A0A5K4F1Q3_SCHMA Loading...

Methionine aminopeptidase

Cotranslationally removes the N-terminal methionine from nascent proteins. The N-terminal methionine is often cleaved when the second residue in the primary sequence is small and uncharged (Met-Ala-, Cys, Gly, Pro, Ser, Thr, or Val).

AlphaFold DB , UniProt , Accession A0A5K4F1Q3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 317 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	39.7	Very low	221 Å²	221	166.6 Å²	166.6	100%	1.089	83%	0.825	S	S	*	*				0	102	0	-156	169	83.7	0	0	107	L3	M1-L3 PolarHBondContact O-N 3.07Å
2	V	31.8	Very low	41.2	Very low	142 Å²	142	162.7 Å²	162.7	86%	0.861	81%	0.809	S	S	*	*			trans	-78.7	105.2	-173.7	177.9	0	0	0	0	107.8
3	L	33.3	Very low	44.6	Very low	144 Å²	144	166.3 Å²	166.3	75%	0.754	81%	0.808	S	S	*	*			trans	-73.7	126	174.3	-88.2	150	0	0	0	109.5	M1 R5	M1-L3 PolarHBondContact O-N 3.07Å; L3-R5 PolarHBondContact O-N 3Å
4	F	36.3	Very low	47.9	Very low	206 Å²	206	160.6 Å²	160.6	90%	0.904	78%	0.777	S	S	*	*			trans	-52.1	98.4	179.1	-83.1	-102.2	0	0	0	112.2	G6	F4-G6 PolarHBondContact O-N 2.85Å
5	R	37.3	Very low	50.8	Low	257 Å²	257	152.1 Å²	152.1	97%	0.97	74%	0.737	S	S	*	*			trans	-87	36.6	165.2	-86	-169	173.3	-168.6	-1.3	112.5	L3	L3-R5 PolarHBondContact O-N 3Å
6	G	35.9	Very low	53.4	Low	55 Å²	55	150.3 Å²	150.3	57%	0.567	73%	0.727	S	S	*	*			trans	-127.4	78.3	-173.8	0	0	0	0	0	112.2	F4	F4-G6 PolarHBondContact O-N 2.85Å
7	L	41.2	Very low	55.8	Low	170 Å²	170	142.7 Å²	142.7	89%	0.89	69%	0.69	S	S	*	*	S	Bend	trans	-158.4	-2.3	160	-106.6	157.6	0	0	0	116.1
8	L	47.1	Very low	57.8	Low	124 Å²	124	138.7 Å²	138.7	65%	0.649	68%	0.678	S	S	*	*			trans	-108.4	78.2	165.8	-88.1	114.8	0	0	0	110.6	I10 L15	L8-I10 VanDerWaalsContact C-N 3.3Å; L8-I10 HydrophobicContact CB-CG1 4.49Å; L8-I10 PolarHBondContact O-N 3.35Å; L8-L15 HydrophobicContact CD2-CD2 3.89Å
9	K	43.6	Very low	59.7	Low	203 Å²	203	135.6 Å²	135.6	88%	0.883	69%	0.686	S	S	*	*			trans	-71.5	91.4	160.4	-80.9	-175.7	176.6	179.3	0	107.7	H11	K9-H11 PolarHBondContact O-N 2.95Å
10	I	46.8	Very low	61.5	Low	135 Å²	135	131 Å²	131	69%	0.692	66%	0.66	S	S	*	*			trans	-71.3	75	173.7	-52.6	172.5	0	0	0	108.4	L8	L8-I10 VanDerWaalsContact C-N 3.3Å; L8-I10 HydrophobicContact CB-CG1 4.49Å; L8-I10 PolarHBondContact O-N 3.35Å
11	H	45.1	Very low	63.1	Low	176 Å²	176	129.8 Å²	129.8	82%	0.815	65%	0.652	S	S	*	*			trans	-128.6	3.5	174.5	-95.1	14.1	0	0	0	114.6	K9	K9-H11 PolarHBondContact O-N 2.95Å
12	N	58.1	Low	65.9	Low	119 Å²	119	119.2 Å²	119.2	64%	0.636	60%	0.6	S	S	*	*	S	Bend	trans	-138.4	154.3	177.3	-85	-32.7	0	0	0	111.1	F14	N12-F14 PolarHBondContact O-N 2.62Å
13	R	84.9	Confident	68.9	Low	210 Å²	210	113.7 Å²	113.7	79%	0.792	57%	0.567	S	S	*	*	S	Bend	trans	-56.8	-1.1	175.9	-65	179.2	-179.7	-179.7	-0.2	114.1	P23 S24	R13-P23 WeakPolarHBondContact O-CA 3.32Å; R13-S24 PolarHBondContact O-N 2.81Å; R13-S24 PolarHBondContact O-OG 2.88Å
14	F	90.8	Very high	71.7	Confident	87 Å²	87	110.4 Å²	110.4	38%	0.382	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.7	145.8	-172.9	-59.6	-89.1	0	0	0	110.7	N12 E21 I22 P23	N12-F14 PolarHBondContact O-N 2.62Å; F14-E21 HydrophobicContact CB-CB 4.3Å; F14-E21 HydrophobicContact CD1-CB 4.23Å; F14-E21 HydrophobicContact CG-CB 4.48Å; F14-I22 CarbonylContact C-O 3.53Å; F14-I22 VanDerWaalsContact CA-O 3.23Å; F14-I22 WeakPolarHBondContact CA-O 3.3Å; F14-P23 HydrophobicContact CD1-CB 4.48Å; F14-P23 HydrophobicContact CD1-CG 4.11Å; F14-P23 HydrophobicContact CE1-CB 4.43Å; F14-P23 HydrophobicContact CE1-CG 3.84Å
15	L	91.4	Very high	74.5	Confident	33 Å²	33	106.3 Å²	106.3	17%	0.173	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138.5	169.8	-60.2	174.1	0	0	0	108.1	L8 I22 L28	L8-L15 HydrophobicContact CD2-CD2 3.89Å; L15-I22 PolarHBondContact N-O 2.71Å; L15-I22 PolarHBondContact O-N 3.28Å; L15-L28 HydrophobicContact CD1-CD1 3.46Å; L15-L28 VanDerWaalsContact CD1-CD1 3.46Å; L15-L28 HydrophobicContact CD1-CG 4.17Å
16	H	93	Very high	77.3	Confident	123 Å²	123	94.2 Å²	94.2	57%	0.569	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	115.6	177.7	-65.8	-94	0	0	0	110.3	R20 E21	H16-R20 CarbonylContact C-O 3.56Å; H16-R20 VanDerWaalsContact CA-O 3.29Å; H16-R20 WeakPolarHBondContact CA-O 3.38Å; H16-E21 VanDerWaalsContact CE1-CG 3.43Å; H16-E21 WeakPolarHBondContact CE1-CG 3.38Å; H16-E21 IonicContact CE1-OE1 3.39Å; H16-E21 PolarHBondContact CE1-OE1 3.5Å; H16-E21 IonicContact ND1-OE1 3.21Å; H16-E21 IonicContact NE2-OE1 3.34Å
17	I	93.2	Very high	80	Confident	21 Å²	21	94.5 Å²	94.5	11%	0.108	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	122.6	-178.9	-57	-176.1	0	0	0	108.5	G19 R20 I22 L28 I32 Y95 L99	I17-G19 PolarHBondContact O-N 3.3Å; I17-R20 PolarHBondContact N-O 2.81Å; I17-R20 WeakPolarHBondContact O-CB 3.47Å; I17-R20 PolarHBondContact O-N 2.7Å; I17-I22 HydrophobicContact CB-CD1 4.28Å; I17-I22 HydrophobicContact CD1-CD1 4.09Å; I17-I22 HydrophobicContact CG1-CD1 4.43Å; I17-L28 HydrophobicContact CD1-CD1 4.26Å; I17-L28 HydrophobicContact CD1-CD2 4.01Å; I17-I32 HydrophobicContact CD1-CG2 3.63Å; I17-I32 HydrophobicContact CG2-CD1 4.26Å; I17-Y95 HydrophobicContact CD1-CE2 4.13Å; I17-L99 HydrophobicContact CB-CD2 4.47Å; I17-L99 HydrophobicContact CG2-CD2 4.34Å; I17-L99 HydrophobicContact CG2-CG 4.18Å
18	C	93.2	Very high	82.7	Confident	70 Å²	70	88 Å²	88	47%	0.473	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	36.5	178.7	-61.6	0	0	0	0	114	R20 L99	C18-R20 VanDerWaalsContact C-N 3.33Å; C18-R20 PolarHBondContact O-N 3.44Å; C18-L99 HydrophobicContact CB-CD1 3.66Å; C18-L99 HydrophobicContact CB-CG 4.3Å
19	G	93.5	Very high	85	Confident	81 Å²	81	82.1 Å²	82.1	84%	0.835	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	6	-178.6	0	0	0	0	0	115.4	I17	I17-G19 PolarHBondContact O-N 3.3Å
20	R	95.8	Very high	87.3	Confident	42 Å²	42	73.3 Å²	73.3	16%	0.158	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	146.3	175.3	-65.5	-67.9	-169	-178.1	-3.7	111.8	H16 I17 C18 D82 D83 F86 L99	H16-R20 CarbonylContact C-O 3.56Å; H16-R20 VanDerWaalsContact CA-O 3.29Å; H16-R20 WeakPolarHBondContact CA-O 3.38Å; I17-R20 PolarHBondContact N-O 2.81Å; I17-R20 WeakPolarHBondContact O-CB 3.47Å; I17-R20 PolarHBondContact O-N 2.7Å; C18-R20 VanDerWaalsContact C-N 3.33Å; C18-R20 PolarHBondContact O-N 3.44Å; R20-D82 IonicContact CZ-OD2 2.73Å; R20-D82 IonicContact NH2-OD2 3.13Å; R20-D82 PolarHBondContact NH2-OD2 2.93Å; R20-D83 IonicContact CZ-OD1 2.87Å; R20-D83 IonicContact NH1-OD1 2.88Å; R20-D83 PolarHBondContact NH1-OD1 3.01Å; R20-D83 IonicContact NH2-OD1 2.71Å; R20-D83 PolarHBondContact NH2-OD1 2.98Å; R20-F86 HydrophobicContact CB-CD2 4.38Å; R20-F86 HydrophobicContact CB-CE1 4.37Å; R20-F86 HydrophobicContact CB-CE2 3.58Å; R20-F86 HydrophobicContact CB-CZ 3.58Å; R20-F86 HydrophobicContact CG-CD2 4.05Å; R20-F86 HydrophobicContact CG-CE2 3.75Å; R20-F86 HydrophobicContact CG-CZ 4.04Å; R20-L99 HydrophobicContact CB-CD2 4.07Å; R20-L99 HydrophobicContact CG-CD1 4.22Å; R20-L99 HydrophobicContact CG-CD2 4.13Å
21	E	95.5	Very high	89.5	Confident	106 Å²	106	69.7 Å²	69.7	50%	0.495	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.9	172.8	-73.7	-176.2	172.7	0	0	110.7	F14 H16 F86	F14-E21 HydrophobicContact CB-CB 4.3Å; F14-E21 HydrophobicContact CD1-CB 4.23Å; F14-E21 HydrophobicContact CG-CB 4.48Å; H16-E21 VanDerWaalsContact CE1-CG 3.43Å; H16-E21 WeakPolarHBondContact CE1-CG 3.38Å; H16-E21 IonicContact CE1-OE1 3.39Å; H16-E21 PolarHBondContact CE1-OE1 3.5Å; H16-E21 IonicContact ND1-OE1 3.21Å; H16-E21 IonicContact NE2-OE1 3.34Å; E21-F86 WeakPolarHBondContact O-CZ 3.34Å
22	I	95.8	Very high	91.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.5	-177.3	-58.7	178.8	0	0	0	109	F14 L15 I17 S24 I26 F86 L90 Y95 L99	F14-I22 CarbonylContact C-O 3.53Å; F14-I22 VanDerWaalsContact CA-O 3.23Å; F14-I22 WeakPolarHBondContact CA-O 3.3Å; L15-I22 PolarHBondContact N-O 2.71Å; L15-I22 PolarHBondContact O-N 3.28Å; I17-I22 HydrophobicContact CB-CD1 4.28Å; I17-I22 HydrophobicContact CD1-CD1 4.09Å; I17-I22 HydrophobicContact CG1-CD1 4.43Å; I22-S24 PolarHBondContact O-N 3.17Å; I22-I26 HydrophobicContact CG2-CB 4.08Å; I22-I26 HydrophobicContact CG2-CD1 4.25Å; I22-I26 HydrophobicContact CG2-CG2 4.31Å; I22-F86 HydrophobicContact CD1-CE2 4.36Å; I22-F86 HydrophobicContact CG1-CE2 3.99Å; I22-F86 HydrophobicContact CG1-CZ 3.98Å; I22-L90 HydrophobicContact CG2-CD2 4.36Å; I22-Y95 HydrophobicContact CD1-CD2 3.92Å; I22-Y95 HydrophobicContact CD1-CE2 3.39Å; I22-L99 HydrophobicContact CD1-CD2 3.74Å
23	P	95.3	Very high	93.3	Very high	26 Å²	26	59.3 Å²	59.3	17%	0.169	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.1	134.3	174.9	-28	32.8	0	0	0	112.5	R13 F14 N25 I26	R13-P23 WeakPolarHBondContact O-CA 3.32Å; F14-P23 HydrophobicContact CD1-CB 4.48Å; F14-P23 HydrophobicContact CD1-CG 4.11Å; F14-P23 HydrophobicContact CE1-CB 4.43Å; F14-P23 HydrophobicContact CE1-CG 3.84Å; P23-N25 WeakPolarHBondContact CB-OD1 3.41Å; P23-N25 PolarHBondContact O-N 3.21Å; P23-I26 HydrophobicContact CB-CD1 4.36Å; P23-I26 HydrophobicContact CB-CG1 4.34Å; P23-I26 HydrophobicContact CG-CD1 4.18Å; P23-I26 PolarHBondContact O-N 2.94Å
24	S	92.8	Very high	93.2	Very high	74 Å²	74	56 Å²	56	52%	0.517	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-11.1	-175.6	60.5	0	0	0	0	114.4	R13 I22	R13-S24 PolarHBondContact O-N 2.81Å; R13-S24 PolarHBondContact O-OG 2.88Å; I22-S24 PolarHBondContact O-N 3.17Å
25	N	93.5	Very high	92.8	Very high	120 Å²	120	59.4 Å²	59.4	64%	0.642	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-9.2	174	68.2	-51.9	0	0	0	113.5	P23 P27	P23-N25 WeakPolarHBondContact CB-OD1 3.41Å; P23-N25 PolarHBondContact O-N 3.21Å; N25-P27 WeakPolarHBondContact O-CD 3.43Å
26	I	96.2	Very high	92.3	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.021	35%	0.35	C	S	.	.	S	Bend	trans	-80.1	119.1	172.7	-66.6	178.5	0	0	0	108.1	I22 P23 L28 L90	I22-I26 HydrophobicContact CG2-CB 4.08Å; I22-I26 HydrophobicContact CG2-CD1 4.25Å; I22-I26 HydrophobicContact CG2-CG2 4.31Å; P23-I26 HydrophobicContact CB-CD1 4.36Å; P23-I26 HydrophobicContact CB-CG1 4.34Å; P23-I26 HydrophobicContact CG-CD1 4.18Å; P23-I26 PolarHBondContact O-N 2.94Å; I26-L28 PolarHBondContact O-N 3.01Å; I26-L90 HydrophobicContact CD1-CB 4.19Å; I26-L90 HydrophobicContact CD1-CD2 3.63Å; I26-L90 HydrophobicContact CD1-CG 4.46Å
27	P	94.1	Very high	91.8	Very high	60 Å²	60	62.1 Å²	62.1	39%	0.39	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-59.3	132.9	178.3	-26.2	36.9	0	0	0	111.9	N25 G142	N25-P27 WeakPolarHBondContact O-CD 3.43Å; P27-G142 VanDerWaalsContact CB-CA 3.47Å
28	L	96	Very high	91.3	Very high	34 Å²	34	63.5 Å²	63.5	18%	0.178	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-91.9	145.6	177.8	-62.8	-176.9	0	0	0	111.3	L15 I17 I26 I32 T33 Y95 Y140	L15-L28 HydrophobicContact CD1-CD1 3.46Å; L15-L28 VanDerWaalsContact CD1-CD1 3.46Å; L15-L28 HydrophobicContact CD1-CG 4.17Å; I17-L28 HydrophobicContact CD1-CD1 4.26Å; I17-L28 HydrophobicContact CD1-CD2 4.01Å; I26-L28 PolarHBondContact O-N 3.01Å; L28-I32 HydrophobicContact CB-CG2 4.41Å; L28-I32 HydrophobicContact CD1-CG2 3.84Å; L28-T33 HydrophobicContact CB-CG2 3.62Å; L28-T33 HydrophobicContact CD1-CG2 4.24Å; L28-Y95 HydrophobicContact CD2-CD2 3.54Å; L28-Y95 HydrophobicContact CD2-CE2 3.52Å; L28-Y140 WeakPolarHBondContact O-CE1 3.3Å
29	P	95.7	Very high	90.9	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-74.7	155	175.5	29.6	-33	0	0	0	111.6	Y31 I32 T33 Y95 Y140	P29-Y31 VanDerWaalsContact C-N 3.27Å; P29-Y31 HydrophobicContact CB-CD1 3.94Å; P29-Y31 HydrophobicContact CB-CE1 3.41Å; P29-Y31 VanDerWaalsContact CB-CE1 3.41Å; P29-Y31 HydrophobicContact CB-CE2 4.37Å; P29-Y31 HydrophobicContact CG-CD1 4.26Å; P29-Y31 HydrophobicContact CG-CD2 4.31Å; P29-Y31 HydrophobicContact CG-CE1 3.6Å; P29-Y31 HydrophobicContact CG-CE2 3.66Å; P29-Y31 VanDerWaalsContact CG-OH 3.28Å; P29-Y31 WeakPolarHBondContact CG-OH 3.39Å; P29-Y31 PolarHBondContact O-N 3.18Å; P29-Y31 VanDerWaalsContact O-N 3.15Å; P29-I32 HydrophobicContact CG-CG1 3.94Å; P29-I32 WeakPolarHBondContact O-CB 3.35Å; P29-I32 PolarHBondContact O-N 3Å; P29-T33 PolarHBondContact O-N 3.22Å; P29-Y95 VanDerWaalsContact CD-CD1 3.5Å; P29-Y95 HydrophobicContact CG-CD1 3.66Å; P29-Y95 HydrophobicContact CG-CE1 3.61Å; P29-Y95 HydrophobicContact CG-CG 4.38Å; P29-Y140 HydrophobicContact CB-CD1 3.82Å; P29-Y140 HydrophobicContact CB-CD2 4.25Å; P29-Y140 HydrophobicContact CB-CE1 4.1Å; P29-Y140 HydrophobicContact CB-CG 3.89Å; P29-Y140 HydrophobicContact CG-CD1 4.42Å
30	P	93.3	Very high	90.6	Very high	19 Å²	19	64.8 Å²	64.8	12%	0.123	35%	0.348	C	S	.	.	H	α-helix	trans	-61.1	-27.1	-173.1	-30.8	40.7	0	0	0	115.9	I32 T33 N34 V36 L38	P30-I32 PolarHBondContact O-N 3.29Å; P30-T33 PolarHBondContact O-N 3.25Å; P30-N34 WeakPolarHBondContact O-CA 3.48Å; P30-N34 PolarHBondContact O-N 3.33Å; P30-V36 HydrophobicContact CB-CB 4.35Å; P30-V36 WeakPolarHBondContact CB-O 3.47Å; P30-L38 HydrophobicContact CB-CD1 4.22Å; P30-L38 HydrophobicContact CB-CG 4.45Å; P30-L38 HydrophobicContact CG-CD1 3.66Å; P30-L38 HydrophobicContact CG-CG 4.35Å
31	Y	93	Very high	90.3	Very high	59 Å²	59	68.2 Å²	68.2	23%	0.231	38%	0.378	C	S	.	.	H	α-helix	trans	-70.9	-14	175.7	58.3	-100.1	0	0	0	113.7	P29 S97 Y101 H145	P29-Y31 VanDerWaalsContact C-N 3.27Å; P29-Y31 HydrophobicContact CB-CD1 3.94Å; P29-Y31 HydrophobicContact CB-CE1 3.41Å; P29-Y31 VanDerWaalsContact CB-CE1 3.41Å; P29-Y31 HydrophobicContact CB-CE2 4.37Å; P29-Y31 HydrophobicContact CG-CD1 4.26Å; P29-Y31 HydrophobicContact CG-CD2 4.31Å; P29-Y31 HydrophobicContact CG-CE1 3.6Å; P29-Y31 HydrophobicContact CG-CE2 3.66Å; P29-Y31 VanDerWaalsContact CG-OH 3.28Å; P29-Y31 WeakPolarHBondContact CG-OH 3.39Å; P29-Y31 PolarHBondContact O-N 3.18Å; P29-Y31 VanDerWaalsContact O-N 3.15Å; Y31-S97 VanDerWaalsContact OH-C 3.29Å; Y31-S97 VanDerWaalsContact OH-CA 3.23Å; Y31-S97 WeakPolarHBondContact OH-CA 3.21Å; Y31-S97 PolarHBondContact OH-O 3.43Å; Y31-Y101 AromaticContact CD1-CD2 3.77Å; Y31-Y101 HydrophobicContact CD1-CD2 3.77Å; Y31-Y101 HydrophobicContact CD1-CE2 4.13Å; Y31-Y101 HydrophobicContact CD2-CD2 4.04Å; Y31-Y101 AromaticContact CE1-CD2 3.67Å; Y31-Y101 HydrophobicContact CE1-CD2 3.67Å; Y31-Y101 HydrophobicContact CE1-CE2 4.26Å; Y31-Y101 AromaticContact CE2-CD2 3.96Å; Y31-Y101 HydrophobicContact CE2-CD2 3.96Å; Y31-Y101 HydrophobicContact CE2-CG 4.47Å; Y31-Y101 AromaticContact CG-CD2 3.95Å; Y31-Y101 HydrophobicContact CG-CD2 3.95Å; Y31-Y101 AromaticContact CZ-CD2 3.78Å; Y31-H145 AromaticContact CE1-CE1 3.7Å; Y31-H145 AromaticContact CE1-NE2 3.97Å
32	I	94	Very high	90.2	Very high	37 Å²	37	67.6 Å²	67.6	19%	0.19	38%	0.382	C	S	.	.	H	α-helix	trans	-90.5	-44.7	170.8	-64.7	-61.5	0	0	0	110.3	I17 L28 P29 P30 N34 Y95	I17-I32 HydrophobicContact CD1-CG2 3.63Å; I17-I32 HydrophobicContact CG2-CD1 4.26Å; L28-I32 HydrophobicContact CB-CG2 4.41Å; L28-I32 HydrophobicContact CD1-CG2 3.84Å; P29-I32 HydrophobicContact CG-CG1 3.94Å; P29-I32 WeakPolarHBondContact O-CB 3.35Å; P29-I32 PolarHBondContact O-N 3Å; P30-I32 PolarHBondContact O-N 3.29Å; I32-N34 VanDerWaalsContact C-N 3.33Å; I32-Y95 HydrophobicContact CG1-CE1 4.49Å; I32-Y95 WeakPolarHBondContact CG1-OH 3.34Å
33	T	89.1	Confident	90.2	Very high	39 Å²	39	69.2 Å²	69.2	24%	0.239	39%	0.39	C	S	.	.	H	α-helix	trans	-77.1	-22.2	-175.1	66.7	0	0	0	0	112.7	L28 P29 P30 E35	L28-T33 HydrophobicContact CB-CG2 3.62Å; L28-T33 HydrophobicContact CD1-CG2 4.24Å; P29-T33 PolarHBondContact O-N 3.22Å; P30-T33 PolarHBondContact O-N 3.25Å; T33-E35 PolarHBondContact O-N 3.26Å; T33-E35 WeakPolarHBondContact OG1-CB 3.11Å; T33-E35 WeakPolarHBondContact OG1-CG 3.45Å; T33-E35 PolarHBondContact OG1-N 3.48Å
34	N	82.3	Confident	90.2	Very high	140 Å²	140	68.9 Å²	68.9	75%	0.749	39%	0.39	S	S	*	.			trans	55.7	24.8	-170.7	-60.7	-62	0	0	0	113.2	P30 I32	P30-N34 WeakPolarHBondContact O-CA 3.48Å; P30-N34 PolarHBondContact O-N 3.33Å; I32-N34 VanDerWaalsContact C-N 3.33Å
35	E	81.3	Confident	90.4	Very high	159 Å²	159	70 Å²	70	74%	0.743	39%	0.393	S	S	*	.	S	Bend	trans	-83.1	-30.8	-177.1	-72.1	174.2	170.3	0	0	112.8	T33	T33-E35 PolarHBondContact O-N 3.26Å; T33-E35 WeakPolarHBondContact OG1-CB 3.11Å; T33-E35 WeakPolarHBondContact OG1-CG 3.45Å; T33-E35 PolarHBondContact OG1-N 3.48Å
36	V	81.4	Confident	90.6	Very high	84 Å²	84	65 Å²	65	51%	0.509	37%	0.366	S	S	.	.			trans	-143	129	-175.7	-173.8	0	0	0	0	110.1	P30 L38	P30-V36 HydrophobicContact CB-CB 4.35Å; P30-V36 WeakPolarHBondContact CB-O 3.47Å; V36-L38 HydrophobicContact CG1-CD2 3.62Å; V36-L38 HydrophobicContact CG1-CG 4.03Å; V36-L38 PolarHBondContact O-N 2.68Å
37	D	81.9	Confident	90.6	Very high	129 Å²	129	67.6 Å²	67.6	69%	0.69	38%	0.384	S	S	*	.			trans	-81.3	113.7	167.2	-176	6.4	0	0	0	109.4	T39	D37-T39 WeakPolarHBondContact OD1-CB 3.32Å; D37-T39 PolarHBondContact OD1-N 2.99Å; D37-T39 PolarHBondContact OD1-OG1 3.34Å
38	L	82.5	Confident	90.7	Very high	50 Å²	50	71.5 Å²	71.5	26%	0.262	40%	0.402	S	S	.	.			trans	-104.9	15.8	178.6	-66	-175.9	0	0	0	112.9	P30 V36 Q40 P227 F228	P30-L38 HydrophobicContact CB-CD1 4.22Å; P30-L38 HydrophobicContact CB-CG 4.45Å; P30-L38 HydrophobicContact CG-CD1 3.66Å; P30-L38 HydrophobicContact CG-CG 4.35Å; V36-L38 HydrophobicContact CG1-CD2 3.62Å; V36-L38 HydrophobicContact CG1-CG 4.03Å; V36-L38 PolarHBondContact O-N 2.68Å; L38-Q40 PolarHBondContact O-N 2.84Å; L38-Q40 PolarHBondContact O-NE2 3.47Å; L38-P227 HydrophobicContact CD1-CB 3.95Å; L38-P227 VanDerWaalsContact CD1-O 3.22Å; L38-P227 WeakPolarHBondContact CD1-O 3.49Å; L38-F228 HydrophobicContact CB-CB 4.2Å
39	T	85.4	Confident	90.8	Very high	115 Å²	115	77 Å²	77	71%	0.706	42%	0.42	S	S	*	.			trans	-57.4	123.8	175.8	-55.7	0	0	0	0	110.3	D37	D37-T39 WeakPolarHBondContact OD1-CB 3.32Å; D37-T39 PolarHBondContact OD1-N 2.99Å; D37-T39 PolarHBondContact OD1-OG1 3.34Å
40	Q	87.9	Confident	90.8	Very high	63 Å²	63	78.6 Å²	78.6	29%	0.294	43%	0.429	S	S	.	.			trans	-101.4	133.7	-180	-61.2	-55	-64.2	0	0	111	L38 F228 P232	L38-Q40 PolarHBondContact O-N 2.84Å; L38-Q40 PolarHBondContact O-NE2 3.47Å; Q40-F228 HydrophobicContact CG-CD1 3.46Å; Q40-F228 VanDerWaalsContact CG-CD1 3.46Å; Q40-F228 HydrophobicContact CG-CD2 4.34Å; Q40-F228 HydrophobicContact CG-CE1 3.24Å; Q40-F228 HydrophobicContact CG-CE2 4.13Å; Q40-F228 HydrophobicContact CG-CG 4.03Å; Q40-F228 HydrophobicContact CG-CZ 3.6Å; Q40-P232 HydrophobicContact CB-CG 4.37Å; Q40-P232 WeakPolarHBondContact O-CD 3.12Å; Q40-P232 WeakPolarHBondContact O-CG 3.44Å
41	S	88.9	Confident	91	Very high	114 Å²	114	78.8 Å²	78.8	80%	0.797	43%	0.429	S	S	*	.	S	Bend	trans	-97.4	-16.5	173.6	56.8	0	0	0	0	113.5
42	T	93.7	Very high	91.2	Very high	94 Å²	94	79.5 Å²	79.5	58%	0.577	44%	0.443	S	S	*	.	S	Bend	trans	-130.6	162.1	179.3	58	0	0	0	0	110.6	A44	T42-A44 PolarHBondContact O-N 3.29Å
43	I	96.8	Very high	91.4	Very high	34 Å²	34	79.6 Å²	79.6	17%	0.174	44%	0.442	C	S	.	.			trans	-65.2	122.1	175	-52.7	172.3	0	0	0	108.7	Y198 P232 P233 T248 H254	I43-Y198 HydrophobicContact CD1-CE2 3.83Å; I43-P232 HydrophobicContact CG1-CB 4.03Å; I43-P233 HydrophobicContact CD1-CB 3.7Å; I43-P233 HydrophobicContact CD1-CG 4.15Å; I43-P233 HydrophobicContact CG1-CB 3.91Å; I43-P233 HydrophobicContact CG1-CG 4.32Å; I43-P233 HydrophobicContact CG2-CG 4.49Å; I43-T248 HydrophobicContact CD1-CG2 3.55Å; I43-H254 HydrophobicContact CG2-CB 4.35Å; I43-H254 VanDerWaalsContact CG2-CE1 3.48Å; I43-H254 WeakPolarHBondContact CG2-CE1 3.39Å
44	A	95.1	Very high	91.8	Very high	19 Å²	19	77.8 Å²	77.8	16%	0.157	43%	0.431	C	S	.	.			trans	-76.9	133.6	179.7	0	0	0	0	0	110.9	T42 F228	T42-A44 PolarHBondContact O-N 3.29Å; A44-F228 HydrophobicContact CB-CE1 4.11Å; A44-F228 HydrophobicContact CB-CZ 4.06Å
45	V	97.1	Very high	92.6	Very high	96 Å²	96	77.1 Å²	77.1	58%	0.582	42%	0.422	S	S	*	.	B	Isolated β-bridge	trans	-88.5	108.3	165.2	178.7	0	0	0	0	107.3
46	Q	96.8	Very high	93.4	Very high	15 Å²	15	74.2 Å²	74.2	7%	0.07	40%	0.404	C	S	.	.			trans	-73	143.9	-178.1	-59.1	-61.2	-15.8	0	0	111.2	N50 I51 I225 G253	Q46-N50 HydrophobicContact CB-CB 4.1Å; Q46-N50 PolarHBondContact OE1-ND2 3.03Å; Q46-I51 HydrophobicContact CB-CD1 4.31Å; Q46-I51 HydrophobicContact CB-CG1 3.82Å; Q46-I225 PolarHBondContact NE2-O 2.79Å; Q46-G253 VanDerWaalsContact CB-O 3.28Å; Q46-G253 WeakPolarHBondContact CB-O 3.35Å; Q46-G253 WeakPolarHBondContact CG-O 3.44Å; Q46-G253 PolarHBondContact N-O 3.34Å
47	S	96.5	Very high	94.2	Very high	59 Å²	59	70.2 Å²	70.2	41%	0.413	38%	0.379	S	S	.	.			trans	-70.7	158.6	169	69.3	0	0	0	0	111.2	R49 N50 I51	S47-R49 PolarHBondContact O-N 3.06Å; S47-R49 VanDerWaalsContact O-N 3.17Å; S47-N50 PolarHBondContact O-N 3.48Å; S47-N50 PolarHBondContact OG-N 3.15Å; S47-N50 PolarHBondContact OG-OD1 2.96Å; S47-I51 WeakPolarHBondContact O-CG1 3.42Å; S47-I51 PolarHBondContact O-N 3.34Å
48	D	96.5	Very high	95	Very high	143 Å²	143	64 Å²	64	77%	0.765	35%	0.347	S	S	*	.	H	α-helix	trans	-55	-35.3	174.5	-67.4	-22.9	0	0	0	112.4	I51 S52	D48-I51 PolarHBondContact O-N 3.49Å; D48-S52 WeakPolarHBondContact O-CB 3.36Å; D48-S52 PolarHBondContact O-N 2.97Å
49	R	96.7	Very high	95.7	Very high	148 Å²	148	64.7 Å²	64.7	56%	0.558	36%	0.355	S	S	*	.	H	α-helix	trans	-62.7	-48.2	174.7	-178.9	-179.4	176.5	-175.6	-2.3	111.4	S47 I51 S52 E53 Y143	S47-R49 PolarHBondContact O-N 3.06Å; S47-R49 VanDerWaalsContact O-N 3.17Å; R49-I51 VanDerWaalsContact C-N 3.33Å; R49-I51 PolarHBondContact O-N 3.2Å; R49-S52 PolarHBondContact O-N 2.79Å; R49-E53 PolarHBondContact O-N 3.22Å; R49-Y143 VanDerWaalsContact NH2-CE1 3.3Å
50	N	96.7	Very high	96.3	Very high	35 Å²	35	60 Å²	60	19%	0.187	33%	0.325	C	S	.	.	H	α-helix	trans	-62.3	-43	179.4	-73.1	4.2	0	0	0	110.8	Q46 S47 S52 E53 C54 V144	Q46-N50 HydrophobicContact CB-CB 4.1Å; Q46-N50 PolarHBondContact OE1-ND2 3.03Å; S47-N50 PolarHBondContact O-N 3.48Å; S47-N50 PolarHBondContact OG-N 3.15Å; S47-N50 PolarHBondContact OG-OD1 2.96Å; N50-S52 VanDerWaalsContact C-N 3.34Å; N50-S52 PolarHBondContact O-N 3.42Å; N50-E53 PolarHBondContact O-N 3.02Å; N50-C54 PolarHBondContact O-N 3.23Å; N50-C54 PolarHBondContact O-SG 3.37Å; N50-C54 VanDerWaalsContact O-SG 3.38Å; N50-V144 HydrophobicContact CB-CG1 4.06Å
51	I	97.9	Very high	96.9	Very high	23 Å²	23	57 Å²	57	12%	0.118	31%	0.311	C	S	.	.	H	α-helix	trans	-62	-43.1	177.3	-62.8	166.2	0	0	0	110.7	Q46 S47 D48 R49 C54 K55 I314 L316	Q46-I51 HydrophobicContact CB-CD1 4.31Å; Q46-I51 HydrophobicContact CB-CG1 3.82Å; S47-I51 WeakPolarHBondContact O-CG1 3.42Å; S47-I51 PolarHBondContact O-N 3.34Å; D48-I51 PolarHBondContact O-N 3.49Å; R49-I51 VanDerWaalsContact C-N 3.33Å; R49-I51 PolarHBondContact O-N 3.2Å; I51-C54 PolarHBondContact O-N 3.27Å; I51-K55 PolarHBondContact O-N 3.13Å; I51-I314 HydrophobicContact CG2-CD1 4.36Å; I51-L316 HydrophobicContact CG2-CD1 4.41Å; I51-L316 HydrophobicContact CG2-CD2 4.24Å
52	S	97.8	Very high	97.3	Very high	74 Å²	74	57.2 Å²	57.2	52%	0.517	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-41.8	175.8	-173.6	0	0	0	0	112.4	D48 R49 N50 K55 R56	D48-S52 WeakPolarHBondContact O-CB 3.36Å; D48-S52 PolarHBondContact O-N 2.97Å; R49-S52 PolarHBondContact O-N 2.79Å; N50-S52 VanDerWaalsContact C-N 3.34Å; N50-S52 PolarHBondContact O-N 3.42Å; S52-K55 WeakPolarHBondContact O-CB 3.4Å; S52-K55 PolarHBondContact O-N 2.84Å; S52-R56 PolarHBondContact O-N 2.74Å
53	E	97.6	Very high	97.6	Very high	39 Å²	39	56.9 Å²	56.9	18%	0.182	29%	0.287	C	S	.	.	H	α-helix	trans	-69.5	-36.3	176.3	-72.1	-59.6	134.6	0	0	112.4	R49 N50 K55 R56 A57 V144	R49-E53 PolarHBondContact O-N 3.22Å; N50-E53 PolarHBondContact O-N 3.02Å; E53-K55 VanDerWaalsContact C-N 3.31Å; E53-K55 PolarHBondContact O-N 2.76Å; E53-R56 WeakPolarHBondContact O-CB 3.4Å; E53-R56 PolarHBondContact O-N 3.05Å; E53-R56 IonicContact OE2-CZ 3.35Å; E53-R56 IonicContact OE2-NE 2.65Å; E53-R56 PolarHBondContact OE2-NE 3.23Å; E53-R56 IonicContact OE2-NH2 2.91Å; E53-R56 PolarHBondContact OE2-NH2 3.36Å; E53-A57 PolarHBondContact O-N 2.88Å; E53-V144 VanDerWaalsContact C-CG2 3.48Å; E53-V144 HydrophobicContact CB-CG1 4.48Å; E53-V144 HydrophobicContact CB-CG2 3.42Å; E53-V144 VanDerWaalsContact CB-CG2 3.42Å
54	C	97.9	Very high	97.6	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-40.2	173	-74.3	0	0	0	0	110.5	N50 I51 R56 A57 G58 V144 H145 L316	N50-C54 PolarHBondContact O-N 3.23Å; N50-C54 PolarHBondContact O-SG 3.37Å; N50-C54 VanDerWaalsContact O-SG 3.38Å; I51-C54 PolarHBondContact O-N 3.27Å; C54-R56 VanDerWaalsContact C-N 3.31Å; C54-R56 PolarHBondContact O-N 3.12Å; C54-A57 PolarHBondContact O-N 3.08Å; C54-G58 PolarHBondContact O-N 3.27Å; C54-V144 HydrophobicContact CB-CG2 4.33Å; C54-V144 VanDerWaalsContact SG-CG2 3.54Å; C54-H145 PolarHBondContact SG-O 3.04Å; C54-L316 HydrophobicContact CB-CD1 3.56Å
55	K	98.1	Very high	97.8	Very high	125 Å²	125	54.9 Å²	54.9	54%	0.543	27%	0.273	S	S	.	.	H	α-helix	trans	-62.3	-37.6	173.9	-166.7	177	-177.7	178.4	0	112.4	I51 S52 E53 S59 L316	I51-K55 PolarHBondContact O-N 3.13Å; S52-K55 WeakPolarHBondContact O-CB 3.4Å; S52-K55 PolarHBondContact O-N 2.84Å; E53-K55 VanDerWaalsContact C-N 3.31Å; E53-K55 PolarHBondContact O-N 2.76Å; K55-S59 WeakPolarHBondContact O-CB 3.38Å; K55-S59 PolarHBondContact O-N 2.88Å; K55-L316 HydrophobicContact CB-CD2 4.16Å; K55-L316 HydrophobicContact CG-CD2 4.44Å
