact O-OD1 3.27Å
205	E	96.5	Very high	96.5	Very high	137 Å²	137	62.1 Å²	62.1	64%	0.64	31%	0.314	S	S	*	.	H	α-helix	trans	-63.2	-47.8	176.8	-175.5	-178.3	174.6	0	0	111.6	S203 L207 N208 N209	S203-E205 PolarHBondContact O-N 2.92Å; E205-L207 VanDerWaalsContact C-N 3.34Å; E205-L207 PolarHBondContact O-N 3.46Å; E205-N208 PolarHBondContact O-N 3.23Å; E205-N209 WeakPolarHBondContact O-CB 3.36Å; E205-N209 VanDerWaalsContact O-CG 3.27Å; E205-N209 PolarHBondContact O-N 3.02Å; E205-N209 PolarHBondContact O-ND2 3.24Å
206	T	96.7	Very high	96.6	Very high	43 Å²	43	66.1 Å²	66.1	26%	0.264	33%	0.329	S	S	.	.	H	α-helix	trans	-60	-44.3	178.1	-58.9	0	0	0	0	111.6	V88 Y202 S203 F210	V88-T206 HydrophobicContact CG2-CG2 3.83Å; Y202-T206 HydrophobicContact CD1-CG2 4.08Å; S203-T206 PolarHBondContact O-N 3.33Å; S203-T206 PolarHBondContact OG-N 3.38Å; S203-T206 VanDerWaalsContact OG-N 3.1Å; S203-T206 PolarHBondContact OG-OG1 2.93Å; T206-F210 WeakPolarHBondContact O-CB 3.33Å; T206-F210 PolarHBondContact O-N 2.99Å
207	L	97.3	Very high	96.8	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-67.5	-38.4	178.3	-69.1	174.5	0	0	0	112.5	V88 F150 V198 R199 Y202 S203 T204 E205 S211	V88-L207 HydrophobicContact CG1-CD2 4.33Å; V88-L207 HydrophobicContact CG2-CD2 4.29Å; F150-L207 HydrophobicContact CZ-CD2 4.48Å; V198-L207 HydrophobicContact CB-CD2 4.23Å; V198-L207 HydrophobicContact CG2-CD1 4.28Å; V198-L207 HydrophobicContact CG2-CD2 4Å; R199-L207 HydrophobicContact CB-CD1 4.44Å; R199-L207 HydrophobicContact CG-CD1 4.1Å; Y202-L207 HydrophobicContact CD2-CD2 4.35Å; Y202-L207 HydrophobicContact CG-CD2 4.43Å; S203-L207 PolarHBondContact O-N 3.49Å; T204-L207 PolarHBondContact O-N 3.44Å; E205-L207 VanDerWaalsContact C-N 3.34Å; E205-L207 PolarHBondContact O-N 3.46Å; L207-S211 WeakPolarHBondContact O-CB 3.32Å; L207-S211 PolarHBondContact O-N 3.03Å; L207-S211 PolarHBondContact O-OG 3.4Å
208	N	97	Very high	96.8	Very high	78 Å²	78	64.5 Å²	64.5	42%	0.417	32%	0.316	S	S	.	.	H	α-helix	trans	-66.1	-46.1	176.9	-73.9	-12.1	0	0	0	111.1	T204 E205 F210 S211 M212	T204-N208 VanDerWaalsContact O-CB 3.29Å; T204-N208 WeakPolarHBondContact O-CB 3.4Å; T204-N208 PolarHBondContact O-N 2.9Å; T204-N208 PolarHBondContact O-ND2 3.1Å; T204-N208 PolarHBondContact O-OD1 3.27Å; E205-N208 PolarHBondContact O-N 3.23Å; N208-F210 VanDerWaalsContact C-N 3.35Å; N208-F210 PolarHBondContact O-N 3.08Å; N208-S211 PolarHBondContact O-N 2.98Å; N208-M212 WeakPolarHBondContact O-CG 3.26Å; N208-M212 PolarHBondContact O-N 3.27Å
209	N	97	Very high	96.8	Very high	72 Å²	72	65.4 Å²	65.4	39%	0.385	32%	0.32	S	S	.	.	H	α-helix	trans	-59.5	-47.2	177.1	-70	-14.7	0	0	0	110.7	E205 S211 M212 D213	E205-N209 WeakPolarHBondContact O-CB 3.36Å; E205-N209 VanDerWaalsContact O-CG 3.27Å; E205-N209 PolarHBondContact O-N 3.02Å; E205-N209 PolarHBondContact O-ND2 3.24Å; N209-S211 VanDerWaalsContact C-N 3.34Å; N209-S211 PolarHBondContact O-N 3.45Å; N209-M212 WeakPolarHBondContact O-CB 3.23Å; N209-M212 PolarHBondContact O-N 2.79Å; N209-M212 VanDerWaalsContact O-N 3.16Å; N209-D213 PolarHBondContact O-N 3.38Å
