A0A087XYN8_POEFO Loading...

Inactive C-alpha-formylglycine-generating enzyme 2

Lacks formylglycine generating activity and is unable to convert newly synthesized inactive sulfatases to their active form. Inhibits the activation of sulfatases by SUMF1.

AlphaFold DB , UniProt , Accession A0A087XYN8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 309 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	36.1	Very low	31	Very low	228 Å²	228	163.1 Å²	163.1	100%	1.123	83%	0.833	S	S	*	*				0	91.4	0	-171.8	165.8	96.8	0	0	108.3
2	L	28.5	Very low	31.1	Very low	161 Å²	161	161.9 Å²	161.9	84%	0.843	84%	0.84	S	S	*	*			trans	-144.3	112.3	153.6	-128.5	99.5	0	0	0	104.4	F4	L2-F4 HydrophobicContact CD2-CE2 4.34Å
3	V	28.2	Very low	31.4	Very low	109 Å²	109	162 Å²	162	66%	0.661	83%	0.834	S	S	*	*			trans	-104.5	116.5	-169.8	173.8	0	0	0	0	106.7	K5	V3-K5 HydrophobicContact CG1-CG 4.03Å
4	F	28	Very low	31.5	Very low	180 Å²	180	158.4 Å²	158.4	79%	0.789	83%	0.83	S	S	*	*			trans	-102.3	107.9	158.8	-84.1	-81.7	0	0	0	108.1	L2	L2-F4 HydrophobicContact CD2-CE2 4.34Å
5	K	28.8	Very low	32	Very low	188 Å²	188	155.3 Å²	155.3	82%	0.817	82%	0.82	S	S	*	*			trans	-80.1	118.6	171.4	-89.6	176.7	173	177.3	0	108.5	V3	V3-K5 HydrophobicContact CG1-CG 4.03Å
6	F	27.8	Very low	32.3	Very low	206 Å²	206	158 Å²	158	90%	0.904	82%	0.822	S	S	*	*			trans	-115.4	122.1	150.4	-89.2	-88.7	0	0	0	107.6
7	S	30.6	Very low	32.6	Very low	111 Å²	111	157.5 Å²	157.5	78%	0.776	82%	0.817	S	S	*	*			trans	-113.5	119.3	174.6	176.1	0	0	0	0	107.3
8	L	31.3	Very low	33.1	Very low	166 Å²	166	154.3 Å²	154.3	87%	0.869	80%	0.802	S	S	*	*			trans	-171.3	104.6	136.8	-98.3	153.1	0	0	0	109.4
9	S	35.5	Very low	33.5	Very low	109 Å²	109	153.1 Å²	153.1	76%	0.762	80%	0.801	S	S	*	*			trans	25	105.7	143	-169.9	0	0	0	0	118.7
10	S	34.2	Very low	33.8	Very low	108 Å²	108	155.9 Å²	155.9	76%	0.755	80%	0.801	S	S	*	*				167	133	106	50.1	0	0	0	0	111.7
11	R	32	Very low	34	Very low	228 Å²	228	153.8 Å²	153.8	86%	0.86	80%	0.795	S	S	*	*			trans	55.8	97.7	167.8	-66.1	-177	-167.7	-149.2	1.7	117.8	E13	R11-E13 PolarHBondContact O-N 3.24Å
12	T	32.6	Very low	34	Very low	149 Å²	149	148.3 Å²	148.3	91%	0.914	77%	0.774	S	S	*	*			trans	-63.3	104.9	149.7	39.7	0	0	0	0	110.2
13	E	34.8	Very low	34.3	Very low	163 Å²	163	149.3 Å²	149.3	76%	0.762	77%	0.772	S	S	*	*			trans	-103	112.3	152.6	-82.2	-175.8	175.9	0	0	108.1	R11 V15	R11-E13 PolarHBondContact O-N 3.24Å; E13-V15 PolarHBondContact O-N 3.19Å
14	S	32.4	Very low	34.8	Very low	112 Å²	112	155.3 Å²	155.3	78%	0.783	78%	0.783	S	S	*	*			trans	-76.4	97.9	171.9	58.8	0	0	0	0	108.9	K16	S14-K16 PolarHBondContact O-N 3.23Å