56	R	98.1	Very high	97.8	Very high	98 Å²	98	53 Å²	53	37%	0.37	26%	0.26	S	S	.	.	H	α-helix	trans	-66.3	-45.7	174.5	-173.4	-176.6	66	86.1	-11.3	111.3	S52 E53 C54 G58 S59 I60 S141	S52-R56 PolarHBondContact O-N 2.74Å; E53-R56 WeakPolarHBondContact O-CB 3.4Å; E53-R56 PolarHBondContact O-N 3.05Å; E53-R56 IonicContact OE2-CZ 3.35Å; E53-R56 IonicContact OE2-NE 2.65Å; E53-R56 PolarHBondContact OE2-NE 3.23Å; E53-R56 IonicContact OE2-NH2 2.91Å; E53-R56 PolarHBondContact OE2-NH2 3.36Å; C54-R56 VanDerWaalsContact C-N 3.31Å; C54-R56 PolarHBondContact O-N 3.12Å; R56-G58 VanDerWaalsContact C-N 3.33Å; R56-G58 PolarHBondContact O-N 2.62Å; R56-S59 PolarHBondContact O-N 3.21Å; R56-I60 PolarHBondContact O-N 3.43Å; R56-I60 VanDerWaalsContact O-N 3.09Å; R56-S141 VanDerWaalsContact NH2-CB 3.25Å; R56-S141 PolarHBondContact NH2-O 2.97Å
57	A	98.3	Very high	97.9	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-44	175.4	0	0	0	0	0	111.4	E53 C54 I60 I61 V139	E53-A57 PolarHBondContact O-N 2.88Å; C54-A57 PolarHBondContact O-N 3.08Å; A57-I60 WeakPolarHBondContact O-CB 3.3Å; A57-I60 PolarHBondContact O-N 2.87Å; A57-I60 VanDerWaalsContact O-N 3.17Å; A57-I61 WeakPolarHBondContact O-CG1 3.27Å; A57-I61 PolarHBondContact O-N 3Å; A57-V139 HydrophobicContact CB-CG2 3.88Å
58	G	98.4	Very high	98	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.2	-37.6	176.5	0	0	0	0	0	113.9	C54 R56 I60 I61 R62 L316	C54-G58 PolarHBondContact O-N 3.27Å; R56-G58 VanDerWaalsContact C-N 3.33Å; R56-G58 PolarHBondContact O-N 2.62Å; G58-I60 VanDerWaalsContact C-N 3.27Å; G58-I60 PolarHBondContact O-N 3.49Å; G58-I61 PolarHBondContact O-N 3.14Å; G58-R62 PolarHBondContact O-N 2.75Å; G58-L316 WeakPolarHBondContact CA-O 3.37Å
59	S	98.3	Very high	97.9	Very high	63 Å²	63	50.9 Å²	50.9	44%	0.441	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-36.4	171	-179.9	0	0	0	0	112.7	K55 R56 Q63	K55-S59 WeakPolarHBondContact O-CB 3.38Å; K55-S59 PolarHBondContact O-N 2.88Å; R56-S59 PolarHBondContact O-N 3.21Å; S59-Q63 WeakPolarHBondContact O-CG 3.4Å; S59-Q63 PolarHBondContact O-N 3.09Å; S59-Q63 PolarHBondContact O-NE2 3.11Å
60	I	98.5	Very high	97.9	Very high	16 Å²	16	51.3 Å²	51.3	8%	0.082	25%	0.247	C	C	.	.	H	α-helix	trans	-65.7	-49.1	173.6	-75	167.7	0	0	0	110.5	R56 A57 G58 R62 Q63 M64 K92 V94 V139	R56-I60 PolarHBondContact O-N 3.43Å; R56-I60 VanDerWaalsContact O-N 3.09Å; A57-I60 WeakPolarHBondContact O-CB 3.3Å; A57-I60 PolarHBondContact O-N 2.87Å; A57-I60 VanDerWaalsContact O-N 3.17Å; G58-I60 VanDerWaalsContact C-N 3.27Å; G58-I60 PolarHBondContact O-N 3.49Å; I60-R62 VanDerWaalsContact C-N 3.26Å; I60-R62 PolarHBondContact O-N 2.85Å; I60-Q63 WeakPolarHBondContact O-CB 3.47Å; I60-Q63 PolarHBondContact O-N 3.29Å; I60-Q63 VanDerWaalsContact O-N 3.16Å; I60-M64 HydrophobicContact CG2-SD 3.91Å; I60-M64 WeakPolarHBondContact O-CG 3.45Å; I60-M64 PolarHBondContact O-N 3.25Å; I60-K92 HydrophobicContact CG2-CB 4.29Å; I60-K92 HydrophobicContact CG2-CD 3.62Å; I60-V94 HydrophobicContact CD1-CG1 3.73Å; I60-V94 HydrophobicContact CG2-CG2 4.12Å; I60-V139 HydrophobicContact CG2-CG2 4.47Å
61	I	98.7	Very high	97.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.7	-42	177.3	-67.7	161.1	0	0	0	110.7	A57 G58 Q63 M64 F65 I137 V139 G146 A148	A57-I61 WeakPolarHBondContact O-CG1 3.27Å; A57-I61 PolarHBondContact O-N 3Å; G58-I61 PolarHBondContact O-N 3.14Å; I61-Q63 VanDerWaalsContact C-N 3.34Å; I61-Q63 PolarHBondContact O-N 3.4Å; I61-M64 WeakPolarHBondContact O-CB 3.49Å; I61-M64 PolarHBondContact O-N 3.02Å; I61-M64 VanDerWaalsContact O-N 3.11Å; I61-F65 HydrophobicContact CG2-CD2 3.73Å; I61-F65 HydrophobicContact CG2-CE2 3.4Å; I61-F65 VanDerWaalsContact CG2-CE2 3.4Å; I61-F65 HydrophobicContact CG2-CZ 4.12Å; I61-F65 PolarHBondContact O-N 2.94Å; I61-I137 VanDerWaalsContact CD1-O 3.24Å; I61-I137 WeakPolarHBondContact CD1-O 3.46Å; I61-I137 HydrophobicContact CG1-CG2 4.08Å; I61-I137 HydrophobicContact CG2-CB 4.05Å; I61-I137 HydrophobicContact CG2-CG2 4.25Å; I61-V139 HydrophobicContact CD1-CG2 4Å; I61-V139 HydrophobicContact CG1-CG1 4Å; I61-V139 HydrophobicContact CG1-CG2 3.91Å; I61-G146 WeakPolarHBondContact CD1-O 3.36Å; I61-A148 HydrophobicContact CG2-CB 3.97Å
62	R	98.5	Very high	97.9	Very high	119 Å²	119	52.1 Å²	52.1	45%	0.449	25%	0.249	S	C	.	.	H	α-helix	trans	-63	-39.8	178.6	-175.3	56.5	-165.9	-113.7	9.1	113.1	G58 I60 M64 F65 N66 T317	G58-R62 PolarHBondContact O-N 2.75Å; I60-R62 VanDerWaalsContact C-N 3.26Å; I60-R62 PolarHBondContact O-N 2.85Å; R62-M64 VanDerWaalsContact C-N 3.33Å; R62-F65 PolarHBondContact O-N 2.92Å; R62-N66 PolarHBondContact NE-OD1 3.27Å; R62-N66 VanDerWaalsContact NE-OD1 3.09Å; R62-N66 PolarHBondContact O-N 3.09Å; R62-N66 VanDerWaalsContact O-N 3.08Å; R62-N66 PolarHBondContact O-ND2 3.03Å; R62-N66 PolarHBondContact O-OD1 3.34Å; R62-T317 WeakPolarHBondContact CB-OXT 3.37Å
63	Q	98.5	Very high	97.8	Very high	88 Å²	88	54.9 Å²	54.9	41%	0.411	25%	0.248	S	C	.	.	H	α-helix	trans	-61.7	-44.6	173.3	-71.4	166.5	69.4	0	0	110.8	S59 I60 I61 F65 N66 D67	S59-Q63 WeakPolarHBondContact O-CG 3.4Å; S59-Q63 PolarHBondContact O-N 3.09Å; S59-Q63 PolarHBondContact O-NE2 3.11Å; I60-Q63 WeakPolarHBondContact O-CB 3.47Å; I60-Q63 PolarHBondContact O-N 3.29Å; I60-Q63 VanDerWaalsContact O-N 3.16Å; I61-Q63 VanDerWaalsContact C-N 3.34Å; I61-Q63 PolarHBondContact O-N 3.4Å; Q63-F65 VanDerWaalsContact C-N 3.34Å; Q63-F65 PolarHBondContact O-N 3.03Å; Q63-N66 PolarHBondContact O-N 3.39Å; Q63-D67 PolarHBondContact O-N 2.64Å
64	M	98.7	Very high	97.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.9	-41.2	177.1	-64.4	168.4	66.9	0	0	111.9	I60 I61 R62 D67 L68 V85 E88 C89 K92 I137 V139	I60-M64 HydrophobicContact CG2-SD 3.91Å; I60-M64 WeakPolarHBondContact O-CG 3.45Å; I60-M64 PolarHBondContact O-N 3.25Å; I61-M64 WeakPolarHBondContact O-CB 3.49Å; I61-M64 PolarHBondContact O-N 3.02Å; I61-M64 VanDerWaalsContact O-N 3.11Å; R62-M64 VanDerWaalsContact C-N 3.33Å; M64-D67 PolarHBondContact O-N 3.33Å; M64-L68 WeakPolarHBondContact O-CB 3.45Å; M64-L68 PolarHBondContact O-N 3.25Å; M64-V85 HydrophobicContact CE-CB 4.43Å; M64-V85 HydrophobicContact CE-CG1 3.73Å; M64-E88 HydrophobicContact CE-CB 3.92Å; M64-E88 HydrophobicContact CG-CB 4.15Å; M64-C89 VanDerWaalsContact CE-SG 3.54Å; M64-K92 HydrophobicContact CG-CD 4.19Å; M64-I137 HydrophobicContact CB-CD1 4.12Å; M64-I137 HydrophobicContact CE-CD1 4.36Å; M64-I137 HydrophobicContact CE-CG2 3.71Å; M64-I137 HydrophobicContact SD-CG2 4.15Å; M64-V139 HydrophobicContact SD-CG1 4.27Å
65	F	98.6	Very high	97.7	Very high	10 Å²	10	58 Å²	58	4%	0.044	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-42.8	174.3	-77.6	-45.2	0	0	0	113	I61 R62 Q63 D67 L68 E69 V135 I137 A148 H150 F152	I61-F65 HydrophobicContact CG2-CD2 3.73Å; I61-F65 HydrophobicContact CG2-CE2 3.4Å; I61-F65 VanDerWaalsContact CG2-CE2 3.4Å; I61-F65 HydrophobicContact CG2-CZ 4.12Å; I61-F65 PolarHBondContact O-N 2.94Å; R62-F65 PolarHBondContact O-N 2.92Å; Q63-F65 VanDerWaalsContact C-N 3.34Å; Q63-F65 PolarHBondContact O-N 3.03Å; F65-D67 VanDerWaalsContact C-N 3.25Å; F65-D67 PolarHBondContact O-N 2.74Å; F65-L68 PolarHBondContact O-N 3.21Å; F65-E69 WeakPolarHBondContact O-CB 3.47Å; F65-E69 PolarHBondContact O-N 2.79Å; F65-V135 HydrophobicContact CE1-CB 4.42Å; F65-V135 VanDerWaalsContact CE1-O 3.3Å; F65-V135 WeakPolarHBondContact CE1-O 3.02Å; F65-V135 WeakPolarHBondContact CZ-O 3.44Å; F65-I137 HydrophobicContact CD1-CD1 3.77Å; F65-I137 HydrophobicContact CE1-CB 4.49Å; F65-I137 HydrophobicContact CE1-CD1 3.56Å; F65-I137 HydrophobicContact CE1-CG1 3.81Å; F65-I137 HydrophobicContact CG-CD1 4.48Å; F65-I137 HydrophobicContact CZ-CB 4.27Å; F65-I137 HydrophobicContact CZ-CD1 4.12Å; F65-I137 HydrophobicContact CZ-CG1 4.08Å; F65-A148 HydrophobicContact CE2-CB 3.84Å; F65-A148 HydrophobicContact CZ-CB 4.48Å; F65-A148 VanDerWaalsContact CZ-O 3.29Å; F65-A148 WeakPolarHBondContact CZ-O 3.42Å; F65-H150 HydrophobicContact CD1-CB 3.82Å; F65-H150 HydrophobicContact CD2-CB 4.3Å; F65-H150 HydrophobicContact CE1-CB 3.61Å; F65-H150 HydrophobicContact CE2-CB 4.1Å; F65-H150 HydrophobicContact CG-CB 4.17Å; F65-H150 HydrophobicContact CZ-CB 3.76Å; F65-F152 HydrophobicContact CB-CZ 4.45Å; F65-F152 AromaticContact CD1-CE2 3.98Å; F65-F152 HydrophobicContact CD1-CE2 3.98Å; F65-F152 AromaticContact CD1-CZ 3.77Å; F65-F152 HydrophobicContact CD1-CZ 3.77Å; F65-F152 HydrophobicContact CE1-CE2 4.29Å; F65-F152 HydrophobicContact CG-CZ 4.48Å
66	N	97.9	Very high	97.7	Very high	58 Å²	58	53 Å²	53	31%	0.31	26%	0.261	S	S	.	.	H	α-helix	trans	-63.4	-33.4	177.8	-62.3	-19.4	0	0	0	112	R62 Q63 K70	R62-N66 PolarHBondContact NE-OD1 3.27Å; R62-N66 VanDerWaalsContact NE-OD1 3.09Å; R62-N66 PolarHBondContact O-N 3.09Å; R62-N66 VanDerWaalsContact O-N 3.08Å; R62-N66 PolarHBondContact O-ND2 3.03Å; R62-N66 PolarHBondContact O-OD1 3.34Å; Q63-N66 PolarHBondContact O-N 3.39Å; N66-K70 VanDerWaalsContact O-CE 3.25Å; N66-K70 WeakPolarHBondContact O-CE 3.3Å
67	D	98.1	Very high	97.8	Very high	55 Å²	55	48.7 Å²	48.7	29%	0.294	25%	0.245	S	C	.	.	H	α-helix	trans	-80.6	-33.6	176.8	-66.6	-29	0	0	0	111.8	Q63 M64 F65 K70 F71 F84	Q63-D67 PolarHBondContact O-N 2.64Å; M64-D67 PolarHBondContact O-N 3.33Å; F65-D67 VanDerWaalsContact C-N 3.25Å; F65-D67 PolarHBondContact O-N 2.74Å; D67-K70 PolarHBondContact O-N 3.27Å; D67-K70 IonicContact OD1-NZ 2.64Å; D67-K70 PolarHBondContact OD1-NZ 2.85Å; D67-F71 PolarHBondContact O-N 3.01Å; D67-F84 HydrophobicContact CB-CZ 3.93Å
68	L	97.4	Very high	97.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.9	-36.8	175.2	-170.9	67.1	0	0	0	112.2	M64 F65 K70 F71 I72 I81 F84 V135 I137 F152	M64-L68 WeakPolarHBondContact O-CB 3.45Å; M64-L68 PolarHBondContact O-N 3.25Å; F65-L68 PolarHBondContact O-N 3.21Å; L68-K70 PolarHBondContact O-N 3.02Å; L68-F71 HydrophobicContact CD1-CD1 4.11Å; L68-F71 PolarHBondContact O-N 3.48Å; L68-I72 HydrophobicContact CD1-CD1 4.2Å; L68-I72 HydrophobicContact CD1-CG1 4.05Å; L68-I72 HydrophobicContact CD2-CD1 4Å; L68-I72 HydrophobicContact CG-CD1 3.64Å; L68-I72 HydrophobicContact CG-CG1 3.96Å; L68-I72 WeakPolarHBondContact O-CG1 3.5Å; L68-I72 PolarHBondContact O-N 3.43Å; L68-I81 HydrophobicContact CD1-CD1 4.29Å; L68-I81 HydrophobicContact CD1-CG2 4.05Å; L68-I81 HydrophobicContact CD2-CG2 4.39Å; L68-F84 HydrophobicContact CB-CE1 4.03Å; L68-F84 HydrophobicContact CD1-CD1 3.6Å; L68-F84 HydrophobicContact CD1-CE1 3.86Å; L68-F84 HydrophobicContact CD1-CG 4.25Å; L68-V135 HydrophobicContact CD2-CB 3.98Å; L68-V135 HydrophobicContact CD2-CG1 3.76Å; L68-V135 HydrophobicContact CD2-CG2 3.95Å; L68-I137 HydrophobicContact CD2-CD1 4.48Å; L68-F152 HydrophobicContact CD2-CE2 3.91Å; L68-F152 HydrophobicContact CD2-CZ 4.25Å
69	E	96.2	Very high	97.8	Very high	117 Å²	117	49.3 Å²	49.3	55%	0.547	25%	0.248	S	C	.	.	H	α-helix	trans	-54.7	-39.3	173.6	-170.6	173	-165.1	0	0	111.8	F65 F152	F65-E69 WeakPolarHBondContact O-CB 3.47Å; F65-E69 PolarHBondContact O-N 2.79Å; E69-F152 HydrophobicContact CB-CD1 4.44Å; E69-F152 HydrophobicContact CB-CE1 3.87Å; E69-F152 HydrophobicContact CG-CD1 4.5Å; E69-F152 HydrophobicContact CG-CE1 4.28Å
70	K	95.7	Very high	97.8	Very high	157 Å²	157	49.1 Å²	49.1	68%	0.683	24%	0.242	S	C	*	.	H	α-helix	trans	-77.9	-23.4	176.9	-55.1	164.7	-161.5	152.7	0	112.7	N66 D67 L68	N66-K70 VanDerWaalsContact O-CE 3.25Å; N66-K70 WeakPolarHBondContact O-CE 3.3Å; D67-K70 PolarHBondContact O-N 3.27Å; D67-K70 IonicContact OD1-NZ 2.64Å; D67-K70 PolarHBondContact OD1-NZ 2.85Å; L68-K70 PolarHBondContact O-N 3.02Å
71	F	97.3	Very high	97.8	Very high	54 Å²	54	48.3 Å²	48.3	24%	0.237	24%	0.238	C	C	.	.	H	α-helix	trans	-85.7	-42.9	-175.7	-177.6	-105.8	0	0	0	112.2	D67 L68 R73 L76 I81 F84	D67-F71 PolarHBondContact O-N 3.01Å; L68-F71 HydrophobicContact CD1-CD1 4.11Å; L68-F71 PolarHBondContact O-N 3.48Å; F71-R73 PolarHBondContact O-N 3.36Å; F71-R73 PolarHBondContact O-NH1 3.24Å; F71-L76 HydrophobicContact CD1-CD1 3.99Å; F71-L76 HydrophobicContact CE1-CD1 3.73Å; F71-L76 HydrophobicContact CZ-CD1 4.12Å; F71-L76 WeakPolarHBondContact O-CD1 3.27Å; F71-I81 HydrophobicContact CD1-CD1 4.14Å; F71-I81 HydrophobicContact CE1-CD1 4.12Å; F71-F84 HydrophobicContact CB-CD2 4.2Å; F71-F84 HydrophobicContact CB-CE2 3.93Å; F71-F84 HydrophobicContact CB-CZ 4.31Å; F71-F84 HydrophobicContact CD1-CB 4.12Å; F71-F84 AromaticContact CD1-CD2 3.77Å; F71-F84 HydrophobicContact CD1-CD2 3.77Å; F71-F84 HydrophobicContact CD1-CE2 4.37Å; F71-F84 AromaticContact CD1-CG 3.93Å; F71-F84 HydrophobicContact CD1-CG 3.93Å; F71-F84 AromaticContact CD2-CD2 3.71Å; F71-F84 HydrophobicContact CD2-CD2 3.71Å; F71-F84 AromaticContact CD2-CE2 3.96Å; F71-F84 HydrophobicContact CD2-CE2 3.96Å; F71-F84 HydrophobicContact CE1-CB 3.78Å; F71-F84 HydrophobicContact CE1-CD2 4Å; F71-F84 HydrophobicContact CE1-CG 4.07Å; F71-F84 AromaticContact CE2-CD2 3.95Å; F71-F84 HydrophobicContact CE2-CD2 3.95Å; F71-F84 AromaticContact CG-CD2 3.62Å; F71-F84 HydrophobicContact CG-CD2 3.62Å; F71-F84 AromaticContact CG-CE2 3.83Å; F71-F84 HydrophobicContact CG-CE2 3.83Å; F71-F84 HydrophobicContact CG-CG 4.22Å; F71-F84 HydrophobicContact CZ-CB 4.2Å; F71-F84 HydrophobicContact CZ-CD2 4.09Å
72	I	97.6	Very high	97.8	Very high	20 Å²	20	48.3 Å²	48.3	10%	0.103	24%	0.238	C	C	.	.			trans	-61.3	124.9	-176.9	-72	169.2	0	0	0	110.7	L68 I81 L127 L133 F152 V154	L68-I72 HydrophobicContact CD1-CD1 4.2Å; L68-I72 HydrophobicContact CD1-CG1 4.05Å; L68-I72 HydrophobicContact CD2-CD1 4Å; L68-I72 HydrophobicContact CG-CD1 3.64Å; L68-I72 HydrophobicContact CG-CG1 3.96Å; L68-I72 WeakPolarHBondContact O-CG1 3.5Å; L68-I72 PolarHBondContact O-N 3.43Å; I72-I81 HydrophobicContact CG1-CD1 3.83Å; I72-L127 HydrophobicContact CG2-CD1 4.22Å; I72-L133 HydrophobicContact CD1-CD2 3.99Å; I72-L133 HydrophobicContact CG1-CD2 4.43Å; I72-F152 HydrophobicContact CD1-CB 3.87Å; I72-F152 HydrophobicContact CD1-CD1 4.08Å; I72-F152 HydrophobicContact CD1-CD2 3.53Å; I72-F152 HydrophobicContact CD1-CE2 4.08Å; I72-F152 HydrophobicContact CD1-CG 3.54Å; I72-V154 HydrophobicContact CG2-CG1 4.48Å; I72-V154 HydrophobicContact CG2-CG2 4.01Å
73	R	96.5	Very high	97.9	Very high	132 Å²	132	45.1 Å²	45.1	50%	0.498	23%	0.23	S	C	.	.			trans	-156.3	159.7	175.4	60.5	-175	177.6	-87.3	2.3	110.4	F71 L76	F71-R73 PolarHBondContact O-N 3.36Å; F71-R73 PolarHBondContact O-NH1 3.24Å; R73-L76 HydrophobicContact CG-CD1 4Å; R73-L76 HydrophobicContact CG-CG 4.06Å
74	P	95.7	Very high	97.9	Very high	52 Å²	52	42.8 Å²	42.8	34%	0.338	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	145.8	173.3	-24.1	32.4	0	0	0	112.4	L127 L129 V154	P74-L127 WeakPolarHBondContact CA-O 3.46Å; P74-L129 HydrophobicContact CG-CB 4.3Å; P74-L129 HydrophobicContact CG-CD1 4.42Å; P74-V154 HydrophobicContact CB-CG1 4.47Å; P74-V154 HydrophobicContact CG-CG1 3.89Å
75	G	97.4	Very high	97.9	Very high	54 Å²	54	42.8 Å²	42.8	56%	0.557	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.5	-13.8	177.8	0	0	0	0	0	115.3	L127	G75-L127 PolarHBondContact N-O 2.92Å
76	L	98.3	Very high	97.9	Very high	21 Å²	21	42.8 Å²	42.8	11%	0.11	22%	0.218	C	C	.	.			trans	-72.7	150.3	166.7	-63.6	-179.3	0	0	0	110.4	F71 R73 D80 I81 I126 L127	F71-L76 HydrophobicContact CD1-CD1 3.99Å; F71-L76 HydrophobicContact CE1-CD1 3.73Å; F71-L76 HydrophobicContact CZ-CD1 4.12Å; F71-L76 WeakPolarHBondContact O-CD1 3.27Å; R73-L76 HydrophobicContact CG-CD1 4Å; R73-L76 HydrophobicContact CG-CG 4.06Å; L76-D80 HydrophobicContact CB-CB 4.37Å; L76-D80 HydrophobicContact CD2-CB 4.31Å; L76-I81 HydrophobicContact CD1-CD1 4.47Å; L76-I126 CarbonylContact O-C 3.5Å; L76-I126 WeakPolarHBondContact O-CA 3.48Å; L76-L127 HydrophobicContact CB-CD1 4.25Å; L76-L127 WeakPolarHBondContact O-CB 3.39Å; L76-L127 WeakPolarHBondContact O-CG 3.49Å; L76-L127 PolarHBondContact O-N 2.93Å
77	S	98.7	Very high	97.9	Very high	6 Å²	6	44.4 Å²	44.4	4%	0.042	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-90	160.1	167.6	71.5	0	0	0	0	111.2	Q79 D80 I81 Q125	S77-Q79 PolarHBondContact O-N 3.01Å; S77-Q79 PolarHBondContact OG-N 3.49Å; S77-D80 WeakPolarHBondContact CA-OD2 3.31Å; S77-D80 WeakPolarHBondContact CB-OD2 3.37Å; S77-D80 PolarHBondContact N-OD2 3.21Å; S77-D80 WeakPolarHBondContact O-CB 3.5Å; S77-D80 PolarHBondContact O-N 2.84Å; S77-D80 VanDerWaalsContact OG-CG 3.29Å; S77-D80 PolarHBondContact OG-N 2.94Å; S77-D80 VanDerWaalsContact OG-N 3.17Å; S77-D80 PolarHBondContact OG-OD2 3.07Å; S77-I81 PolarHBondContact O-N 2.65Å; S77-Q125 CarbonylContact C-O 3.54Å; S77-Q125 VanDerWaalsContact CA-O 3.31Å; S77-Q125 WeakPolarHBondContact CA-O 3.44Å
78	T	98.7	Very high	97.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-26.1	169.5	52.6	0	0	0	0	112.5	D80 I81 D82 T110 N122 Q125 L127 L133	T78-D80 VanDerWaalsContact C-N 3.34Å; T78-D80 PolarHBondContact O-N 3.2Å; T78-I81 WeakPolarHBondContact O-CB 3.26Å; T78-I81 PolarHBondContact O-N 2.98Å; T78-D82 PolarHBondContact O-N 2.96Å; T78-D82 VanDerWaalsContact O-N 3.14Å; T78-T110 WeakPolarHBondContact CB-OG1 3.19Å; T78-N122 PolarHBondContact OG1-N 3.44Å; T78-N122 PolarHBondContact OG1-O 3.42Å; T78-Q125 HydrophobicContact CG2-CB 4.37Å; T78-Q125 HydrophobicContact CG2-CG 3.95Å; T78-Q125 PolarHBondContact N-O 3.43Å; T78-L127 HydrophobicContact CG2-CD2 4.27Å; T78-L133 HydrophobicContact CG2-CD1 4.2Å
79	Q	98.8	Very high	98	Very high	14 Å²	14	43.6 Å²	43.6	7%	0.065	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-35.2	170.9	-178.2	60.6	75.4	0	0	112.8	S77 I81 D82 D83 N122 K123	S77-Q79 PolarHBondContact O-N 3.01Å; S77-Q79 PolarHBondContact OG-N 3.49Å; Q79-I81 PolarHBondContact O-N 3.05Å; Q79-D82 PolarHBondContact NE2-OD2 2.89Å; Q79-D82 PolarHBondContact O-N 2.94Å; Q79-D83 PolarHBondContact NE2-OD1 3.21Å; Q79-D83 PolarHBondContact O-N 3.42Å; Q79-N122 PolarHBondContact N-O 2.76Å; Q79-K123 HydrophobicContact CB-CG 3.79Å; Q79-K123 HydrophobicContact CG-CG 3.75Å
80	D	98.8	Very high	98	Very high	58 Å²	58	39.8 Å²	39.8	31%	0.31	20%	0.204	S	C	.	.	H	α-helix	trans	-65	-31.1	175.7	-60.7	-63.3	0	0	0	111.2	L76 S77 T78 F84	L76-D80 HydrophobicContact CB-CB 4.37Å; L76-D80 HydrophobicContact CD2-CB 4.31Å; S77-D80 WeakPolarHBondContact CA-OD2 3.31Å; S77-D80 WeakPolarHBondContact CB-OD2 3.37Å; S77-D80 PolarHBondContact N-OD2 3.21Å; S77-D80 WeakPolarHBondContact O-CB 3.5Å; S77-D80 PolarHBondContact O-N 2.84Å; S77-D80 VanDerWaalsContact OG-CG 3.29Å; S77-D80 PolarHBondContact OG-N 2.94Å; S77-D80 VanDerWaalsContact OG-N 3.17Å; S77-D80 PolarHBondContact OG-OD2 3.07Å; T78-D80 VanDerWaalsContact C-N 3.34Å; T78-D80 PolarHBondContact O-N 3.2Å; D80-F84 WeakPolarHBondContact O-CB 3.3Å; D80-F84 PolarHBondContact O-N 2.89Å
81	I	98.8	Very high	98.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-68.2	-44.2	173.6	-51.5	-55.9	0	0	0	110.8	L68 F71 I72 L76 S77 T78 Q79 F84 V85 T110 L127 L133 V135	L68-I81 HydrophobicContact CD1-CD1 4.29Å; L68-I81 HydrophobicContact CD1-CG2 4.05Å; L68-I81 HydrophobicContact CD2-CG2 4.39Å; F71-I81 HydrophobicContact CD1-CD1 4.14Å; F71-I81 HydrophobicContact CE1-CD1 4.12Å; I72-I81 HydrophobicContact CG1-CD1 3.83Å; L76-I81 HydrophobicContact CD1-CD1 4.47Å; S77-I81 PolarHBondContact O-N 2.65Å; T78-I81 WeakPolarHBondContact O-CB 3.26Å; T78-I81 PolarHBondContact O-N 2.98Å; Q79-I81 PolarHBondContact O-N 3.05Å; I81-F84 PolarHBondContact O-N 3.14Å; I81-V85 WeakPolarHBondContact O-CG2 3.31Å; I81-V85 PolarHBondContact O-N 3.33Å; I81-T110 HydrophobicContact CB-CG2 4.1Å; I81-T110 HydrophobicContact CG2-CG2 3.9Å; I81-L127 HydrophobicContact CD1-CD1 4.32Å; I81-L133 HydrophobicContact CD1-CD2 4.42Å; I81-L133 HydrophobicContact CG1-CD2 4.08Å; I81-V135 HydrophobicContact CG2-CG1 4.17Å; I81-V135 HydrophobicContact CG2-CG2 4.22Å
82	D	98.9	Very high	98.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-40.9	174.4	174.2	59.3	0	0	0	112.5	R20 T78 Q79 V85 F86 K106 S107 V108 P121	R20-D82 IonicContact CZ-OD2 2.73Å; R20-D82 IonicContact NH2-OD2 3.13Å; R20-D82 PolarHBondContact NH2-OD2 2.93Å; T78-D82 PolarHBondContact O-N 2.96Å; T78-D82 VanDerWaalsContact O-N 3.14Å; Q79-D82 PolarHBondContact NE2-OD2 2.89Å; Q79-D82 PolarHBondContact O-N 2.94Å; D82-V85 PolarHBondContact O-N 2.94Å; D82-F86 WeakPolarHBondContact O-CB 3.44Å; D82-F86 PolarHBondContact O-N 2.93Å; D82-K106 WeakPolarHBondContact OD2-CD 3.29Å; D82-S107 WeakPolarHBondContact OD1-CA 3.42Å; D82-S107 WeakPolarHBondContact OD1-CB 3.29Å; D82-S107 PolarHBondContact OD1-N 2.92Å; D82-S107 PolarHBondContact OD1-OG 2.83Å; D82-V108 HydrophobicContact CB-CG1 3.85Å; D82-P121 HydrophobicContact CB-CB 3.58Å; D82-P121 HydrophobicContact CB-CG 3.74Å
83	D	98.8	Very high	98.1	Very high	51 Å²	51	38 Å²	38	27%	0.273	21%	0.214	S	C	.	.	H	α-helix	trans	-62.1	-43.6	174.3	-72.2	-33.9	0	0	0	111.8	R20 Q79 N87	R20-D83 IonicContact CZ-OD1 2.87Å; R20-D83 IonicContact NH1-OD1 2.88Å; R20-D83 PolarHBondContact NH1-OD1 3.01Å; R20-D83 IonicContact NH2-OD1 2.71Å; R20-D83 PolarHBondContact NH2-OD1 2.98Å; Q79-D83 PolarHBondContact NE2-OD1 3.21Å; Q79-D83 PolarHBondContact O-N 3.42Å; D83-N87 WeakPolarHBondContact O-CB 3.46Å; D83-N87 VanDerWaalsContact O-CG 3.24Å; D83-N87 PolarHBondContact O-N 3.29Å; D83-N87 VanDerWaalsContact O-N 3.11Å; D83-N87 PolarHBondContact O-ND2 2.95Å
84	F	98.8	Very high	98.2	Very high	39 Å²	39	31.7 Å²	31.7	17%	0.171	19%	0.19	C	C	.	.	H	α-helix	trans	-60.3	-53.7	175.6	178.5	-85.5	0	0	0	111.7	D67 L68 F71 D80 I81 F86 N87 E88	D67-F84 HydrophobicContact CB-CZ 3.93Å; L68-F84 HydrophobicContact CB-CE1 4.03Å; L68-F84 HydrophobicContact CD1-CD1 3.6Å; L68-F84 HydrophobicContact CD1-CE1 3.86Å; L68-F84 HydrophobicContact CD1-CG 4.25Å; F71-F84 HydrophobicContact CB-CD2 4.2Å; F71-F84 HydrophobicContact CB-CE2 3.93Å; F71-F84 HydrophobicContact CB-CZ 4.31Å; F71-F84 HydrophobicContact CD1-CB 4.12Å; F71-F84 AromaticContact CD1-CD2 3.77Å; F71-F84 HydrophobicContact CD1-CD2 3.77Å; F71-F84 HydrophobicContact CD1-CE2 4.37Å; F71-F84 AromaticContact CD1-CG 3.93Å; F71-F84 HydrophobicContact CD1-CG 3.93Å; F71-F84 AromaticContact CD2-CD2 3.71Å; F71-F84 HydrophobicContact CD2-CD2 3.71Å; F71-F84 AromaticContact CD2-CE2 3.96Å; F71-F84 HydrophobicContact CD2-CE2 3.96Å; F71-F84 HydrophobicContact CE1-CB 3.78Å; F71-F84 HydrophobicContact CE1-CD2 4Å; F71-F84 HydrophobicContact CE1-CG 4.07Å; F71-F84 AromaticContact CE2-CD2 3.95Å; F71-F84 HydrophobicContact CE2-CD2 3.95Å; F71-F84 AromaticContact CG-CD2 3.62Å; F71-F84 HydrophobicContact CG-CD2 3.62Å; F71-F84 AromaticContact CG-CE2 3.83Å; F71-F84 HydrophobicContact CG-CE2 3.83Å; F71-F84 HydrophobicContact CG-CG 4.22Å; F71-F84 HydrophobicContact CZ-CB 4.2Å; F71-F84 HydrophobicContact CZ-CD2 4.09Å; D80-F84 WeakPolarHBondContact O-CB 3.3Å; D80-F84 PolarHBondContact O-N 2.89Å; I81-F84 PolarHBondContact O-N 3.14Å; F84-F86 VanDerWaalsContact C-N 3.35Å; F84-F86 PolarHBondContact O-N 3Å; F84-N87 PolarHBondContact O-N 2.87Å; F84-E88 HydrophobicContact CD1-CG 4.29Å; F84-E88 HydrophobicContact CE1-CG 3.82Å; F84-E88 HydrophobicContact CZ-CG 3.96Å; F84-E88 PolarHBondContact O-N 3.07Å
85	V	98.8	Very high	98.3	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-41.2	-177.6	169.8	0	0	0	0	111.3	M64 I81 D82 N87 E88 C89 V108 I137	M64-V85 HydrophobicContact CE-CB 4.43Å; M64-V85 HydrophobicContact CE-CG1 3.73Å; I81-V85 WeakPolarHBondContact O-CG2 3.31Å; I81-V85 PolarHBondContact O-N 3.33Å; D82-V85 PolarHBondContact O-N 2.94Å; V85-N87 PolarHBondContact O-N 2.91Å; V85-E88 PolarHBondContact O-N 2.84Å; V85-C89 PolarHBondContact O-N 2.81Å; V85-C89 PolarHBondContact O-SG 2.82Å; V85-V108 HydrophobicContact CB-CB 4.14Å; V85-V108 HydrophobicContact CB-CG1 4.29Å; V85-V108 HydrophobicContact CB-CG2 4.36Å; V85-V108 HydrophobicContact CG1-CB 3.83Å; V85-V108 HydrophobicContact CG1-CG2 4.01Å; V85-V108 HydrophobicContact CG2-CB 4.4Å; V85-V108 HydrophobicContact CG2-CG1 4.47Å; V85-V108 HydrophobicContact CG2-CG2 4.14Å; V85-I137 HydrophobicContact CG1-CG1 4.44Å; V85-I137 HydrophobicContact CG1-CG2 4.3Å; V85-I137 HydrophobicContact CG2-CD1 4.08Å; V85-I137 HydrophobicContact CG2-CG1 4.39Å
86	F	98.7	Very high	98.3	Very high	10 Å²	10	26.7 Å²	26.7	4%	0.044	15%	0.148	C	C	.	.	H	α-helix	trans	-56.7	-51.8	175.1	-179.4	-101.6	0	0	0	111.3	R20 E21 I22 D82 F84 E88 C89 L90 P96 L99 S107	R20-F86 HydrophobicContact CB-CD2 4.38Å; R20-F86 HydrophobicContact CB-CE1 4.37Å; R20-F86 HydrophobicContact CB-CE2 3.58Å; R20-F86 HydrophobicContact CB-CZ 3.58Å; R20-F86 HydrophobicContact CG-CD2 4.05Å; R20-F86 HydrophobicContact CG-CE2 3.75Å; R20-F86 HydrophobicContact CG-CZ 4.04Å; E21-F86 WeakPolarHBondContact O-CZ 3.34Å; I22-F86 HydrophobicContact CD1-CE2 4.36Å; I22-F86 HydrophobicContact CG1-CE2 3.99Å; I22-F86 HydrophobicContact CG1-CZ 3.98Å; D82-F86 WeakPolarHBondContact O-CB 3.44Å; D82-F86 PolarHBondContact O-N 2.93Å; F84-F86 VanDerWaalsContact C-N 3.35Å; F84-F86 PolarHBondContact O-N 3Å; F86-E88 PolarHBondContact O-N 3.48Å; F86-C89 WeakPolarHBondContact O-CB 3.29Å; F86-C89 PolarHBondContact O-N 2.89Å; F86-L90 HydrophobicContact CD1-CD1 4.3Å; F86-L90 HydrophobicContact CD1-CG 4.48Å; F86-L90 HydrophobicContact CE1-CD1 3.58Å; F86-L90 HydrophobicContact CE1-CD2 4.47Å; F86-L90 HydrophobicContact CE1-CG 4.11Å; F86-L90 HydrophobicContact CE2-CD2 4.2Å; F86-L90 HydrophobicContact CZ-CD1 3.79Å; F86-L90 HydrophobicContact CZ-CD2 4.02Å; F86-L90 HydrophobicContact CZ-CG 4.16Å; F86-L90 WeakPolarHBondContact O-CG 3.47Å; F86-L90 PolarHBondContact O-N 3.14Å; F86-L90 VanDerWaalsContact O-N 3.15Å; F86-P96 HydrophobicContact CD2-CG 4.01Å; F86-P96 HydrophobicContact CE2-CG 4.34Å; F86-L99 HydrophobicContact CE2-CD2 4.1Å; F86-S107 WeakPolarHBondContact CD2-OG 3.34Å