210	F	97.9	Very high	96.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.3	-41.5	176.8	-173.7	-123.5	0	0	0	112.7	I83 N86 V88 M89 F150 L192 T206 N208 M212 D213 L214	I83-F210 HydrophobicContact CG2-CE2 3.9Å; I83-F210 HydrophobicContact CG2-CZ 4.34Å; N86-F210 HydrophobicContact CB-CD2 3.63Å; N86-F210 HydrophobicContact CB-CE2 3.87Å; N86-F210 WeakPolarHBondContact ND2-CD2 3.31Å; V88-F210 HydrophobicContact CB-CD1 3.75Å; V88-F210 HydrophobicContact CB-CD2 4.48Å; V88-F210 HydrophobicContact CB-CE1 3.99Å; V88-F210 HydrophobicContact CB-CG 4.02Å; V88-F210 HydrophobicContact CB-CZ 4.45Å; V88-F210 HydrophobicContact CG1-CD1 3.54Å; V88-F210 HydrophobicContact CG1-CE1 3.63Å; V88-F210 HydrophobicContact CG1-CG 4.3Å; V88-F210 HydrophobicContact CG1-CZ 4.45Å; V88-F210 HydrophobicContact CG2-CB 4.43Å; V88-F210 HydrophobicContact CG2-CD1 4.41Å; V88-F210 HydrophobicContact CG2-CG 4.43Å; M89-F210 HydrophobicContact CB-CE2 3.95Å; M89-F210 HydrophobicContact CB-CZ 3.94Å; M89-F210 HydrophobicContact SD-CZ 4.1Å; F150-F210 HydrophobicContact CD1-CD1 4.17Å; F150-F210 HydrophobicContact CD1-CE1 4.09Å; F150-F210 AromaticContact CE1-CD1 3.41Å; F150-F210 HydrophobicContact CE1-CD1 3.41Å; F150-F210 VanDerWaalsContact CE1-CD1 3.41Å; F150-F210 AromaticContact CE1-CE1 3.63Å; F150-F210 HydrophobicContact CE1-CE1 3.63Å; F150-F210 HydrophobicContact CE2-CE1 4.09Å; F150-F210 AromaticContact CZ-CD1 3.65Å; F150-F210 HydrophobicContact CZ-CD1 3.65Å; F150-F210 AromaticContact CZ-CE1 3.65Å; F150-F210 HydrophobicContact CZ-CE1 3.65Å; L192-F210 HydrophobicContact CD1-CZ 4.33Å; T206-F210 WeakPolarHBondContact O-CB 3.33Å; T206-F210 PolarHBondContact O-N 2.99Å; N208-F210 VanDerWaalsContact C-N 3.35Å; N208-F210 PolarHBondContact O-N 3.08Å; F210-M212 VanDerWaalsContact C-N 3.33Å; F210-M212 PolarHBondContact O-N 2.95Å; F210-D213 PolarHBondContact O-N 3.32Å; F210-L214 HydrophobicContact CD1-CD1 3.87Å; F210-L214 HydrophobicContact CE1-CD1 3.59Å; F210-L214 HydrophobicContact CE1-CG 4.28Å; F210-L214 HydrophobicContact CE2-CG 4.34Å; F210-L214 HydrophobicContact CG-CD1 4.43Å; F210-L214 HydrophobicContact CZ-CD1 3.94Å; F210-L214 HydrophobicContact CZ-CD2 4.28Å; F210-L214 HydrophobicContact CZ-CG 4.17Å; F210-L214 WeakPolarHBondContact O-CB 3.47Å; F210-L214 WeakPolarHBondContact O-CG 3.47Å; F210-L214 PolarHBondContact O-N 3.01Å
211	S	97.6	Very high	96.4	Very high	17 Å²	17	64.4 Å²	64.4	12%	0.119	33%	0.331	C	S	.	.	H	α-helix	trans	-64.6	-36.9	176.2	-55.8	0	0	0	0	112.1	L207 N208 N209 Q215	L207-S211 WeakPolarHBondContact O-CB 3.32Å; L207-S211 PolarHBondContact O-N 3.03Å; L207-S211 PolarHBondContact O-OG 3.4Å; N208-S211 PolarHBondContact O-N 2.98Å; N209-S211 VanDerWaalsContact C-N 3.34Å; N209-S211 PolarHBondContact O-N 3.45Å; S211-Q215 VanDerWaalsContact O-CB 3.31Å; S211-Q215 WeakPolarHBondContact O-CB 3.43Å; S211-Q215 PolarHBondContact O-N 3.32Å
212	M	97.1	Very high	96.3	Very high	108 Å²	108	60.5 Å²	60.5	53%	0.532	32%	0.32	S	S	.	.	H	α-helix	trans	-66.5	-40.4	174.8	-72	-178.8	-172.6	0	0	112.1	N208 N209 F210 Q215 K216	N208-M212 WeakPolarHBondContact O-CG 3.26Å; N208-M212 PolarHBondContact O-N 3.27Å; N209-M212 WeakPolarHBondContact O-CB 3.23Å; N209-M212 PolarHBondContact O-N 2.79Å; N209-M212 VanDerWaalsContact O-N 3.16Å; F210-M212 VanDerWaalsContact C-N 3.33Å; F210-M212 PolarHBondContact O-N 2.95Å; M212-Q215 PolarHBondContact O-N 3.5Å; M212-K216 VanDerWaalsContact O-CG 3.31Å; M212-K216 WeakPolarHBondContact O-CG 3.4Å; M212-K216 PolarHBondContact O-N 2.95Å
213	D	97.7	Very high	96.2	Very high	37 Å²	37	67.5 Å²	67.5	20%	0.198	35%	0.352	C	S	.	.	H	α-helix	trans	-68.4	-42.4	178.2	-64.6	-27.2	0	0	0	111.1	V82 I83 N209 F210 Q215 K216 A217	V82-D213 HydrophobicContact CG1-CB 4.26Å; I83-D213 HydrophobicContact CG1-CB 4.39Å; N209-D213 PolarHBondContact O-N 3.38Å; F210-D213 PolarHBondContact O-N 3.32Å; D213-Q215 VanDerWaalsContact C-N 3.34Å; D213-Q215 PolarHBondContact O-N 2.92Å; D213-K216 PolarHBondContact O-N 3.45Å; D213-K216 IonicContact OD1-NZ 3.25Å; D213-A217 WeakPolarHBondContact O-CB 3.33Å; D213-A217 PolarHBondContact O-N 3.02Å