15	V	38.9	Very low	35.2	Very low	112 Å²	112	154.6 Å²	154.6	68%	0.679	79%	0.786	S	S	*	*			trans	-77.2	104.5	165.9	-176.5	0	0	0	0	107.4	E13 M17	E13-V15 PolarHBondContact O-N 3.19Å; V15-M17 HydrophobicContact CG1-CG 4.1Å; V15-M17 PolarHBondContact O-N 3.49Å; V15-M17 VanDerWaalsContact O-N 3.09Å
16	K	38	Very low	35.7	Very low	198 Å²	198	155.2 Å²	155.2	86%	0.861	79%	0.79	S	S	*	*			trans	-69.5	100.1	165.1	-77	-178	177.4	178.6	0	107.4	S14 D18	S14-K16 PolarHBondContact O-N 3.23Å; K16-D18 PolarHBondContact O-N 3.33Å
17	M	37.2	Very low	36.4	Very low	149 Å²	149	150 Å²	150	73%	0.734	78%	0.784	S	S	*	*			trans	-78.3	118.7	169.7	-79.1	172.8	58.7	0	0	109.2	V15	V15-M17 HydrophobicContact CG1-CG 4.1Å; V15-M17 PolarHBondContact O-N 3.49Å; V15-M17 VanDerWaalsContact O-N 3.09Å
18	D	40.8	Very low	37.1	Very low	101 Å²	101	149.7 Å²	149.7	54%	0.54	78%	0.777	S	S	.	*			trans	-64.8	137.2	171.5	-173.3	0.7	0	0	0	109.7	K16 R20 T21	K16-D18 PolarHBondContact O-N 3.33Å; D18-R20 PolarHBondContact O-N 3.49Å; D18-R20 PolarHBondContact OD1-N 2.95Å; D18-T21 PolarHBondContact O-N 3.09Å
19	V	40.2	Very low	37.5	Very low	130 Å²	130	149.9 Å²	149.9	79%	0.788	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-4.5	-177.4	-174.8	0	0	0	0	111.7
20	R	41	Very low	37.9	Very low	210 Å²	210	151.2 Å²	151.2	79%	0.792	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-4.5	-179.7	-69	-179.7	166.8	-175.9	-3.4	115.5	D18	D18-R20 PolarHBondContact O-N 3.49Å; D18-R20 PolarHBondContact OD1-N 2.95Å
21	T	37.5	Very low	38.3	Very low	111 Å²	111	150.2 Å²	150.2	68%	0.681	77%	0.767	S	S	*	*	S	Bend	trans	-106.9	2.4	-174.3	-42	0	0	0	0	114.8	D18 F23	D18-T21 PolarHBondContact O-N 3.09Å; T21-F23 VanDerWaalsContact C-N 3.35Å
22	V	35.2	Very low	39	Very low	113 Å²	113	148.5 Å²	148.5	69%	0.685	77%	0.769	S	S	*	*	S	Bend	trans	-90.8	4.7	179	-175.1	0	0	0	0	113	W24	V22-W24 PolarHBondContact O-N 3.36Å
23	F	36.3	Very low	40.1	Very low	183 Å²	183	146 Å²	146	80%	0.803	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	16	-171.9	-108.5	-79.1	0	0	0	116.7	T21	T21-F23 VanDerWaalsContact C-N 3.35Å
24	W	38.1	Very low	41.1	Very low	235 Å²	235	141.1 Å²	141.1	89%	0.89	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.8	13.6	-170.5	-95.7	98.4	0	0	0	118.2	V22	V22-W24 PolarHBondContact O-N 3.36Å
25	L	35.4	Very low	42.3	Very low	164 Å²	164	138 Å²	138	86%	0.859	72%	0.715	S	S	*	*	S	Bend	trans	-140.1	34.7	178.5	-89	167.4	0	0	0	115.4
26	F	40.3	Very low	43.6	Very low	202 Å²	202	134.1 Å²	134.1	89%	0.886	70%	0.697	S	S	*	*			trans	-127.9	60.9	156.1	-87.2	-87.2	0	0	0	109	V28	F26-V28 PolarHBondContact O-N 2.73Å
27	A	42.4	Very low	46.1	Very low	96 Å²	96	128.6 Å²	128.6	79%	0.793	67%	0.674	S	S	*	*			trans	-65.5	94.7	151.6	0	0	0	0	0	105.6	L29	A27-L29 PolarHBondContact O-N 2.97Å