87	N	98.4	Very high	98.4	Very high	92 Å²	92	25.7 Å²	25.7	49%	0.492	14%	0.143	S	C	.	.	H	α-helix	trans	-64.3	-38.9	-179	-70.7	-35.3	0	0	0	112.5	D83 F84 V85 L90 S91	D83-N87 WeakPolarHBondContact O-CB 3.46Å; D83-N87 VanDerWaalsContact O-CG 3.24Å; D83-N87 PolarHBondContact O-N 3.29Å; D83-N87 VanDerWaalsContact O-N 3.11Å; D83-N87 PolarHBondContact O-ND2 2.95Å; F84-N87 PolarHBondContact O-N 2.87Å; V85-N87 PolarHBondContact O-N 2.91Å; N87-L90 PolarHBondContact O-N 3.36Å; N87-S91 WeakPolarHBondContact O-CB 3.42Å; N87-S91 PolarHBondContact O-N 2.89Å
88	E	98.4	Very high	98.3	Very high	38 Å²	38	25.8 Å²	25.8	18%	0.178	14%	0.143	C	C	.	.	H	α-helix	trans	-65.7	-37.2	175.9	-83.2	-63	97.3	0	0	112.8	M64 F84 V85 F86 S91 K92	M64-E88 HydrophobicContact CE-CB 3.92Å; M64-E88 HydrophobicContact CG-CB 4.15Å; F84-E88 HydrophobicContact CD1-CG 4.29Å; F84-E88 HydrophobicContact CE1-CG 3.82Å; F84-E88 HydrophobicContact CZ-CG 3.96Å; F84-E88 PolarHBondContact O-N 3.07Å; V85-E88 PolarHBondContact O-N 2.84Å; F86-E88 PolarHBondContact O-N 3.48Å; E88-S91 PolarHBondContact O-N 3.11Å; E88-S91 PolarHBondContact O-OG 3.47Å; E88-S91 PolarHBondContact OE1-OG 2.85Å; E88-K92 WeakPolarHBondContact O-CB 3.46Å; E88-K92 VanDerWaalsContact O-CG 3.31Å; E88-K92 WeakPolarHBondContact O-CG 3.49Å; E88-K92 PolarHBondContact O-N 3.49Å; E88-K92 VanDerWaalsContact O-N 3.1Å; E88-K92 WeakPolarHBondContact OE2-CE 3.24Å; E88-K92 IonicContact OE2-NZ 3.71Å; E88-K92 PolarHBondContact OE2-NZ 2.98Å
89	C	98.5	Very high	98.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.1	-47.4	172	-78.9	0	0	0	0	111.2	M64 V85 F86 S91 K92 S93 V94 P96	M64-C89 VanDerWaalsContact CE-SG 3.54Å; V85-C89 PolarHBondContact O-N 2.81Å; V85-C89 PolarHBondContact O-SG 2.82Å; F86-C89 WeakPolarHBondContact O-CB 3.29Å; F86-C89 PolarHBondContact O-N 2.89Å; C89-S91 PolarHBondContact O-N 2.79Å; C89-K92 CarbonylContact O-C 3.52Å; C89-K92 PolarHBondContact O-N 2.87Å; C89-S93 PolarHBondContact O-N 2.77Å; C89-S93 VanDerWaalsContact O-N 3.09Å; C89-V94 CarbonylContact C-O 3.51Å; C89-V94 HydrophobicContact CB-CG2 4.13Å; C89-V94 WeakPolarHBondContact O-CG2 3.4Å; C89-V94 PolarHBondContact O-N 2.89Å; C89-P96 HydrophobicContact CB-CB 4.25Å; C89-P96 HydrophobicContact CB-CG 4.4Å
90	L	97.5	Very high	98.2	Very high	36 Å²	36	25.9 Å²	25.9	19%	0.188	15%	0.148	C	C	.	.	H	α-helix	trans	-64.4	-43.1	179.8	-52.4	-165	0	0	0	111.9	I22 I26 F86 N87 K92 S93	I22-L90 HydrophobicContact CG2-CD2 4.36Å; I26-L90 HydrophobicContact CD1-CB 4.19Å; I26-L90 HydrophobicContact CD1-CD2 3.63Å; I26-L90 HydrophobicContact CD1-CG 4.46Å; F86-L90 HydrophobicContact CD1-CD1 4.3Å; F86-L90 HydrophobicContact CD1-CG 4.48Å; F86-L90 HydrophobicContact CE1-CD1 3.58Å; F86-L90 HydrophobicContact CE1-CD2 4.47Å; F86-L90 HydrophobicContact CE1-CG 4.11Å; F86-L90 HydrophobicContact CE2-CD2 4.2Å; F86-L90 HydrophobicContact CZ-CD1 3.79Å; F86-L90 HydrophobicContact CZ-CD2 4.02Å; F86-L90 HydrophobicContact CZ-CG 4.16Å; F86-L90 WeakPolarHBondContact O-CG 3.47Å; F86-L90 PolarHBondContact O-N 3.14Å; F86-L90 VanDerWaalsContact O-N 3.15Å; N87-L90 PolarHBondContact O-N 3.36Å; L90-K92 PolarHBondContact O-N 2.84Å; L90-S93 PolarHBondContact O-N 2.97Å
91	S	97.5	Very high	98.1	Very high	75 Å²	75	24.4 Å²	24.4	52%	0.524	14%	0.138	S	C	.	.	H	α-helix	trans	-61.3	-33.1	179.8	79.9	0	0	0	0	111.7	N87 E88 C89 S93	N87-S91 WeakPolarHBondContact O-CB 3.42Å; N87-S91 PolarHBondContact O-N 2.89Å; E88-S91 PolarHBondContact O-N 3.11Å; E88-S91 PolarHBondContact O-OG 3.47Å; E88-S91 PolarHBondContact OE1-OG 2.85Å; C89-S91 PolarHBondContact O-N 2.79Å; S91-S93 VanDerWaalsContact C-N 3.34Å
92	K	97.4	Very high	97.9	Very high	51 Å²	51	32 Å²	32	22%	0.222	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	7.4	176.3	-59.7	-179.3	-156.5	-42.8	0	113.7	I60 M64 E88 C89 L90 V94	I60-K92 HydrophobicContact CG2-CB 4.29Å; I60-K92 HydrophobicContact CG2-CD 3.62Å; M64-K92 HydrophobicContact CG-CD 4.19Å; E88-K92 WeakPolarHBondContact O-CB 3.46Å; E88-K92 VanDerWaalsContact O-CG 3.31Å; E88-K92 WeakPolarHBondContact O-CG 3.49Å; E88-K92 PolarHBondContact O-N 3.49Å; E88-K92 VanDerWaalsContact O-N 3.1Å; E88-K92 WeakPolarHBondContact OE2-CE 3.24Å; E88-K92 IonicContact OE2-NZ 3.71Å; E88-K92 PolarHBondContact OE2-NZ 2.98Å; C89-K92 CarbonylContact O-C 3.52Å; C89-K92 PolarHBondContact O-N 2.87Å; L90-K92 PolarHBondContact O-N 2.84Å; K92-V94 VanDerWaalsContact C-N 3.27Å; K92-V94 HydrophobicContact CB-CG2 4.32Å; K92-V94 PolarHBondContact O-N 3.41Å
93	S	96.6	Very high	97.7	Very high	68 Å²	68	34.6 Å²	34.6	48%	0.476	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	38.3	178.2	-57.5	0	0	0	0	113.7	C89 L90 S91	C89-S93 PolarHBondContact O-N 2.77Å; C89-S93 VanDerWaalsContact O-N 3.09Å; L90-S93 PolarHBondContact O-N 2.97Å; S91-S93 VanDerWaalsContact C-N 3.34Å
94	V	97.9	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.			trans	-121.2	155.3	173.7	-65.4	0	0	0	0	110.3	I60 C89 K92 V139	I60-V94 HydrophobicContact CD1-CG1 3.73Å; I60-V94 HydrophobicContact CG2-CG2 4.12Å; C89-V94 CarbonylContact C-O 3.51Å; C89-V94 HydrophobicContact CB-CG2 4.13Å; C89-V94 WeakPolarHBondContact O-CG2 3.4Å; C89-V94 PolarHBondContact O-N 2.89Å; K92-V94 VanDerWaalsContact C-N 3.27Å; K92-V94 HydrophobicContact CB-CG2 4.32Å; K92-V94 PolarHBondContact O-N 3.41Å; V94-V139 HydrophobicContact CB-CB 4.17Å; V94-V139 HydrophobicContact CG2-CB 3.92Å; V94-V139 HydrophobicContact CG2-CG1 4.04Å; V94-V139 HydrophobicContact CG2-CG2 4.4Å
95	Y	98.4	Very high	97.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	133.1	178.6	179.5	-87.1	0	0	0	110.6	I17 I22 L28 P29 I32 S97 L99 V139 Y140	I17-Y95 HydrophobicContact CD1-CE2 4.13Å; I22-Y95 HydrophobicContact CD1-CD2 3.92Å; I22-Y95 HydrophobicContact CD1-CE2 3.39Å; L28-Y95 HydrophobicContact CD2-CD2 3.54Å; L28-Y95 HydrophobicContact CD2-CE2 3.52Å; P29-Y95 VanDerWaalsContact CD-CD1 3.5Å; P29-Y95 HydrophobicContact CG-CD1 3.66Å; P29-Y95 HydrophobicContact CG-CE1 3.61Å; P29-Y95 HydrophobicContact CG-CG 4.38Å; I32-Y95 HydrophobicContact CG1-CE1 4.49Å; I32-Y95 WeakPolarHBondContact CG1-OH 3.34Å; Y95-S97 PolarHBondContact O-N 3.17Å; Y95-S97 VanDerWaalsContact O-N 3.16Å; Y95-L99 HydrophobicContact CE1-CB 4.43Å; Y95-L99 PolarHBondContact OH-O 3.02Å; Y95-V139 CarbonylContact O-C 3.57Å; Y95-V139 WeakPolarHBondContact O-CA 3.43Å; Y95-Y140 PolarHBondContact N-O 2.67Å; Y95-Y140 PolarHBondContact O-N 3.36Å
96	P	98.6	Very high	97.6	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	104.7	174.5	28.3	-31.5	0	0	0	110.3	F86 C89 P98 L99 S107	F86-P96 HydrophobicContact CD2-CG 4.01Å; F86-P96 HydrophobicContact CE2-CG 4.34Å; C89-P96 HydrophobicContact CB-CB 4.25Å; C89-P96 HydrophobicContact CB-CG 4.4Å; P96-P98 VanDerWaalsContact C-CD 3.49Å; P96-L99 HydrophobicContact CG-CB 4.25Å; P96-L99 HydrophobicContact CG-CD2 4.27Å; P96-L99 WeakPolarHBondContact O-CB 3.42Å; P96-L99 PolarHBondContact O-N 3.05Å; P96-L99 VanDerWaalsContact O-N 3.11Å; P96-S107 WeakPolarHBondContact CB-O 3.29Å
97	S	98.5	Very high	97.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-40.4	-168.2	-43.7	0	0	0	0	114.1	Y31 Y95 L99 Y101 S138 V139 Y140 H145	Y31-S97 VanDerWaalsContact OH-C 3.29Å; Y31-S97 VanDerWaalsContact OH-CA 3.23Å; Y31-S97 WeakPolarHBondContact OH-CA 3.21Å; Y31-S97 PolarHBondContact OH-O 3.43Å; Y95-S97 PolarHBondContact O-N 3.17Å; Y95-S97 VanDerWaalsContact O-N 3.16Å; S97-L99 PolarHBondContact O-N 3.26Å; S97-Y101 WeakPolarHBondContact O-CB 3.41Å; S97-S138 WeakPolarHBondContact CB-O 3.35Å; S97-S138 PolarHBondContact N-O 3.29Å; S97-S138 VanDerWaalsContact OG-C 3.3Å; S97-S138 PolarHBondContact OG-O 3.11Å; S97-S138 VanDerWaalsContact OG-O 3.13Å; S97-V139 WeakPolarHBondContact OG-CA 3.44Å; S97-V139 PolarHBondContact OG-N 3.32Å; S97-Y140 PolarHBondContact OG-N 3.07Å; S97-H145 WeakPolarHBondContact CB-ND1 3.5Å; S97-H145 PolarHBondContact OG-ND1 2.84Å
98	P	98.5	Very high	97.6	Very high	8 Å²	8	30.3 Å²	30.3	5%	0.052	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.5	179.6	-29.1	37	0	0	0	113.8	P96 G100 Y101 F104 K106 S138	P96-P98 VanDerWaalsContact C-CD 3.49Å; P98-G100 PolarHBondContact O-N 3.28Å; P98-Y101 WeakPolarHBondContact O-CB 3.33Å; P98-Y101 PolarHBondContact O-N 3.41Å; P98-F104 HydrophobicContact CB-CD1 3.66Å; P98-F104 HydrophobicContact CB-CE1 3.87Å; P98-F104 WeakPolarHBondContact O-CB 3.34Å; P98-F104 WeakPolarHBondContact O-CD1 3.38Å; P98-K106 CarbonylContact C-O 3.57Å; P98-K106 VanDerWaalsContact C-O 3.25Å; P98-S138 WeakPolarHBondContact CD-O 3.41Å
99	L	98.3	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	115	-175.6	-167.1	65.7	0	0	0	111.2	I17 C18 R20 I22 F86 Y95 P96 S97 Y101 K106	I17-L99 HydrophobicContact CB-CD2 4.47Å; I17-L99 HydrophobicContact CG2-CD2 4.34Å; I17-L99 HydrophobicContact CG2-CG 4.18Å; C18-L99 HydrophobicContact CB-CD1 3.66Å; C18-L99 HydrophobicContact CB-CG 4.3Å; R20-L99 HydrophobicContact CB-CD2 4.07Å; R20-L99 HydrophobicContact CG-CD1 4.22Å; R20-L99 HydrophobicContact CG-CD2 4.13Å; I22-L99 HydrophobicContact CD1-CD2 3.74Å; F86-L99 HydrophobicContact CE2-CD2 4.1Å; Y95-L99 HydrophobicContact CE1-CB 4.43Å; Y95-L99 PolarHBondContact OH-O 3.02Å; P96-L99 HydrophobicContact CG-CB 4.25Å; P96-L99 HydrophobicContact CG-CD2 4.27Å; P96-L99 WeakPolarHBondContact O-CB 3.42Å; P96-L99 PolarHBondContact O-N 3.05Å; P96-L99 VanDerWaalsContact O-N 3.11Å; S97-L99 PolarHBondContact O-N 3.26Å; L99-Y101 PolarHBondContact O-N 3.22Å; L99-K106 WeakPolarHBondContact CA-O 3.44Å; L99-K106 PolarHBondContact N-O 3.2Å; L99-K106 VanDerWaalsContact N-O 3.08Å
100	G	96.5	Very high	97.7	Very high	16 Å²	16	29 Å²	29	17%	0.165	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	-2.5	-178.2	0	0	0	0	0	115	P98 K102 G103 F104	P98-G100 PolarHBondContact O-N 3.28Å; G100-K102 PolarHBondContact O-N 3.29Å; G100-K102 VanDerWaalsContact O-N 3.08Å; G100-G103 PolarHBondContact O-N 3.42Å; G100-G103 VanDerWaalsContact O-N 3.13Å; G100-F104 WeakPolarHBondContact CA-O 3.24Å; G100-F104 PolarHBondContact N-O 3.31Å
101	Y	96.5	Very high	97.7	Very high	27 Å²	27	27.4 Å²	27.4	11%	0.106	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-64.2	113.1	179.6	-178.6	-104.7	0	0	0	110.5	Y31 S97 P98 L99 G103 F104 L229 H230 W289	Y31-Y101 AromaticContact CD1-CD2 3.77Å; Y31-Y101 HydrophobicContact CD1-CD2 3.77Å; Y31-Y101 HydrophobicContact CD1-CE2 4.13Å; Y31-Y101 HydrophobicContact CD2-CD2 4.04Å; Y31-Y101 AromaticContact CE1-CD2 3.67Å; Y31-Y101 HydrophobicContact CE1-CD2 3.67Å; Y31-Y101 HydrophobicContact CE1-CE2 4.26Å; Y31-Y101 AromaticContact CE2-CD2 3.96Å; Y31-Y101 HydrophobicContact CE2-CD2 3.96Å; Y31-Y101 HydrophobicContact CE2-CG 4.47Å; Y31-Y101 AromaticContact CG-CD2 3.95Å; Y31-Y101 HydrophobicContact CG-CD2 3.95Å; Y31-Y101 AromaticContact CZ-CD2 3.78Å; S97-Y101 WeakPolarHBondContact O-CB 3.41Å; P98-Y101 WeakPolarHBondContact O-CB 3.33Å; P98-Y101 PolarHBondContact O-N 3.41Å; L99-Y101 PolarHBondContact O-N 3.22Å; Y101-G103 PolarHBondContact O-N 3.38Å; Y101-F104 WeakPolarHBondContact O-CB 3.44Å; Y101-F104 PolarHBondContact O-N 2.97Å; Y101-L229 HydrophobicContact CD1-CD2 3.97Å; Y101-L229 HydrophobicContact CD2-CB 4.48Å; Y101-L229 HydrophobicContact CD2-CD2 3.91Å; Y101-L229 HydrophobicContact CE1-CD2 4.12Å; Y101-L229 HydrophobicContact CE2-CB 4.04Å; Y101-L229 HydrophobicContact CE2-CD2 4.07Å; Y101-L229 HydrophobicContact CG-CD2 3.87Å; Y101-H230 AromaticContact CE1-CE1 3.73Å; Y101-H230 AromaticContact CE1-ND1 3.36Å; Y101-H230 WeakPolarHBondContact CE1-ND1 3.41Å; Y101-H230 AromaticContact CZ-ND1 3.38Å; Y101-H230 WeakPolarHBondContact OH-CB 3.47Å; Y101-H230 PolarHBondContact OH-ND1 3.44Å; Y101-W289 WeakPolarHBondContact O-CH2 3.33Å
102	K	94.3	Very high	97.8	Very high	159 Å²	159	24.6 Å²	24.6	69%	0.691	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	49.2	28.1	-172.9	-62.2	177.3	177.5	169.4	0	113.6	G100 W289	G100-K102 PolarHBondContact O-N 3.29Å; G100-K102 VanDerWaalsContact O-N 3.08Å; K102-W289 HydrophobicContact CB-CH2 4.02Å; K102-W289 HydrophobicContact CB-CZ2 4.46Å; K102-W289 WeakPolarHBondContact O-CZ2 3.45Å
103	G	95	Very high	97.8	Very high	54 Å²	54	23.4 Å²	23.4	56%	0.557	14%	0.139	S	C	*	.	G	3₁₀ helix	trans	88.5	6.5	-178	0	0	0	0	0	115.5	G100 Y101	G100-G103 PolarHBondContact O-N 3.42Å; G100-G103 VanDerWaalsContact O-N 3.13Å; Y101-G103 PolarHBondContact O-N 3.38Å
104	F	98.1	Very high	97.8	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.018	13%	0.132	C	C	.	.			trans	-61.1	130.5	173.6	-173.3	-97.9	0	0	0	110.1	P98 G100 Y101 K106 C109 I120 W289	P98-F104 HydrophobicContact CB-CD1 3.66Å; P98-F104 HydrophobicContact CB-CE1 3.87Å; P98-F104 WeakPolarHBondContact O-CB 3.34Å; P98-F104 WeakPolarHBondContact O-CD1 3.38Å; G100-F104 WeakPolarHBondContact CA-O 3.24Å; G100-F104 PolarHBondContact N-O 3.31Å; Y101-F104 WeakPolarHBondContact O-CB 3.44Å; Y101-F104 PolarHBondContact O-N 2.97Å; F104-K106 HydrophobicContact CD1-CB 4.4Å; F104-K106 VanDerWaalsContact CD1-O 3.23Å; F104-K106 WeakPolarHBondContact CD1-O 3.42Å; F104-K106 HydrophobicContact CE1-CB 3.73Å; F104-K106 WeakPolarHBondContact CE1-O 3.43Å; F104-K106 HydrophobicContact CZ-CB 4.34Å; F104-C109 HydrophobicContact CZ-CB 4.37Å; F104-C109 VanDerWaalsContact CZ-SG 3.54Å; F104-I120 HydrophobicContact CD2-CG1 4.38Å; F104-I120 HydrophobicContact CE2-CG1 3.65Å; F104-I120 HydrophobicContact CZ-CG1 4.17Å; F104-W289 HydrophobicContact CB-CD2 4.42Å; F104-W289 HydrophobicContact CB-CE3 4.45Å; F104-W289 HydrophobicContact CB-CH2 3.7Å; F104-W289 HydrophobicContact CB-CZ2 3.67Å; F104-W289 HydrophobicContact CB-CZ3 4.11Å; F104-W289 HydrophobicContact CD2-CB 4.44Å; F104-W289 AromaticContact CD2-CD2 3.56Å; F104-W289 HydrophobicContact CD2-CD2 3.56Å; F104-W289 AromaticContact CD2-CE2 3.96Å; F104-W289 AromaticContact CD2-CE3 3.62Å; F104-W289 HydrophobicContact CD2-CE3 3.62Å; F104-W289 AromaticContact CD2-CG 3.93Å; F104-W289 HydrophobicContact CD2-CG 3.93Å; F104-W289 HydrophobicContact CD2-CH2 4.4Å; F104-W289 HydrophobicContact CD2-CZ2 4.38Å; F104-W289 HydrophobicContact CD2-CZ3 4.04Å; F104-W289 HydrophobicContact CE2-CB 4.46Å; F104-W289 HydrophobicContact CE2-CD2 4.37Å; F104-W289 HydrophobicContact CE2-CE3 4.38Å; F104-W289 HydrophobicContact CE2-CG 4.4Å; F104-W289 HydrophobicContact CG-CD2 4.48Å; F104-W289 HydrophobicContact CG-CE3 4.48Å; F104-W289 VanDerWaalsContact N-CZ2 3.29Å
105	P	97.8	Very high	97.8	Very high	48 Å²	48	24.2 Å²	24.2	31%	0.312	14%	0.136	S	C	.	.			trans	-89.5	-4.7	-162.9	31.8	-34.5	0	0	0	115.2	I120	P105-I120 HydrophobicContact CG-CD1 4.09Å; P105-I120 HydrophobicContact CG-CG1 4.33Å; P105-I120 HydrophobicContact CG-CG2 3.86Å
106	K	98.6	Very high	97.8	Very high	51 Å²	51	24.3 Å²	24.3	22%	0.222	14%	0.137	C	C	.	.	S	Bend	trans	-129.5	169.5	-169.4	-60.8	-66.7	177.1	174.8	0	111.9	D82 P98 L99 F104 I120 P121	D82-K106 WeakPolarHBondContact OD2-CD 3.29Å; P98-K106 CarbonylContact C-O 3.57Å; P98-K106 VanDerWaalsContact C-O 3.25Å; L99-K106 WeakPolarHBondContact CA-O 3.44Å; L99-K106 PolarHBondContact N-O 3.2Å; L99-K106 VanDerWaalsContact N-O 3.08Å; F104-K106 HydrophobicContact CD1-CB 4.4Å; F104-K106 VanDerWaalsContact CD1-O 3.23Å; F104-K106 WeakPolarHBondContact CD1-O 3.42Å; F104-K106 HydrophobicContact CE1-CB 3.73Å; F104-K106 WeakPolarHBondContact CE1-O 3.43Å; F104-K106 HydrophobicContact CZ-CB 4.34Å; K106-I120 HydrophobicContact CG-CG2 3.81Å; K106-P121 HydrophobicContact CB-CB 4.46Å; K106-P121 HydrophobicContact CB-CG 3.94Å; K106-P121 HydrophobicContact CD-CB 4.38Å; K106-P121 WeakPolarHBondContact CE-O 3.47Å; K106-P121 HydrophobicContact CG-CB 4.12Å; K106-P121 HydrophobicContact CG-CG 4.09Å
107	S	98.6	Very high	97.8	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	14%	0.137	C	C	.	.	S	Bend	trans	-87.3	-12.7	-172.3	-27.2	0	0	0	0	112.8	D82 F86 P96	D82-S107 WeakPolarHBondContact OD1-CA 3.42Å; D82-S107 WeakPolarHBondContact OD1-CB 3.29Å; D82-S107 PolarHBondContact OD1-N 2.92Å; D82-S107 PolarHBondContact OD1-OG 2.83Å; F86-S107 WeakPolarHBondContact CD2-OG 3.34Å; P96-S107 WeakPolarHBondContact CB-O 3.29Å
108	V	98.8	Very high	97.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-153.3	152	-174.6	70	0	0	0	0	108.8	D82 V85 T110 P121 V135 D136 I137	D82-V108 HydrophobicContact CB-CG1 3.85Å; V85-V108 HydrophobicContact CB-CB 4.14Å; V85-V108 HydrophobicContact CB-CG1 4.29Å; V85-V108 HydrophobicContact CB-CG2 4.36Å; V85-V108 HydrophobicContact CG1-CB 3.83Å; V85-V108 HydrophobicContact CG1-CG2 4.01Å; V85-V108 HydrophobicContact CG2-CB 4.4Å; V85-V108 HydrophobicContact CG2-CG1 4.47Å; V85-V108 HydrophobicContact CG2-CG2 4.14Å; V108-T110 HydrophobicContact CG1-CG2 4.15Å; V108-P121 HydrophobicContact CG1-CG 4.01Å; V108-P121 WeakPolarHBondContact O-CD 3.44Å; V108-P121 VanDerWaalsContact O-CG 3.26Å; V108-P121 WeakPolarHBondContact O-CG 3.2Å; V108-V135 HydrophobicContact CG2-CG1 3.56Å; V108-D136 WeakPolarHBondContact CG2-O 3.32Å; V108-I137 HydrophobicContact CG2-CG1 3.98Å
109	C	98.9	Very high	97.8	Very high	10 Å²	10	27.1 Å²	27.1	7%	0.068	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	136.3	166.9	-54.7	0	0	0	0	109.8	F104 D136	F104-C109 HydrophobicContact CZ-CB 4.37Å; F104-C109 VanDerWaalsContact CZ-SG 3.54Å; C109-D136 HydrophobicContact CB-CB 4.11Å; C109-D136 PolarHBondContact N-O 2.88Å; C109-D136 PolarHBondContact O-N 3.39Å; C109-D136 VanDerWaalsContact O-N 3.15Å
110	T	98.8	Very high	97.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	108.1	177.2	53.3	0	0	0	0	110.1	T78 I81 V108 G119 P121 L133	T78-T110 WeakPolarHBondContact CB-OG1 3.19Å; I81-T110 HydrophobicContact CB-CG2 4.1Å; I81-T110 HydrophobicContact CG2-CG2 3.9Å; V108-T110 HydrophobicContact CG1-CG2 4.15Å; T110-G119 PolarHBondContact N-O 3.2Å; T110-G119 CarbonylContact O-C 3.56Å; T110-G119 WeakPolarHBondContact O-CA 3.44Å; T110-P121 HydrophobicContact CG2-CG 3.97Å; T110-P121 WeakPolarHBondContact OG1-CA 3.31Å; T110-P121 WeakPolarHBondContact OG1-CD 3.49Å; T110-P121 WeakPolarHBondContact OG1-CG 3.02Å; T110-L133 HydrophobicContact CG2-CD1 4.47Å
111	S	98.7	Very high	97.9	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.014	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	102.4	-174.2	-52.2	0	0	0	0	109.8	V115 C117 H118 G119 S134	S111-V115 WeakPolarHBondContact CB-O 3.44Å; S111-C117 VanDerWaalsContact OG-C 3.3Å; S111-C117 VanDerWaalsContact OG-CA 3.24Å; S111-C117 WeakPolarHBondContact OG-CA 3.42Å; S111-H118 PolarHBondContact OG-N 2.88Å; S111-G119 PolarHBondContact OG-N 3.33Å; S111-S134 PolarHBondContact N-O 3.31Å; S111-S134 PolarHBondContact O-N 3.19Å
112	L	98.3	Very high	98	Very high	15 Å²	15	28.8 Å²	28.8	8%	0.079	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133.1	-176.2	-169.3	73.9	0	0	0	110.7	E114 V115 Q125 L127 D131 I132 L133	L112-E114 PolarHBondContact O-N 2.89Å; L112-V115 WeakPolarHBondContact O-CB 3.38Å; L112-V115 VanDerWaalsContact O-CG2 3.3Å; L112-V115 WeakPolarHBondContact O-CG2 3.45Å; L112-V115 PolarHBondContact O-N 3.47Å; L112-Q125 HydrophobicContact CD2-CG 3.58Å; L112-L127 HydrophobicContact CD1-CD2 3.55Å; L112-D131 HydrophobicContact CD1-CB 3.78Å; L112-I132 CarbonylContact C-O 3.56Å; L112-I132 WeakPolarHBondContact CA-O 3.45Å; L112-L133 HydrophobicContact CB-CD1 4.5Å; L112-L133 HydrophobicContact CD1-CB 4.16Å; L112-L133 HydrophobicContact CD1-CD1 4.13Å
113	N	97.5	Very high	98.2	Very high	27 Å²	27	29.1 Å²	29.1	14%	0.144	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	-101.1	170.1	-65.8	-30.7	0	0	0	114.3	V115 D131 I132 L298 T299	N113-V115 VanDerWaalsContact C-N 3.31Å; N113-D131 PolarHBondContact ND2-OD1 3.23Å; N113-D131 WeakPolarHBondContact OD1-CA 3.41Å; N113-D131 PolarHBondContact OD1-OD1 3.5Å; N113-I132 PolarHBondContact N-O 2.81Å; N113-I132 PolarHBondContact OD1-N 3.39Å; N113-L298 HydrophobicContact CB-CD2 3.71Å; N113-T299 PolarHBondContact O-N 3.2Å; N113-T299 PolarHBondContact O-OG1 3.17Å
114	E	96.9	Very high	98.3	Very high	71 Å²	71	31.5 Å²	31.5	33%	0.332	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.6	-179.4	72.7	-87.4	-152.1	0	0	114.5	L112 V116 V292 T293 K296	L112-E114 PolarHBondContact O-N 2.89Å; E114-V116 PolarHBondContact O-N 3.16Å; E114-V292 HydrophobicContact CG-CG1 4.43Å; E114-V292 WeakPolarHBondContact O-CA 3.41Å; E114-T293 PolarHBondContact O-N 3.06Å; E114-K296 HydrophobicContact CB-CB 4.27Å; E114-K296 HydrophobicContact CG-CB 4.34Å
115	V	98.6	Very high	98.3	Very high	14 Å²	14	33.5 Å²	33.5	9%	0.085	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	118.7	175.5	-175.2	0	0	0	0	108.7	S111 L112 N113 T290 V291 V292 T299	S111-V115 WeakPolarHBondContact CB-O 3.44Å; L112-V115 WeakPolarHBondContact O-CB 3.38Å; L112-V115 VanDerWaalsContact O-CG2 3.3Å; L112-V115 WeakPolarHBondContact O-CG2 3.45Å; L112-V115 PolarHBondContact O-N 3.47Å; N113-V115 VanDerWaalsContact C-N 3.31Å; V115-T290 HydrophobicContact CG1-CG2 3.67Å; V115-T290 HydrophobicContact CG2-CG2 4.05Å; V115-V291 CarbonylContact C-O 3.51Å; V115-V291 WeakPolarHBondContact CA-O 3.46Å; V115-V291 WeakPolarHBondContact CG1-O 3.26Å; V115-V292 HydrophobicContact CG2-CG1 4.05Å; V115-T299 VanDerWaalsContact C-OG1 3.24Å; V115-T299 PolarHBondContact O-OG1 3Å
116	V	98.3	Very high	98.3	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	-54.6	-178.6	174.6	0	0	0	0	110.6	E114 V217 V220 C261 V291 T293 T299	E114-V116 PolarHBondContact O-N 3.16Å; V116-V217 HydrophobicContact CG1-CB 4.24Å; V116-V217 HydrophobicContact CG1-CG1 3.92Å; V116-V217 HydrophobicContact CG1-CG2 4.25Å; V116-V217 HydrophobicContact CG2-CG1 4.01Å; V116-V217 HydrophobicContact CG2-CG2 4.2Å; V116-V220 HydrophobicContact CG1-CG1 4.12Å; V116-V220 HydrophobicContact CG1-CG2 4Å; V116-C261 HydrophobicContact CG1-CB 3.65Å; V116-V291 HydrophobicContact CB-CB 4.25Å; V116-V291 HydrophobicContact CB-CG1 4.07Å; V116-V291 WeakPolarHBondContact CB-O 3.25Å; V116-V291 HydrophobicContact CG1-CG1 4.44Å; V116-V291 HydrophobicContact CG2-CG1 4.4Å; V116-V291 PolarHBondContact N-O 3.47Å; V116-T293 HydrophobicContact CG2-CG2 3.71Å; V116-T299 HydrophobicContact CG2-CG2 3.98Å
117	C	98.4	Very high	98.3	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.02	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	173	-179.4	62.2	0	0	0	0	110.6	S111 G119 V291	S111-C117 VanDerWaalsContact OG-C 3.3Å; S111-C117 VanDerWaalsContact OG-CA 3.24Å; S111-C117 WeakPolarHBondContact OG-CA 3.42Å; C117-G119 PolarHBondContact O-N 2.99Å; C117-G119 VanDerWaalsContact O-N 3.07Å; C117-V291 PolarHBondContact O-N 3.38Å; C117-V291 VanDerWaalsContact O-N 3.11Å
118	H	98.4	Very high	98.2	Very high	61 Å²	61	39.1 Å²	39.1	28%	0.282	20%	0.198	S	C	.	.			trans	58.1	19.9	173.2	-46.5	154.9	0	0	0	116	S111 I120 W289	S111-H118 PolarHBondContact OG-N 2.88Å; H118-I120 PolarHBondContact O-N 2.96Å; H118-W289 VanDerWaalsContact CB-O 3.29Å; H118-W289 WeakPolarHBondContact CB-O 3.28Å
119	G	98.4	Very high	97.9	Very high	4 Å²	4	40.9 Å²	40.9	4%	0.041	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-60	132.3	175.7	0	0	0	0	0	111.2	T110 S111 C117 P121	T110-G119 PolarHBondContact N-O 3.2Å; T110-G119 CarbonylContact O-C 3.56Å; T110-G119 WeakPolarHBondContact O-CA 3.44Å; S111-G119 PolarHBondContact OG-N 3.33Å; C117-G119 PolarHBondContact O-N 2.99Å; C117-G119 VanDerWaalsContact O-N 3.07Å; G119-P121 VanDerWaalsContact O-CD 3.29Å; G119-P121 WeakPolarHBondContact O-CD 3.34Å
120	I	98.7	Very high	97.7	Very high	31 Å²	31	40.8 Å²	40.8	16%	0.159	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-85.2	119.5	-180	-64.3	166.9	0	0	0	110	F104 P105 K106 H118 N122 D287 W289	F104-I120 HydrophobicContact CD2-CG1 4.38Å; F104-I120 HydrophobicContact CE2-CG1 3.65Å; F104-I120 HydrophobicContact CZ-CG1 4.17Å; P105-I120 HydrophobicContact CG-CD1 4.09Å; P105-I120 HydrophobicContact CG-CG1 4.33Å; P105-I120 HydrophobicContact CG-CG2 3.86Å; K106-I120 HydrophobicContact CG-CG2 3.81Å; H118-I120 PolarHBondContact O-N 2.96Å; I120-N122 PolarHBondContact O-N 3.47Å; I120-N122 PolarHBondContact O-ND2 3.37Å; I120-D287 HydrophobicContact CD1-CB 4.22Å; I120-W289 HydrophobicContact CD1-CB 3.8Å; I120-W289 HydrophobicContact CD1-CG 4.05Å; I120-W289 HydrophobicContact CG1-CB 4.1Å