214	L	97.9	Very high	96.1	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-56.5	-46.4	169.4	-74	171.9	0	0	0	111.8	I78 I83 V137 F150 F191 L192 F210 K216 A217 I218	I78-L214 HydrophobicContact CG1-CD2 4.37Å; I83-L214 HydrophobicContact CD1-CD2 3.89Å; I83-L214 HydrophobicContact CG1-CD2 4.31Å; I83-L214 HydrophobicContact CG2-CD2 4.06Å; V137-L214 HydrophobicContact CG1-CB 4.21Å; V137-L214 HydrophobicContact CG1-CD1 4.34Å; V137-L214 HydrophobicContact CG2-CB 4.37Å; F150-L214 HydrophobicContact CB-CD1 4.33Å; F150-L214 HydrophobicContact CD1-CD1 3.56Å; F150-L214 HydrophobicContact CE1-CD1 4.19Å; F150-L214 HydrophobicContact CG-CD1 4.1Å; F191-L214 HydrophobicContact CE2-CD1 4.21Å; F191-L214 HydrophobicContact CE2-CD2 4.01Å; F191-L214 HydrophobicContact CZ-CD1 4.18Å; F191-L214 HydrophobicContact CZ-CD2 4.49Å; L192-L214 HydrophobicContact CD1-CD2 4.23Å; F210-L214 HydrophobicContact CD1-CD1 3.87Å; F210-L214 HydrophobicContact CE1-CD1 3.59Å; F210-L214 HydrophobicContact CE1-CG 4.28Å; F210-L214 HydrophobicContact CE2-CG 4.34Å; F210-L214 HydrophobicContact CG-CD1 4.43Å; F210-L214 HydrophobicContact CZ-CD1 3.94Å; F210-L214 HydrophobicContact CZ-CD2 4.28Å; F210-L214 HydrophobicContact CZ-CG 4.17Å; F210-L214 WeakPolarHBondContact O-CB 3.47Å; F210-L214 WeakPolarHBondContact O-CG 3.47Å; F210-L214 PolarHBondContact O-N 3.01Å; L214-K216 PolarHBondContact O-N 3.21Å; L214-A217 PolarHBondContact O-N 3.21Å; L214-I218 HydrophobicContact CB-CD1 4.49Å; L214-I218 VanDerWaalsContact O-CB 3.32Å; L214-I218 WeakPolarHBondContact O-CB 3.46Å; L214-I218 VanDerWaalsContact O-CG1 3.24Å; L214-I218 WeakPolarHBondContact O-CG1 3.24Å; L214-I218 PolarHBondContact O-N 3.39Å
215	Q	97.4	Very high	96.2	Very high	76 Å²	76	63 Å²	63	36%	0.355	32%	0.316	S	S	.	.	H	α-helix	trans	-62.6	-44.3	179.4	-178.9	135.1	-1.1	0	0	111.5	V137 S211 M212 D213 F219	V137-Q215 HydrophobicContact CB-CB 4.31Å; V137-Q215 HydrophobicContact CG2-CB 3.88Å; S211-Q215 VanDerWaalsContact O-CB 3.31Å; S211-Q215 WeakPolarHBondContact O-CB 3.43Å; S211-Q215 PolarHBondContact O-N 3.32Å; M212-Q215 PolarHBondContact O-N 3.5Å; D213-Q215 VanDerWaalsContact C-N 3.34Å; D213-Q215 PolarHBondContact O-N 2.92Å; Q215-F219 HydrophobicContact CG-CD2 3.99Å; Q215-F219 WeakPolarHBondContact O-CB 3.34Å; Q215-F219 WeakPolarHBondContact O-CD2 3.44Å; Q215-F219 PolarHBondContact O-N 3.06Å
216	K	96.9	Very high	96.2	Very high	141 Å²	141	62 Å²	62	61%	0.613	31%	0.31	S	S	*	.	H	α-helix	trans	-61.2	-45.7	176.6	-72.2	168.5	-170.3	163.8	0	112	M212 D213 L214 V220	M212-K216 VanDerWaalsContact O-CG 3.31Å; M212-K216 WeakPolarHBondContact O-CG 3.4Å; M212-K216 PolarHBondContact O-N 2.95Å; D213-K216 PolarHBondContact O-N 3.45Å; D213-K216 IonicContact OD1-NZ 3.25Å; L214-K216 PolarHBondContact O-N 3.21Å; K216-V220 WeakPolarHBondContact O-CA 3.37Å; K216-V220 PolarHBondContact O-N 3.3Å
217	A	97	Very high	96.2	Very high	15 Å²	15	60.5 Å²	60.5	12%	0.124	30%	0.3	C	S	.	.	H	α-helix	trans	-68.3	-43.6	-177.6	0	0	0	0	0	112.3	A77 D80 I83 D213 L214	A77-A217 HydrophobicContact CB-CB 4.27Å; D80-A217 HydrophobicContact CB-CB 4.39Å; I83-A217 HydrophobicContact CD1-CB 3.38Å; D213-A217 WeakPolarHBondContact O-CB 3.33Å; D213-A217 PolarHBondContact O-N 3.02Å; L214-A217 PolarHBondContact O-N 3.21Å