28	V	44.3	Very low	49	Very low	104 Å²	104	123.1 Å²	123.1	63%	0.63	65%	0.647	S	S	*	*			trans	-51.2	111.7	164	178.3	0	0	0	0	105.1	F26 L30	F26-V28 PolarHBondContact O-N 2.73Å; V28-L30 HydrophobicContact CG1-CD2 4.01Å; V28-L30 HydrophobicContact CG1-CG 3.89Å; V28-L30 PolarHBondContact O-N 2.96Å
29	L	41	Very low	51.7	Low	171 Å²	171	119.7 Å²	119.7	90%	0.895	63%	0.63	S	S	*	*			trans	-62	77.2	161.2	-96.1	134.7	0	0	0	106.2	A27	A27-L29 PolarHBondContact O-N 2.97Å
30	L	43.8	Very low	54.4	Low	137 Å²	137	118.8 Å²	118.8	72%	0.717	62%	0.62	S	S	*	*			trans	-62.3	124.4	157.2	-72	171.8	0	0	0	104.1	V28 E32	V28-L30 HydrophobicContact CG1-CD2 4.01Å; V28-L30 HydrophobicContact CG1-CG 3.89Å; V28-L30 PolarHBondContact O-N 2.96Å; L30-E32 PolarHBondContact O-N 3.33Å
31	P	41.2	Very low	57.2	Low	86 Å²	86	108.9 Å²	108.9	56%	0.558	58%	0.583	S	S	*	*			trans	-54.9	119.7	171	19.6	-24	0	0	0	106.1	F33	P31-F33 HydrophobicContact CG-CE2 4.03Å; P31-F33 HydrophobicContact CG-CZ 4.18Å; P31-F33 WeakPolarHBondContact O-CD2 3.4Å; P31-F33 PolarHBondContact O-N 2.89Å
32	E	48.5	Very low	60	Low	192 Å²	192	106.8 Å²	106.8	90%	0.897	57%	0.572	S	S	*	*			trans	-66.1	89.2	171.8	-161	161.7	-151.8	0	0	105	L30 A34	L30-E32 PolarHBondContact O-N 3.33Å; E32-A34 PolarHBondContact O-N 3.17Å
33	F	54	Low	63	Low	97 Å²	97	102.8 Å²	102.8	43%	0.425	55%	0.553	S	S	.	*			trans	-55.6	115.9	177	-77.1	-80.4	0	0	0	106.5	P31 A35 A225	P31-F33 HydrophobicContact CG-CE2 4.03Å; P31-F33 HydrophobicContact CG-CZ 4.18Å; P31-F33 WeakPolarHBondContact O-CD2 3.4Å; P31-F33 PolarHBondContact O-N 2.89Å; F33-A35 PolarHBondContact O-N 3.28Å; F33-A225 HydrophobicContact CD1-CB 4.19Å; F33-A225 HydrophobicContact CE1-CB 3.37Å; F33-A225 HydrophobicContact CZ-CB 3.93Å
34	A	57.3	Low	65.9	Low	60 Å²	60	95.3 Å²	95.3	50%	0.496	53%	0.528	S	S	.	.			trans	-71.2	73.4	175.4	0	0	0	0	0	108.5	E32 G36 E37	E32-A34 PolarHBondContact O-N 3.17Å; A34-G36 PolarHBondContact O-N 2.94Å; A34-G36 VanDerWaalsContact O-N 3.15Å; A34-E37 HydrophobicContact CB-CB 4.37Å; A34-E37 WeakPolarHBondContact O-CB 3.14Å; A34-E37 PolarHBondContact O-N 2.86Å
35	A	57.4	Low	68.7	Low	48 Å²	48	92.9 Å²	92.9	40%	0.397	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	119.1	179.3	0	0	0	0	0	107.7	F33 I81	F33-A35 PolarHBondContact O-N 3.28Å; A35-I81 HydrophobicContact CB-CD1 3.4Å; A35-I81 HydrophobicContact CB-CG1 3.43Å; A35-I81 VanDerWaalsContact CB-CG1 3.43Å
36	G	66.6	Low	71.7	Confident	30 Å²	30	85 Å²	85	31%	0.309	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	13.3	-174.1	0	0	0	0	0	115.6	A34 M38 I81	A34-G36 PolarHBondContact O-N 2.94Å; A34-G36 VanDerWaalsContact O-N 3.15Å; G36-M38 PolarHBondContact O-N 3.17Å; G36-I81 VanDerWaalsContact N-CD1 3.34Å