121	P	98.8	Very high	97.6	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.013	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-49.1	130	172.4	-30.5	32.7	0	0	0	113.9	D82 K106 V108 T110 G119	D82-P121 HydrophobicContact CB-CB 3.58Å; D82-P121 HydrophobicContact CB-CG 3.74Å; K106-P121 HydrophobicContact CB-CB 4.46Å; K106-P121 HydrophobicContact CB-CG 3.94Å; K106-P121 HydrophobicContact CD-CB 4.38Å; K106-P121 WeakPolarHBondContact CE-O 3.47Å; K106-P121 HydrophobicContact CG-CB 4.12Å; K106-P121 HydrophobicContact CG-CG 4.09Å; V108-P121 HydrophobicContact CG1-CG 4.01Å; V108-P121 WeakPolarHBondContact O-CD 3.44Å; V108-P121 VanDerWaalsContact O-CG 3.26Å; V108-P121 WeakPolarHBondContact O-CG 3.2Å; T110-P121 HydrophobicContact CG2-CG 3.97Å; T110-P121 WeakPolarHBondContact OG1-CA 3.31Å; T110-P121 WeakPolarHBondContact OG1-CD 3.49Å; T110-P121 WeakPolarHBondContact OG1-CG 3.02Å; G119-P121 VanDerWaalsContact O-CD 3.29Å; G119-P121 WeakPolarHBondContact O-CD 3.34Å
122	N	97.4	Very high	97.6	Very high	46 Å²	46	41.2 Å²	41.2	25%	0.246	21%	0.21	C	C	.	.			trans	-144.9	153.1	179.5	72.1	73.6	0	0	0	112.8	T78 Q79 I120 S124 Q125	T78-N122 PolarHBondContact OG1-N 3.44Å; T78-N122 PolarHBondContact OG1-O 3.42Å; Q79-N122 PolarHBondContact N-O 2.76Å; I120-N122 PolarHBondContact O-N 3.47Å; I120-N122 PolarHBondContact O-ND2 3.37Å; N122-S124 VanDerWaalsContact C-N 3.31Å; N122-S124 PolarHBondContact O-N 3.22Å; N122-S124 PolarHBondContact OD1-N 3.46Å; N122-S124 PolarHBondContact OD1-OG 3.03Å; N122-Q125 PolarHBondContact ND2-OE1 2.99Å; N122-Q125 WeakPolarHBondContact OD1-CA 3.27Å; N122-Q125 WeakPolarHBondContact OD1-CB 3.39Å; N122-Q125 PolarHBondContact OD1-N 2.81Å
123	K	98.3	Very high	97.6	Very high	165 Å²	165	40.5 Å²	40.5	72%	0.717	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-24	-176.4	-68.2	-174.2	177.5	-174.4	0	113.7	Q79 I126	Q79-K123 HydrophobicContact CB-CG 3.79Å; Q79-K123 HydrophobicContact CG-CG 3.75Å; K123-I126 WeakPolarHBondContact O-CD1 3.4Å
124	S	98.1	Very high	97.7	Very high	104 Å²	104	39.3 Å²	39.3	73%	0.727	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-19.4	-176.4	45.2	0	0	0	0	113.8	N122 I126	N122-S124 VanDerWaalsContact C-N 3.31Å; N122-S124 PolarHBondContact O-N 3.22Å; N122-S124 PolarHBondContact OD1-N 3.46Å; N122-S124 PolarHBondContact OD1-OG 3.03Å; S124-I126 PolarHBondContact O-N 3.47Å
125	Q	97.8	Very high	97.8	Very high	47 Å²	47	35.9 Å²	35.9	22%	0.22	18%	0.184	C	C	.	.			trans	-90.2	87.2	-177.4	-176.1	175.7	-28.1	0	0	109.2	S77 T78 L112 N122	S77-Q125 CarbonylContact C-O 3.54Å; S77-Q125 VanDerWaalsContact CA-O 3.31Å; S77-Q125 WeakPolarHBondContact CA-O 3.44Å; T78-Q125 HydrophobicContact CG2-CB 4.37Å; T78-Q125 HydrophobicContact CG2-CG 3.95Å; T78-Q125 PolarHBondContact N-O 3.43Å; L112-Q125 HydrophobicContact CD2-CG 3.58Å; N122-Q125 PolarHBondContact ND2-OE1 2.99Å; N122-Q125 WeakPolarHBondContact OD1-CA 3.27Å; N122-Q125 WeakPolarHBondContact OD1-CB 3.39Å; N122-Q125 PolarHBondContact OD1-N 2.81Å
126	I	98.5	Very high	97.8	Very high	74 Å²	74	35.9 Å²	35.9	38%	0.379	18%	0.184	S	C	.	.	B	Isolated β-bridge	trans	-86.5	128.1	-178.6	-52.8	-53.5	0	0	0	110.2	L76 K123 S124	L76-I126 CarbonylContact O-C 3.5Å; L76-I126 WeakPolarHBondContact O-CA 3.48Å; K123-I126 WeakPolarHBondContact O-CD1 3.4Å; S124-I126 PolarHBondContact O-N 3.47Å
127	L	98.2	Very high	97.8	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	18%	0.184	C	C	.	.			trans	-67.2	132.6	176.9	-56.2	-176.8	0	0	0	110.7	I72 P74 G75 L76 T78 I81 L112 L133 V154	I72-L127 HydrophobicContact CG2-CD1 4.22Å; P74-L127 WeakPolarHBondContact CA-O 3.46Å; G75-L127 PolarHBondContact N-O 2.92Å; L76-L127 HydrophobicContact CB-CD1 4.25Å; L76-L127 WeakPolarHBondContact O-CB 3.39Å; L76-L127 WeakPolarHBondContact O-CG 3.49Å; L76-L127 PolarHBondContact O-N 2.93Å; T78-L127 HydrophobicContact CG2-CD2 4.27Å; I81-L127 HydrophobicContact CD1-CD1 4.32Å; L112-L127 HydrophobicContact CD1-CD2 3.55Å; L127-L133 HydrophobicContact CD1-CD2 3.89Å; L127-L133 HydrophobicContact CD2-CD1 4.25Å; L127-L133 HydrophobicContact CD2-CD2 4.02Å; L127-L133 HydrophobicContact CD2-CG 4.49Å; L127-V154 HydrophobicContact CB-CG1 4.11Å; L127-V154 HydrophobicContact CB-CG2 4.29Å; L127-V154 HydrophobicContact CD1-CG2 4.29Å
128	K	95.6	Very high	97.8	Very high	142 Å²	142	36 Å²	36	62%	0.617	19%	0.185	S	C	*	.			trans	-114.7	158.9	177.8	-60.7	173.1	-174.5	172.7	0	110.2	G130 D131 V154	K128-G130 PolarHBondContact O-N 2.67Å; K128-D131 WeakPolarHBondContact CB-OD2 3.4Å; K128-D131 PolarHBondContact N-OD2 3.47Å; K128-D131 WeakPolarHBondContact O-CB 3.38Å; K128-D131 PolarHBondContact O-N 3.36Å; K128-D131 VanDerWaalsContact O-N 3.14Å; K128-V154 WeakPolarHBondContact O-CB 3.48Å; K128-V154 WeakPolarHBondContact O-CG1 3.42Å
129	L	94	Very high	97.8	Very high	37 Å²	37	33.1 Å²	33.1	19%	0.194	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	126.9	173.9	-176.9	65.2	0	0	0	110.4	P74 G155 Y162 A167 I171	P74-L129 HydrophobicContact CG-CB 4.3Å; P74-L129 HydrophobicContact CG-CD1 4.42Å; L129-G155 WeakPolarHBondContact CD1-O 3.33Å; L129-Y162 HydrophobicContact CD1-CE2 3.9Å; L129-Y162 HydrophobicContact CD2-CD1 3.84Å; L129-Y162 HydrophobicContact CD2-CD2 3.84Å; L129-Y162 HydrophobicContact CD2-CE1 3.67Å; L129-Y162 HydrophobicContact CD2-CE2 3.63Å; L129-Y162 HydrophobicContact CD2-CG 3.94Å; L129-Y162 HydrophobicContact CG-CE2 4.43Å; L129-A167 HydrophobicContact CD2-CB 3.8Å; L129-A167 HydrophobicContact CG-CB 4.46Å; L129-I171 HydrophobicContact CD1-CD1 3.91Å; L129-I171 HydrophobicContact CG-CD1 4.05Å
130	G	93.8	Very high	97.8	Very high	8 Å²	8	33.9 Å²	33.9	8%	0.082	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	1.3	-179.7	0	0	0	0	0	115.7	K128 V154	K128-G130 PolarHBondContact O-N 2.67Å; G130-V154 PolarHBondContact N-O 3.44Å
131	D	97.1	Very high	97.6	Very high	11 Å²	11	32.8 Å²	32.8	6%	0.059	17%	0.168	C	C	.	.			trans	-64.6	148.4	170.5	-77.3	-20.3	0	0	0	111	L112 N113 K128 V154	L112-D131 HydrophobicContact CD1-CB 3.78Å; N113-D131 PolarHBondContact ND2-OD1 3.23Å; N113-D131 WeakPolarHBondContact OD1-CA 3.41Å; N113-D131 PolarHBondContact OD1-OD1 3.5Å; K128-D131 WeakPolarHBondContact CB-OD2 3.4Å; K128-D131 PolarHBondContact N-OD2 3.47Å; K128-D131 WeakPolarHBondContact O-CB 3.38Å; K128-D131 PolarHBondContact O-N 3.36Å; K128-D131 VanDerWaalsContact O-N 3.14Å; D131-V154 HydrophobicContact CB-CB 4.32Å; D131-V154 HydrophobicContact CB-CG2 4.03Å; D131-V154 PolarHBondContact O-N 3.43Å
132	I	98.2	Very high	97.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.9	166.3	-57.1	172.5	0	0	0	107.9	L112 N113 F152 A174 L177 L298 A300	L112-I132 CarbonylContact C-O 3.56Å; L112-I132 WeakPolarHBondContact CA-O 3.45Å; N113-I132 PolarHBondContact N-O 2.81Å; N113-I132 PolarHBondContact OD1-N 3.39Å; I132-F152 WeakPolarHBondContact CA-O 3.39Å; I132-A174 HydrophobicContact CD1-CB 3.98Å; I132-A174 HydrophobicContact CG1-CB 3.49Å; I132-A174 VanDerWaalsContact CG1-CB 3.49Å; I132-L177 HydrophobicContact CD1-CB 4.25Å; I132-L177 HydrophobicContact CD1-CD2 3.69Å; I132-L177 HydrophobicContact CD1-CG 4.39Å; I132-L298 HydrophobicContact CD1-CB 4.33Å; I132-L298 HydrophobicContact CD1-CD1 4.42Å; I132-A300 HydrophobicContact CG2-CB 4.24Å
133	L	98.7	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	105.8	174.3	177.4	68.2	0	0	0	109.6	I72 T78 I81 T110 L112 L127 V135 S151 F152 V154	I72-L133 HydrophobicContact CD1-CD2 3.99Å; I72-L133 HydrophobicContact CG1-CD2 4.43Å; T78-L133 HydrophobicContact CG2-CD1 4.2Å; I81-L133 HydrophobicContact CD1-CD2 4.42Å; I81-L133 HydrophobicContact CG1-CD2 4.08Å; T110-L133 HydrophobicContact CG2-CD1 4.47Å; L112-L133 HydrophobicContact CB-CD1 4.5Å; L112-L133 HydrophobicContact CD1-CB 4.16Å; L112-L133 HydrophobicContact CD1-CD1 4.13Å; L127-L133 HydrophobicContact CD1-CD2 3.89Å; L127-L133 HydrophobicContact CD2-CD1 4.25Å; L127-L133 HydrophobicContact CD2-CD2 4.02Å; L127-L133 HydrophobicContact CD2-CG 4.49Å; L133-V135 HydrophobicContact CD1-CG2 4.43Å; L133-V135 HydrophobicContact CD2-CG2 3.8Å; L133-V135 HydrophobicContact CG-CG2 3.69Å; L133-S151 WeakPolarHBondContact O-CA 3.26Å; L133-F152 PolarHBondContact N-O 2.83Å; L133-F152 PolarHBondContact O-N 2.65Å; L133-V154 HydrophobicContact CB-CG2 4.39Å
134	S	98.9	Very high	97.2	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	124.4	167.8	-40.6	0	0	0	0	109.1	S111 S151	S111-S134 PolarHBondContact N-O 3.31Å; S111-S134 PolarHBondContact O-N 3.19Å; S134-S151 PolarHBondContact OG-OG 2.72Å
135	V	98.9	Very high	97.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.6	177.3	-171.9	0	0	0	0	108.3	F65 L68 I81 V108 L133 I137 C149 H150 F152	F65-V135 HydrophobicContact CE1-CB 4.42Å; F65-V135 VanDerWaalsContact CE1-O 3.3Å; F65-V135 WeakPolarHBondContact CE1-O 3.02Å; F65-V135 WeakPolarHBondContact CZ-O 3.44Å; L68-V135 HydrophobicContact CD2-CB 3.98Å; L68-V135 HydrophobicContact CD2-CG1 3.76Å; L68-V135 HydrophobicContact CD2-CG2 3.95Å; I81-V135 HydrophobicContact CG2-CG1 4.17Å; I81-V135 HydrophobicContact CG2-CG2 4.22Å; V108-V135 HydrophobicContact CG2-CG1 3.56Å; L133-V135 HydrophobicContact CD1-CG2 4.43Å; L133-V135 HydrophobicContact CD2-CG2 3.8Å; L133-V135 HydrophobicContact CG-CG2 3.69Å; V135-I137 HydrophobicContact CG1-CD1 4.35Å; V135-I137 HydrophobicContact CG1-CG1 3.94Å; V135-C149 WeakPolarHBondContact O-CA 3.23Å; V135-H150 PolarHBondContact N-O 3.26Å; V135-H150 PolarHBondContact O-N 3.03Å; V135-F152 HydrophobicContact CB-CE2 4.23Å; V135-F152 HydrophobicContact CG2-CD2 4.06Å; V135-F152 HydrophobicContact CG2-CE2 4.19Å
136	D	98.9	Very high	97.2	Very high	13 Å²	13	22.4 Å²	22.4	7%	0.07	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	110.1	-176.9	173.8	-22.1	0	0	0	108.2	V108 C109 C149	V108-D136 WeakPolarHBondContact CG2-O 3.32Å; C109-D136 HydrophobicContact CB-CB 4.11Å; C109-D136 PolarHBondContact N-O 2.88Å; C109-D136 PolarHBondContact O-N 3.39Å; C109-D136 VanDerWaalsContact O-N 3.15Å; D136-C149 HydrophobicContact CB-CB 3.94Å
137	I	98.9	Very high	97.2	Very high	2 Å²	2	19 Å²	19	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107.1	-174.3	-55.3	179.5	0	0	0	108.3	I61 M64 F65 L68 V85 V108 V135 V139 A148	I61-I137 VanDerWaalsContact CD1-O 3.24Å; I61-I137 WeakPolarHBondContact CD1-O 3.46Å; I61-I137 HydrophobicContact CG1-CG2 4.08Å; I61-I137 HydrophobicContact CG2-CB 4.05Å; I61-I137 HydrophobicContact CG2-CG2 4.25Å; M64-I137 HydrophobicContact CB-CD1 4.12Å; M64-I137 HydrophobicContact CE-CD1 4.36Å; M64-I137 HydrophobicContact CE-CG2 3.71Å; M64-I137 HydrophobicContact SD-CG2 4.15Å; F65-I137 HydrophobicContact CD1-CD1 3.77Å; F65-I137 HydrophobicContact CE1-CB 4.49Å; F65-I137 HydrophobicContact CE1-CD1 3.56Å; F65-I137 HydrophobicContact CE1-CG1 3.81Å; F65-I137 HydrophobicContact CG-CD1 4.48Å; F65-I137 HydrophobicContact CZ-CB 4.27Å; F65-I137 HydrophobicContact CZ-CD1 4.12Å; F65-I137 HydrophobicContact CZ-CG1 4.08Å; L68-I137 HydrophobicContact CD2-CD1 4.48Å; V85-I137 HydrophobicContact CG1-CG1 4.44Å; V85-I137 HydrophobicContact CG1-CG2 4.3Å; V85-I137 HydrophobicContact CG2-CD1 4.08Å; V85-I137 HydrophobicContact CG2-CG1 4.39Å; V108-I137 HydrophobicContact CG2-CG1 3.98Å; V135-I137 HydrophobicContact CG1-CD1 4.35Å; V135-I137 HydrophobicContact CG1-CG1 3.94Å; I137-V139 HydrophobicContact CG2-CG1 4.09Å; I137-A148 PolarHBondContact N-O 3.5Å; I137-A148 PolarHBondContact O-N 3.14Å
138	S	98.8	Very high	97.3	Very high	6 Å²	6	19 Å²	19	4%	0.042	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.2	167.6	-1	0	0	0	0	111.7	S97 P98 G146 D147	S97-S138 WeakPolarHBondContact CB-O 3.35Å; S97-S138 PolarHBondContact N-O 3.29Å; S97-S138 VanDerWaalsContact OG-C 3.3Å; S97-S138 PolarHBondContact OG-O 3.11Å; S97-S138 VanDerWaalsContact OG-O 3.13Å; P98-S138 WeakPolarHBondContact CD-O 3.41Å; S138-G146 CarbonylContact C-O 3.25Å; S138-G146 WeakPolarHBondContact CA-O 3.4Å; S138-G146 WeakPolarHBondContact CB-O 3.42Å; S138-D147 WeakPolarHBondContact CB-OD1 3.35Å; S138-D147 VanDerWaalsContact OG-CG 3.23Å; S138-D147 PolarHBondContact OG-OD1 3.38Å; S138-D147 PolarHBondContact OG-OD2 3.47Å
139	V	98.7	Very high	97.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.8	-179.6	-54	0	0	0	0	111.6	A57 I60 I61 M64 V94 Y95 S97 I137 H145 G146	A57-V139 HydrophobicContact CB-CG2 3.88Å; I60-V139 HydrophobicContact CG2-CG2 4.47Å; I61-V139 HydrophobicContact CD1-CG2 4Å; I61-V139 HydrophobicContact CG1-CG1 4Å; I61-V139 HydrophobicContact CG1-CG2 3.91Å; M64-V139 HydrophobicContact SD-CG1 4.27Å; V94-V139 HydrophobicContact CB-CB 4.17Å; V94-V139 HydrophobicContact CG2-CB 3.92Å; V94-V139 HydrophobicContact CG2-CG1 4.04Å; V94-V139 HydrophobicContact CG2-CG2 4.4Å; Y95-V139 CarbonylContact O-C 3.57Å; Y95-V139 WeakPolarHBondContact O-CA 3.43Å; S97-V139 WeakPolarHBondContact OG-CA 3.44Å; S97-V139 PolarHBondContact OG-N 3.32Å; I137-V139 HydrophobicContact CG2-CG1 4.09Å; V139-H145 CarbonylContact O-C 3.47Å; V139-H145 VanDerWaalsContact O-CA 3.25Å; V139-H145 WeakPolarHBondContact O-CA 3.35Å; V139-G146 PolarHBondContact N-O 3.23Å; V139-G146 PolarHBondContact O-N 3.35Å
140	Y	98.4	Very high	97.6	Very high	19 Å²	19	13.1 Å²	13.1	8%	0.075	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.4	171.6	-178.3	-113	0	0	0	110.2	L28 P29 Y95 S97 G142 V144 H145	L28-Y140 WeakPolarHBondContact O-CE1 3.3Å; P29-Y140 HydrophobicContact CB-CD1 3.82Å; P29-Y140 HydrophobicContact CB-CD2 4.25Å; P29-Y140 HydrophobicContact CB-CE1 4.1Å; P29-Y140 HydrophobicContact CB-CG 3.89Å; P29-Y140 HydrophobicContact CG-CD1 4.42Å; Y95-Y140 PolarHBondContact N-O 2.67Å; Y95-Y140 PolarHBondContact O-N 3.36Å; S97-Y140 PolarHBondContact OG-N 3.07Å; Y140-G142 VanDerWaalsContact C-N 3.29Å; Y140-G142 PolarHBondContact O-N 2.89Å; Y140-G142 VanDerWaalsContact OH-C 3.31Å; Y140-G142 PolarHBondContact OH-O 2.83Å; Y140-G142 VanDerWaalsContact OH-O 3.06Å; Y140-V144 WeakPolarHBondContact CD2-O 3.38Å; Y140-H145 AromaticContact CD2-CD2 3.63Å; Y140-H145 AromaticContact CD2-CE1 3.5Å; Y140-H145 VanDerWaalsContact CD2-CE1 3.5Å; Y140-H145 WeakPolarHBondContact CD2-CE1 3.42Å; Y140-H145 AromaticContact CD2-CG 3.92Å; Y140-H145 AromaticContact CD2-ND1 3.83Å; Y140-H145 AromaticContact CD2-NE2 3.37Å; Y140-H145 WeakPolarHBondContact CD2-NE2 3.48Å; Y140-H145 AromaticContact CE2-NE2 3.9Å; Y140-H145 AromaticContact CG-CE1 3.84Å
141	S	94.4	Very high	97.9	Very high	9 Å²	9	13 Å²	13	6%	0.063	6%	0.064	C	C	.	.			trans	-83.4	-7.8	-171.2	90.3	0	0	0	0	113.6	R56 Y143 V144	R56-S141 VanDerWaalsContact NH2-CB 3.25Å; R56-S141 PolarHBondContact NH2-O 2.97Å; S141-Y143 PolarHBondContact OG-N 2.86Å; S141-V144 WeakPolarHBondContact CB-O 3.48Å; S141-V144 PolarHBondContact N-O 3.24Å; S141-V144 PolarHBondContact OG-N 3.26Å; S141-V144 PolarHBondContact OG-O 3.2Å
142	G	94.2	Very high	97.9	Very high	15 Å²	15	13.1 Å²	13.1	16%	0.155	6%	0.064	C	C	.	.	S	Bend	trans	96.7	-11.7	-163.7	0	0	0	0	0	114.3	P27 Y140	P27-G142 VanDerWaalsContact CB-CA 3.47Å; Y140-G142 VanDerWaalsContact C-N 3.29Å; Y140-G142 PolarHBondContact O-N 2.89Å; Y140-G142 VanDerWaalsContact OH-C 3.31Å; Y140-G142 PolarHBondContact OH-O 2.83Å; Y140-G142 VanDerWaalsContact OH-O 3.06Å
143	Y	93.5	Very high	97.9	Very high	128 Å²	128	14.1 Å²	14.1	50%	0.502	7%	0.07	S	C	.	.	S	Bend	trans	-133.3	-40.8	177.5	-64.3	-81.3	0	0	0	113	R49 S141 P227	R49-Y143 VanDerWaalsContact NH2-CE1 3.3Å; S141-Y143 PolarHBondContact OG-N 2.86Å; Y143-P227 WeakPolarHBondContact O-CA 3.42Å
144	V	97.3	Very high	97.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.07	C	C	.	.			trans	-142	161.9	-177.5	-58.3	0	0	0	0	110.5	N50 E53 C54 Y140 S141 G226 P227	N50-V144 HydrophobicContact CB-CG1 4.06Å; E53-V144 VanDerWaalsContact C-CG2 3.48Å; E53-V144 HydrophobicContact CB-CG1 4.48Å; E53-V144 HydrophobicContact CB-CG2 3.42Å; E53-V144 VanDerWaalsContact CB-CG2 3.42Å; C54-V144 HydrophobicContact CB-CG2 4.33Å; C54-V144 VanDerWaalsContact SG-CG2 3.54Å; Y140-V144 WeakPolarHBondContact CD2-O 3.38Å; S141-V144 WeakPolarHBondContact CB-O 3.48Å; S141-V144 PolarHBondContact N-O 3.24Å; S141-V144 PolarHBondContact OG-N 3.26Å; S141-V144 PolarHBondContact OG-O 3.2Å; V144-G226 CarbonylContact C-O 3.47Å; V144-G226 VanDerWaalsContact CA-O 3.26Å; V144-G226 WeakPolarHBondContact CA-O 3.24Å; V144-G226 WeakPolarHBondContact CB-O 3.48Å; V144-P227 HydrophobicContact CG1-CG 4.21Å
145	H	98.4	Very high	97.3	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	148.6	169.3	-62	-92.7	0	0	0	110.6	Y31 C54 S97 V139 Y140 I225 G226 L229	Y31-H145 AromaticContact CE1-CE1 3.7Å; Y31-H145 AromaticContact CE1-NE2 3.97Å; C54-H145 PolarHBondContact SG-O 3.04Å; S97-H145 WeakPolarHBondContact CB-ND1 3.5Å; S97-H145 PolarHBondContact OG-ND1 2.84Å; V139-H145 CarbonylContact O-C 3.47Å; V139-H145 VanDerWaalsContact O-CA 3.25Å; V139-H145 WeakPolarHBondContact O-CA 3.35Å; Y140-H145 AromaticContact CD2-CD2 3.63Å; Y140-H145 AromaticContact CD2-CE1 3.5Å; Y140-H145 VanDerWaalsContact CD2-CE1 3.5Å; Y140-H145 WeakPolarHBondContact CD2-CE1 3.42Å; Y140-H145 AromaticContact CD2-CG 3.92Å; Y140-H145 AromaticContact CD2-ND1 3.83Å; Y140-H145 AromaticContact CD2-NE2 3.37Å; Y140-H145 WeakPolarHBondContact CD2-NE2 3.48Å; Y140-H145 AromaticContact CE2-NE2 3.9Å; Y140-H145 AromaticContact CG-CE1 3.84Å; H145-I225 HydrophobicContact CB-CD1 3.82Å; H145-I225 HydrophobicContact CB-CG1 3.88Å; H145-G226 PolarHBondContact N-O 3.43Å; H145-L229 HydrophobicContact CB-CD1 3.89Å; H145-L229 PolarHBondContact CD2-N 3.45Å; H145-L229 VanDerWaalsContact CD2-N 3.33Å
146	G	98.3	Very high	96.4	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.01	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	151	155.7	0	0	0	0	0	108.3	I61 S138 V139	I61-G146 WeakPolarHBondContact CD1-O 3.36Å; S138-G146 CarbonylContact C-O 3.25Å; S138-G146 WeakPolarHBondContact CA-O 3.4Å; S138-G146 WeakPolarHBondContact CB-O 3.42Å; V139-G146 PolarHBondContact N-O 3.23Å; V139-G146 PolarHBondContact O-N 3.35Å
147	D	98.8	Very high	95.1	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	137.8	-178.2	-149	-2.8	0	0	0	111.8	S138 H223 I225 T257 T305 T317	S138-D147 WeakPolarHBondContact CB-OD1 3.35Å; S138-D147 VanDerWaalsContact OG-CG 3.23Å; S138-D147 PolarHBondContact OG-OD1 3.38Å; S138-D147 PolarHBondContact OG-OD2 3.47Å; D147-H223 IonicContact OD2-CE1 2.71Å; D147-H223 IonicContact OD2-NE2 3.28Å; D147-I225 HydrophobicContact CB-CD1 3.48Å; D147-I225 VanDerWaalsContact CB-CD1 3.48Å; D147-T257 HydrophobicContact CB-CG2 4.29Å; D147-T305 PolarHBondContact N-OG1 2.99Å; D147-T305 PolarHBondContact O-N 3.17Å; D147-T305 PolarHBondContact O-OG1 3.49Å; D147-T317 WeakPolarHBondContact O-CG2 3.43Å
148	A	98.7	Very high	93.2	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.017	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	150.4	174.6	0	0	0	0	0	111.1	I61 F65 I137 T317	I61-A148 HydrophobicContact CG2-CB 3.97Å; F65-A148 HydrophobicContact CE2-CB 3.84Å; F65-A148 HydrophobicContact CZ-CB 4.48Å; F65-A148 VanDerWaalsContact CZ-O 3.29Å; F65-A148 WeakPolarHBondContact CZ-O 3.42Å; I137-A148 PolarHBondContact N-O 3.5Å; I137-A148 PolarHBondContact O-N 3.14Å; A148-T317 HydrophobicContact CB-CG2 3.9Å
149	C	98.8	Very high	90.9	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.02	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.9	177.1	-178.6	0	0	0	0	110.7	V135 D136 Q301 F302 E303	V135-C149 WeakPolarHBondContact O-CA 3.23Å; D136-C149 HydrophobicContact CB-CB 3.94Å; C149-Q301 HydrophobicContact CB-CG 4.27Å; C149-Q301 PolarHBondContact SG-OE1 2.94Å; C149-F302 WeakPolarHBondContact O-CA 3.44Å; C149-E303 HydrophobicContact CB-CB 3.87Å; C149-E303 PolarHBondContact N-OE2 3.47Å; C149-E303 PolarHBondContact O-N 3.47Å
150	H	98.7	Very high	88.7	Confident	52 Å²	52	34.1 Å²	34.1	24%	0.241	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	130.4	176.7	-159.2	111.6	0	0	0	110.3	F65 V135 F152 F302	F65-H150 HydrophobicContact CD1-CB 3.82Å; F65-H150 HydrophobicContact CD2-CB 4.3Å; F65-H150 HydrophobicContact CE1-CB 3.61Å; F65-H150 HydrophobicContact CE2-CB 4.1Å; F65-H150 HydrophobicContact CG-CB 4.17Å; F65-H150 HydrophobicContact CZ-CB 3.76Å; V135-H150 PolarHBondContact N-O 3.26Å; V135-H150 PolarHBondContact O-N 3.03Å; H150-F152 HydrophobicContact CB-CE2 3.91Å; H150-F152 HydrophobicContact CB-CZ 4.05Å; H150-F152 AromaticContact CD2-CE1 3.84Å; H150-F152 AromaticContact CD2-CZ 3.77Å; H150-F152 WeakPolarHBondContact O-CD2 3.46Å; H150-F152 WeakPolarHBondContact O-CE2 3.33Å; H150-F302 AromaticContact CD2-CE1 3.54Å; H150-F302 AromaticContact CE1-CE1 3.63Å; H150-F302 AromaticContact CG-CE1 3.69Å; H150-F302 AromaticContact ND1-CE1 3.74Å; H150-F302 AromaticContact NE2-CE1 3.48Å; H150-F302 WeakPolarHBondContact NE2-CE1 3.04Å
151	S	98.7	Very high	86.6	Confident	5 Å²	5	40.3 Å²	40.3	4%	0.035	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.3	173.6	-57.4	0	0	0	0	111.9	L133 S134 Q301 F302	L133-S151 WeakPolarHBondContact O-CA 3.26Å; S134-S151 PolarHBondContact OG-OG 2.72Å; S151-Q301 PolarHBondContact N-O 3.27Å; S151-Q301 PolarHBondContact OG-N 2.93Å; S151-Q301 PolarHBondContact OG-O 3.46Å; S151-F302 VanDerWaalsContact O-CZ 3.3Å; S151-F302 WeakPolarHBondContact O-CZ 3.4Å
152	F	98.2	Very high	84.8	Confident	14 Å²	14	45.1 Å²	45.1	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	142.1	176.1	-60.6	-87.4	0	0	0	110.6	F65 L68 E69 I72 I132 L133 V135 H150	F65-F152 HydrophobicContact CB-CZ 4.45Å; F65-F152 AromaticContact CD1-CE2 3.98Å; F65-F152 HydrophobicContact CD1-CE2 3.98Å; F65-F152 AromaticContact CD1-CZ 3.77Å; F65-F152 HydrophobicContact CD1-CZ 3.77Å; F65-F152 HydrophobicContact CE1-CE2 4.29Å; F65-F152 HydrophobicContact CG-CZ 4.48Å; L68-F152 HydrophobicContact CD2-CE2 3.91Å; L68-F152 HydrophobicContact CD2-CZ 4.25Å; E69-F152 HydrophobicContact CB-CD1 4.44Å; E69-F152 HydrophobicContact CB-CE1 3.87Å; E69-F152 HydrophobicContact CG-CD1 4.5Å; E69-F152 HydrophobicContact CG-CE1 4.28Å; I72-F152 HydrophobicContact CD1-CB 3.87Å; I72-F152 HydrophobicContact CD1-CD1 4.08Å; I72-F152 HydrophobicContact CD1-CD2 3.53Å; I72-F152 HydrophobicContact CD1-CE2 4.08Å; I72-F152 HydrophobicContact CD1-CG 3.54Å; I132-F152 WeakPolarHBondContact CA-O 3.39Å; L133-F152 PolarHBondContact N-O 2.83Å; L133-F152 PolarHBondContact O-N 2.65Å; V135-F152 HydrophobicContact CB-CE2 4.23Å; V135-F152 HydrophobicContact CG2-CD2 4.06Å; V135-F152 HydrophobicContact CG2-CE2 4.19Å; H150-F152 HydrophobicContact CB-CE2 3.91Å; H150-F152 HydrophobicContact CB-CZ 4.05Å; H150-F152 AromaticContact CD2-CE1 3.84Å; H150-F152 AromaticContact CD2-CZ 3.77Å; H150-F152 WeakPolarHBondContact O-CD2 3.46Å; H150-F152 WeakPolarHBondContact O-CE2 3.33Å
153	V	97.6	Very high	83.2	Confident	22 Å²	22	50.7 Å²	50.7	13%	0.133	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	115	168.5	-177.2	0	0	0	0	108.3	G155 V156 I171 A174 V175 C178	V153-G155 PolarHBondContact O-N 3.17Å; V153-V156 HydrophobicContact CB-CB 4.35Å; V153-V156 HydrophobicContact CG1-CB 4.35Å; V153-I171 HydrophobicContact CG1-CG2 4.37Å; V153-A174 HydrophobicContact CB-CB 4.45Å; V153-A174 HydrophobicContact CG1-CB 3.71Å; V153-A174 HydrophobicContact CG2-CB 3.92Å; V153-V175 HydrophobicContact CB-CG2 4.41Å; V153-V175 HydrophobicContact CG1-CG2 4.26Å; V153-V175 HydrophobicContact CG2-CG2 4.05Å; V153-C178 HydrophobicContact CG2-CB 4.48Å
154	V	96.6	Very high	82.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	119.5	-172.3	-179.2	0	0	0	0	110.3	I72 P74 L127 K128 G130 D131 L133	I72-V154 HydrophobicContact CG2-CG1 4.48Å; I72-V154 HydrophobicContact CG2-CG2 4.01Å; P74-V154 HydrophobicContact CB-CG1 4.47Å; P74-V154 HydrophobicContact CG-CG1 3.89Å; L127-V154 HydrophobicContact CB-CG1 4.11Å; L127-V154 HydrophobicContact CB-CG2 4.29Å; L127-V154 HydrophobicContact CD1-CG2 4.29Å; K128-V154 WeakPolarHBondContact O-CB 3.48Å; K128-V154 WeakPolarHBondContact O-CG1 3.42Å; G130-V154 PolarHBondContact N-O 3.44Å; D131-V154 HydrophobicContact CB-CB 4.32Å; D131-V154 HydrophobicContact CB-CG2 4.03Å; D131-V154 PolarHBondContact O-N 3.43Å; L133-V154 HydrophobicContact CB-CG2 4.39Å
155	G	89	Confident	81.4	Confident	13 Å²	13	55.7 Å²	55.7	13%	0.134	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	25.8	175.6	0	0	0	0	0	115.1	L129 V153 D157 S158	L129-G155 WeakPolarHBondContact CD1-O 3.33Å; V153-G155 PolarHBondContact O-N 3.17Å; G155-D157 PolarHBondContact O-N 3.47Å; G155-S158 VanDerWaalsContact C-OG 3.28Å; G155-S158 VanDerWaalsContact CA-OG 3.32Å; G155-S158 WeakPolarHBondContact CA-OG 3.37Å; G155-S158 PolarHBondContact O-N 2.9Å; G155-S158 PolarHBondContact O-OG 3.38Å
156	V	80.2	Confident	80.6	Confident	42 Å²	42	61 Å²	61	26%	0.255	33%	0.333	S	S	.	.	S	Bend	trans	-61.1	-42.4	175.8	73.3	0	0	0	0	112.1	V153 S158 H159 I171 V175	V153-V156 HydrophobicContact CB-CB 4.35Å; V153-V156 HydrophobicContact CG1-CB 4.35Å; V156-S158 VanDerWaalsContact C-N 3.31Å; V156-S158 PolarHBondContact O-N 3.22Å; V156-H159 PolarHBondContact O-CD2 2.88Å; V156-H159 PolarHBondContact O-CE1 3.13Å; V156-H159 PolarHBondContact O-ND1 3.01Å; V156-H159 PolarHBondContact O-NE2 2.86Å; V156-I171 HydrophobicContact CG2-CG2 4.09Å; V156-V175 HydrophobicContact CG2-CG2 3.92Å
157	D	70.2	Confident	79.9	Confident	141 Å²	141	61.4 Å²	61.4	75%	0.754	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-12.2	-177.2	-69.3	-25.6	0	0	0	114.3	G155 H159	G155-D157 PolarHBondContact O-N 3.47Å; D157-H159 PolarHBondContact O-N 3.08Å