218	I	97.1	Very high	96.3	Very high	2 Å²	2	64 Å²	64	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-72.2	-38.4	-176.2	-68.6	170	0	0	0	112	R73 I74 A77 V137 L152 F191 L214 I225	R73-I218 PolarHBondContact NH2-O 3.49Å; I74-I218 HydrophobicContact CD1-CB 4.45Å; I74-I218 HydrophobicContact CD1-CD1 4.09Å; I74-I218 HydrophobicContact CD1-CG1 4.04Å; I74-I218 HydrophobicContact CD1-CG2 3.61Å; A77-I218 HydrophobicContact CB-CB 4.47Å; A77-I218 HydrophobicContact CB-CG1 3.78Å; V137-I218 HydrophobicContact CG2-CD1 4.39Å; L152-I218 HydrophobicContact CD1-CG2 4.08Å; L152-I218 HydrophobicContact CD2-CD1 4.09Å; L152-I218 HydrophobicContact CD2-CG2 4.06Å; F191-I218 HydrophobicContact CD2-CD1 4.48Å; F191-I218 HydrophobicContact CE1-CD1 4.07Å; F191-I218 HydrophobicContact CE2-CD1 3.9Å; F191-I218 HydrophobicContact CZ-CD1 3.65Å; L214-I218 HydrophobicContact CB-CD1 4.49Å; L214-I218 VanDerWaalsContact O-CB 3.32Å; L214-I218 WeakPolarHBondContact O-CB 3.46Å; L214-I218 VanDerWaalsContact O-CG1 3.24Å; L214-I218 WeakPolarHBondContact O-CG1 3.24Å; L214-I218 PolarHBondContact O-N 3.39Å; I218-I225 HydrophobicContact CG2-CD1 3.4Å
219	F	96.4	Very high	96.3	Very high	21 Å²	21	60.2 Å²	60.2	9%	0.092	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	24.3	-175.6	-63.8	-81.4	0	0	0	113.2	L134 V137 L152 Q215 E221 S222 I225	L134-F219 VanDerWaalsContact O-CE1 3.31Å; L134-F219 WeakPolarHBondContact O-CE1 3.36Å; V137-F219 HydrophobicContact CG2-CE2 4.15Å; L152-F219 HydrophobicContact CD2-CE2 3.82Å; L152-F219 HydrophobicContact CD2-CZ 3.95Å; Q215-F219 HydrophobicContact CG-CD2 3.99Å; Q215-F219 WeakPolarHBondContact O-CB 3.34Å; Q215-F219 WeakPolarHBondContact O-CD2 3.44Å; Q215-F219 PolarHBondContact O-N 3.06Å; F219-E221 VanDerWaalsContact C-N 3.32Å; F219-E221 PolarHBondContact O-N 3.42Å; F219-S222 CarbonylContact C-O 3.49Å; F219-S222 WeakPolarHBondContact CA-O 3.38Å; F219-S222 VanDerWaalsContact CB-O 3.28Å; F219-S222 WeakPolarHBondContact CB-O 3.43Å; F219-S222 WeakPolarHBondContact CD1-O 3.49Å; F219-S222 CarbonylContact O-C 3.53Å; F219-S222 PolarHBondContact O-N 2.96Å; F219-S222 VanDerWaalsContact O-O 3.06Å; F219-I225 HydrophobicContact CD1-CD1 4.24Å; F219-I225 HydrophobicContact CD1-CG1 3.95Å; F219-I225 HydrophobicContact CE1-CB 4.27Å; F219-I225 HydrophobicContact CE1-CD1 3.95Å; F219-I225 HydrophobicContact CE1-CG1 3.69Å; F219-I225 HydrophobicContact CZ-CD1 4.37Å
220	V	92.7	Very high	96.3	Very high	114 Å²	114	59 Å²	59	69%	0.691	29%	0.291	S	S	*	.	S	Bend	trans	-57.5	-40.4	-176.9	65.8	0	0	0	0	113.3	K216	K216-V220 WeakPolarHBondContact O-CA 3.37Å; K216-V220 PolarHBondContact O-N 3.3Å
221	E	89.9	Confident	96.3	Very high	165 Å²	165	60.2 Å²	60.2	77%	0.771	30%	0.298	S	S	*	.	S	Bend	trans	-86.7	-29.7	-178.7	-67.4	174	174.4	0	0	113.8	F219	F219-E221 VanDerWaalsContact C-N 3.32Å; F219-E221 PolarHBondContact O-N 3.42Å
222	S	91.8	Very high	96.3	Very high	49 Å²	49	59.4 Å²	59.4	34%	0.343	29%	0.292	S	S	.	.			trans	-156	142.8	-171.1	170.9	0	0	0	0	110.1	F219 K224	F219-S222 CarbonylContact C-O 3.49Å; F219-S222 WeakPolarHBondContact CA-O 3.38Å; F219-S222 VanDerWaalsContact CB-O 3.28Å; F219-S222 WeakPolarHBondContact CB-O 3.43Å; F219-S222 WeakPolarHBondContact CD1-O 3.49Å; F219-S222 CarbonylContact O-C 3.53Å; F219-S222 PolarHBondContact O-N 2.96Å; F219-S222 VanDerWaalsContact O-O 3.06Å; S222-K224 WeakPolarHBondContact CB-O 3.41Å; S222-K224 PolarHBondContact O-N 3.35Å; S222-K224 PolarHBondContact OG-N 2.99Å; S222-K224 PolarHBondContact OG-O 3.3Å
223	K	94.3	Very high	96.3	Very high	183 Å²	183	54.3 Å²	54.3	80%	0.796	27%	0.267	S	S	*	.	S	Bend	trans	-65.4	-16.3	175.2	-64.6	-175.4	178	-178.3	0	113.9