37	E	90.3	Very high	74.4	Confident	81 Å²	81	79.9 Å²	79.9	38%	0.379	46%	0.456	S	S	.	.			trans	-63.4	127.7	167.9	-171.5	-171.8	168.5	0	0	110.8	A34 K74	A34-E37 HydrophobicContact CB-CB 4.37Å; A34-E37 WeakPolarHBondContact O-CB 3.14Å; A34-E37 PolarHBondContact O-N 2.86Å; E37-K74 VanDerWaalsContact CD-NZ 3.31Å; E37-K74 HydrophobicContact CG-CD 4.27Å; E37-K74 VanDerWaalsContact O-CB 3.29Å; E37-K74 WeakPolarHBondContact O-CB 3.46Å; E37-K74 PolarHBondContact O-N 2.96Å; E37-K74 IonicContact OE1-NZ 3.78Å; E37-K74 PolarHBondContact OE1-NZ 3.35Å; E37-K74 VanDerWaalsContact OE1-NZ 3.14Å; E37-K74 WeakPolarHBondContact OE2-CD 3.22Å; E37-K74 IonicContact OE2-NZ 3.14Å; E37-K74 PolarHBondContact OE2-NZ 2.96Å
38	M	97.3	Very high	77.1	Confident	35 Å²	35	75.6 Å²	75.6	17%	0.172	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	148.8	175.1	-57.1	-170.1	92	0	0	111.8	G36 R71 I72 D73 H169 A299	G36-M38 PolarHBondContact O-N 3.17Å; M38-R71 HydrophobicContact CB-CB 4.17Å; M38-R71 HydrophobicContact CE-CB 3.85Å; M38-R71 HydrophobicContact SD-CB 4Å; M38-I72 CarbonylContact C-O 3.16Å; M38-I72 VanDerWaalsContact CA-O 3.27Å; M38-I72 WeakPolarHBondContact CA-O 3.24Å; M38-D73 WeakPolarHBondContact CE-OD1 3.41Å; M38-D73 VanDerWaalsContact CG-OD1 3.29Å; M38-D73 WeakPolarHBondContact CG-OD1 3.32Å; M38-H169 PolarHBondContact SD-CE1 3.41Å; M38-A299 HydrophobicContact CE-CB 3.88Å; M38-A299 HydrophobicContact SD-CB 4.13Å
39	V	97.6	Very high	79.6	Confident	29 Å²	29	71.2 Å²	71.2	18%	0.176	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	138.7	173.7	-175.2	0	0	0	0	110	I41 R71 I72 K74 Y233 L235	V39-I41 HydrophobicContact CB-CD1 4.28Å; V39-I41 HydrophobicContact CG1-CD1 4.08Å; V39-I41 PolarHBondContact O-N 3.04Å; V39-R71 WeakPolarHBondContact O-CA 3.44Å; V39-I72 PolarHBondContact N-O 3.28Å; V39-I72 PolarHBondContact O-N 3.41Å; V39-I72 VanDerWaalsContact O-N 3.08Å; V39-K74 HydrophobicContact CG2-CB 4.17Å; V39-K74 HydrophobicContact CG2-CD 4.45Å; V39-K74 HydrophobicContact CG2-CG 4.32Å; V39-Y233 WeakPolarHBondContact CG1-O 3.42Å; V39-L235 HydrophobicContact CB-CD2 4.23Å; V39-L235 HydrophobicContact CG2-CD2 3.97Å
40	N	97.9	Very high	82.3	Confident	110 Å²	110	64.4 Å²	64.4	59%	0.588	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	118.6	168.7	-66.6	-54.3	0	0	0	109.8	R71	N40-R71 WeakPolarHBondContact OD1-CD 3.44Å; N40-R71 WeakPolarHBondContact OD1-CG 3.28Å
41	I	98.4	Very high	84.8	Confident	2 Å²	2	67.8 Å²	67.8	1%	0.01	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.9	178.5	-53.8	-58.8	0	0	0	108.3	V39 P69 F70 I72 W179 Y233 L235	V39-I41 HydrophobicContact CB-CD1 4.28Å; V39-I41 HydrophobicContact CG1-CD1 4.08Å; V39-I41 PolarHBondContact O-N 3.04Å; I41-P69 WeakPolarHBondContact O-CA 3.48Å; I41-F70 HydrophobicContact CB-CD1 3.92Å; I41-F70 HydrophobicContact CB-CE1 3.62Å; I41-F70 HydrophobicContact CB-CG 