158	S	59.5	Low	79.2	Confident	35 Å²	35	63.8 Å²	63.8	25%	0.245	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	21.1	172.8	37.2	0	0	0	0	113.5	G155 V156 S160 Y162	G155-S158 VanDerWaalsContact C-OG 3.28Å; G155-S158 VanDerWaalsContact CA-OG 3.32Å; G155-S158 WeakPolarHBondContact CA-OG 3.37Å; G155-S158 PolarHBondContact O-N 2.9Å; G155-S158 PolarHBondContact O-OG 3.38Å; V156-S158 VanDerWaalsContact C-N 3.31Å; V156-S158 PolarHBondContact O-N 3.22Å; S158-S160 PolarHBondContact O-N 3.07Å; S158-Y162 WeakPolarHBondContact CB-OH 3.41Å; S158-Y162 WeakPolarHBondContact O-CD2 3.32Å; S158-Y162 WeakPolarHBondContact O-CE2 3.46Å; S158-Y162 PolarHBondContact OG-OH 2.64Å
159	H	51.7	Low	78.7	Confident	121 Å²	121	66 Å²	66	56%	0.56	37%	0.367	S	S	*	.			trans	-50.2	-7.2	178.3	-85.2	-41.2	0	0	0	116.3	V156 D157 D161	V156-H159 PolarHBondContact O-CD2 2.88Å; V156-H159 PolarHBondContact O-CE1 3.13Å; V156-H159 PolarHBondContact O-ND1 3.01Å; V156-H159 PolarHBondContact O-NE2 2.86Å; D157-H159 PolarHBondContact O-N 3.08Å; H159-D161 PolarHBondContact O-N 3.5Å
160	S	51.9	Low	78.3	Confident	90 Å²	90	72.1 Å²	72.1	63%	0.629	39%	0.39	S	S	*	.	S	Bend	trans	-66.1	102.5	167.6	58.6	0	0	0	0	110.1	S158 Y162	S158-S160 PolarHBondContact O-N 3.07Å; S160-Y162 PolarHBondContact O-N 3.27Å
161	D	54.1	Low	78	Confident	149 Å²	149	69.9 Å²	69.9	80%	0.797	38%	0.38	S	S	*	.			trans	70.5	29.9	153.2	-51	-33.5	0	0	0	118.3	H159 C163	H159-D161 PolarHBondContact O-N 3.5Å; D161-C163 VanDerWaalsContact C-N 3.34Å; D161-C163 PolarHBondContact O-N 3.43Å
162	Y	56.5	Low	77.7	Confident	109 Å²	109	75.6 Å²	75.6	43%	0.427	40%	0.404	S	S	.	.			trans	-71.3	94.7	161.4	-63.9	-63.1	0	0	0	109.6	L129 S158 S160 D164	L129-Y162 HydrophobicContact CD1-CE2 3.9Å; L129-Y162 HydrophobicContact CD2-CD1 3.84Å; L129-Y162 HydrophobicContact CD2-CD2 3.84Å; L129-Y162 HydrophobicContact CD2-CE1 3.67Å; L129-Y162 HydrophobicContact CD2-CE2 3.63Å; L129-Y162 HydrophobicContact CD2-CG 3.94Å; L129-Y162 HydrophobicContact CG-CE2 4.43Å; S158-Y162 WeakPolarHBondContact CB-OH 3.41Å; S158-Y162 WeakPolarHBondContact O-CD2 3.32Å; S158-Y162 WeakPolarHBondContact O-CE2 3.46Å; S158-Y162 PolarHBondContact OG-OH 2.64Å; S160-Y162 PolarHBondContact O-N 3.27Å; Y162-D164 PolarHBondContact O-N 3.06Å; Y162-D164 VanDerWaalsContact O-N 3.13Å
163	C	61	Low	77.6	Confident	132 Å²	132	77.7 Å²	77.7	89%	0.892	42%	0.418	S	S	*	.			trans	-68.6	5.8	166.7	41.8	0	0	0	0	113.3	D161 L165	D161-C163 VanDerWaalsContact C-N 3.34Å; D161-C163 PolarHBondContact O-N 3.43Å; C163-L165 PolarHBondContact O-N 3.49Å
164	D	74.6	Confident	77.5	Confident	87 Å²	87	76.7 Å²	76.7	47%	0.465	41%	0.412	S	S	.	.			trans	-88.8	101.7	175.9	-171.3	-8.8	0	0	0	110.9	Y162 E166 A167 D168	Y162-D164 PolarHBondContact O-N 3.06Å; Y162-D164 VanDerWaalsContact O-N 3.13Å; D164-E166 PolarHBondContact O-N 3.18Å; D164-E166 WeakPolarHBondContact OD1-CB 3.29Å; D164-E166 PolarHBondContact OD1-N 3Å; D164-A167 HydrophobicContact CB-CB 4.07Å; D164-A167 PolarHBondContact O-N 3.2Å; D164-D168 PolarHBondContact O-N 3.11Å
165	L	78.8	Confident	77.5	Confident	146 Å²	146	79.4 Å²	79.4	76%	0.764	43%	0.428	S	S	*	.	H	α-helix	trans	-58.5	-28.3	177.5	-68.1	171.1	0	0	0	112.9	C163 A169	C163-L165 PolarHBondContact O-N 3.49Å; L165-A169 WeakPolarHBondContact O-CB 3.16Å; L165-A169 PolarHBondContact O-N 2.93Å; L165-A169 VanDerWaalsContact O-N 3.15Å
166	E	81.7	Confident	77.9	Confident	114 Å²	114	83.5 Å²	83.5	53%	0.533	44%	0.441	S	S	.	.	H	α-helix	trans	-73.7	-43.1	179.8	-168.5	-178.6	158.2	0	0	111.1	D164 D168 A169 R170	D164-E166 PolarHBondContact O-N 3.18Å; D164-E166 WeakPolarHBondContact OD1-CB 3.29Å; D164-E166 PolarHBondContact OD1-N 3Å; E166-D168 VanDerWaalsContact C-N 3.35Å; E166-D168 PolarHBondContact O-N 3.29Å; E166-A169 PolarHBondContact O-N 3.42Å; E166-R170 WeakPolarHBondContact O-CG 3.25Å; E166-R170 PolarHBondContact O-N 3.21Å; E166-R170 IonicContact OE1-CZ 3.15Å; E166-R170 IonicContact OE1-NE 2.66Å; E166-R170 PolarHBondContact OE1-NE 2.69Å; E166-R170 IonicContact OE1-NH2 2.81Å; E166-R170 PolarHBondContact OE1-NH2 3.47Å
167	A	82.1	Confident	78.7	Confident	8 Å²	8	81.5 Å²	81.5	7%	0.066	43%	0.428	C	S	.	.	H	α-helix	trans	-61.3	-43.6	175.8	0	0	0	0	0	111.6	L129 D164 A169 R170 I171	L129-A167 HydrophobicContact CD2-CB 3.8Å; L129-A167 HydrophobicContact CG-CB 4.46Å; D164-A167 HydrophobicContact CB-CB 4.07Å; D164-A167 PolarHBondContact O-N 3.2Å; A167-A169 PolarHBondContact O-N 3.46Å; A167-R170 PolarHBondContact O-N 3.33Å; A167-I171 WeakPolarHBondContact O-CG1 3.44Å; A167-I171 PolarHBondContact O-N 3.25Å
168	D	85	Confident	80.1	Confident	54 Å²	54	75.1 Å²	75.1	29%	0.289	39%	0.394	S	S	.	.	H	α-helix	trans	-60.6	-44.1	176.5	175.6	65.1	0	0	0	112.1	D164 E166 R170 I171 K172	D164-D168 PolarHBondContact O-N 3.11Å; E166-D168 VanDerWaalsContact C-N 3.35Å; E166-D168 PolarHBondContact O-N 3.29Å; D168-R170 PolarHBondContact O-N 3.13Å; D168-I171 PolarHBondContact O-N 3.23Å; D168-K172 WeakPolarHBondContact O-CB 3.49Å; D168-K172 WeakPolarHBondContact O-CG 3.48Å; D168-K172 PolarHBondContact O-N 3.13Å; D168-K172 WeakPolarHBondContact OD1-CE 3.36Å; D168-K172 IonicContact OD1-NZ 3.19Å; D168-K172 PolarHBondContact OD1-NZ 2.99Å; D168-K172 VanDerWaalsContact OD2-CE 3.26Å; D168-K172 WeakPolarHBondContact OD2-CE 3.25Å; D168-K172 IonicContact OD2-NZ 2.7Å; D168-K172 PolarHBondContact OD2-NZ 2.82Å
169	A	87.9	Confident	81.9	Confident	50 Å²	50	76.3 Å²	76.3	41%	0.413	40%	0.401	S	S	.	.	H	α-helix	trans	-63.8	-39.7	176.9	0	0	0	0	0	112.8	L165 E166 A167 T173	L165-A169 WeakPolarHBondContact O-CB 3.16Å; L165-A169 PolarHBondContact O-N 2.93Å; L165-A169 VanDerWaalsContact O-N 3.15Å; E166-A169 PolarHBondContact O-N 3.42Å; A167-A169 PolarHBondContact O-N 3.46Å; A169-T173 WeakPolarHBondContact O-CB 3.44Å; A169-T173 PolarHBondContact O-N 2.88Å; A169-T173 PolarHBondContact O-OG1 3Å
170	R	89.9	Confident	84.2	Confident	130 Å²	130	70.7 Å²	70.7	49%	0.491	38%	0.375	S	S	.	.	H	α-helix	trans	-63.9	-48.6	175.5	-72.5	174.8	-177.1	-121.1	4.7	111.4	E166 A167 D168 K172 T173 A174	E166-R170 WeakPolarHBondContact O-CG 3.25Å; E166-R170 PolarHBondContact O-N 3.21Å; E166-R170 IonicContact OE1-CZ 3.15Å; E166-R170 IonicContact OE1-NE 2.66Å; E166-R170 PolarHBondContact OE1-NE 2.69Å; E166-R170 IonicContact OE1-NH2 2.81Å; E166-R170 PolarHBondContact OE1-NH2 3.47Å; A167-R170 PolarHBondContact O-N 3.33Å; D168-R170 PolarHBondContact O-N 3.13Å; R170-K172 PolarHBondContact O-N 3.27Å; R170-T173 PolarHBondContact O-N 2.98Å; R170-A174 WeakPolarHBondContact O-CB 3.44Å; R170-A174 PolarHBondContact O-N 3Å
171	I	93.1	Very high	86.4	Confident	6 Å²	6	66.4 Å²	66.4	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-58.7	-47.2	177.3	-68.8	166.7	0	0	0	110.7	L129 V153 V156 A167 D168 T173 A174 V175	L129-I171 HydrophobicContact CD1-CD1 3.91Å; L129-I171 HydrophobicContact CG-CD1 4.05Å; V153-I171 HydrophobicContact CG1-CG2 4.37Å; V156-I171 HydrophobicContact CG2-CG2 4.09Å; A167-I171 WeakPolarHBondContact O-CG1 3.44Å; A167-I171 PolarHBondContact O-N 3.25Å; D168-I171 PolarHBondContact O-N 3.23Å; I171-T173 VanDerWaalsContact C-N 3.31Å; I171-T173 PolarHBondContact O-N 3.04Å; I171-A174 PolarHBondContact O-N 2.97Å; I171-V175 HydrophobicContact CG2-CG2 4.13Å; I171-V175 WeakPolarHBondContact O-CB 3.5Å; I171-V175 VanDerWaalsContact O-CG2 3.31Å; I171-V175 WeakPolarHBondContact O-CG2 3.26Å; I171-V175 PolarHBondContact O-N 2.84Å
172	K	93.1	Very high	88.5	Confident	124 Å²	124	62.7 Å²	62.7	54%	0.539	32%	0.323	S	S	.	.	H	α-helix	trans	-58.7	-42.6	178	-76.3	170.7	178.1	166.3	0	112.4	D168 R170 Y176	D168-K172 WeakPolarHBondContact O-CB 3.49Å; D168-K172 WeakPolarHBondContact O-CG 3.48Å; D168-K172 PolarHBondContact O-N 3.13Å; D168-K172 WeakPolarHBondContact OD1-CE 3.36Å; D168-K172 IonicContact OD1-NZ 3.19Å; D168-K172 PolarHBondContact OD1-NZ 2.99Å; D168-K172 VanDerWaalsContact OD2-CE 3.26Å; D168-K172 WeakPolarHBondContact OD2-CE 3.25Å; D168-K172 IonicContact OD2-NZ 2.7Å; D168-K172 PolarHBondContact OD2-NZ 2.82Å; R170-K172 PolarHBondContact O-N 3.27Å; K172-Y176 VanDerWaalsContact O-CB 3.3Å; K172-Y176 WeakPolarHBondContact O-CB 3.3Å; K172-Y176 PolarHBondContact O-N 3.01Å
173	T	94.4	Very high	90.5	Very high	59 Å²	59	61.9 Å²	61.9	36%	0.362	32%	0.321	S	S	.	.	H	α-helix	trans	-64.8	-43.5	177	-58.2	0	0	0	0	111.4	A169 R170 I171 Y176 L177 L264 L298	A169-T173 WeakPolarHBondContact O-CB 3.44Å; A169-T173 PolarHBondContact O-N 2.88Å; A169-T173 PolarHBondContact O-OG1 3Å; R170-T173 PolarHBondContact O-N 2.98Å; I171-T173 VanDerWaalsContact C-N 3.31Å; I171-T173 PolarHBondContact O-N 3.04Å; T173-Y176 PolarHBondContact O-N 3.2Å; T173-L177 PolarHBondContact O-N 2.55Å; T173-L264 HydrophobicContact CG2-CD1 3.55Å; T173-L298 HydrophobicContact CG2-CD1 4.14Å
174	A	96.3	Very high	92.3	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-49.4	177.5	0	0	0	0	0	112.5	I132 V153 R170 I171 Y176 L177 C178	I132-A174 HydrophobicContact CD1-CB 3.98Å; I132-A174 HydrophobicContact CG1-CB 3.49Å; I132-A174 VanDerWaalsContact CG1-CB 3.49Å; V153-A174 HydrophobicContact CB-CB 4.45Å; V153-A174 HydrophobicContact CG1-CB 3.71Å; V153-A174 HydrophobicContact CG2-CB 3.92Å; R170-A174 WeakPolarHBondContact O-CB 3.44Å; R170-A174 PolarHBondContact O-N 3Å; I171-A174 PolarHBondContact O-N 2.97Å; A174-Y176 VanDerWaalsContact C-N 3.29Å; A174-Y176 PolarHBondContact O-N 3.21Å; A174-L177 PolarHBondContact O-N 3.4Å; A174-C178 PolarHBondContact O-N 3.39Å; A174-C178 PolarHBondContact O-SG 3.4Å
175	V	96.7	Very high	93.5	Very high	56 Å²	56	52.4 Å²	52.4	34%	0.339	26%	0.26	S	S	.	.	H	α-helix	trans	-59	-42	176.5	170.6	0	0	0	0	111	V153 V156 I171 T179	V153-V175 HydrophobicContact CB-CG2 4.41Å; V153-V175 HydrophobicContact CG1-CG2 4.26Å; V153-V175 HydrophobicContact CG2-CG2 4.05Å; V156-V175 HydrophobicContact CG2-CG2 3.92Å; I171-V175 HydrophobicContact CG2-CG2 4.13Å; I171-V175 WeakPolarHBondContact O-CB 3.5Å; I171-V175 VanDerWaalsContact O-CG2 3.31Å; I171-V175 WeakPolarHBondContact O-CG2 3.26Å; I171-V175 PolarHBondContact O-N 2.84Å; V175-T179 WeakPolarHBondContact O-CB 3.5Å; V175-T179 PolarHBondContact O-N 2.88Å; V175-T179 PolarHBondContact O-OG1 2.91Å
176	Y	97.1	Very high	94.4	Very high	100 Å²	100	49 Å²	49	39%	0.392	24%	0.243	S	C	.	.	H	α-helix	trans	-59.7	-52.5	175.8	173	-102.8	0	0	0	111.7	K172 T173 A174 C178 T179 V180 F212 L264	K172-Y176 VanDerWaalsContact O-CB 3.3Å; K172-Y176 WeakPolarHBondContact O-CB 3.3Å; K172-Y176 PolarHBondContact O-N 3.01Å; T173-Y176 PolarHBondContact O-N 3.2Å; A174-Y176 VanDerWaalsContact C-N 3.29Å; A174-Y176 PolarHBondContact O-N 3.21Å; Y176-C178 PolarHBondContact O-N 2.8Å; Y176-T179 WeakPolarHBondContact O-CB 3.48Å; Y176-T179 PolarHBondContact O-N 3.15Å; Y176-V180 HydrophobicContact CD2-CG2 4.37Å; Y176-V180 HydrophobicContact CE1-CG2 4.14Å; Y176-V180 HydrophobicContact CE2-CG2 3.95Å; Y176-V180 WeakPolarHBondContact O-CG2 3.24Å; Y176-V180 PolarHBondContact O-N 3.36Å; Y176-F212 PolarHBondContact OH-O 3.18Å; Y176-L264 HydrophobicContact CD1-CD2 4.35Å; Y176-L264 HydrophobicContact CE1-CD2 4.33Å
177	L	97.8	Very high	95.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-45.5	-179	-177.9	60.2	0	0	0	111.8	I132 T173 A174 T179 V180 A181 I262 L264 L298 A300	I132-L177 HydrophobicContact CD1-CB 4.25Å; I132-L177 HydrophobicContact CD1-CD2 3.69Å; I132-L177 HydrophobicContact CD1-CG 4.39Å; T173-L177 PolarHBondContact O-N 2.55Å; A174-L177 PolarHBondContact O-N 3.4Å; L177-T179 VanDerWaalsContact C-N 3.3Å; L177-T179 PolarHBondContact O-N 2.86Å; L177-V180 PolarHBondContact O-N 2.89Å; L177-V180 VanDerWaalsContact O-N 3.16Å; L177-A181 WeakPolarHBondContact O-CB 3.48Å; L177-A181 PolarHBondContact O-N 3Å; L177-I262 HydrophobicContact CD1-CG2 3.99Å; L177-L264 HydrophobicContact CB-CD2 4.41Å; L177-L264 HydrophobicContact CB-CG 4.49Å; L177-L264 HydrophobicContact CD1-CD2 3.99Å; L177-L264 HydrophobicContact CD1-CG 4.04Å; L177-L264 HydrophobicContact CD2-CD1 4.49Å; L177-L264 HydrophobicContact CD2-CG 4.01Å; L177-L264 HydrophobicContact CG-CG 4.4Å; L177-L298 HydrophobicContact CD2-CB 3.8Å; L177-L298 WeakPolarHBondContact CD2-O 3.44Å; L177-A300 HydrophobicContact CD2-CB 4.18Å; L177-A300 HydrophobicContact CG-CB 3.87Å
178	C	98.4	Very high	96	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.041	22%	0.223	C	C	.	.	H	α-helix	trans	-59	-41.5	175.8	-71.8	0	0	0	0	111.9	V153 A174 Y176 V180 A181 Q182 F302	V153-C178 HydrophobicContact CG2-CB 4.48Å; A174-C178 PolarHBondContact O-N 3.39Å; A174-C178 PolarHBondContact O-SG 3.4Å; Y176-C178 PolarHBondContact O-N 2.8Å; C178-V180 VanDerWaalsContact C-N 3.35Å; C178-V180 PolarHBondContact O-N 3.03Å; C178-A181 PolarHBondContact O-N 3.18Å; C178-Q182 WeakPolarHBondContact O-CG 3.3Å; C178-Q182 PolarHBondContact O-N 3.3Å; C178-F302 HydrophobicContact CB-CE2 3.99Å; C178-F302 HydrophobicContact CB-CZ 4.3Å; C178-F302 WeakPolarHBondContact O-CE2 3.49Å
179	T	98.5	Very high	96.7	Very high	61 Å²	61	42.4 Å²	42.4	37%	0.374	21%	0.213	S	C	.	.	H	α-helix	trans	-62	-42.3	176.2	-61	0	0	0	0	111.7	V175 Y176 L177 K183	V175-T179 WeakPolarHBondContact O-CB 3.5Å; V175-T179 PolarHBondContact O-N 2.88Å; V175-T179 PolarHBondContact O-OG1 2.91Å; Y176-T179 WeakPolarHBondContact O-CB 3.48Å; Y176-T179 PolarHBondContact O-N 3.15Å; L177-T179 VanDerWaalsContact C-N 3.3Å; L177-T179 PolarHBondContact O-N 2.86Å; T179-K183 HydrophobicContact CG2-CD 4.42Å; T179-K183 VanDerWaalsContact O-CG 3.32Å; T179-K183 WeakPolarHBondContact O-CG 3.31Å; T179-K183 PolarHBondContact O-N 3.04Å; T179-K183 VanDerWaalsContact O-N 3.13Å
180	V	98.4	Very high	97.2	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-67.9	-40.9	177.4	177.8	0	0	0	0	111.1	Y176 L177 C178 K183 C184 F212 C214 I262	Y176-V180 HydrophobicContact CD2-CG2 4.37Å; Y176-V180 HydrophobicContact CE1-CG2 4.14Å; Y176-V180 HydrophobicContact CE2-CG2 3.95Å; Y176-V180 WeakPolarHBondContact O-CG2 3.24Å; Y176-V180 PolarHBondContact O-N 3.36Å; L177-V180 PolarHBondContact O-N 2.89Å; L177-V180 VanDerWaalsContact O-N 3.16Å; C178-V180 VanDerWaalsContact C-N 3.35Å; C178-V180 PolarHBondContact O-N 3.03Å; V180-K183 PolarHBondContact O-N 2.96Å; V180-C184 WeakPolarHBondContact O-CB 3.16Å; V180-C184 PolarHBondContact O-N 3.28Å; V180-C184 PolarHBondContact O-SG 3.32Å; V180-F212 HydrophobicContact CB-CB 4.33Å; V180-F212 HydrophobicContact CG1-CB 3.64Å; V180-F212 HydrophobicContact CG1-CD2 4.17Å; V180-F212 HydrophobicContact CG1-CG 4.12Å; V180-F212 HydrophobicContact CG2-CB 3.63Å; V180-F212 HydrophobicContact CG2-CD1 4.16Å; V180-F212 HydrophobicContact CG2-CD2 4.44Å; V180-F212 HydrophobicContact CG2-CG 3.83Å; V180-C214 HydrophobicContact CG1-CB 4.01Å; V180-I262 HydrophobicContact CG1-CG2 4.23Å
181	A	98.7	Very high	97.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-45	176.7	0	0	0	0	0	112.3	L177 C178 K183 C184 R185 I262 A300 F302	L177-A181 WeakPolarHBondContact O-CB 3.48Å; L177-A181 PolarHBondContact O-N 3Å; C178-A181 PolarHBondContact O-N 3.18Å; A181-K183 PolarHBondContact O-N 3.24Å; A181-C184 WeakPolarHBondContact O-CB 3.37Å; A181-C184 PolarHBondContact O-N 2.7Å; A181-R185 PolarHBondContact O-N 2.99Å; A181-I262 HydrophobicContact CB-CB 4.09Å; A181-I262 HydrophobicContact CB-CG1 4.08Å; A181-A300 HydrophobicContact CB-CB 3.8Å; A181-F302 HydrophobicContact CB-CD2 3.74Å; A181-F302 HydrophobicContact CB-CE2 4.26Å
182	Q	98.6	Very high	97.9	Very high	72 Å²	72	41 Å²	41	34%	0.336	22%	0.218	S	C	.	.	H	α-helix	trans	-57.6	-48.3	172.3	-72.9	178	45.8	0	0	111.9	C178 C184 R185 D186 F302	C178-Q182 WeakPolarHBondContact O-CG 3.3Å; C178-Q182 PolarHBondContact O-N 3.3Å; Q182-C184 VanDerWaalsContact C-N 3.27Å; Q182-C184 PolarHBondContact O-N 2.91Å; Q182-R185 PolarHBondContact O-N 3.02Å; Q182-D186 WeakPolarHBondContact O-CB 3.27Å; Q182-D186 VanDerWaalsContact O-CG 3.23Å; Q182-D186 PolarHBondContact O-N 3.06Å; Q182-F302 HydrophobicContact CB-CD2 4.47Å; Q182-F302 HydrophobicContact CB-CG 4.44Å; Q182-F302 HydrophobicContact CG-CB 4.32Å; Q182-F302 HydrophobicContact CG-CD1 3.41Å; Q182-F302 VanDerWaalsContact CG-CD1 3.41Å; Q182-F302 HydrophobicContact CG-CD2 3.54Å; Q182-F302 HydrophobicContact CG-CE1 3.4Å; Q182-F302 VanDerWaalsContact CG-CE1 3.4Å; Q182-F302 HydrophobicContact CG-CE2 3.56Å; Q182-F302 HydrophobicContact CG-CG 3.47Å; Q182-F302 VanDerWaalsContact CG-CG 3.47Å; Q182-F302 HydrophobicContact CG-CZ 3.5Å
183	K	98.8	Very high	98.2	Very high	92 Å²	92	35.5 Å²	35.5	40%	0.4	20%	0.196	S	C	.	.	H	α-helix	trans	-60.9	-36	177.9	-72.4	176.4	-174.8	-59.4	0	112.6	T179 V180 A181 A187 F212	T179-K183 HydrophobicContact CG2-CD 4.42Å; T179-K183 VanDerWaalsContact O-CG 3.32Å; T179-K183 WeakPolarHBondContact O-CG 3.31Å; T179-K183 PolarHBondContact O-N 3.04Å; T179-K183 VanDerWaalsContact O-N 3.13Å; V180-K183 PolarHBondContact O-N 2.96Å; A181-K183 PolarHBondContact O-N 3.24Å; K183-A187 VanDerWaalsContact O-CB 3.26Å; K183-A187 WeakPolarHBondContact O-CB 3.44Å; K183-A187 PolarHBondContact O-N 2.76Å; K183-F212 HydrophobicContact CD-CE1 4.4Å; K183-F212 HydrophobicContact CD-CE2 3.72Å; K183-F212 HydrophobicContact CD-CZ 3.64Å
184	C	98.8	Very high	98.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.5	-48.8	176.5	-72.2	0	0	0	0	111	V180 A181 Q182 D186 A187 G188 V205 P260 I262	V180-C184 WeakPolarHBondContact O-CB 3.16Å; V180-C184 PolarHBondContact O-N 3.28Å; V180-C184 PolarHBondContact O-SG 3.32Å; A181-C184 WeakPolarHBondContact O-CB 3.37Å; A181-C184 PolarHBondContact O-N 2.7Å; Q182-C184 VanDerWaalsContact C-N 3.27Å; Q182-C184 PolarHBondContact O-N 2.91Å; C184-D186 PolarHBondContact O-N 3.08Å; C184-A187 WeakPolarHBondContact O-CB 3.3Å; C184-A187 PolarHBondContact O-N 2.83Å; C184-G188 PolarHBondContact O-N 2.65Å; C184-V205 HydrophobicContact CB-CG1 4.16Å; C184-V205 WeakPolarHBondContact O-CG2 3.03Å; C184-P260 HydrophobicContact CB-CG 4.21Å; C184-I262 HydrophobicContact CB-CD1 3.77Å; C184-I262 HydrophobicContact CB-CG1 3.81Å
185	R	98.7	Very high	98.4	Very high	19 Å²	19	39.3 Å²	39.3	7%	0.072	22%	0.217	C	C	.	.	H	α-helix	trans	-56	-49.3	174.6	-174.9	-75.8	-52.2	-88.4	8.1	111.3	A181 Q182 A187 G188 I189 V258 P260 F302 E303 H304	A181-R185 PolarHBondContact O-N 2.99Å; Q182-R185 PolarHBondContact O-N 3.02Å; R185-A187 VanDerWaalsContact C-N 3.34Å; R185-A187 PolarHBondContact O-N 2.99Å; R185-G188 PolarHBondContact O-N 3.19Å; R185-I189 PolarHBondContact O-N 3.05Å; R185-V258 WeakPolarHBondContact CG-O 3.33Å; R185-P260 HydrophobicContact CB-CG 3.88Å; R185-F302 HydrophobicContact CB-CB 4.18Å; R185-F302 HydrophobicContact CG-CB 4.31Å; R185-F302 VanDerWaalsContact CG-O 3.25Å; R185-F302 WeakPolarHBondContact CG-O 3.29Å; R185-E303 PolarHBondContact NH1-O 2.56Å; R185-H304 VanDerWaalsContact CZ-NE2 3.34Å; R185-H304 PolarHBondContact NH1-CD2 3.04Å; R185-H304 PolarHBondContact NH1-NE2 3.48Å; R185-H304 PolarHBondContact NH2-NE2 3.09Å
186	D	98.9	Very high	98.5	Very high	75 Å²	75	37.9 Å²	37.9	40%	0.401	21%	0.211	S	C	.	.	H	α-helix	trans	-63	-38.7	178.9	-66	-13	0	0	0	112.2	Q182 C184 G188 I189 S190	Q182-D186 WeakPolarHBondContact O-CB 3.27Å; Q182-D186 VanDerWaalsContact O-CG 3.23Å; Q182-D186 PolarHBondContact O-N 3.06Å; C184-D186 PolarHBondContact O-N 3.08Å; D186-G188 VanDerWaalsContact C-N 3.34Å; D186-G188 PolarHBondContact O-N 2.83Å; D186-I189 PolarHBondContact O-N 3.11Å; D186-S190 WeakPolarHBondContact O-CB 3.35Å; D186-S190 PolarHBondContact O-N 2.73Å
187	A	98.9	Very high	98.5	Very high	21 Å²	21	35.1 Å²	35.1	17%	0.174	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-42.4	174.7	0	0	0	0	0	111.6	K183 C184 R185 S190 A204 C208	K183-A187 VanDerWaalsContact O-CB 3.26Å; K183-A187 WeakPolarHBondContact O-CB 3.44Å; K183-A187 PolarHBondContact O-N 2.76Å; C184-A187 WeakPolarHBondContact O-CB 3.3Å; C184-A187 PolarHBondContact O-N 2.83Å; R185-A187 VanDerWaalsContact C-N 3.34Å; R185-A187 PolarHBondContact O-N 2.99Å; A187-S190 PolarHBondContact O-N 3.49Å; A187-S190 PolarHBondContact O-OG 2.88Å; A187-A204 HydrophobicContact CB-CB 4.47Å; A187-A204 WeakPolarHBondContact O-CB 3.12Å; A187-C208 HydrophobicContact CB-CB 3.96Å
188	G	98.8	Very high	98.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-44.7	173.9	0	0	0	0	0	112.7	C184 R185 D186 S190 V191 C192	C184-G188 PolarHBondContact O-N 2.65Å; R185-G188 PolarHBondContact O-N 3.19Å; D186-G188 VanDerWaalsContact C-N 3.34Å; D186-G188 PolarHBondContact O-N 2.83Å; G188-S190 VanDerWaalsContact C-N 3.33Å; G188-S190 PolarHBondContact O-N 2.85Å; G188-V191 WeakPolarHBondContact O-CG2 3.35Å; G188-C192 PolarHBondContact O-SG 2.66Å
189	I	98.9	Very high	98.6	Very high	16 Å²	16	35.7 Å²	35.7	8%	0.082	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-36.3	176.7	-65.9	176.8	0	0	0	111.5	R185 D186 V191 C192 V258 H304 I306 I315	R185-I189 PolarHBondContact O-N 3.05Å; D186-I189 PolarHBondContact O-N 3.11Å; I189-V191 PolarHBondContact O-N 2.92Å; I189-C192 VanDerWaalsContact O-CB 3.27Å; I189-C192 WeakPolarHBondContact O-CB 3.42Å; I189-C192 PolarHBondContact O-N 3.13Å; I189-V258 HydrophobicContact CG1-CB 3.93Å; I189-V258 HydrophobicContact CG1-CG1 4.05Å; I189-V258 HydrophobicContact CG1-CG2 4.12Å; I189-H304 HydrophobicContact CD1-CB 3.87Å; I189-I306 HydrophobicContact CD1-CG2 3.9Å; I189-I306 HydrophobicContact CG1-CG2 4.14Å; I189-I306 HydrophobicContact CG2-CG2 4.43Å; I189-I315 HydrophobicContact CD1-CD1 4.25Å; I189-I315 HydrophobicContact CD1-CG1 4.32Å; I189-I315 HydrophobicContact CG2-CG1 4.45Å
190	S	98.6	Very high	98.5	Very high	94 Å²	94	34.2 Å²	34.2	66%	0.657	20%	0.197	S	C	*	.	H	α-helix	trans	-60.5	-22.6	-175.5	77.4	0	0	0	0	114.7	D186 A187 G188	D186-S190 WeakPolarHBondContact O-CB 3.35Å; D186-S190 PolarHBondContact O-N 2.73Å; A187-S190 PolarHBondContact O-N 3.49Å; A187-S190 PolarHBondContact O-OG 2.88Å; G188-S190 VanDerWaalsContact C-N 3.33Å; G188-S190 PolarHBondContact O-N 2.85Å
191	V	98.6	Very high	98.6	Very high	53 Å²	53	34.1 Å²	34.1	32%	0.321	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	0.7	177.9	-60.7	0	0	0	0	113.2	G188 I189 A196 I201 A204	G188-V191 WeakPolarHBondContact O-CG2 3.35Å; I189-V191 PolarHBondContact O-N 2.92Å; V191-A196 WeakPolarHBondContact O-CB 3.03Å; V191-I201 HydrophobicContact CG2-CG1 4.27Å; V191-A204 HydrophobicContact CG1-CB 3.92Å; V191-A204 HydrophobicContact CG2-CB 3.98Å
192	C	98.8	Very high	98.5	Very high	9 Å²	9	34.1 Å²	34.1	6%	0.061	20%	0.196	C	C	.	.			trans	-82.4	127.4	-179.8	-65.6	0	0	0	0	111.6	G188 I189 M250 I306 I308 C313	G188-C192 PolarHBondContact O-SG 2.66Å; I189-C192 VanDerWaalsContact O-CB 3.27Å; I189-C192 WeakPolarHBondContact O-CB 3.42Å; I189-C192 PolarHBondContact O-N 3.13Å; C192-M250 HydrophobicContact CB-CE 4.34Å; C192-M250 HydrophobicContact CB-SD 3.97Å; C192-I306 HydrophobicContact CB-CD1 3.63Å; C192-I306 VanDerWaalsContact SG-CD1 3.58Å; C192-I308 HydrophobicContact CB-CD1 4.1Å; C192-C313 HydrophobicContact CB-CB 4.12Å; C192-C313 PolarHBondContact O-SG 3.34Å
193	G	98.5	Very high	98.5	Very high	9 Å²	9	35.7 Å²	35.7	9%	0.093	20%	0.204	C	C	.	.	S	Bend	trans	-178.4	172.6	178.6	0	0	0	0	0	112.1	N195 A196 M250	G193-N195 PolarHBondContact O-N 2.98Å; G193-A196 VanDerWaalsContact O-CB 3.31Å; G193-A196 WeakPolarHBondContact O-CB 3.04Å; G193-A196 PolarHBondContact O-N 2.78Å; G193-A196 VanDerWaalsContact O-N 3.11Å; G193-M250 WeakPolarHBondContact O-CB 3.46Å
194	P	98.3	Very high	98.5	Very high	43 Å²	43	32.1 Å²	32.1	28%	0.279	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	132.9	-178	26	-34.4	0	0	0	110.5	A196 P252 I308 T309	P194-A196 PolarHBondContact O-N 3.22Å; P194-P252 HydrophobicContact CB-CG 4.3Å; P194-I308 HydrophobicContact CB-CG2 4.44Å; P194-T309 WeakPolarHBondContact CD-O 3.36Å; P194-T309 WeakPolarHBondContact CG-O 3.45Å
195	N	98	Very high	98.5	Very high	97 Å²	97	32.1 Å²	32.1	52%	0.519	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	0	-177.2	-55.2	-59.5	0	0	0	116.6	G193 R249 M250	G193-N195 PolarHBondContact O-N 2.98Å; N195-R249 PolarHBondContact O-NH1 2.92Å; N195-M250 WeakPolarHBondContact CA-O 3.44Å; N195-M250 PolarHBondContact N-O 2.89Å
196	A	98.4	Very high	98.4	Very high	26 Å²	26	31.4 Å²	31.4	22%	0.215	19%	0.189	C	C	.	.			trans	-64.4	152.5	170.1	0	0	0	0	0	110.5	V191 G193 P194 R249 M250	V191-A196 WeakPolarHBondContact O-CB 3.03Å; G193-A196 VanDerWaalsContact O-CB 3.31Å; G193-A196 WeakPolarHBondContact O-CB 3.04Å; G193-A196 PolarHBondContact O-N 2.78Å; G193-A196 VanDerWaalsContact O-N 3.11Å; P194-A196 PolarHBondContact O-N 3.22Å; A196-R249 CarbonylContact O-C 3.33Å; A196-R249 VanDerWaalsContact O-CA 3.3Å; A196-R249 WeakPolarHBondContact O-CA 3.37Å; A196-M250 HydrophobicContact CB-SD 4.06Å; A196-M250 PolarHBondContact O-N 3.45Å
197	L	98.2	Very high	98.4	Very high	42 Å²	42	35.4 Å²	35.4	22%	0.22	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-82.9	141.5	175.9	-70.8	170.2	0	0	0	110	T199 S200 L247 R249	L197-T199 PolarHBondContact O-N 3.11Å; L197-S200 VanDerWaalsContact O-CB 3.29Å; L197-S200 WeakPolarHBondContact O-CB 3.46Å; L197-S200 PolarHBondContact O-N 3.45Å; L197-S200 PolarHBondContact O-OG 3.23Å; L197-L247 HydrophobicContact CD2-CB 4.33Å; L197-R249 HydrophobicContact CD2-CG 3.86Å