224	K	96.4	Very high	96.4	Very high	60 Å²	60	52.5 Å²	52.5	26%	0.261	26%	0.257	S	S	.	.			trans	-133.2	141.8	179.7	-64	-166.9	165.3	-171.6	0	110.1	A133 L134 D135 E157 S222 F226	A133-K224 HydrophobicContact CB-CB 4.29Å; A133-K224 HydrophobicContact CB-CD 3.94Å; L134-K224 WeakPolarHBondContact O-CA 3.43Å; D135-K224 HydrophobicContact CB-CD 4.39Å; D135-K224 HydrophobicContact CB-CG 3.86Å; E157-K224 IonicContact OE2-NZ 3.51Å; E157-K224 PolarHBondContact OE2-NZ 2.92Å; S222-K224 WeakPolarHBondContact CB-O 3.41Å; S222-K224 PolarHBondContact O-N 3.35Å; S222-K224 PolarHBondContact OG-N 2.99Å; S222-K224 PolarHBondContact OG-O 3.3Å; K224-F226 HydrophobicContact CB-CE2 4.06Å; K224-F226 HydrophobicContact CB-CZ 4.19Å; K224-F226 HydrophobicContact CD-CZ 4.48Å
225	I	96.9	Very high	96.4	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.3	169.2	-66.6	176.7	0	0	0	107.5	L70 A133 L134 L152 I218 F219	L70-I225 HydrophobicContact CD1-CG2 3.97Å; L70-I225 HydrophobicContact CD2-CG2 3.55Å; L70-I225 HydrophobicContact CG-CG2 4.42Å; A133-I225 CarbonylContact C-O 3.59Å; A133-I225 WeakPolarHBondContact CA-O 3.43Å; L134-I225 HydrophobicContact CB-CB 4.42Å; L134-I225 PolarHBondContact N-O 3.47Å; L134-I225 PolarHBondContact O-N 2.93Å; L152-I225 HydrophobicContact CD1-CD1 4.04Å; I218-I225 HydrophobicContact CG2-CD1 3.4Å; F219-I225 HydrophobicContact CD1-CD1 4.24Å; F219-I225 HydrophobicContact CD1-CG1 3.95Å; F219-I225 HydrophobicContact CE1-CB 4.27Å; F219-I225 HydrophobicContact CE1-CD1 3.95Å; F219-I225 HydrophobicContact CE1-CG1 3.69Å; F219-I225 HydrophobicContact CZ-CD1 4.37Å
226	F	97.1	Very high	96.3	Very high	118 Å²	118	52.6 Å²	52.6	52%	0.518	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	141.1	178	-67	-83.2	0	0	0	110.8	W131 I132 A133 K224	W131-F226 HydrophobicContact CE3-CB 3.77Å; W131-F226 HydrophobicContact CZ3-CB 3.95Å; I132-F226 CarbonylContact O-C 3.55Å; I132-F226 VanDerWaalsContact O-CA 3.31Å; I132-F226 WeakPolarHBondContact O-CA 3.34Å; A133-F226 HydrophobicContact CB-CD1 3.85Å; A133-F226 HydrophobicContact CB-CE1 3.72Å; A133-F226 HydrophobicContact CB-CZ 4.44Å; K224-F226 HydrophobicContact CB-CE2 4.06Å; K224-F226 HydrophobicContact CB-CZ 4.19Å; K224-F226 HydrophobicContact CD-CZ 4.48Å
227	H	97.7	Very high	96	Very high	11 Å²	11	47.2 Å²	47.2	5%	0.051	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	125.8	173.7	174	59	0	0	0	108.9	P66 L70 W131 I132	P66-H227 PolarHBondContact O-CE1 3.35Å; P66-H227 PolarHBondContact O-NE2 3.27Å; P66-H227 VanDerWaalsContact O-NE2 3.15Å; L70-H227 HydrophobicContact CD1-CB 4.29Å; W131-H227 VanDerWaalsContact CE3-C 3.4Å; I132-H227 HydrophobicContact CD1-CB 4.44Å; I132-H227 HydrophobicContact CG1-CB 3.95Å; I132-H227 WeakPolarHBondContact CG1-O 3.37Å; I132-H227 PolarHBondContact N-O 2.82Å; I132-H227 PolarHBondContact O-N 3Å
228	E	97.7	Very high	95.7	Very high	74 Å²	74	51.7 Å²	51.7	35%	0.346	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	122.7	172.7	-167.6	175.5	-148.8	0	0	108.6	W131 T230	W131-E228 HydrophobicContact CD2-CB 3.94Å; W131-E228 HydrophobicContact CD2-CG 4.29Å; W131-E228 HydrophobicContact CE3-CB 3.89Å; W131-E228 VanDerWaalsContact CE3-N 3.3Å; W131-E228 HydrophobicContact CH2-CB 3.7Å; W131-E228 HydrophobicContact CZ2-CB 3.7Å; W131-E228 HydrophobicContact CZ2-CG 4.04Å; W131-E228 HydrophobicContact CZ3-CB 3.79Å; E228-T230 HydrophobicContact CG-CG2 3.96Å; E228-T230 PolarHBondContact O-N 2.98Å