4.49Å; I41-F70 HydrophobicContact CB-CZ 3.93Å; I41-F70 HydrophobicContact CG1-CE1 4.23Å; I41-F70 HydrophobicContact CG1-CE2 4.31Å; I41-F70 HydrophobicContact CG1-CZ 4.01Å; I41-F70 HydrophobicContact CG2-CD1 4.17Å; I41-F70 HydrophobicContact CG2-CE1 3.47Å; I41-F70 VanDerWaalsContact CG2-CE1 3.47Å; I41-F70 HydrophobicContact CG2-CZ 3.89Å; I41-F70 PolarHBondContact N-O 3.43Å; I41-F70 PolarHBondContact O-N 2.95Å; I41-I72 HydrophobicContact CD1-CG2 3.89Å; I41-I72 HydrophobicContact CG1-CB 4.39Å; I41-I72 HydrophobicContact CG1-CG2 3.64Å; I41-W179 VanDerWaalsContact CG2-CD1 3.47Å; I41-Y233 HydrophobicContact CD1-CD2 3.66Å; I41-Y233 HydrophobicContact CD1-CE2 4.35Å; I41-Y233 HydrophobicContact CD1-CG 4.01Å; I41-Y233 HydrophobicContact CG2-CD2 4.3Å; I41-Y233 HydrophobicContact CG2-CE2 3.94Å; I41-L235 HydrophobicContact CD1-CD1 4.32Å
42	P	97.7	Very high	87.4	Confident	67 Å²	67	65.2 Å²	65.2	44%	0.435	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-64.9	144.4	175.8	28.9	-34.4	0	0	0	109.6	W179 Y233	P42-W179 PolarHBondContact O-NE1 2.67Å; P42-Y233 HydrophobicContact CG-CE1 4.2Å
43	G	97.1	Very high	89.6	Confident	29 Å²	29	61.3 Å²	61.3	30%	0.299	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-71.5	166.6	169.8	0	0	0	0	0	111.7	V67	G43-V67 CarbonylContact C-O 3.56Å; G43-V67 WeakPolarHBondContact CA-O 3.24Å
44	G	97.4	Very high	91.5	Very high	26 Å²	26	59.8 Å²	59.8	27%	0.268	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-174.4	178.1	0	0	0	0	0	113.6	V67	G44-V67 PolarHBondContact N-O 3.39Å; G44-V67 PolarHBondContact O-N 3.39Å
45	R	97.8	Very high	93.2	Very high	184 Å²	184	58.5 Å²	58.5	69%	0.694	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	117.1	175.7	-174.8	176.9	173.3	176.8	-0.6	109.9	V65 W179	R45-V65 CarbonylContact C-O 3.54Å; R45-V65 WeakPolarHBondContact CA-O 3.46Å; R45-W179 WeakPolarHBondContact O-CZ3 3.35Å
46	L	97.8	Very high	95	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	130.4	177.5	172.1	60.3	0	0	0	110.8	M48 A64 V65 V67 E178 W179 R182	L46-M48 HydrophobicContact CD2-CB 3.65Å; L46-M48 HydrophobicContact CD2-CG 3.76Å; L46-M48 HydrophobicContact CD2-SD 4.06Å; L46-M48 HydrophobicContact CG-CB 3.75Å; L46-M48 HydrophobicContact CG-CG 4.36Å; L46-M48 PolarHBondContact O-N 3.24Å; L46-A64 CarbonylContact O-C 3.53Å; L46-A64 WeakPolarHBondContact O-CA 3.49Å; L46-V65 HydrophobicContact CB-CB 4.29Å; L46-V65 PolarHBondContact N-O 2.99Å; L46-V65 PolarHBondContact O-N 3.45Å; L46-V67 HydrophobicContact CB-CG2 4.24Å; L46-V67 HydrophobicContact CD2-CG2 4.41Å; L46-E178 HydrophobicContact CD2-CB 4.39Å; L46-W179 HydrophobicContact CB-CE3 3.67Å; L46-W179 HydrophobicContact CB-CZ3 4.13Å; L46-W179 HydrophobicContact CD1-CE3 3.92Å; L46-W179 HydrophobicContact CD2-CB 4.28Å; L46-W179 HydrophobicContact CG-CE3 4.29Å; L46-R182 VanDerWaalsContact CD1-CD 3.43Å