198	Y	98.4	Very high	98.3	Very high	12 Å²	12	35.4 Å²	35.4	5%	0.047	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.9	171.3	-81.1	-79.5	0	0	0	112.2	I43 S200 I201 P233 V235 T248 M250 H254 F256	I43-Y198 HydrophobicContact CD1-CE2 3.83Å; Y198-S200 PolarHBondContact O-N 2.88Å; Y198-I201 HydrophobicContact CD1-CD1 4.33Å; Y198-I201 WeakPolarHBondContact O-CB 3.44Å; Y198-I201 PolarHBondContact O-N 3.31Å; Y198-I201 VanDerWaalsContact O-N 3.11Å; Y198-P233 HydrophobicContact CD1-CB 4.37Å; Y198-P233 HydrophobicContact CD1-CG 4.01Å; Y198-P233 HydrophobicContact CE1-CB 4.15Å; Y198-P233 HydrophobicContact CE1-CG 3.38Å; Y198-P233 HydrophobicContact CE2-CB 4.35Å; Y198-P233 HydrophobicContact CE2-CG 4.15Å; Y198-P233 VanDerWaalsContact CZ-CG 3.48Å; Y198-V235 HydrophobicContact CD1-CG2 3.99Å; Y198-V235 HydrophobicContact CE1-CG2 4.14Å; Y198-T248 HydrophobicContact CD2-CG2 4.17Å; Y198-T248 WeakPolarHBondContact CD2-O 3.47Å; Y198-T248 HydrophobicContact CE2-CG2 4.28Å; Y198-T248 PolarHBondContact N-O 3.03Å; Y198-T248 VanDerWaalsContact N-O 3.13Å; Y198-M250 HydrophobicContact CD1-CE 4Å; Y198-M250 HydrophobicContact CD1-CG 4.29Å; Y198-M250 HydrophobicContact CD2-CG 4.12Å; Y198-M250 HydrophobicContact CE1-CE 4.31Å; Y198-M250 HydrophobicContact CE1-CG 3.97Å; Y198-M250 HydrophobicContact CE2-CB 4.45Å; Y198-M250 HydrophobicContact CE2-CG 3.79Å; Y198-M250 HydrophobicContact CG-CE 4.34Å; Y198-M250 HydrophobicContact CG-CG 4.35Å; Y198-H254 AromaticContact CE2-ND1 4Å; Y198-H254 AromaticContact CZ-ND1 3.87Å; Y198-H254 PolarHBondContact OH-ND1 3.35Å; Y198-F256 HydrophobicContact CD1-CE2 4.39Å; Y198-F256 HydrophobicContact CD1-CZ 4.32Å; Y198-F256 AromaticContact CE1-CD1 3.73Å; Y198-F256 HydrophobicContact CE1-CD1 3.73Å; Y198-F256 HydrophobicContact CE1-CD2 4.05Å; Y198-F256 AromaticContact CE1-CE1 3.49Å; Y198-F256 HydrophobicContact CE1-CE1 3.49Å; Y198-F256 VanDerWaalsContact CE1-CE1 3.49Å; Y198-F256 AromaticContact CE1-CE2 3.83Å; Y198-F256 HydrophobicContact CE1-CE2 3.83Å; Y198-F256 AromaticContact CE1-CG 3.99Å; Y198-F256 HydrophobicContact CE1-CG 3.99Å; Y198-F256 AromaticContact CE1-CZ 3.54Å; Y198-F256 HydrophobicContact CE1-CZ 3.54Å; Y198-F256 AromaticContact CZ-CE1 3.81Å; Y198-F256 WeakPolarHBondContact OH-CD1 3.38Å; Y198-F256 WeakPolarHBondContact OH-CE1 3.39Å
199	T	98.1	Very high	98.3	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.037	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-20.4	177.6	56.3	0	0	0	0	113.6	L197 I201 A202 E203 I242 Q245	L197-T199 PolarHBondContact O-N 3.11Å; T199-I201 PolarHBondContact O-N 2.93Å; T199-A202 WeakPolarHBondContact O-CB 3.22Å; T199-A202 PolarHBondContact O-N 3.06Å; T199-E203 PolarHBondContact O-N 2.86Å; T199-I242 HydrophobicContact CG2-CG1 4.33Å; T199-I242 HydrophobicContact CG2-CG2 4.07Å; T199-Q245 HydrophobicContact CG2-CB 4.05Å
200	S	98.2	Very high	98.1	Very high	30 Å²	30	34.7 Å²	34.7	21%	0.21	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-28	174.6	-60.9	0	0	0	0	112.2	L197 Y198 E203 A204	L197-S200 VanDerWaalsContact O-CB 3.29Å; L197-S200 WeakPolarHBondContact O-CB 3.46Å; L197-S200 PolarHBondContact O-N 3.45Å; L197-S200 PolarHBondContact O-OG 3.23Å; Y198-S200 PolarHBondContact O-N 2.88Å; S200-E203 PolarHBondContact O-N 3.44Å; S200-A204 WeakPolarHBondContact O-CB 3.48Å; S200-A204 PolarHBondContact O-N 3.32Å
201	I	98.7	Very high	97.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-49	174.3	-63.9	169	0	0	0	109.7	V191 Y198 T199 E203 A204 V205 V235 M250 F256 V258	V191-I201 HydrophobicContact CG2-CG1 4.27Å; Y198-I201 HydrophobicContact CD1-CD1 4.33Å; Y198-I201 WeakPolarHBondContact O-CB 3.44Å; Y198-I201 PolarHBondContact O-N 3.31Å; Y198-I201 VanDerWaalsContact O-N 3.11Å; T199-I201 PolarHBondContact O-N 2.93Å; I201-E203 VanDerWaalsContact C-N 3.32Å; I201-E203 PolarHBondContact O-N 3.01Å; I201-A204 PolarHBondContact O-N 2.88Å; I201-V205 HydrophobicContact CG2-CG2 4.08Å; I201-V205 WeakPolarHBondContact O-CB 3.36Å; I201-V205 VanDerWaalsContact O-CG2 3.25Å; I201-V205 WeakPolarHBondContact O-CG2 3.16Å; I201-V205 PolarHBondContact O-N 3.29Å; I201-V235 HydrophobicContact CD1-CG1 3.55Å; I201-V235 HydrophobicContact CG2-CG1 4.27Å; I201-M250 HydrophobicContact CD1-CE 3.56Å; I201-M250 HydrophobicContact CG1-CE 3.89Å; I201-F256 HydrophobicContact CD1-CE2 3.84Å; I201-F256 HydrophobicContact CD1-CZ 4.41Å; I201-V258 HydrophobicContact CD1-CG2 4.18Å; I201-V258 HydrophobicContact CG2-CG1 4.15Å
202	A	98.4	Very high	97.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.1	-40.8	179.5	0	0	0	0	0	113.2	T199 T206 V236 H237 I242	T199-A202 WeakPolarHBondContact O-CB 3.22Å; T199-A202 PolarHBondContact O-N 3.06Å; A202-T206 VanDerWaalsContact O-CB 3.29Å; A202-T206 WeakPolarHBondContact O-CB 3.37Å; A202-T206 PolarHBondContact O-N 2.81Å; A202-T206 PolarHBondContact O-OG1 3.5Å; A202-V236 HydrophobicContact CB-CG2 4.11Å; A202-H237 WeakPolarHBondContact CA-O 3.42Å; A202-I242 HydrophobicContact CB-CD1 3.99Å; A202-I242 HydrophobicContact CB-CG1 3.93Å
203	E	97.6	Very high	97.4	Very high	105 Å²	105	36.2 Å²	36.2	49%	0.491	20%	0.2	S	C	.	.	H	α-helix	trans	-62.5	-47.4	175.2	-65.7	174.5	174.5	0	0	111.7	T199 S200 I201 K207 I239 I242	T199-E203 PolarHBondContact O-N 2.86Å; S200-E203 PolarHBondContact O-N 3.44Å; I201-E203 VanDerWaalsContact C-N 3.32Å; I201-E203 PolarHBondContact O-N 3.01Å; E203-K207 WeakPolarHBondContact O-CB 3.29Å; E203-K207 PolarHBondContact O-N 3.24Å; E203-I239 HydrophobicContact CB-CG2 4.43Å; E203-I239 HydrophobicContact CG-CG2 4.15Å; E203-I242 HydrophobicContact CG-CD1 3.77Å
204	A	98.5	Very high	97.3	Very high	18 Å²	18	35.9 Å²	35.9	15%	0.149	20%	0.196	C	C	.	.	H	α-helix	trans	-66	-45.4	-179	0	0	0	0	0	112.2	A187 V191 S200 I201 C208	A187-A204 HydrophobicContact CB-CB 4.47Å; A187-A204 WeakPolarHBondContact O-CB 3.12Å; V191-A204 HydrophobicContact CG1-CB 3.92Å; V191-A204 HydrophobicContact CG2-CB 3.98Å; S200-A204 WeakPolarHBondContact O-CB 3.48Å; S200-A204 PolarHBondContact O-N 3.32Å; I201-A204 PolarHBondContact O-N 2.88Å; A204-C208 WeakPolarHBondContact O-CB 3.31Å; A204-C208 PolarHBondContact O-N 3.23Å
205	V	98.6	Very high	97.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-50.6	178.7	170.7	0	0	0	0	110.8	C184 I201 K207 C208 A209 V216 H237 P260 I262	C184-V205 HydrophobicContact CB-CG1 4.16Å; C184-V205 WeakPolarHBondContact O-CG2 3.03Å; I201-V205 HydrophobicContact CG2-CG2 4.08Å; I201-V205 WeakPolarHBondContact O-CB 3.36Å; I201-V205 VanDerWaalsContact O-CG2 3.25Å; I201-V205 WeakPolarHBondContact O-CG2 3.16Å; I201-V205 PolarHBondContact O-N 3.29Å; V205-K207 VanDerWaalsContact C-N 3.34Å; V205-K207 PolarHBondContact O-N 2.83Å; V205-C208 WeakPolarHBondContact O-CB 3.42Å; V205-C208 PolarHBondContact O-N 3.06Å; V205-C208 VanDerWaalsContact O-N 3.11Å; V205-A209 PolarHBondContact O-N 2.86Å; V205-V216 HydrophobicContact CG1-CG1 4.4Å; V205-V216 HydrophobicContact CG1-CG2 3.79Å; V205-H237 WeakPolarHBondContact CB-O 3.15Å; V205-H237 HydrophobicContact CG1-CB 4.14Å; V205-H237 WeakPolarHBondContact CG1-O 3.16Å; V205-P260 HydrophobicContact CG1-CB 3.67Å; V205-P260 HydrophobicContact CG1-CG 4.29Å; V205-P260 HydrophobicContact CG2-CB 4.32Å; V205-P260 HydrophobicContact CG2-CG 4.3Å; V205-I262 HydrophobicContact CG1-CD1 4.34Å
206	T	98	Very high	97.2	Very high	3 Å²	3	30 Å²	30	2%	0.018	16%	0.161	C	C	.	.	H	α-helix	trans	-60.8	-45.2	-179.4	-56.3	0	0	0	0	111.1	A202 C208 A209 D210 H237 S238 I239	A202-T206 VanDerWaalsContact O-CB 3.29Å; A202-T206 WeakPolarHBondContact O-CB 3.37Å; A202-T206 PolarHBondContact O-N 2.81Å; A202-T206 PolarHBondContact O-OG1 3.5Å; T206-C208 PolarHBondContact O-N 2.87Å; T206-A209 PolarHBondContact O-N 3.34Å; T206-D210 WeakPolarHBondContact O-CB 3.3Å; T206-D210 PolarHBondContact O-N 3.39Å; T206-H237 PolarHBondContact OG1-O 3.24Å; T206-S238 WeakPolarHBondContact OG1-CA 3.35Å; T206-I239 HydrophobicContact CG2-CD1 3.8Å; T206-I239 HydrophobicContact CG2-CG1 3.89Å; T206-I239 HydrophobicContact CG2-CG2 4.3Å; T206-I239 PolarHBondContact OG1-N 3.15Å
207	K	97.2	Very high	97.2	Very high	159 Å²	159	28.8 Å²	28.8	69%	0.691	15%	0.151	S	C	*	.	H	α-helix	trans	-58.1	-38.5	177	-179.3	-179.7	176.9	-177	0	112	E203 V205 A211	E203-K207 WeakPolarHBondContact O-CB 3.29Å; E203-K207 PolarHBondContact O-N 3.24Å; V205-K207 VanDerWaalsContact C-N 3.34Å; V205-K207 PolarHBondContact O-N 2.83Å; K207-A211 WeakPolarHBondContact O-CB 3.43Å; K207-A211 PolarHBondContact O-N 3.42Å
208	C	97.9	Very high	97.2	Very high	21 Å²	21	27.2 Å²	27.2	14%	0.142	14%	0.143	C	C	.	.	H	α-helix	trans	-67.2	-53	176.6	-167.6	0	0	0	0	111.1	A187 A204 V205 T206 D210 A211 F212	A187-C208 HydrophobicContact CB-CB 3.96Å; A204-C208 WeakPolarHBondContact O-CB 3.31Å; A204-C208 PolarHBondContact O-N 3.23Å; V205-C208 WeakPolarHBondContact O-CB 3.42Å; V205-C208 PolarHBondContact O-N 3.06Å; V205-C208 VanDerWaalsContact O-N 3.11Å; T206-C208 PolarHBondContact O-N 2.87Å; C208-D210 VanDerWaalsContact C-N 3.32Å; C208-D210 PolarHBondContact O-N 3.39Å; C208-A211 WeakPolarHBondContact O-CB 3.35Å; C208-A211 PolarHBondContact O-N 2.89Å; C208-A211 VanDerWaalsContact O-N 3.11Å; C208-F212 VanDerWaalsContact O-CD2 3.27Å; C208-F212 WeakPolarHBondContact O-CD2 3.43Å; C208-F212 PolarHBondContact O-N 2.81Å
209	A	97.4	Very high	97	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-55.8	-46.2	180	0	0	0	0	0	111.9	V205 T206 A211 F212 Q213 C214 V216 I262	V205-A209 PolarHBondContact O-N 2.86Å; T206-A209 PolarHBondContact O-N 3.34Å; A209-A211 PolarHBondContact O-N 3.26Å; A209-F212 CarbonylContact O-C 3.27Å; A209-F212 VanDerWaalsContact O-C 3.27Å; A209-F212 WeakPolarHBondContact O-CA 3.27Å; A209-F212 PolarHBondContact O-N 3.36Å; A209-F212 VanDerWaalsContact O-N 3.09Å; A209-Q213 PolarHBondContact O-N 2.71Å; A209-C214 CarbonylContact C-O 3.56Å; A209-C214 VanDerWaalsContact C-O 3.31Å; A209-C214 PolarHBondContact O-N 3.42Å; A209-V216 HydrophobicContact CB-CG2 3.88Å; A209-I262 HydrophobicContact CB-CD1 4.29Å
210	D	94.7	Very high	96.9	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.011	17%	0.173	C	C	.	.	H	α-helix	trans	-58.7	-42.5	176.6	-85.5	-2.8	0	0	0	113.5	T206 C208 F212 Q213 F273 R275 N276	T206-D210 WeakPolarHBondContact O-CB 3.3Å; T206-D210 PolarHBondContact O-N 3.39Å; C208-D210 VanDerWaalsContact C-N 3.32Å; C208-D210 PolarHBondContact O-N 3.39Å; D210-F212 PolarHBondContact O-N 3.3Å; D210-Q213 PolarHBondContact O-N 2.88Å; D210-Q213 PolarHBondContact O-NE2 2.97Å; D210-F273 WeakPolarHBondContact OD1-CE2 3.32Å; D210-R275 HydrophobicContact CB-CG 4.29Å; D210-R275 VanDerWaalsContact OD2-CA 3.32Å; D210-R275 WeakPolarHBondContact OD2-CA 3.28Å; D210-R275 WeakPolarHBondContact OD2-CB 3.44Å; D210-N276 PolarHBondContact OD2-N 2.78Å; D210-N276 PolarHBondContact OD2-OD1 3.32Å; D210-N276 VanDerWaalsContact OD2-OD1 3.09Å
211	A	94.6	Very high	96.9	Very high	61 Å²	61	32.9 Å²	32.9	50%	0.504	18%	0.175	S	C	.	.	H	α-helix	trans	-61.7	-29.8	179.2	0	0	0	0	0	111.6	K207 C208 A209	K207-A211 WeakPolarHBondContact O-CB 3.43Å; K207-A211 PolarHBondContact O-N 3.42Å; C208-A211 WeakPolarHBondContact O-CB 3.35Å; C208-A211 PolarHBondContact O-N 2.89Å; C208-A211 VanDerWaalsContact O-N 3.11Å; A209-A211 PolarHBondContact O-N 3.26Å
212	F	94.5	Very high	96.9	Very high	71 Å²	71	32.9 Å²	32.9	31%	0.311	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	16.8	174.8	-64.8	-74.6	0	0	0	113.3	Y176 V180 K183 C208 A209 D210 C214	Y176-F212 PolarHBondContact OH-O 3.18Å; V180-F212 HydrophobicContact CB-CB 4.33Å; V180-F212 HydrophobicContact CG1-CB 3.64Å; V180-F212 HydrophobicContact CG1-CD2 4.17Å; V180-F212 HydrophobicContact CG1-CG 4.12Å; V180-F212 HydrophobicContact CG2-CB 3.63Å; V180-F212 HydrophobicContact CG2-CD1 4.16Å; V180-F212 HydrophobicContact CG2-CD2 4.44Å; V180-F212 HydrophobicContact CG2-CG 3.83Å; K183-F212 HydrophobicContact CD-CE1 4.4Å; K183-F212 HydrophobicContact CD-CE2 3.72Å; K183-F212 HydrophobicContact CD-CZ 3.64Å; C208-F212 VanDerWaalsContact O-CD2 3.27Å; C208-F212 WeakPolarHBondContact O-CD2 3.43Å; C208-F212 PolarHBondContact O-N 2.81Å; A209-F212 CarbonylContact O-C 3.27Å; A209-F212 VanDerWaalsContact O-C 3.27Å; A209-F212 WeakPolarHBondContact O-CA 3.27Å; A209-F212 PolarHBondContact O-N 3.36Å; A209-F212 VanDerWaalsContact O-N 3.09Å; D210-F212 PolarHBondContact O-N 3.3Å; F212-C214 PolarHBondContact O-N 3.29Å; F212-C214 PolarHBondContact O-SG 3.01Å; F212-C214 VanDerWaalsContact O-SG 3.39Å
213	Q	93.5	Very high	96.9	Very high	56 Å²	56	33.6 Å²	33.6	26%	0.262	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	30.9	176.2	-58	-67.5	-77.3	0	0	113.7	A209 D210 P265 F273	A209-Q213 PolarHBondContact O-N 2.71Å; D210-Q213 PolarHBondContact O-N 2.88Å; D210-Q213 PolarHBondContact O-NE2 2.97Å; Q213-P265 WeakPolarHBondContact O-CD 3.48Å; Q213-F273 HydrophobicContact CB-CE1 4.46Å
214	C	95.6	Very high	96.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	16%	0.155	C	C	.	.			trans	-109.9	167.1	172.5	-65.3	0	0	0	0	109.4	V180 A209 F212 I262 F273	V180-C214 HydrophobicContact CG1-CB 4.01Å; A209-C214 CarbonylContact C-O 3.56Å; A209-C214 VanDerWaalsContact C-O 3.31Å; A209-C214 PolarHBondContact O-N 3.42Å; F212-C214 PolarHBondContact O-N 3.29Å; F212-C214 PolarHBondContact O-SG 3.01Å; F212-C214 VanDerWaalsContact O-SG 3.39Å; C214-I262 HydrophobicContact CB-CG2 3.54Å; C214-F273 WeakPolarHBondContact O-CZ 3.48Å
215	R	96.6	Very high	96.9	Very high	13 Å²	13	27.8 Å²	27.8	5%	0.049	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	144	-177	-59.7	178.3	-60.1	167.4	-2.3	110.1	I262 S263 L264 F273 S278 A280 D295	R215-I262 CarbonylContact O-C 3.31Å; R215-I262 WeakPolarHBondContact O-CA 3.31Å; R215-S263 PolarHBondContact N-O 3.34Å; R215-S263 PolarHBondContact NH2-OG 2.93Å; R215-S263 PolarHBondContact O-N 2.89Å; R215-L264 PolarHBondContact NE-O 3.22Å; R215-L264 PolarHBondContact NH2-O 3.33Å; R215-F273 HydrophobicContact CG-CE1 4.36Å; R215-F273 HydrophobicContact CG-CZ 4.32Å; R215-S278 WeakPolarHBondContact CD-OG 3.04Å; R215-A280 HydrophobicContact CB-CB 4.33Å; R215-D295 IonicContact CZ-OD2 3.4Å; R215-D295 IonicContact NH1-OD2 3.73Å; R215-D295 PolarHBondContact NH1-OD2 2.83Å; R215-D295 IonicContact NH2-OD1 3.81Å; R215-D295 PolarHBondContact NH2-OD1 3.39Å; R215-D295 IonicContact NH2-OD2 3.67Å; R215-D295 PolarHBondContact NH2-OD2 3.42Å
216	V	98	Very high	96.8	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.018	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	134.8	165.9	-171.5	0	0	0	0	108.2	V205 A209 H237 I262 F279 A280	V205-V216 HydrophobicContact CG1-CG1 4.4Å; V205-V216 HydrophobicContact CG1-CG2 3.79Å; A209-V216 HydrophobicContact CB-CG2 3.88Å; V216-H237 HydrophobicContact CG1-CB 3.9Å; V216-I262 HydrophobicContact CG2-CD1 4.08Å; V216-F279 WeakPolarHBondContact O-CA 3.49Å; V216-A280 PolarHBondContact O-N 3.24Å
217	V	98.1	Very high	96.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-77.5	123.1	169.3	-170.6	0	0	0	0	108	V116 V220 C261 A280 P282 T293 T299	V116-V217 HydrophobicContact CG1-CB 4.24Å; V116-V217 HydrophobicContact CG1-CG1 3.92Å; V116-V217 HydrophobicContact CG1-CG2 4.25Å; V116-V217 HydrophobicContact CG2-CG1 4.01Å; V116-V217 HydrophobicContact CG2-CG2 4.2Å; V217-V220 HydrophobicContact CB-CG2 4Å; V217-V220 HydrophobicContact CG1-CG2 4Å; V217-C261 HydrophobicContact CB-CB 4.01Å; V217-C261 HydrophobicContact CG2-CB 3.95Å; V217-C261 WeakPolarHBondContact CG2-O 3.24Å; V217-C261 PolarHBondContact N-O 3.16Å; V217-A280 WeakPolarHBondContact CA-O 3.25Å; V217-A280 HydrophobicContact CB-CB 4.42Å; V217-A280 HydrophobicContact CG2-CB 3.96Å; V217-P282 HydrophobicContact CG1-CB 4.03Å; V217-P282 HydrophobicContact CG1-CG 4.33Å; V217-T293 HydrophobicContact CG2-CG2 4.3Å; V217-T299 HydrophobicContact CG2-CG2 4.27Å
218	V	97.5	Very high	96.6	Very high	9 Å²	9	22.4 Å²	22.4	6%	0.055	13%	0.128	C	C	.	.	S	Bend	trans	-82.1	170.8	177.7	-65.2	0	0	0	0	111.1	V220 H240 E241 F279 A280 P282	V218-V220 PolarHBondContact O-N 2.9Å; V218-H240 HydrophobicContact CG1-CB 4.31Å; V218-E241 HydrophobicContact CB-CG 4.13Å; V218-E241 HydrophobicContact CG1-CG 4.13Å; V218-F279 HydrophobicContact CB-CD2 4.4Å; V218-F279 HydrophobicContact CG1-CB 3.79Å; V218-F279 HydrophobicContact CG1-CD2 3.77Å; V218-F279 HydrophobicContact CG1-CG 3.92Å; V218-F279 HydrophobicContact CG2-CD2 3.69Å; V218-F279 HydrophobicContact CG2-CE2 4.12Å; V218-A280 PolarHBondContact N-O 2.86Å; V218-A280 VanDerWaalsContact N-O 3.12Å; V218-P282 VanDerWaalsContact O-CD 3.3Å; V218-P282 WeakPolarHBondContact O-CD 3.45Å; V218-P282 WeakPolarHBondContact O-CG 3.34Å
219	D	95.4	Very high	96.6	Very high	112 Å²	112	21.6 Å²	21.6	60%	0.599	12%	0.122	S	C	*	.	S	Bend	trans	63.5	2.1	175.7	-65.4	-39.1	0	0	0	115.7	E241 P282	D219-E241 PolarHBondContact N-OE1 3.04Å; D219-P282 HydrophobicContact CB-CG 3.96Å
220	V	96.3	Very high	96.6	Very high	18 Å²	18	25.1 Å²	25.1	11%	0.109	14%	0.139	C	C	.	.			trans	-112.6	134.9	163.6	-65	0	0	0	0	108.7	V116 V217 V218 C261 V291	V116-V220 HydrophobicContact CG1-CG1 4.12Å; V116-V220 HydrophobicContact CG1-CG2 4Å; V217-V220 HydrophobicContact CB-CG2 4Å; V217-V220 HydrophobicContact CG1-CG2 4Å; V218-V220 PolarHBondContact O-N 2.9Å; V220-C261 HydrophobicContact CG2-CB 4.06Å; V220-V291 HydrophobicContact CG1-CG1 4.28Å
221	C	97.3	Very high	96.6	Very high	37 Å²	37	25.9 Å²	25.9	25%	0.25	15%	0.147	C	C	.	.			trans	-148.3	155.1	-165.4	59.8	0	0	0	0	111.6	K234 V235	C221-K234 HydrophobicContact CB-CG 3.91Å; C221-K234 VanDerWaalsContact SG-CE 3.56Å; C221-K234 VanDerWaalsContact SG-CG 3.58Å; C221-V235 CarbonylContact C-O 3.58Å; C221-V235 WeakPolarHBondContact CA-O 3.18Å; C221-V235 VanDerWaalsContact CB-O 3.3Å; C221-V235 WeakPolarHBondContact CB-O 3.39Å
222	G	98.4	Very high	96.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	167.9	166.6	0	0	0	0	0	112.5	V235 H237 T257 E259	G222-V235 PolarHBondContact N-O 2.96Å; G222-V235 PolarHBondContact O-N 3.49Å; G222-H237 PolarHBondContact N-CE1 3.11Å; G222-H237 VanDerWaalsContact N-CE1 3.31Å; G222-T257 WeakPolarHBondContact CA-OG1 3.47Å; G222-E259 VanDerWaalsContact CA-CG 3.5Å; G222-E259 VanDerWaalsContact CA-OE1 3.31Å; G222-E259 WeakPolarHBondContact CA-OE1 3.45Å
223	H	98.3	Very high	96.9	Very high	15 Å²	15	21.7 Å²	21.7	7%	0.069	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	159.7	-175.9	60	87.2	0	0	0	111.8	D147 L229 H230 P233 F256 T257 E259	D147-H223 IonicContact OD2-CE1 2.71Å; D147-H223 IonicContact OD2-NE2 3.28Å; H223-L229 PolarHBondContact CE1-O 2.82Å; H223-L229 PolarHBondContact ND1-O 3.13Å; H223-H230 AromaticContact CD2-CD2 3.3Å; H223-H230 PolarHBondContact CD2-CD2 3.19Å; H223-H230 AromaticContact CD2-NE2 3.68Å; H223-H230 AromaticContact CE1-CD2 3.84Å; H223-H230 AromaticContact CG-CD2 3.49Å; H223-H230 VanDerWaalsContact CG-CD2 3.49Å; H223-H230 AromaticContact ND1-CD2 3.84Å; H223-H230 AromaticContact NE2-CD2 3.51Å; H223-H230 AromaticContact NE2-NE2 3.55Å; H223-P233 CarbonylContact C-O 3.49Å; H223-P233 VanDerWaalsContact CA-O 3.24Å; H223-P233 WeakPolarHBondContact CA-O 3.45Å; H223-F256 CarbonylContact O-C 3.5Å; H223-F256 WeakPolarHBondContact O-CA 3.5Å; H223-F256 VanDerWaalsContact O-CB 3.24Å; H223-F256 WeakPolarHBondContact O-CB 3.41Å; H223-T257 PolarHBondContact N-OG1 2.98Å; H223-T257 PolarHBondContact O-N 3.21Å; H223-T257 PolarHBondContact O-OG1 3.36Å; H223-E259 IonicContact CD2-OE1 3.99Å; H223-E259 PolarHBondContact CD2-OE1 3.11Å; H223-E259 IonicContact NE2-OE1 3.96Å
224	G	98.3	Very high	97	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	149.2	163.6	0	0	0	0	0	111.1	G231 P232 P233 T255	G224-G231 WeakPolarHBondContact CA-O 3.4Å; G224-G231 PolarHBondContact N-O 3.16Å; G224-G231 PolarHBondContact O-N 2.96Å; G224-P232 WeakPolarHBondContact CA-O 3.45Å; G224-P233 PolarHBondContact N-O 3.38Å; G224-T255 WeakPolarHBondContact CA-O 3.48Å
225	I	98.3	Very high	97.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.128	C	C	.	.			trans	-143.3	152.4	-178.8	-170.5	167.5	0	0	0	111.2	Q46 H145 D147 L229 T255 T305	Q46-I225 PolarHBondContact NE2-O 2.79Å; H145-I225 HydrophobicContact CB-CD1 3.82Å; H145-I225 HydrophobicContact CB-CG1 3.88Å; D147-I225 HydrophobicContact CB-CD1 3.48Å; D147-I225 VanDerWaalsContact CB-CD1 3.48Å; I225-L229 HydrophobicContact CD1-CD1 4.34Å; I225-T255 HydrophobicContact CG2-CG2 3.76Å; I225-T255 PolarHBondContact N-O 3.29Å; I225-T305 HydrophobicContact CG2-CG2 3.59Å
226	G	96.9	Very high	97.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	171.6	-127.1	178.6	0	0	0	0	0	110.4	V144 H145 F228	V144-G226 CarbonylContact C-O 3.47Å; V144-G226 VanDerWaalsContact CA-O 3.26Å; V144-G226 WeakPolarHBondContact CA-O 3.24Å; V144-G226 WeakPolarHBondContact CB-O 3.48Å; H145-G226 PolarHBondContact N-O 3.43Å; G226-F228 CarbonylContact C-O 3.5Å; G226-F228 PolarHBondContact N-O 3.27Å; G226-F228 PolarHBondContact O-N 3.15Å; G226-F228 VanDerWaalsContact O-N 3.11Å
227	P	95.7	Very high	97.2	Very high	31 Å²	31	23 Å²	23	20%	0.201	13%	0.126	C	C	.	.	S	Bend	trans	-58.6	-18.5	170.6	-25.8	36.2	0	0	0	114.6	L38 Y143 V144	L38-P227 HydrophobicContact CD1-CB 3.95Å; L38-P227 VanDerWaalsContact CD1-O 3.22Å; L38-P227 WeakPolarHBondContact CD1-O 3.49Å; Y143-P227 WeakPolarHBondContact O-CA 3.42Å; V144-P227 HydrophobicContact CG1-CG 4.21Å
228	F	95.9	Very high	97.2	Very high	18 Å²	18	23 Å²	23	8%	0.079	13%	0.127	C	C	.	.	S	Bend	trans	-109.4	149.3	171.9	51.8	-89.4	0	0	0	109.5	L38 Q40 A44 G226	L38-F228 HydrophobicContact CB-CB 4.2Å; Q40-F228 HydrophobicContact CG-CD1 3.46Å; Q40-F228 VanDerWaalsContact CG-CD1 3.46Å; Q40-F228 HydrophobicContact CG-CD2 4.34Å; Q40-F228 HydrophobicContact CG-CE1 3.24Å; Q40-F228 HydrophobicContact CG-CE2 4.13Å; Q40-F228 HydrophobicContact CG-CG 4.03Å; Q40-F228 HydrophobicContact CG-CZ 3.6Å; A44-F228 HydrophobicContact CB-CE1 4.11Å; A44-F228 HydrophobicContact CB-CZ 4.06Å; G226-F228 CarbonylContact C-O 3.5Å; G226-F228 PolarHBondContact N-O 3.27Å; G226-F228 PolarHBondContact O-N 3.15Å; G226-F228 VanDerWaalsContact O-N 3.11Å
229	L	97	Very high	97.2	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.026	14%	0.135	C	C	.	.	S	Bend	trans	-71	-54.3	177.1	-175.7	62.3	0	0	0	111.1	Y101 H145 H223 I225	Y101-L229 HydrophobicContact CD1-CD2 3.97Å; Y101-L229 HydrophobicContact CD2-CB 4.48Å; Y101-L229 HydrophobicContact CD2-CD2 3.91Å; Y101-L229 HydrophobicContact CE1-CD2 4.12Å; Y101-L229 HydrophobicContact CE2-CB 4.04Å; Y101-L229 HydrophobicContact CE2-CD2 4.07Å; Y101-L229 HydrophobicContact CG-CD2 3.87Å; H145-L229 HydrophobicContact CB-CD1 3.89Å; H145-L229 PolarHBondContact CD2-N 3.45Å; H145-L229 VanDerWaalsContact CD2-N 3.33Å; H223-L229 PolarHBondContact CE1-O 2.82Å; H223-L229 PolarHBondContact ND1-O 3.13Å; I225-L229 HydrophobicContact CD1-CD1 4.34Å
230	H	97	Very high	97.2	Very high	74 Å²	74	22.9 Å²	22.9	34%	0.343	12%	0.123	S	C	.	.	S	Bend	trans	-117.9	131.3	178.2	-63.4	78.4	0	0	0	111.7	Y101 H223	Y101-H230 AromaticContact CE1-CE1 3.73Å; Y101-H230 AromaticContact CE1-ND1 3.36Å; Y101-H230 WeakPolarHBondContact CE1-ND1 3.41Å; Y101-H230 AromaticContact CZ-ND1 3.38Å; Y101-H230 WeakPolarHBondContact OH-CB 3.47Å; Y101-H230 PolarHBondContact OH-ND1 3.44Å; H223-H230 AromaticContact CD2-CD2 3.3Å; H223-H230 PolarHBondContact CD2-CD2 3.19Å; H223-H230 AromaticContact CD2-NE2 3.68Å; H223-H230 AromaticContact CE1-CD2 3.84Å; H223-H230 AromaticContact CG-CD2 3.49Å; H223-H230 VanDerWaalsContact CG-CD2 3.49Å; H223-H230 AromaticContact ND1-CD2 3.84Å; H223-H230 AromaticContact NE2-CD2 3.51Å; H223-H230 AromaticContact NE2-NE2 3.55Å
231	G	96.2	Very high	97.2	Very high	18 Å²	18	22.5 Å²	22.5	19%	0.186	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	-174.7	171.3	0	0	0	0	0	111.8	G224	G224-G231 WeakPolarHBondContact CA-O 3.4Å; G224-G231 PolarHBondContact N-O 3.16Å; G224-G231 PolarHBondContact O-N 2.96Å
232	P	97	Very high	97.1	Very high	34 Å²	34	22.6 Å²	22.6	22%	0.221	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	147	175.4	-19.3	33.2	0	0	0	111.5	Q40 I43 G224	Q40-P232 HydrophobicContact CB-CG 4.37Å; Q40-P232 WeakPolarHBondContact O-CD 3.12Å; Q40-P232 WeakPolarHBondContact O-CG 3.44Å; I43-P232 HydrophobicContact CG1-CB 4.03Å; G224-P232 WeakPolarHBondContact CA-O 3.45Å
233	P	97.1	Very high	96.8	Very high	10 Å²	10	27.8 Å²	27.8	7%	0.065	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-85.6	158.3	8.1	30.4	-27.5	0	0	0	112.9	I43 Y198 H223 G224 V235 F256	I43-P233 HydrophobicContact CD1-CB 3.7Å; I43-P233 HydrophobicContact CD1-CG 4.15Å; I43-P233 HydrophobicContact CG1-CB 3.91Å; I43-P233 HydrophobicContact CG1-CG 4.32Å; I43-P233 HydrophobicContact CG2-CG 4.49Å; Y198-P233 HydrophobicContact CD1-CB 4.37Å; Y198-P233 HydrophobicContact CD1-CG 4.01Å; Y198-P233 HydrophobicContact CE1-CB 4.15Å; Y198-P233 HydrophobicContact CE1-CG 3.38Å; Y198-P233 HydrophobicContact CE2-CB 4.35Å; Y198-P233 HydrophobicContact CE2-CG 4.15Å; Y198-P233 VanDerWaalsContact CZ-CG 3.48Å; H223-P233 CarbonylContact C-O 3.49Å; H223-P233 VanDerWaalsContact CA-O 3.24Å; H223-P233 WeakPolarHBondContact CA-O 3.45Å; G224-P233 PolarHBondContact N-O 3.38Å; P233-V235 HydrophobicContact CB-CG2 4.37Å; P233-V235 HydrophobicContact CG-CG2 3.82Å; P233-F256 HydrophobicContact CG-CB 4.29Å; P233-F256 HydrophobicContact CG-CG 4.49Å