229	V	97.9	Very high	95.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	105.5	175.4	-171.4	0	0	0	0	107.7	I65 F130 I132 I245	I65-V229 HydrophobicContact CD1-CG1 3.97Å; I65-V229 HydrophobicContact CD1-CG2 4.29Å; I65-V229 HydrophobicContact CG1-CG1 4.02Å; I65-V229 HydrophobicContact CG2-CG1 3.82Å; I65-V229 HydrophobicContact CG2-CG2 4.17Å; F130-V229 HydrophobicContact CD1-CB 4.39Å; F130-V229 HydrophobicContact CD2-CB 4.22Å; F130-V229 HydrophobicContact CD2-CG2 4.14Å; F130-V229 HydrophobicContact CE1-CB 4.05Å; F130-V229 HydrophobicContact CE1-CG1 4.04Å; F130-V229 HydrophobicContact CE2-CB 3.88Å; F130-V229 HydrophobicContact CE2-CG1 4.32Å; F130-V229 HydrophobicContact CE2-CG2 3.67Å; F130-V229 HydrophobicContact CG-CB 4.48Å; F130-V229 HydrophobicContact CZ-CB 3.78Å; F130-V229 HydrophobicContact CZ-CG1 3.77Å; F130-V229 HydrophobicContact CZ-CG2 3.99Å; F130-V229 PolarHBondContact N-O 3.03Å; F130-V229 PolarHBondContact O-N 3.39Å; I132-V229 HydrophobicContact CD1-CG2 4.12Å; I132-V229 HydrophobicContact CG1-CG2 4Å; I132-V229 HydrophobicContact CG2-CG2 3.91Å; V229-I245 HydrophobicContact CB-CD1 4.44Å; V229-I245 HydrophobicContact CG1-CD1 3.53Å
230	T	96.7	Very high	95.5	Very high	45 Å²	45	59.6 Å²	59.6	28%	0.276	31%	0.307	S	S	.	.			trans	-104.8	-23.8	-178.3	50.8	0	0	0	0	114	K129 E228 I245	K129-T230 HydrophobicContact CD-CG2 4.04Å; K129-T230 HydrophobicContact CG-CG2 4.38Å; E228-T230 HydrophobicContact CG-CG2 3.96Å; E228-T230 PolarHBondContact O-N 2.98Å; T230-I245 WeakPolarHBondContact O-CG1 3.29Å; T230-I245 PolarHBondContact O-N 2.9Å
231	D	97.1	Very high	95.8	Very high	27 Å²	27	55.7 Å²	55.7	14%	0.144	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	162.2	-175.6	56.4	-82.6	0	0	0	109.9	P66 I243	P66-D231 WeakPolarHBondContact CG-OD2 3.28Å; D231-I243 WeakPolarHBondContact CA-O 3.45Å
232	I	98.1	Very high	96.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	154.3	161.9	67.3	172.3	0	0	0	108.4	V63 Y64 I65 L102 V124 L165 V169 I243 I245	V63-I232 HydrophobicContact CG1-CD1 3.83Å; Y64-I232 CarbonylContact O-C 3.48Å; Y64-I232 WeakPolarHBondContact O-CA 3.31Å; I65-I232 HydrophobicContact CG1-CG2 4.12Å; L102-I232 HydrophobicContact CD1-CB 4.35Å; L102-I232 HydrophobicContact CD1-CG2 3.69Å; V124-I232 HydrophobicContact CG1-CD1 3.73Å; L165-I232 HydrophobicContact CD2-CG2 3.95Å; V169-I232 HydrophobicContact CG2-CD1 4.02Å; I232-I243 HydrophobicContact CG1-CB 3.78Å; I232-I243 HydrophobicContact CG1-CD1 4.45Å; I232-I243 HydrophobicContact CG1-CG2 4.25Å; I232-I243 PolarHBondContact N-O 3.14Å; I232-I243 WeakPolarHBondContact O-CA 3.45Å; I232-I243 WeakPolarHBondContact O-CB 3.26Å; I232-I243 PolarHBondContact O-N 2.79Å; I232-I245 HydrophobicContact CG2-CD1 4.43Å
233	V	98.4	Very high	96.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.2	176.9	178.4	0	0	0	0	109	V63 Y64 P66 H240 F241 D242	V63-V233 VanDerWaalsContact CA-O 3.29Å; V63-V233 WeakPolarHBondContact CA-O 3.34Å; Y64-V233 HydrophobicContact CD2-CB 4.11Å; Y64-V233 HydrophobicContact CE1-CB 4.31Å; Y64-V233 HydrophobicContact CE1-CG1 4.16Å; Y64-V233 HydrophobicContact CE2-CB 3.61Å; Y64-V233 HydrophobicContact CE2-CG1 4.04Å; Y64-V233 HydrophobicContact CE2-CG2 4.06Å; Y64-V233 PolarHBondContact N-O 3.43Å; Y64-V233 PolarHBondContact O-N 3.41Å; Y64-V233 WeakPolarHBondContact OH-CG1 3.5Å; P66-V233 HydrophobicContact CB-CG2 4.21Å; P66-V233 HydrophobicContact CG-CG2 3.78Å; V233-H240 HydrophobicContact CG1-CB 4.14Å; V233-F241 WeakPolarHBondContact CA-O 3.47Å; V233-D242 WeakPolarHBondContact CG2-OD1 3.47Å
234	C	98.4	Very high	96.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.9	160.4	179.2	0	0	0	0	107.9	S62 V63 V117 L120 F241 I243	S62-C234 CarbonylContact O-C 3.24Å; S62-C234 WeakPolarHBondContact O-CA 3.42Å; V63-C234 HydrophobicContact CG2-CB 4.48Å; V117-C234 HydrophobicContact CG2-CB 4.3Å; L120-C234 HydrophobicContact CD1-CB 3.84Å; C234-F241 HydrophobicContact CB-CB 4.32Å; C234-F241 PolarHBondContact N-O 3.19Å; C234-F241 WeakPolarHBondContact O-CD2 3.38Å; C234-F241 PolarHBondContact O-N 3.35Å; C234-I243 HydrophobicContact CB-CD1 4.05Å
235	K	97.8	Very high	96.2	Very high	75 Å²	75	43.8 Å²	43.8	33%	0.326	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.1	172.9	178.7	178.6	-174.4	162.6	0	109.1	T61 S62 Y64 G237 K239 H240	T61-K235 CarbonylContact C-O 3.48Å; T61-K235 WeakPolarHBondContact CA-O 3.36Å; T61-K235 WeakPolarHBondContact CG2-O 3.43Å; S62-K235 PolarHBondContact N-O 2.92Å; S62-K235 PolarHBondContact O-N 3.38Å; Y64-K235 HydrophobicContact CE1-CB 3.8Å; Y64-K235 HydrophobicContact CE1-CD 4.38Å; K235-G237 WeakPolarHBondContact CE-O 3.38Å; K235-K239 CarbonylContact C-O 3.51Å; K235-K239 WeakPolarHBondContact CA-O 3.35Å; K235-H240 WeakPolarHBondContact CD-NE2 3.29Å; K235-H240 VanDerWaalsContact CE-NE2 3.35Å; K235-H240 WeakPolarHBondContact CE-NE2 3.21Å
236	S	95.5	Very high	95.6	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.014	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	110.5	172.2	-165.6	0	0	0	0	109.9	W59 A60 T61 I113 S238 K239	W59-S236 WeakPolarHBondContact CB-OG 3.4Å; A60-S236 WeakPolarHBondContact O-CA 3.39Å; T61-S236 WeakPolarHBondContact OG1-CB 3.49Å; T61-S236 PolarHBondContact OG1-OG 3.18Å; I113-S236 WeakPolarHBondContact CD1-OG 3.49Å; S236-S238 PolarHBondContact O-N 2.99Å; S236-K239 PolarHBondContact N-O 2.75Å; S236-K239 PolarHBondContact O-N 3.22Å
237	G	91.3	Very high	95.5	Very high	28 Å²	28	47.2 Å²	47.2	29%	0.289	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	-118	-170.5	0	0	0	0	0	111.9	A60 K235	A60-G237 PolarHBondContact O-N 3.4Å; K235-G237 WeakPolarHBondContact CE-O 3.38Å
238	S	89.5	Confident	95.4	Very high	110 Å²	110	49.1 Å²	49.1	77%	0.769	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-7.2	175.1	55.8	0	0	0	0	113.9	S236 H240	S236-S238 PolarHBondContact O-N 2.99Å; S238-H240 PolarHBondContact O-ND1 3.14Å
239	K	94.3	Very high	95.3	Very high	98 Å²	98	47.7 Å²	47.7	43%	0.426	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	141.7	180	-64.6	-171.9	178.2	-174.5	0	110.8	K235 S236 F241	K235-K239 CarbonylContact C-O 3.51Å; K235-K239 WeakPolarHBondContact CA-O 3.35Å; S236-K239 PolarHBondContact N-O 2.75Å; S236-K239 PolarHBondContact O-N 3.22Å; K239-F241 HydrophobicContact CB-CD2 4.48Å; K239-F241 HydrophobicContact CB-CE2 3.7Å; K239-F241 HydrophobicContact CB-CZ 4.01Å; K239-F241 HydrophobicContact CD-CE2 4.39Å; K239-F241 HydrophobicContact CD-CZ 3.92Å
240	H	96.6	Very high	95.1	Very high	90 Å²	90	50.5 Å²	50.5	42%	0.417	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.7	175.1	-58.9	80	0	0	0	107.7	Y64 V233 K235 S238	Y64-H240 PolarHBondContact OH-CD2 3.19Å; V233-H240 HydrophobicContact CG1-CB 4.14Å; K235-H240 WeakPolarHBondContact CD-NE2 3.29Å; K235-H240 VanDerWaalsContact CE-NE2 3.35Å; K235-H240 WeakPolarHBondContact CE-NE2 3.21Å; S238-H240 PolarHBondContact O-ND1 3.14Å