234	K	96.3	Very high	96.4	Very high	94 Å²	94	31.1 Å²	31.1	41%	0.409	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	117.1	157.3	-178.5	174.5	177.8	179.1	0	108	C221 V236 Q245	C221-K234 HydrophobicContact CB-CG 3.91Å; C221-K234 VanDerWaalsContact SG-CE 3.56Å; C221-K234 VanDerWaalsContact SG-CG 3.58Å; K234-V236 HydrophobicContact CD-CG1 4.45Å; K234-V236 HydrophobicContact CG-CG1 4.31Å; K234-Q245 PolarHBondContact O-OE1 3.34Å
235	V	98.3	Very high	96.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	95.6	-178.4	-175	0	0	0	0	109.2	Y198 I201 C221 G222 P233 H237 F256	Y198-V235 HydrophobicContact CD1-CG2 3.99Å; Y198-V235 HydrophobicContact CE1-CG2 4.14Å; I201-V235 HydrophobicContact CD1-CG1 3.55Å; I201-V235 HydrophobicContact CG2-CG1 4.27Å; C221-V235 CarbonylContact C-O 3.58Å; C221-V235 WeakPolarHBondContact CA-O 3.18Å; C221-V235 VanDerWaalsContact CB-O 3.3Å; C221-V235 WeakPolarHBondContact CB-O 3.39Å; G222-V235 PolarHBondContact N-O 2.96Å; G222-V235 PolarHBondContact O-N 3.49Å; P233-V235 HydrophobicContact CB-CG2 4.37Å; P233-V235 HydrophobicContact CG-CG2 3.82Å; V235-H237 PolarHBondContact O-CE1 3.27Å; V235-F256 HydrophobicContact CG2-CB 4.31Å; V235-F256 HydrophobicContact CG2-CD2 3.78Å; V235-F256 HydrophobicContact CG2-CE2 4.44Å; V235-F256 HydrophobicContact CG2-CG 4.26Å
236	V	98.2	Very high	95.8	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.024	22%	0.217	C	C	.	.			trans	-77.3	149.5	177	-59.5	0	0	0	0	111.2	A202 K234 E241 Q245	A202-V236 HydrophobicContact CB-CG2 4.11Å; K234-V236 HydrophobicContact CD-CG1 4.45Å; K234-V236 HydrophobicContact CG-CG1 4.31Å; V236-E241 HydrophobicContact CB-CB 3.9Å; V236-E241 HydrophobicContact CG1-CB 3.91Å; V236-E241 HydrophobicContact CG2-CB 4.17Å; V236-Q245 HydrophobicContact CB-CG 4.35Å; V236-Q245 HydrophobicContact CG1-CG 3.84Å; V236-Q245 HydrophobicContact CG2-CG 3.53Å
237	H	98.5	Very high	95.7	Very high	1 Å²	1	43 Å²	43	1%	0.005	25%	0.251	C	S	.	.			trans	-113.3	-9.1	-176.1	-61.9	109.1	0	0	0	113.2	A202 V205 T206 V216 G222 V235 E259 P260	A202-H237 WeakPolarHBondContact CA-O 3.42Å; V205-H237 WeakPolarHBondContact CB-O 3.15Å; V205-H237 HydrophobicContact CG1-CB 4.14Å; V205-H237 WeakPolarHBondContact CG1-O 3.16Å; T206-H237 PolarHBondContact OG1-O 3.24Å; V216-H237 HydrophobicContact CG1-CB 3.9Å; G222-H237 PolarHBondContact N-CE1 3.11Å; G222-H237 VanDerWaalsContact N-CE1 3.31Å; V235-H237 PolarHBondContact O-CE1 3.27Å; H237-E259 VanDerWaalsContact CE1-C 3.42Å; H237-E259 PolarHBondContact CE1-N 2.95Å; H237-E259 PolarHBondContact NE2-N 3.49Å; H237-P260 HydrophobicContact CB-CB 3.9Å
238	S	97.9	Very high	95.7	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.007	26%	0.256	C	S	.	.			trans	-112.3	136.7	-179.7	-174.6	0	0	0	0	112	T206 H240 E241	T206-S238 WeakPolarHBondContact OG1-CA 3.35Å; S238-H240 PolarHBondContact O-N 3.25Å; S238-H240 VanDerWaalsContact O-N 3.14Å; S238-H240 PolarHBondContact OG-CD2 2.85Å; S238-H240 PolarHBondContact OG-N 3.38Å; S238-E241 VanDerWaalsContact CB-OE2 3.29Å; S238-E241 WeakPolarHBondContact CB-OE2 3.37Å; S238-E241 PolarHBondContact O-N 3.38Å
239	I	97.3	Very high	95.8	Very high	45 Å²	45	49.6 Å²	49.6	23%	0.231	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-60.4	-23.3	172.8	65.7	-176.4	0	0	0	112.3	E203 T206 E241 I242 N276	E203-I239 HydrophobicContact CB-CG2 4.43Å; E203-I239 HydrophobicContact CG-CG2 4.15Å; T206-I239 HydrophobicContact CG2-CD1 3.8Å; T206-I239 HydrophobicContact CG2-CG1 3.89Å; T206-I239 HydrophobicContact CG2-CG2 4.3Å; T206-I239 PolarHBondContact OG1-N 3.15Å; I239-E241 PolarHBondContact O-N 3.34Å; I239-I242 HydrophobicContact CB-CD1 4.03Å; I239-I242 HydrophobicContact CG2-CD1 3.94Å; I239-I242 PolarHBondContact O-N 2.96Å; I239-N276 HydrophobicContact CD1-CB 3.58Å; I239-N276 VanDerWaalsContact CD1-CG 3.41Å; I239-N276 VanDerWaalsContact CD1-OD1 3.31Å; I239-N276 WeakPolarHBondContact CD1-OD1 3.25Å
240	H	95.8	Very high	95.9	Very high	74 Å²	74	49.3 Å²	49.3	34%	0.343	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-68.2	-12.3	178.3	-61.9	-69.7	0	0	0	112.7	V218 S238 N276 F279	V218-H240 HydrophobicContact CG1-CB 4.31Å; S238-H240 PolarHBondContact O-N 3.25Å; S238-H240 VanDerWaalsContact O-N 3.14Å; S238-H240 PolarHBondContact OG-CD2 2.85Å; S238-H240 PolarHBondContact OG-N 3.38Å; H240-N276 PolarHBondContact CE1-O 3.38Å; H240-N276 VanDerWaalsContact CE1-O 3.25Å; H240-F279 HydrophobicContact CB-CD1 4.12Å; H240-F279 HydrophobicContact CB-CE1 4.38Å; H240-F279 AromaticContact CD2-CD1 3.39Å; H240-F279 WeakPolarHBondContact CD2-CD1 3.24Å; H240-F279 AromaticContact CD2-CG 3.96Å; H240-F279 AromaticContact CE1-CD1 3.92Å; H240-F279 AromaticContact CG-CD1 3.51Å; H240-F279 AromaticContact CG-CE1 3.95Å; H240-F279 AromaticContact ND1-CD1 3.84Å; H240-F279 AromaticContact ND1-CE1 3.97Å; H240-F279 AromaticContact NE2-CD1 3.66Å
241	E	96.4	Very high	95.9	Very high	11 Å²	11	49.4 Å²	49.4	5%	0.051	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-104.5	-11.6	177.8	-61.7	171.8	91.6	0	0	112.9	V218 D219 V236 S238 I239 A243 S244	V218-E241 HydrophobicContact CB-CG 4.13Å; V218-E241 HydrophobicContact CG1-CG 4.13Å; D219-E241 PolarHBondContact N-OE1 3.04Å; V236-E241 HydrophobicContact CB-CB 3.9Å; V236-E241 HydrophobicContact CG1-CB 3.91Å; V236-E241 HydrophobicContact CG2-CB 4.17Å; S238-E241 VanDerWaalsContact CB-OE2 3.29Å; S238-E241 WeakPolarHBondContact CB-OE2 3.37Å; S238-E241 PolarHBondContact O-N 3.38Å; I239-E241 PolarHBondContact O-N 3.34Å; E241-A243 VanDerWaalsContact C-N 3.27Å; E241-A243 PolarHBondContact O-N 2.8Å; E241-S244 WeakPolarHBondContact O-CB 3.37Å; E241-S244 PolarHBondContact O-N 3.31Å; E241-S244 PolarHBondContact O-OG 2.84Å
242	I	94.5	Very high	96	Very high	39 Å²	39	50.6 Å²	50.6	20%	0.2	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-57.5	-38.7	-173.7	-73.4	174.8	0	0	0	112.1	T199 A202 E203 I239 S244 Q245	T199-I242 HydrophobicContact CG2-CG1 4.33Å; T199-I242 HydrophobicContact CG2-CG2 4.07Å; A202-I242 HydrophobicContact CB-CD1 3.99Å; A202-I242 HydrophobicContact CB-CG1 3.93Å; E203-I242 HydrophobicContact CG-CD1 3.77Å; I239-I242 HydrophobicContact CB-CD1 4.03Å; I239-I242 HydrophobicContact CG2-CD1 3.94Å; I239-I242 PolarHBondContact O-N 2.96Å; I242-S244 PolarHBondContact O-N 2.85Å; I242-Q245 PolarHBondContact O-N 3.44Å
243	A	92.5	Very high	96.1	Very high	109 Å²	109	49.4 Å²	49.4	90%	0.901	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-60.4	-20.8	-179.9	0	0	0	0	0	113.3	E241	E241-A243 VanDerWaalsContact C-N 3.27Å; E241-A243 PolarHBondContact O-N 2.8Å
244	S	89.5	Confident	96.2	Very high	84 Å²	84	49.3 Å²	49.3	59%	0.587	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-91.4	-6.3	176.7	74.8	0	0	0	0	114	E241 I242	E241-S244 WeakPolarHBondContact O-CB 3.37Å; E241-S244 PolarHBondContact O-N 3.31Å; E241-S244 PolarHBondContact O-OG 2.84Å; I242-S244 PolarHBondContact O-N 2.85Å
245	Q	92.5	Very high	96.3	Very high	35 Å²	35	45 Å²	45	16%	0.164	26%	0.257	C	S	.	.	S	Bend	trans	-100.7	143.8	-172.5	-63.8	-54.7	-59.5	0	0	112.7	T199 K234 V236 I242	T199-Q245 HydrophobicContact CG2-CB 4.05Å; K234-Q245 PolarHBondContact O-OE1 3.34Å; V236-Q245 HydrophobicContact CB-CG 4.35Å; V236-Q245 HydrophobicContact CG1-CG 3.84Å; V236-Q245 HydrophobicContact CG2-CG 3.53Å; I242-Q245 PolarHBondContact O-N 3.44Å
246	P	92.4	Very high	96.3	Very high	81 Å²	81	45 Å²	45	53%	0.526	26%	0.257	S	S	.	.			trans	-67.1	149.5	168.1	30.7	-34.5	0	0	0	110.6	T248	P246-T248 WeakPolarHBondContact CG-OG1 3.5Å; P246-T248 PolarHBondContact O-N 3.38Å
247	L	93	Very high	96.3	Very high	135 Å²	135	44.9 Å²	44.9	71%	0.707	26%	0.256	S	S	*	.			trans	-77.3	55.9	173.8	-62.8	179.7	0	0	0	111.6	L197	L197-L247 HydrophobicContact CD2-CB 4.33Å
248	T	96.3	Very high	96.3	Very high	49 Å²	49	44.8 Å²	44.8	30%	0.301	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-81.6	138.2	-176.4	-55.6	0	0	0	0	111.1	I43 Y198 P246	I43-T248 HydrophobicContact CD1-CG2 3.55Å; Y198-T248 HydrophobicContact CD2-CG2 4.17Å; Y198-T248 WeakPolarHBondContact CD2-O 3.47Å; Y198-T248 HydrophobicContact CE2-CG2 4.28Å; Y198-T248 PolarHBondContact N-O 3.03Å; Y198-T248 VanDerWaalsContact N-O 3.13Å; P246-T248 WeakPolarHBondContact CG-OG1 3.5Å; P246-T248 PolarHBondContact O-N 3.38Å
249	R	98	Very high	96.4	Very high	138 Å²	138	45.5 Å²	45.5	52%	0.521	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-94.7	147.3	176.3	-66.4	-177.7	-175.8	-82	-1.3	111.8	N195 A196 L197	N195-R249 PolarHBondContact O-NH1 2.92Å; A196-R249 CarbonylContact O-C 3.33Å; A196-R249 VanDerWaalsContact O-CA 3.3Å; A196-R249 WeakPolarHBondContact O-CA 3.37Å; L197-R249 HydrophobicContact CD2-CG 3.86Å
250	M	98.5	Very high	96.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-72.2	132.2	169.8	-66.5	177	-163.8	0	0	110.1	C192 G193 N195 A196 Y198 I201 F256 I308	C192-M250 HydrophobicContact CB-CE 4.34Å; C192-M250 HydrophobicContact CB-SD 3.97Å; G193-M250 WeakPolarHBondContact O-CB 3.46Å; N195-M250 WeakPolarHBondContact CA-O 3.44Å; N195-M250 PolarHBondContact N-O 2.89Å; A196-M250 HydrophobicContact CB-SD 4.06Å; A196-M250 PolarHBondContact O-N 3.45Å; Y198-M250 HydrophobicContact CD1-CE 4Å; Y198-M250 HydrophobicContact CD1-CG 4.29Å; Y198-M250 HydrophobicContact CD2-CG 4.12Å; Y198-M250 HydrophobicContact CE1-CE 4.31Å; Y198-M250 HydrophobicContact CE1-CG 3.97Å; Y198-M250 HydrophobicContact CE2-CB 4.45Å; Y198-M250 HydrophobicContact CE2-CG 3.79Å; Y198-M250 HydrophobicContact CG-CE 4.34Å; Y198-M250 HydrophobicContact CG-CG 4.35Å; I201-M250 HydrophobicContact CD1-CE 3.56Å; I201-M250 HydrophobicContact CG1-CE 3.89Å; M250-F256 HydrophobicContact CE-CZ 4.06Å; M250-F256 HydrophobicContact CG-CE1 4.46Å; M250-F256 HydrophobicContact CG-CZ 4.38Å; M250-F256 HydrophobicContact SD-CZ 3.99Å; M250-I308 HydrophobicContact CB-CD1 4.27Å; M250-I308 HydrophobicContact CB-CG1 4.08Å; M250-I308 HydrophobicContact CB-CG2 4.45Å; M250-I308 HydrophobicContact CG-CD1 4.37Å; M250-I308 HydrophobicContact CG-CG1 4.48Å; M250-I308 HydrophobicContact SD-CD1 3.75Å; M250-I308 HydrophobicContact SD-CG1 4.48Å
251	L	98.3	Very high	96.6	Very high	75 Å²	75	39.9 Å²	39.9	39%	0.393	23%	0.232	S	C	.	.			trans	-118.6	150	174.5	-58	177.3	0	0	0	110	G253 H254 I308	L251-G253 PolarHBondContact O-N 3.02Å; L251-H254 PolarHBondContact N-ND1 2.83Å; L251-H254 VanDerWaalsContact O-CB 3.31Å; L251-H254 WeakPolarHBondContact O-CB 3.38Å; L251-H254 VanDerWaalsContact O-CG 3.27Å; L251-H254 PolarHBondContact O-N 2.87Å; L251-I308 WeakPolarHBondContact O-CB 3.23Å
252	P	98.5	Very high	96.7	Very high	44 Å²	44	39.4 Å²	39.4	29%	0.286	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	135.2	170.9	-26.9	34.8	0	0	0	111.9	P194 H254 I308 N310	P194-P252 HydrophobicContact CB-CG 4.3Å; P252-H254 VanDerWaalsContact C-N 3.34Å; P252-I308 CarbonylContact C-O 3.57Å; P252-I308 WeakPolarHBondContact CA-O 3.28Å; P252-N310 WeakPolarHBondContact CG-OD1 3.35Å
253	G	98.2	Very high	96.9	Very high	8 Å²	8	37.5 Å²	37.5	8%	0.082	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-9.3	-176.2	0	0	0	0	0	114.9	Q46 L251 T255 I308	Q46-G253 VanDerWaalsContact CB-O 3.28Å; Q46-G253 WeakPolarHBondContact CB-O 3.35Å; Q46-G253 WeakPolarHBondContact CG-O 3.44Å; Q46-G253 PolarHBondContact N-O 3.34Å; L251-G253 PolarHBondContact O-N 3.02Å; G253-T255 PolarHBondContact O-N 3.44Å; G253-I308 PolarHBondContact N-O 3.09Å
254	H	98.6	Very high	97	Very high	8 Å²	8	33.7 Å²	33.7	4%	0.037	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-63.6	129.6	165.9	-70.3	-170.8	0	0	0	109.4	I43 Y198 L251 P252 F256 S307 I308	I43-H254 HydrophobicContact CG2-CB 4.35Å; I43-H254 VanDerWaalsContact CG2-CE1 3.48Å; I43-H254 WeakPolarHBondContact CG2-CE1 3.39Å; Y198-H254 AromaticContact CE2-ND1 4Å; Y198-H254 AromaticContact CZ-ND1 3.87Å; Y198-H254 PolarHBondContact OH-ND1 3.35Å; L251-H254 PolarHBondContact N-ND1 2.83Å; L251-H254 VanDerWaalsContact O-CB 3.31Å; L251-H254 WeakPolarHBondContact O-CB 3.38Å; L251-H254 VanDerWaalsContact O-CG 3.27Å; L251-H254 PolarHBondContact O-N 2.87Å; P252-H254 VanDerWaalsContact C-N 3.34Å; H254-F256 HydrophobicContact CB-CD1 4.25Å; H254-F256 HydrophobicContact CB-CE1 4.38Å; H254-S307 VanDerWaalsContact O-CA 3.32Å; H254-S307 WeakPolarHBondContact O-CA 3.45Å; H254-S307 PolarHBondContact O-OG 3.38Å; H254-I308 HydrophobicContact CB-CG1 4.15Å; H254-I308 PolarHBondContact O-N 2.93Å
255	T	98.7	Very high	97	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.4	175.2	-57.6	0	0	0	0	108.9	G224 I225 G253 T305 I306 S307 L316	G224-T255 WeakPolarHBondContact CA-O 3.48Å; I225-T255 HydrophobicContact CG2-CG2 3.76Å; I225-T255 PolarHBondContact N-O 3.29Å; G253-T255 PolarHBondContact O-N 3.44Å; T255-T305 HydrophobicContact CG2-CG2 3.64Å; T255-I306 VanDerWaalsContact CA-O 3.25Å; T255-I306 WeakPolarHBondContact CA-O 3.45Å; T255-I306 WeakPolarHBondContact CG2-O 3.43Å; T255-S307 PolarHBondContact OG1-OG 3.26Å; T255-L316 HydrophobicContact CG2-CD1 3.81Å
256	F	98.8	Very high	96.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	164.9	-173.4	59.9	-90.7	0	0	0	111.5	Y198 I201 H223 P233 V235 M250 H254 V258 I306 I308	Y198-F256 HydrophobicContact CD1-CE2 4.39Å; Y198-F256 HydrophobicContact CD1-CZ 4.32Å; Y198-F256 AromaticContact CE1-CD1 3.73Å; Y198-F256 HydrophobicContact CE1-CD1 3.73Å; Y198-F256 HydrophobicContact CE1-CD2 4.05Å; Y198-F256 AromaticContact CE1-CE1 3.49Å; Y198-F256 HydrophobicContact CE1-CE1 3.49Å; Y198-F256 VanDerWaalsContact CE1-CE1 3.49Å; Y198-F256 AromaticContact CE1-CE2 3.83Å; Y198-F256 HydrophobicContact CE1-CE2 3.83Å; Y198-F256 AromaticContact CE1-CG 3.99Å; Y198-F256 HydrophobicContact CE1-CG 3.99Å; Y198-F256 AromaticContact CE1-CZ 3.54Å; Y198-F256 HydrophobicContact CE1-CZ 3.54Å; Y198-F256 AromaticContact CZ-CE1 3.81Å; Y198-F256 WeakPolarHBondContact OH-CD1 3.38Å; Y198-F256 WeakPolarHBondContact OH-CE1 3.39Å; I201-F256 HydrophobicContact CD1-CE2 3.84Å; I201-F256 HydrophobicContact CD1-CZ 4.41Å; H223-F256 CarbonylContact O-C 3.5Å; H223-F256 WeakPolarHBondContact O-CA 3.5Å; H223-F256 VanDerWaalsContact O-CB 3.24Å; H223-F256 WeakPolarHBondContact O-CB 3.41Å; P233-F256 HydrophobicContact CG-CB 4.29Å; P233-F256 HydrophobicContact CG-CG 4.49Å; V235-F256 HydrophobicContact CG2-CB 4.31Å; V235-F256 HydrophobicContact CG2-CD2 3.78Å; V235-F256 HydrophobicContact CG2-CE2 4.44Å; V235-F256 HydrophobicContact CG2-CG 4.26Å; M250-F256 HydrophobicContact CE-CZ 4.06Å; M250-F256 HydrophobicContact CG-CE1 4.46Å; M250-F256 HydrophobicContact CG-CZ 4.38Å; M250-F256 HydrophobicContact SD-CZ 3.99Å; H254-F256 HydrophobicContact CB-CD1 4.25Å; H254-F256 HydrophobicContact CB-CE1 4.38Å; F256-V258 HydrophobicContact CD2-CG2 4.17Å; F256-V258 HydrophobicContact CE2-CG2 3.78Å; F256-I306 HydrophobicContact CD2-CG1 4.2Å; F256-I306 HydrophobicContact CE1-CD1 4.44Å; F256-I306 HydrophobicContact CE1-CG1 4.42Å; F256-I306 HydrophobicContact CE2-CD1 3.71Å; F256-I306 HydrophobicContact CE2-CG1 3.88Å; F256-I306 HydrophobicContact CZ-CD1 3.67Å; F256-I306 HydrophobicContact CZ-CG1 4.01Å; F256-I306 PolarHBondContact N-O 3.23Å; F256-I306 PolarHBondContact O-N 2.84Å; F256-I308 HydrophobicContact CE1-CD1 3.8Å; F256-I308 HydrophobicContact CE1-CG1 3.68Å; F256-I308 HydrophobicContact CZ-CD1 3.94Å; F256-I308 HydrophobicContact CZ-CG1 4.34Å
257	T	98.9	Very high	95.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	141	179.2	62.4	0	0	0	0	110.8	D147 G222 H223 E259 E303 H304	D147-T257 HydrophobicContact CB-CG2 4.29Å; G222-T257 WeakPolarHBondContact CA-OG1 3.47Å; H223-T257 PolarHBondContact N-OG1 2.98Å; H223-T257 PolarHBondContact O-N 3.21Å; H223-T257 PolarHBondContact O-OG1 3.36Å; T257-E259 VanDerWaalsContact CB-OE1 3.27Å; T257-E259 WeakPolarHBondContact CB-OE1 3.38Å; T257-E259 PolarHBondContact OG1-OE1 3.02Å; T257-E303 WeakPolarHBondContact CB-OE1 3.48Å; T257-E303 WeakPolarHBondContact CG2-OE1 3.17Å; T257-H304 WeakPolarHBondContact CA-O 3.41Å
258	V	98.9	Very high	93.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	106.5	165	179.6	0	0	0	0	106.1	R185 I189 I201 F256 E303 H304 I306	R185-V258 WeakPolarHBondContact CG-O 3.33Å; I189-V258 HydrophobicContact CG1-CB 3.93Å; I189-V258 HydrophobicContact CG1-CG1 4.05Å; I189-V258 HydrophobicContact CG1-CG2 4.12Å; I201-V258 HydrophobicContact CD1-CG2 4.18Å; I201-V258 HydrophobicContact CG2-CG1 4.15Å; F256-V258 HydrophobicContact CD2-CG2 4.17Å; F256-V258 HydrophobicContact CE2-CG2 3.78Å; V258-E303 VanDerWaalsContact O-CA 3.3Å; V258-E303 WeakPolarHBondContact O-CA 3.23Å; V258-H304 PolarHBondContact N-O 2.85Å; V258-H304 PolarHBondContact O-N 3.5Å; V258-I306 HydrophobicContact CG2-CD1 3.96Å; V258-I306 HydrophobicContact CG2-CG1 4.29Å
259	E	98.8	Very high	91.4	Very high	15 Å²	15	44.1 Å²	44.1	7%	0.07	22%	0.218	C	C	.	.			trans	-141.4	54.3	-162.1	56	173.1	111.9	0	0	113	G222 H223 H237 T257 C261 Q301 E303	G222-E259 VanDerWaalsContact CA-CG 3.5Å; G222-E259 VanDerWaalsContact CA-OE1 3.31Å; G222-E259 WeakPolarHBondContact CA-OE1 3.45Å; H223-E259 IonicContact CD2-OE1 3.99Å; H223-E259 PolarHBondContact CD2-OE1 3.11Å; H223-E259 IonicContact NE2-OE1 3.96Å; H237-E259 VanDerWaalsContact CE1-C 3.42Å; H237-E259 PolarHBondContact CE1-N 2.95Å; H237-E259 PolarHBondContact NE2-N 3.49Å; T257-E259 VanDerWaalsContact CB-OE1 3.27Å; T257-E259 WeakPolarHBondContact CB-OE1 3.38Å; T257-E259 PolarHBondContact OG1-OE1 3.02Å; E259-C261 PolarHBondContact O-N 3.4Å; E259-Q301 PolarHBondContact OE2-NE2 3.34Å; E259-E303 HydrophobicContact CB-CB 3.55Å; E259-E303 HydrophobicContact CB-CG 3.63Å
260	P	98.7	Very high	89.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.231	C	C	.	.			trans	-65.3	129.8	-178.4	29.5	-35.5	0	0	0	111.5	C184 R185 V205 H237 I262	C184-P260 HydrophobicContact CB-CG 4.21Å; R185-P260 HydrophobicContact CB-CG 3.88Å; V205-P260 HydrophobicContact CG1-CB 3.67Å; V205-P260 HydrophobicContact CG1-CG 4.29Å; V205-P260 HydrophobicContact CG2-CB 4.32Å; V205-P260 HydrophobicContact CG2-CG 4.3Å; H237-P260 HydrophobicContact CB-CB 3.9Å; P260-I262 HydrophobicContact CB-CD1 4.19Å
261	C	98.7	Very high	87.4	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.014	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.2	167	-60.8	0	0	0	0	109.6	V116 V217 V220 E259	V116-C261 HydrophobicContact CG1-CB 3.65Å; V217-C261 HydrophobicContact CB-CB 4.01Å; V217-C261 HydrophobicContact CG2-CB 3.95Å; V217-C261 WeakPolarHBondContact CG2-O 3.24Å; V217-C261 PolarHBondContact N-O 3.16Å; V220-C261 HydrophobicContact CG2-CB 4.06Å; E259-C261 PolarHBondContact O-N 3.4Å
262	I	98.6	Very high	85.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134	-177.7	-55.8	-54.2	0	0	0	109.7	L177 V180 A181 C184 V205 A209 C214 R215 V216 P260 T299 A300	L177-I262 HydrophobicContact CD1-CG2 3.99Å; V180-I262 HydrophobicContact CG1-CG2 4.23Å; A181-I262 HydrophobicContact CB-CB 4.09Å; A181-I262 HydrophobicContact CB-CG1 4.08Å; C184-I262 HydrophobicContact CB-CD1 3.77Å; C184-I262 HydrophobicContact CB-CG1 3.81Å; V205-I262 HydrophobicContact CG1-CD1 4.34Å; A209-I262 HydrophobicContact CB-CD1 4.29Å; C214-I262 HydrophobicContact CB-CG2 3.54Å; R215-I262 CarbonylContact O-C 3.31Å; R215-I262 WeakPolarHBondContact O-CA 3.31Å; V216-I262 HydrophobicContact CG2-CD1 4.08Å; P260-I262 HydrophobicContact CB-CD1 4.19Å; I262-T299 CarbonylContact O-C 3.6Å; I262-T299 VanDerWaalsContact O-CA 3.24Å; I262-T299 WeakPolarHBondContact O-CA 3.33Å; I262-A300 PolarHBondContact N-O 3.17Å; I262-A300 PolarHBondContact O-N 3.01Å
263	S	97.6	Very high	84.3	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.8	179.9	-177.4	0	0	0	0	111.3	R215 A297 L298	R215-S263 PolarHBondContact N-O 3.34Å; R215-S263 PolarHBondContact NH2-OG 2.93Å; R215-S263 PolarHBondContact O-N 2.89Å; S263-A297 WeakPolarHBondContact OG-CB 3.32Å; S263-L298 WeakPolarHBondContact CA-O 3.49Å; S263-L298 PolarHBondContact OG-O 2.86Å
264	L	95.2	Very high	82.8	Confident	28 Å²	28	61.5 Å²	61.5	15%	0.147	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-63.3	154.6	165.3	-71.5	178.4	0	0	0	110.8	T173 Y176 L177 R215 A297 L298	T173-L264 HydrophobicContact CG2-CD1 3.55Å; Y176-L264 HydrophobicContact CD1-CD2 4.35Å; Y176-L264 HydrophobicContact CE1-CD2 4.33Å; L177-L264 HydrophobicContact CB-CD2 4.41Å; L177-L264 HydrophobicContact CB-CG 4.49Å; L177-L264 HydrophobicContact CD1-CD2 3.99Å; L177-L264 HydrophobicContact CD1-CG 4.04Å; L177-L264 HydrophobicContact CD2-CD1 4.49Å; L177-L264 HydrophobicContact CD2-CG 4.01Å; L177-L264 HydrophobicContact CG-CG 4.4Å; R215-L264 PolarHBondContact NE-O 3.22Å; R215-L264 PolarHBondContact NH2-O 3.33Å; L264-A297 WeakPolarHBondContact O-CB 3.47Å; L264-L298 HydrophobicContact CD1-CB 4.04Å; L264-L298 HydrophobicContact CD1-CD1 4.09Å; L264-L298 HydrophobicContact CD1-CG 4.5Å; L264-L298 HydrophobicContact CG-CB 4.48Å; L264-L298 PolarHBondContact N-O 2.84Å
265	P	89.8	Confident	81.5	Confident	44 Å²	44	70 Å²	70	29%	0.286	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-64.8	153	167.9	29.6	-33.7	0	0	0	109.8	Q213 N267	Q213-P265 WeakPolarHBondContact O-CD 3.48Å; P265-N267 PolarHBondContact O-N 3.08Å
266	P	79	Confident	80.1	Confident	43 Å²	43	73.9 Å²	73.9	28%	0.279	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-58.4	144.4	171.1	27.2	-34.1	0	0	0	108.7	K268	P266-K268 PolarHBondContact O-N 3.34Å
267	N	67	Low	79.1	Confident	169 Å²	169	78 Å²	78	90%	0.904	39%	0.386	S	S	*	.	S	Bend	trans	-58.1	64.2	-177.3	-96.5	-20.1	0	0	0	113.9	P265	P265-N267 PolarHBondContact O-N 3.08Å
268	K	55.6	Low	78.5	Confident	142 Å²	142	79.2 Å²	79.2	62%	0.617	40%	0.395	S	S	*	.			trans	-106.6	83.9	178.8	-71.2	-171.8	177.9	-179.6	0	108.6	P266 G270 L271	P266-K268 PolarHBondContact O-N 3.34Å; K268-G270 VanDerWaalsContact C-N 3.33Å; K268-G270 PolarHBondContact O-N 3.05Å; K268-L271 HydrophobicContact CB-CD1 4.45Å; K268-L271 PolarHBondContact O-N 2.87Å
269	F	54.2	Low	78.3	Confident	206 Å²	206	82.9 Å²	82.9	90%	0.904	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	28.8	56.6	156.2	-67.5	-81.9	0	0	0	116.5	L271	F269-L271 PolarHBondContact O-N 3.2Å
270	G	56.2	Low	78.1	Confident	78 Å²	78	82.2 Å²	82.2	80%	0.804	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	14.2	173.7	0	0	0	0	0	115.9	K268 K272	K268-G270 VanDerWaalsContact C-N 3.33Å; K268-G270 PolarHBondContact O-N 3.05Å; G270-K272 PolarHBondContact O-N 3.18Å
271	L	57.2	Low	77.9	Confident	133 Å²	133	85.3 Å²	85.3	70%	0.696	43%	0.427	S	S	*	.			trans	-69.4	101.2	174.7	-91.6	139.4	0	0	0	109.5	K268 F269 F273	K268-L271 HydrophobicContact CB-CD1 4.45Å; K268-L271 PolarHBondContact O-N 2.87Å; F269-L271 PolarHBondContact O-N 3.2Å; L271-F273 PolarHBondContact O-N 2.87Å
272	K	62.6	Low	77.9	Confident	173 Å²	173	86.3 Å²	86.3	75%	0.752	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-64.1	122	164.2	-66.9	-173.7	-179	179.9	0	108.4	G270	G270-K272 PolarHBondContact O-N 3.18Å
273	F	68.7	Low	77.8	Confident	39 Å²	39	89.6 Å²	89.6	17%	0.171	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-82	158.6	175.1	64.5	-90.1	0	0	0	110.5	D210 Q213 C214 R215 L271	D210-F273 WeakPolarHBondContact OD1-CE2 3.32Å; Q213-F273 HydrophobicContact CB-CE1 4.46Å; C214-F273 WeakPolarHBondContact O-CZ 3.48Å; R215-F273 HydrophobicContact CG-CE1 4.36Å; R215-F273 HydrophobicContact CG-CZ 4.32Å; L271-F273 PolarHBondContact O-N 2.87Å
274	R	66.2	Low	77.9	Confident	206 Å²	206	94.9 Å²	94.9	78%	0.777	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-71.6	140.7	176.4	-79.5	-177.5	161.2	-172.2	-4.8	109.6	N276 T277	R274-N276 PolarHBondContact O-N 3.11Å; R274-T277 HydrophobicContact CB-CG2 3.7Å; R274-T277 PolarHBondContact O-N 2.95Å; R274-T277 PolarHBondContact O-OG1 3.31Å
275	R	71.7	Confident	78	Confident	187 Å²	187	97.2 Å²	97.2	71%	0.706	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	142.4	174.7	-65.7	-170.5	178.5	122.3	-1.3	111	D210 T277	D210-R275 HydrophobicContact CB-CG 4.29Å; D210-R275 VanDerWaalsContact OD2-CA 3.32Å; D210-R275 WeakPolarHBondContact OD2-CA 3.28Å; D210-R275 WeakPolarHBondContact OD2-CB 3.44Å; R275-T277 PolarHBondContact O-N 2.71Å
276	N	70.2	Confident	78.3	Confident	87 Å²	87	105 Å²	105	47%	0.465	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	21.2	178.7	-59.5	-24.4	0	0	0	114.3	D210 I239 H240 R274	D210-N276 PolarHBondContact OD2-N 2.78Å; D210-N276 PolarHBondContact OD2-OD1 3.32Å; D210-N276 VanDerWaalsContact OD2-OD1 3.09Å; I239-N276 HydrophobicContact CD1-CB 3.58Å; I239-N276 VanDerWaalsContact CD1-CG 3.41Å; I239-N276 VanDerWaalsContact CD1-OD1 3.31Å; I239-N276 WeakPolarHBondContact CD1-OD1 3.25Å; H240-N276 PolarHBondContact CE1-O 3.38Å; H240-N276 VanDerWaalsContact CE1-O 3.25Å; R274-N276 PolarHBondContact O-N 3.11Å
277	T	77.5	Confident	79.2	Confident	85 Å²	85	106.5 Å²	106.5	52%	0.521	53%	0.531	S	S	.	.	S	Bend	trans	-116.5	-0.2	179.6	76.7	0	0	0	0	114.4	R274 R275	R274-T277 HydrophobicContact CB-CG2 3.7Å; R274-T277 PolarHBondContact O-N 2.95Å; R274-T277 PolarHBondContact O-OG1 3.31Å; R275-T277 PolarHBondContact O-N 2.71Å