241	F	97.8	Very high	95	Very high	32 Å²	32	50.8 Å²	50.8	14%	0.14	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	107.8	-179.5	-58.8	-91.6	0	0	0	108.1	I113 V117 V233 C234 K239	I113-F241 HydrophobicContact CG2-CD2 4.38Å; I113-F241 HydrophobicContact CG2-CE2 3.46Å; I113-F241 VanDerWaalsContact CG2-CE2 3.46Å; I113-F241 HydrophobicContact CG2-CZ 3.54Å; V117-F241 HydrophobicContact CG1-CB 4.03Å; V117-F241 HydrophobicContact CG1-CD1 4.26Å; V117-F241 HydrophobicContact CG1-CG 4.33Å; V117-F241 HydrophobicContact CG2-CB 3.78Å; V117-F241 HydrophobicContact CG2-CD1 3.91Å; V117-F241 HydrophobicContact CG2-CD2 3.82Å; V117-F241 HydrophobicContact CG2-CE1 4.41Å; V117-F241 HydrophobicContact CG2-CE2 4.35Å; V117-F241 HydrophobicContact CG2-CG 3.58Å; V233-F241 WeakPolarHBondContact CA-O 3.47Å; C234-F241 HydrophobicContact CB-CB 4.32Å; C234-F241 PolarHBondContact N-O 3.19Å; C234-F241 WeakPolarHBondContact O-CD2 3.38Å; C234-F241 PolarHBondContact O-N 3.35Å; K239-F241 HydrophobicContact CB-CD2 4.48Å; K239-F241 HydrophobicContact CB-CE2 3.7Å; K239-F241 HydrophobicContact CB-CZ 4.01Å; K239-F241 HydrophobicContact CD-CE2 4.39Å; K239-F241 HydrophobicContact CD-CZ 3.92Å
242	D	97	Very high	94.9	Very high	93 Å²	93	52.4 Å²	52.4	50%	0.497	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	131	177.4	-53	-34.8	0	0	0	109.7	R121 V233	R121-D242 PolarHBondContact NH1-O 2.75Å; R121-D242 VanDerWaalsContact NH1-O 3.11Å; V233-D242 WeakPolarHBondContact CG2-OD1 3.47Å
243	I	97.6	Very high	94.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	92.8	-174.5	-50.6	-177.9	0	0	0	107.5	V117 L120 R121 V124 D231 I232 C234	V117-I243 HydrophobicContact CG1-CD1 4.38Å; L120-I243 HydrophobicContact CB-CD1 3.45Å; L120-I243 VanDerWaalsContact CB-CD1 3.45Å; L120-I243 HydrophobicContact CD1-CD1 3.81Å; L120-I243 HydrophobicContact CG-CD1 4.28Å; R121-I243 VanDerWaalsContact CA-CG2 3.49Å; R121-I243 HydrophobicContact CB-CG2 3.93Å; R121-I243 HydrophobicContact CG-CG2 4.12Å; V124-I243 HydrophobicContact CG2-CG2 3.59Å; D231-I243 WeakPolarHBondContact CA-O 3.45Å; I232-I243 HydrophobicContact CG1-CB 3.78Å; I232-I243 HydrophobicContact CG1-CD1 4.45Å; I232-I243 HydrophobicContact CG1-CG2 4.25Å; I232-I243 PolarHBondContact N-O 3.14Å; I232-I243 WeakPolarHBondContact O-CA 3.45Å; I232-I243 WeakPolarHBondContact O-CB 3.26Å; I232-I243 PolarHBondContact O-N 2.79Å; C234-I243 HydrophobicContact CB-CD1 4.05Å
244	N	95.2	Very high	94.4	Very high	109 Å²	109	60.5 Å²	60.5	58%	0.583	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	138.7	-178.8	-62.4	-35.5	0	0	0	111.9
245	I	92.1	Very high	94	Very high	5 Å²	5	65.5 Å²	65.5	3%	0.026	35%	0.353	C	S	.	.			trans	-92.3	146.4	165.3	-27.4	-179.1	0	0	0	107.1	F127 F130 V229 T230 I232	F127-I245 HydrophobicContact CB-CG2 3.14Å; F127-I245 HydrophobicContact CG-CG2 4.29Å; F127-I245 WeakPolarHBondContact O-CG2 3.4Å; F130-I245 HydrophobicContact CE1-CD1 4.13Å; V229-I245 HydrophobicContact CB-CD1 4.44Å; V229-I245 HydrophobicContact CG1-CD1 3.53Å; T230-I245 WeakPolarHBondContact O-CG1 3.29Å; T230-I245 PolarHBondContact O-N 2.9Å; I232-I245 HydrophobicContact CG2-CD1 4.43Å
246	L	83.6	Confident	93.7	Very high	144 Å²	144	64.6 Å²	64.6	75%	0.754	36%	0.356	S	S	*	.			trans	-71.9	0	-171.2	-75.3	-176.6	0	0	0	113.7	K125 F127 G128 K129	K125-L246 HydrophobicContact CG-CD1 4.03Å; K125-L246 HydrophobicContact CG-CG 4.42Å; K125-L246 WeakPolarHBondContact O-CD1 3.26Å; K125-L246 VanDerWaalsContact O-CG 3.26Å; K125-L246 WeakPolarHBondContact O-CG 3.23Å; F127-L246 PolarHBondContact O-N 2.78Å; G128-L246 CarbonylContact C-O 3.58Å; G128-L246 VanDerWaalsContact C-O 3.25Å; G128-L246 WeakPolarHBondContact CA-O 3.16Å; K129-L246 PolarHBondContact N-O 2.99Å

Retrieved 246 of 246 residues in 84.3 ms (Link to these results)

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