278	S	86	Confident	80.7	Confident	27 Å²	27	100.9 Å²	100.9	19%	0.189	51%	0.513	C	S	.	.			trans	-136.3	131.1	-173.9	-157	0	0	0	0	112.3	R215	R215-S278 WeakPolarHBondContact CD-OG 3.04Å
279	F	94.1	Very high	82.7	Confident	77 Å²	77	97.3 Å²	97.3	34%	0.338	50%	0.495	S	S	.	.			trans	-137.4	161.8	171.3	54.5	-87.4	0	0	0	108.8	V216 V218 H240 V281	V216-F279 WeakPolarHBondContact O-CA 3.49Å; V218-F279 HydrophobicContact CB-CD2 4.4Å; V218-F279 HydrophobicContact CG1-CB 3.79Å; V218-F279 HydrophobicContact CG1-CD2 3.77Å; V218-F279 HydrophobicContact CG1-CG 3.92Å; V218-F279 HydrophobicContact CG2-CD2 3.69Å; V218-F279 HydrophobicContact CG2-CE2 4.12Å; H240-F279 HydrophobicContact CB-CD1 4.12Å; H240-F279 HydrophobicContact CB-CE1 4.38Å; H240-F279 AromaticContact CD2-CD1 3.39Å; H240-F279 WeakPolarHBondContact CD2-CD1 3.24Å; H240-F279 AromaticContact CD2-CG 3.96Å; H240-F279 AromaticContact CE1-CD1 3.92Å; H240-F279 AromaticContact CG-CD1 3.51Å; H240-F279 AromaticContact CG-CE1 3.95Å; H240-F279 AromaticContact ND1-CD1 3.84Å; H240-F279 AromaticContact ND1-CE1 3.97Å; H240-F279 AromaticContact NE2-CD1 3.66Å; F279-V281 HydrophobicContact CD2-CG2 4.08Å; F279-V281 HydrophobicContact CE2-CG2 3.78Å
280	A	94.8	Very high	84.8	Confident	0 Å²	0	88 Å²	88	0%	0	46%	0.455	C	S	.	.	B	Isolated β-bridge	trans	-98.4	135.2	174.1	0	0	0	0	0	109.6	R215 V216 V217 V218 T293	R215-A280 HydrophobicContact CB-CB 4.33Å; V216-A280 PolarHBondContact O-N 3.24Å; V217-A280 WeakPolarHBondContact CA-O 3.25Å; V217-A280 HydrophobicContact CB-CB 4.42Å; V217-A280 HydrophobicContact CG2-CB 3.96Å; V218-A280 PolarHBondContact N-O 2.86Å; V218-A280 VanDerWaalsContact N-O 3.12Å; A280-T293 HydrophobicContact CB-CG2 4.2Å
281	V	96.1	Very high	86.8	Confident	65 Å²	65	84.6 Å²	84.6	39%	0.394	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-96	122.5	-179.3	176.2	0	0	0	0	108.8	F279 S294	F279-V281 HydrophobicContact CD2-CG2 4.08Å; F279-V281 HydrophobicContact CE2-CG2 3.78Å; V281-S294 WeakPolarHBondContact O-CB 3.03Å; V281-S294 PolarHBondContact O-N 3.39Å; V281-S294 PolarHBondContact O-OG 3.01Å
282	P	97.2	Very high	88.8	Confident	24 Å²	24	79.1 Å²	79.1	16%	0.156	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	159.6	176.5	34.8	-37.9	0	0	0	112.6	V217 V218 D219 V291 V292	V217-P282 HydrophobicContact CG1-CB 4.03Å; V217-P282 HydrophobicContact CG1-CG 4.33Å; V218-P282 VanDerWaalsContact O-CD 3.3Å; V218-P282 WeakPolarHBondContact O-CD 3.45Å; V218-P282 WeakPolarHBondContact O-CG 3.34Å; D219-P282 HydrophobicContact CB-CG 3.96Å; P282-V291 HydrophobicContact CB-CG1 3.49Å; P282-V291 VanDerWaalsContact CB-CG1 3.49Å; P282-V292 CarbonylContact C-O 3.42Å; P282-V292 VanDerWaalsContact CA-O 3.27Å; P282-V292 WeakPolarHBondContact CA-O 3.36Å
283	V	97.9	Very high	90.3	Very high	68 Å²	68	70.9 Å²	70.9	41%	0.412	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	133.2	171.4	-179.9	0	0	0	0	108.1	V291 V292	V283-V291 WeakPolarHBondContact O-CA 3.37Å; V283-V292 HydrophobicContact CB-CG2 4.28Å; V283-V292 PolarHBondContact N-O 2.92Å; V283-V292 PolarHBondContact O-N 3.26Å
284	I	98	Very high	91.6	Very high	112 Å²	112	72.2 Å²	72.2	57%	0.574	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.6	173.9	-54.8	175.4	0	0	0	108.4	V291	I284-V291 HydrophobicContact CG1-CG2 4.35Å
285	L	97.8	Very high	92.9	Very high	76 Å²	76	65.1 Å²	65.1	40%	0.398	35%	0.347	S	S	.	.			trans	-77.1	171.4	178.1	-60.3	-171	0	0	0	112.5	D287 G288 T290 V292	L285-D287 PolarHBondContact O-N 3.45Å; L285-D287 VanDerWaalsContact O-N 3.14Å; L285-G288 PolarHBondContact O-N 3.32Å; L285-T290 HydrophobicContact CD1-CG2 3.67Å; L285-T290 HydrophobicContact CG-CG2 4.2Å; L285-T290 PolarHBondContact N-O 3.29Å; L285-V292 HydrophobicContact CD1-CG1 3.99Å; L285-V292 HydrophobicContact CD2-CG1 4.31Å; L285-V292 HydrophobicContact CD2-CG2 3.7Å; L285-V292 HydrophobicContact CG-CG1 4.17Å; L285-V292 HydrophobicContact CG-CG2 4.3Å
286	E	97.3	Very high	93.9	Very high	208 Å²	208	63.6 Å²	63.6	97%	0.972	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.7	-176.9	-63.8	179.1	-177.9	0	0	114	G288	E286-G288 PolarHBondContact O-N 3.04Å
287	D	97.2	Very high	95.1	Very high	74 Å²	74	60 Å²	60	40%	0.396	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.3	173.3	65.9	22.4	0	0	0	113.4	I120 L285 W289 T290	I120-D287 HydrophobicContact CD1-CB 4.22Å; L285-D287 PolarHBondContact O-N 3.45Å; L285-D287 VanDerWaalsContact O-N 3.14Å; D287-W289 VanDerWaalsContact C-N 3.28Å; D287-W289 PolarHBondContact O-N 2.97Å; D287-W289 PolarHBondContact OD1-N 3.29Å; D287-T290 PolarHBondContact OD1-N 3.09Å; D287-T290 PolarHBondContact OD1-OG1 3.49Å; D287-T290 VanDerWaalsContact OD2-CB 3.27Å; D287-T290 WeakPolarHBondContact OD2-CB 3.41Å; D287-T290 PolarHBondContact OD2-OG1 3.1Å
288	G	97.4	Very high	96	Very high	51 Å²	51	58.4 Å²	58.4	53%	0.526	32%	0.316	S	S	.	.	S	Bend	trans	79.8	1	177.3	0	0	0	0	0	115.1	L285 E286	L285-G288 PolarHBondContact O-N 3.32Å; E286-G288 PolarHBondContact O-N 3.04Å
289	W	98.2	Very high	96.6	Very high	67 Å²	67	57.1 Å²	57.1	25%	0.254	31%	0.307	S	S	.	.	S	Bend	trans	-127	-53.2	-175.2	-73.1	98.4	0	0	0	112.7	Y101 K102 F104 H118 I120 D287 V291	Y101-W289 WeakPolarHBondContact O-CH2 3.33Å; K102-W289 HydrophobicContact CB-CH2 4.02Å; K102-W289 HydrophobicContact CB-CZ2 4.46Å; K102-W289 WeakPolarHBondContact O-CZ2 3.45Å; F104-W289 HydrophobicContact CB-CD2 4.42Å; F104-W289 HydrophobicContact CB-CE3 4.45Å; F104-W289 HydrophobicContact CB-CH2 3.7Å; F104-W289 HydrophobicContact CB-CZ2 3.67Å; F104-W289 HydrophobicContact CB-CZ3 4.11Å; F104-W289 HydrophobicContact CD2-CB 4.44Å; F104-W289 AromaticContact CD2-CD2 3.56Å; F104-W289 HydrophobicContact CD2-CD2 3.56Å; F104-W289 AromaticContact CD2-CE2 3.96Å; F104-W289 AromaticContact CD2-CE3 3.62Å; F104-W289 HydrophobicContact CD2-CE3 3.62Å; F104-W289 AromaticContact CD2-CG 3.93Å; F104-W289 HydrophobicContact CD2-CG 3.93Å; F104-W289 HydrophobicContact CD2-CH2 4.4Å; F104-W289 HydrophobicContact CD2-CZ2 4.38Å; F104-W289 HydrophobicContact CD2-CZ3 4.04Å; F104-W289 HydrophobicContact CE2-CB 4.46Å; F104-W289 HydrophobicContact CE2-CD2 4.37Å; F104-W289 HydrophobicContact CE2-CE3 4.38Å; F104-W289 HydrophobicContact CE2-CG 4.4Å; F104-W289 HydrophobicContact CG-CD2 4.48Å; F104-W289 HydrophobicContact CG-CE3 4.48Å; F104-W289 VanDerWaalsContact N-CZ2 3.29Å; H118-W289 VanDerWaalsContact CB-O 3.29Å; H118-W289 WeakPolarHBondContact CB-O 3.28Å; I120-W289 HydrophobicContact CD1-CB 3.8Å; I120-W289 HydrophobicContact CD1-CG 4.05Å; I120-W289 HydrophobicContact CG1-CB 4.1Å; D287-W289 VanDerWaalsContact C-N 3.28Å; D287-W289 PolarHBondContact O-N 2.97Å; D287-W289 PolarHBondContact OD1-N 3.29Å; W289-V291 WeakPolarHBondContact O-CG2 3.43Å; W289-V291 PolarHBondContact O-N 3.02Å
290	T	98.5	Very high	96.8	Very high	10 Å²	10	53.5 Å²	53.5	6%	0.061	29%	0.292	C	S	.	.			trans	-63.7	121.4	-169.9	-59.8	0	0	0	0	110	V115 L285 D287 V292	V115-T290 HydrophobicContact CG1-CG2 3.67Å; V115-T290 HydrophobicContact CG2-CG2 4.05Å; L285-T290 HydrophobicContact CD1-CG2 3.67Å; L285-T290 HydrophobicContact CG-CG2 4.2Å; L285-T290 PolarHBondContact N-O 3.29Å; D287-T290 PolarHBondContact OD1-N 3.09Å; D287-T290 PolarHBondContact OD1-OG1 3.49Å; D287-T290 VanDerWaalsContact OD2-CB 3.27Å; D287-T290 WeakPolarHBondContact OD2-CB 3.41Å; D287-T290 PolarHBondContact OD2-OG1 3.1Å; T290-V292 HydrophobicContact CG2-CG1 4.24Å
291	V	98.5	Very high	97	Very high	8 Å²	8	53.6 Å²	53.6	5%	0.048	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.7	178	-172.1	0	0	0	0	109	V115 V116 C117 V220 P282 V283 I284 W289	V115-V291 CarbonylContact C-O 3.51Å; V115-V291 WeakPolarHBondContact CA-O 3.46Å; V115-V291 WeakPolarHBondContact CG1-O 3.26Å; V116-V291 HydrophobicContact CB-CB 4.25Å; V116-V291 HydrophobicContact CB-CG1 4.07Å; V116-V291 WeakPolarHBondContact CB-O 3.25Å; V116-V291 HydrophobicContact CG1-CG1 4.44Å; V116-V291 HydrophobicContact CG2-CG1 4.4Å; V116-V291 PolarHBondContact N-O 3.47Å; C117-V291 PolarHBondContact O-N 3.38Å; C117-V291 VanDerWaalsContact O-N 3.11Å; V220-V291 HydrophobicContact CG1-CG1 4.28Å; P282-V291 HydrophobicContact CB-CG1 3.49Å; P282-V291 VanDerWaalsContact CB-CG1 3.49Å; V283-V291 WeakPolarHBondContact O-CA 3.37Å; I284-V291 HydrophobicContact CG1-CG2 4.35Å; W289-V291 WeakPolarHBondContact O-CG2 3.43Å; W289-V291 PolarHBondContact O-N 3.02Å
292	V	98	Very high	97.1	Very high	17 Å²	17	50.6 Å²	50.6	10%	0.103	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	159.4	176.5	-60.9	0	0	0	0	110.8	E114 V115 P282 V283 L285 T290	E114-V292 HydrophobicContact CG-CG1 4.43Å; E114-V292 WeakPolarHBondContact O-CA 3.41Å; V115-V292 HydrophobicContact CG2-CG1 4.05Å; P282-V292 CarbonylContact C-O 3.42Å; P282-V292 VanDerWaalsContact CA-O 3.27Å; P282-V292 WeakPolarHBondContact CA-O 3.36Å; V283-V292 HydrophobicContact CB-CG2 4.28Å; V283-V292 PolarHBondContact N-O 2.92Å; V283-V292 PolarHBondContact O-N 3.26Å; L285-V292 HydrophobicContact CD1-CG1 3.99Å; L285-V292 HydrophobicContact CD2-CG1 4.31Å; L285-V292 HydrophobicContact CD2-CG2 3.7Å; L285-V292 HydrophobicContact CG-CG1 4.17Å; L285-V292 HydrophobicContact CG-CG2 4.3Å; T290-V292 HydrophobicContact CG2-CG1 4.24Å
293	T	94.7	Very high	97.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	139.6	166.9	55.4	0	0	0	0	110.7	E114 V116 V217 A280 D295 K296 A297 T299	E114-T293 PolarHBondContact O-N 3.06Å; V116-T293 HydrophobicContact CG2-CG2 3.71Å; V217-T293 HydrophobicContact CG2-CG2 4.3Å; A280-T293 HydrophobicContact CB-CG2 4.2Å; T293-D295 WeakPolarHBondContact CB-OD1 3.22Å; T293-D295 PolarHBondContact O-N 3.07Å; T293-D295 PolarHBondContact OG1-OD1 2.9Å; T293-K296 PolarHBondContact O-N 3.29Å; T293-K296 VanDerWaalsContact OG1-CA 3.3Å; T293-K296 WeakPolarHBondContact OG1-CA 3.41Å; T293-K296 PolarHBondContact OG1-N 3.26Å; T293-A297 PolarHBondContact OG1-N 2.82Å; T293-A297 PolarHBondContact OG1-O 3.09Å; T293-A297 VanDerWaalsContact OG1-O 3.08Å; T293-T299 HydrophobicContact CG2-CG2 3.53Å
294	S	95.4	Very high	97.2	Very high	68 Å²	68	47.5 Å²	47.5	48%	0.476	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.9	176.8	52	0	0	0	0	113.7	V281	V281-S294 WeakPolarHBondContact O-CB 3.03Å; V281-S294 PolarHBondContact O-N 3.39Å; V281-S294 PolarHBondContact O-OG 3.01Å
295	D	93.8	Very high	97.3	Very high	56 Å²	56	42.2 Å²	42.2	30%	0.299	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	4	176.9	60.4	9.4	0	0	0	114	R215 T293 A297	R215-D295 IonicContact CZ-OD2 3.4Å; R215-D295 IonicContact NH1-OD2 3.73Å; R215-D295 PolarHBondContact NH1-OD2 2.83Å; R215-D295 IonicContact NH2-OD1 3.81Å; R215-D295 PolarHBondContact NH2-OD1 3.39Å; R215-D295 IonicContact NH2-OD2 3.67Å; R215-D295 PolarHBondContact NH2-OD2 3.42Å; T293-D295 WeakPolarHBondContact CB-OD1 3.22Å; T293-D295 PolarHBondContact O-N 3.07Å; T293-D295 PolarHBondContact OG1-OD1 2.9Å; D295-A297 PolarHBondContact O-N 3.21Å; D295-A297 WeakPolarHBondContact OD1-CB 3.41Å; D295-A297 PolarHBondContact OD1-N 2.76Å
296	K	94	Very high	97.3	Very high	155 Å²	155	38.6 Å²	38.6	67%	0.674	21%	0.207	S	C	*	.			trans	55.9	25.3	-179.4	-53.1	-175.6	177.7	-172.5	0	114	E114 T293	E114-K296 HydrophobicContact CB-CB 4.27Å; E114-K296 HydrophobicContact CG-CB 4.34Å; T293-K296 PolarHBondContact O-N 3.29Å; T293-K296 VanDerWaalsContact OG1-CA 3.3Å; T293-K296 WeakPolarHBondContact OG1-CA 3.41Å; T293-K296 PolarHBondContact OG1-N 3.26Å
297	A	95	Very high	97.4	Very high	12 Å²	12	28.8 Å²	28.8	10%	0.099	16%	0.161	C	C	.	.			trans	-67.4	146.2	172.8	0	0	0	0	0	110.3	S263 L264 T293 D295	S263-A297 WeakPolarHBondContact OG-CB 3.32Å; L264-A297 WeakPolarHBondContact O-CB 3.47Å; T293-A297 PolarHBondContact OG1-N 2.82Å; T293-A297 PolarHBondContact OG1-O 3.09Å; T293-A297 VanDerWaalsContact OG1-O 3.08Å; D295-A297 PolarHBondContact O-N 3.21Å; D295-A297 WeakPolarHBondContact OD1-CB 3.41Å; D295-A297 PolarHBondContact OD1-N 2.76Å
298	L	96.6	Very high	97.5	Very high	51 Å²	51	25.4 Å²	25.4	27%	0.267	14%	0.143	S	C	.	.			trans	-54.8	143.4	174.6	-66.8	176.4	0	0	0	110.8	N113 I132 T173 L177 S263 L264	N113-L298 HydrophobicContact CB-CD2 3.71Å; I132-L298 HydrophobicContact CD1-CB 4.33Å; I132-L298 HydrophobicContact CD1-CD1 4.42Å; T173-L298 HydrophobicContact CG2-CD1 4.14Å; L177-L298 HydrophobicContact CD2-CB 3.8Å; L177-L298 WeakPolarHBondContact CD2-O 3.44Å; S263-L298 WeakPolarHBondContact CA-O 3.49Å; S263-L298 PolarHBondContact OG-O 2.86Å; L264-L298 HydrophobicContact CD1-CB 4.04Å; L264-L298 HydrophobicContact CD1-CD1 4.09Å; L264-L298 HydrophobicContact CD1-CG 4.5Å; L264-L298 HydrophobicContact CG-CB 4.48Å; L264-L298 PolarHBondContact N-O 2.84Å
299	T	98.3	Very high	97.5	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.7	178.6	44.3	0	0	0	0	111.4	N113 V115 V116 V217 I262 T293	N113-T299 PolarHBondContact O-N 3.2Å; N113-T299 PolarHBondContact O-OG1 3.17Å; V115-T299 VanDerWaalsContact C-OG1 3.24Å; V115-T299 PolarHBondContact O-OG1 3Å; V116-T299 HydrophobicContact CG2-CG2 3.98Å; V217-T299 HydrophobicContact CG2-CG2 4.27Å; I262-T299 CarbonylContact O-C 3.6Å; I262-T299 VanDerWaalsContact O-CA 3.24Å; I262-T299 WeakPolarHBondContact O-CA 3.33Å; T293-T299 HydrophobicContact CG2-CG2 3.53Å
300	A	98.6	Very high	97.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	143.8	167.2	0	0	0	0	0	109.2	I132 L177 A181 I262	I132-A300 HydrophobicContact CG2-CB 4.24Å; L177-A300 HydrophobicContact CD2-CB 4.18Å; L177-A300 HydrophobicContact CG-CB 3.87Å; A181-A300 HydrophobicContact CB-CB 3.8Å; I262-A300 PolarHBondContact N-O 3.17Å; I262-A300 PolarHBondContact O-N 3.01Å
301	Q	98.7	Very high	97.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137	177.7	-173.3	-170.7	15.3	0	0	109.6	C149 S151 E259	C149-Q301 HydrophobicContact CB-CG 4.27Å; C149-Q301 PolarHBondContact SG-OE1 2.94Å; S151-Q301 PolarHBondContact N-O 3.27Å; S151-Q301 PolarHBondContact OG-N 2.93Å; S151-Q301 PolarHBondContact OG-O 3.46Å; E259-Q301 PolarHBondContact OE2-NE2 3.34Å
302	F	98.8	Very high	97.3	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.009	20%	0.197	C	C	.	.			trans	-132.4	143	166.6	-78.1	-96.8	0	0	0	107.9	C149 H150 S151 C178 A181 Q182 R185	C149-F302 WeakPolarHBondContact O-CA 3.44Å; H150-F302 AromaticContact CD2-CE1 3.54Å; H150-F302 AromaticContact CE1-CE1 3.63Å; H150-F302 AromaticContact CG-CE1 3.69Å; H150-F302 AromaticContact ND1-CE1 3.74Å; H150-F302 AromaticContact NE2-CE1 3.48Å; H150-F302 WeakPolarHBondContact NE2-CE1 3.04Å; S151-F302 VanDerWaalsContact O-CZ 3.3Å; S151-F302 WeakPolarHBondContact O-CZ 3.4Å; C178-F302 HydrophobicContact CB-CE2 3.99Å; C178-F302 HydrophobicContact CB-CZ 4.3Å; C178-F302 WeakPolarHBondContact O-CE2 3.49Å; A181-F302 HydrophobicContact CB-CD2 3.74Å; A181-F302 HydrophobicContact CB-CE2 4.26Å; Q182-F302 HydrophobicContact CB-CD2 4.47Å; Q182-F302 HydrophobicContact CB-CG 4.44Å; Q182-F302 HydrophobicContact CG-CB 4.32Å; Q182-F302 HydrophobicContact CG-CD1 3.41Å; Q182-F302 VanDerWaalsContact CG-CD1 3.41Å; Q182-F302 HydrophobicContact CG-CD2 3.54Å; Q182-F302 HydrophobicContact CG-CE1 3.4Å; Q182-F302 VanDerWaalsContact CG-CE1 3.4Å; Q182-F302 HydrophobicContact CG-CE2 3.56Å; Q182-F302 HydrophobicContact CG-CG 3.47Å; Q182-F302 VanDerWaalsContact CG-CG 3.47Å; Q182-F302 HydrophobicContact CG-CZ 3.5Å; R185-F302 HydrophobicContact CB-CB 4.18Å; R185-F302 HydrophobicContact CG-CB 4.31Å; R185-F302 VanDerWaalsContact CG-O 3.25Å; R185-F302 WeakPolarHBondContact CG-O 3.29Å
303	E	98.8	Very high	97.3	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.014	20%	0.204	C	C	.	.			trans	-139.5	147.8	-176.3	166	-174	173	0	0	111.1	C149 R185 T257 V258 E259	C149-E303 HydrophobicContact CB-CB 3.87Å; C149-E303 PolarHBondContact N-OE2 3.47Å; C149-E303 PolarHBondContact O-N 3.47Å; R185-E303 PolarHBondContact NH1-O 2.56Å; T257-E303 WeakPolarHBondContact CB-OE1 3.48Å; T257-E303 WeakPolarHBondContact CG2-OE1 3.17Å; V258-E303 VanDerWaalsContact O-CA 3.3Å; V258-E303 WeakPolarHBondContact O-CA 3.23Å; E259-E303 HydrophobicContact CB-CB 3.55Å; E259-E303 HydrophobicContact CB-CG 3.63Å
304	H	98.8	Very high	97.5	Very high	25 Å²	25	42.2 Å²	42.2	12%	0.116	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143.6	155.3	-78.4	-58.6	0	0	0	110.1	R185 I189 T257 V258 I306 I315 T317	R185-H304 VanDerWaalsContact CZ-NE2 3.34Å; R185-H304 PolarHBondContact NH1-CD2 3.04Å; R185-H304 PolarHBondContact NH1-NE2 3.48Å; R185-H304 PolarHBondContact NH2-NE2 3.09Å; I189-H304 HydrophobicContact CD1-CB 3.87Å; T257-H304 WeakPolarHBondContact CA-O 3.41Å; V258-H304 PolarHBondContact N-O 2.85Å; V258-H304 PolarHBondContact O-N 3.5Å; H304-I306 HydrophobicContact CB-CG2 4.18Å; H304-I315 HydrophobicContact CB-CG2 3.92Å; H304-I315 WeakPolarHBondContact ND1-CG2 3.34Å; H304-T317 WeakPolarHBondContact CA-OG1 3.49Å; H304-T317 PolarHBondContact CE1-O 3.36Å; H304-T317 VanDerWaalsContact CE1-O 3.24Å; H304-T317 PolarHBondContact ND1-O 3.19Å; H304-T317 PolarHBondContact ND1-OG1 2.95Å
305	T	98.8	Very high	97.7	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	128.2	155.3	-66.7	0	0	0	0	108.7	D147 I225 T255 L316 T317	D147-T305 PolarHBondContact N-OG1 2.99Å; D147-T305 PolarHBondContact O-N 3.17Å; D147-T305 PolarHBondContact O-OG1 3.49Å; I225-T305 HydrophobicContact CG2-CG2 3.59Å; T255-T305 HydrophobicContact CG2-CG2 3.64Å; T305-L316 HydrophobicContact CG2-CB 4.26Å; T305-L316 HydrophobicContact CG2-CD1 4.11Å; T305-L316 HydrophobicContact CG2-CG 4.48Å; T305-L316 PolarHBondContact O-N 3.29Å; T305-T317 PolarHBondContact N-OG1 3.32Å
306	I	98.7	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	157.3	176.4	68	164.9	0	0	0	111.4	I189 C192 T255 F256 V258 H304 I308 C313 I314 I315	I189-I306 HydrophobicContact CD1-CG2 3.9Å; I189-I306 HydrophobicContact CG1-CG2 4.14Å; I189-I306 HydrophobicContact CG2-CG2 4.43Å; C192-I306 HydrophobicContact CB-CD1 3.63Å; C192-I306 VanDerWaalsContact SG-CD1 3.58Å; T255-I306 VanDerWaalsContact CA-O 3.25Å; T255-I306 WeakPolarHBondContact CA-O 3.45Å; T255-I306 WeakPolarHBondContact CG2-O 3.43Å; F256-I306 HydrophobicContact CD2-CG1 4.2Å; F256-I306 HydrophobicContact CE1-CD1 4.44Å; F256-I306 HydrophobicContact CE1-CG1 4.42Å; F256-I306 HydrophobicContact CE2-CD1 3.71Å; F256-I306 HydrophobicContact CE2-CG1 3.88Å; F256-I306 HydrophobicContact CZ-CD1 3.67Å; F256-I306 HydrophobicContact CZ-CG1 4.01Å; F256-I306 PolarHBondContact N-O 3.23Å; F256-I306 PolarHBondContact O-N 2.84Å; V258-I306 HydrophobicContact CG2-CD1 3.96Å; V258-I306 HydrophobicContact CG2-CG1 4.29Å; H304-I306 HydrophobicContact CB-CG2 4.18Å; I306-I308 HydrophobicContact CD1-CD1 4.46Å; I306-C313 HydrophobicContact CD1-CB 4.2Å; I306-I314 CarbonylContact C-O 3.54Å; I306-I314 VanDerWaalsContact CA-O 3.28Å; I306-I314 WeakPolarHBondContact CA-O 3.36Å; I306-I314 WeakPolarHBondContact CB-O 3.46Å; I306-I315 HydrophobicContact CG2-CG1 4Å
307	S	98.7	Very high	98	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.6	169.8	-170.2	0	0	0	0	111.4	H254 T255 C313 I314	H254-S307 VanDerWaalsContact O-CA 3.32Å; H254-S307 WeakPolarHBondContact O-CA 3.45Å; H254-S307 PolarHBondContact O-OG 3.38Å; T255-S307 PolarHBondContact OG1-OG 3.26Å; S307-C313 CarbonylContact O-C 3.51Å; S307-C313 VanDerWaalsContact O-CA 3.24Å; S307-C313 WeakPolarHBondContact O-CA 3.47Å; S307-I314 PolarHBondContact N-O 2.98Å; S307-I314 PolarHBondContact O-N 3.21Å
308	I	98.8	Very high	98.2	Very high	3 Å²	3	35 Å²	35	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	134.2	178.1	-53.7	-60.6	0	0	0	109.2	C192 P194 M250 L251 P252 G253 H254 F256 I306 C313	C192-I308 HydrophobicContact CB-CD1 4.1Å; P194-I308 HydrophobicContact CB-CG2 4.44Å; M250-I308 HydrophobicContact CB-CD1 4.27Å; M250-I308 HydrophobicContact CB-CG1 4.08Å; M250-I308 HydrophobicContact CB-CG2 4.45Å; M250-I308 HydrophobicContact CG-CD1 4.37Å; M250-I308 HydrophobicContact CG-CG1 4.48Å; M250-I308 HydrophobicContact SD-CD1 3.75Å; M250-I308 HydrophobicContact SD-CG1 4.48Å; L251-I308 WeakPolarHBondContact O-CB 3.23Å; P252-I308 CarbonylContact C-O 3.57Å; P252-I308 WeakPolarHBondContact CA-O 3.28Å; G253-I308 PolarHBondContact N-O 3.09Å; H254-I308 HydrophobicContact CB-CG1 4.15Å; H254-I308 PolarHBondContact O-N 2.93Å; F256-I308 HydrophobicContact CE1-CD1 3.8Å; F256-I308 HydrophobicContact CE1-CG1 3.68Å; F256-I308 HydrophobicContact CZ-CD1 3.94Å; F256-I308 HydrophobicContact CZ-CG1 4.34Å; I306-I308 HydrophobicContact CD1-CD1 4.46Å; I308-C313 HydrophobicContact CD1-CB 3.91Å
309	T	98.2	Very high	98.3	Very high	42 Å²	42	34.1 Å²	34.1	26%	0.258	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	174	176.7	73.4	0	0	0	0	110	P194 K311 G312 I314	P194-T309 WeakPolarHBondContact CD-O 3.36Å; P194-T309 WeakPolarHBondContact CG-O 3.45Å; T309-K311 PolarHBondContact O-N 2.86Å; T309-K311 VanDerWaalsContact O-N 3.09Å; T309-K311 PolarHBondContact OG1-N 2.9Å; T309-G312 PolarHBondContact N-O 2.91Å; T309-G312 PolarHBondContact OG1-N 2.88Å; T309-G312 PolarHBondContact OG1-O 3.25Å; T309-I314 HydrophobicContact CG2-CD1 4.3Å; T309-I314 HydrophobicContact CG2-CG1 3.99Å; T309-I314 HydrophobicContact CG2-CG2 3.96Å
310	N	97.5	Very high	98.3	Very high	137 Å²	137	35.9 Å²	35.9	73%	0.733	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-12	173.6	-67.2	-41.9	0	0	0	114.1	P252	P252-N310 WeakPolarHBondContact CG-OD1 3.35Å
311	K	95.9	Very high	98.2	Very high	204 Å²	204	38 Å²	38	89%	0.887	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-0.4	-174.2	-62.5	-176.2	-179.4	180	0	114.3	T309	T309-K311 PolarHBondContact O-N 2.86Å; T309-K311 VanDerWaalsContact O-N 3.09Å; T309-K311 PolarHBondContact OG1-N 2.9Å
312	G	97.8	Very high	98.2	Very high	16 Å²	16	40.3 Å²	40.3	17%	0.165	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.2	-137.1	-172.4	0	0	0	0	0	110.6	T309	T309-G312 PolarHBondContact N-O 2.91Å; T309-G312 PolarHBondContact OG1-N 2.88Å; T309-G312 PolarHBondContact OG1-O 3.25Å
313	C	98.4	Very high	98.2	Very high	36 Å²	36	42.9 Å²	42.9	24%	0.243	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	162.9	170.9	63.2	0	0	0	0	111.1	C192 I306 S307 I308	C192-C313 HydrophobicContact CB-CB 4.12Å; C192-C313 PolarHBondContact O-SG 3.34Å; I306-C313 HydrophobicContact CD1-CB 4.2Å; S307-C313 CarbonylContact O-C 3.51Å; S307-C313 VanDerWaalsContact O-CA 3.24Å; S307-C313 WeakPolarHBondContact O-CA 3.47Å; I308-C313 HydrophobicContact CD1-CB 3.91Å
314	I	98.2	Very high	98.1	Very high	71 Å²	71	45.7 Å²	45.7	36%	0.364	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.8	169.4	56.1	171.2	0	0	0	109.1	I51 I306 S307 T309 L316	I51-I314 HydrophobicContact CG2-CD1 4.36Å; I306-I314 CarbonylContact C-O 3.54Å; I306-I314 VanDerWaalsContact CA-O 3.28Å; I306-I314 WeakPolarHBondContact CA-O 3.36Å; I306-I314 WeakPolarHBondContact CB-O 3.46Å; S307-I314 PolarHBondContact N-O 2.98Å; S307-I314 PolarHBondContact O-N 3.21Å; T309-I314 HydrophobicContact CG2-CD1 4.3Å; T309-I314 HydrophobicContact CG2-CG1 3.99Å; T309-I314 HydrophobicContact CG2-CG2 3.96Å; I314-L316 HydrophobicContact CD1-CD2 3.77Å; I314-L316 HydrophobicContact CG1-CD2 3.92Å
315	I	98.6	Very high	98.1	Very high	72 Å²	72	47.3 Å²	47.3	37%	0.369	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	134.8	170.9	-64.5	171.4	0	0	0	108.5	I189 H304 I306 T317	I189-I315 HydrophobicContact CD1-CD1 4.25Å; I189-I315 HydrophobicContact CD1-CG1 4.32Å; I189-I315 HydrophobicContact CG2-CG1 4.45Å; H304-I315 HydrophobicContact CB-CG2 3.92Å; H304-I315 WeakPolarHBondContact ND1-CG2 3.34Å; I306-I315 HydrophobicContact CG2-CG1 4Å; I315-T317 WeakPolarHBondContact CG2-O 3.31Å
316	L	98.5	Very high	98	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.037	27%	0.269	C	S	.	.			trans	-101.9	-11.7	-179.7	-56.7	-169.2	0	0	0	113.4	I51 C54 K55 G58 T255 T305 I314	I51-L316 HydrophobicContact CG2-CD1 4.41Å; I51-L316 HydrophobicContact CG2-CD2 4.24Å; C54-L316 HydrophobicContact CB-CD1 3.56Å; K55-L316 HydrophobicContact CB-CD2 4.16Å; K55-L316 HydrophobicContact CG-CD2 4.44Å; G58-L316 WeakPolarHBondContact CA-O 3.37Å; T255-L316 HydrophobicContact CG2-CD1 3.81Å; T305-L316 HydrophobicContact CG2-CB 4.26Å; T305-L316 HydrophobicContact CG2-CD1 4.11Å; T305-L316 HydrophobicContact CG2-CG 4.48Å; T305-L316 PolarHBondContact O-N 3.29Å; I314-L316 HydrophobicContact CD1-CD2 3.77Å; I314-L316 HydrophobicContact CG1-CD2 3.92Å
317	T	97.2	Very high	98	Very high	25 Å²	25	55.8 Å²	55.8	15%	0.153	29%	0.294	C	S	.	.			trans	-120.2	0	-178.3	52.9	0	0	0	0	114.3	R62 D147 A148 H304 T305 I315	R62-T317 WeakPolarHBondContact CB-OXT 3.37Å; D147-T317 WeakPolarHBondContact O-CG2 3.43Å; A148-T317 HydrophobicContact CB-CG2 3.9Å; H304-T317 WeakPolarHBondContact CA-OG1 3.49Å; H304-T317 PolarHBondContact CE1-O 3.36Å; H304-T317 VanDerWaalsContact CE1-O 3.24Å; H304-T317 PolarHBondContact ND1-O 3.19Å; H304-T317 PolarHBondContact ND1-OG1 2.95Å; T305-T317 PolarHBondContact N-OG1 3.32Å; I315-T317 WeakPolarHBondContact CG2-O 3.31Å

Retrieved 317 of 317 residues in 209.5 ms (Link to these results)

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