47	E	97.6	Very high	96.3	Very high	94 Å²	94	64.5 Å²	64.5	44%	0.439	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	88.3	157.9	-63.9	-169	147.2	0	0	108.8	V62	E47-V62 HydrophobicContact CB-CG1 3.92Å
48	M	98.2	Very high	96.5	Very high	5 Å²	5	63.3 Å²	63.3	3%	0.025	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	141.4	-171.8	-165	173.7	179.8	0	0	111.1	L46 V62 R63 V65 E174 E175 E178	L46-M48 HydrophobicContact CD2-CB 3.65Å; L46-M48 HydrophobicContact CD2-CG 3.76Å; L46-M48 HydrophobicContact CD2-SD 4.06Å; L46-M48 HydrophobicContact CG-CB 3.75Å; L46-M48 HydrophobicContact CG-CG 4.36Å; L46-M48 PolarHBondContact O-N 3.24Å; M48-V62 CarbonylContact O-C 3.58Å; M48-V62 WeakPolarHBondContact O-CA 3.42Å; M48-R63 HydrophobicContact CB-CG 4.04Å; M48-R63 PolarHBondContact N-O 3.02Å; M48-R63 PolarHBondContact O-N 3.15Å; M48-R63 PolarHBondContact SD-NH2 2.96Å; M48-V65 HydrophobicContact CB-CG2 3.98Å; M48-V65 HydrophobicContact SD-CG2 4.14Å; M48-E174 HydrophobicContact CE-CB 4.17Å; M48-E174 HydrophobicContact CE-CG 3.5Å; M48-E175 HydrophobicContact CE-CG 4.34Å; M48-E175 HydrophobicContact SD-CB 4.34Å; M48-E175 HydrophobicContact SD-CG 3.79Å; M48-E178 WeakPolarHBondContact CA-OE1 3.37Å; M48-E178 HydrophobicContact CE-CB 4.32Å; M48-E178 WeakPolarHBondContact CG-OE1 3.21Å; M48-E178 WeakPolarHBondContact CG-OE2 3.39Å
49	G	97.4	Very high	96.5	Very high	12 Å²	12	62.1 Å²	62.1	12%	0.124	35%	0.347	C	S	.	.	S	Bend	trans	86.8	-161.7	179.8	0	0	0	0	0	113.8	E59 E178 R182 T279	G49-E59 CarbonylContact C-O 3.49Å; G49-E59 WeakPolarHBondContact CA-O 3.38Å; G49-E178 PolarHBondContact N-OE1 3.02Å; G49-R182 PolarHBondContact O-NH2 2.99Å; G49-R182 VanDerWaalsContact O-NH2 3.16Å; G49-T279 VanDerWaalsContact C-CG2 3.5Å; G49-T279 WeakPolarHBondContact O-CG2 3.25Å
50	T	97.4	Very high	96.4	Very high	28 Å²	28	63 Å²	63	17%	0.172	36%	0.355	C	S	.	.			trans	-142.9	160.5	-174.1	-172.7	0	0	0	0	113	A52 E59 S60	T50-A52 HydrophobicContact CG2-CB 4.18Å; T50-A52 WeakPolarHBondContact OG1-CB 3Å; T50-A52 PolarHBondContact OG1-N 3.15Å; T50-A52 VanDerWaalsContact OG1-N 3.09Å; T50-E59 HydrophobicContact CG2-CB 3.95Å; T50-E59 PolarHBondContact N-O 2.94Å; T50-S60 WeakPolarHBondContact O-CA 3.45Å; T50-S60 VanDerWaalsContact O-CB 3.27Å; T50-S60 WeakPolarHBondContact O-CB 3.39Å
51	R	96.4	Very high	96.3	Very high	209 Å²	209	63 Å²	63	79%	0.789	36%	0.36	S	S	*	.			trans	-104.2	6.5	169.4	-56.8	-175	-174.1	157.6	3.8	112.4	A53 V62	R51-A53 PolarHBondContact O-N 2.97Å; R51-V62 HydrophobicContact CG-CB 4.44Å; R51-V62 HydrophobicContact CG-CG2 3.63Å
52	A	94.6	Very high	96.3	Very high	31 Å²	31	65 Å²	65	26%	0.256	37%	0.372	S	S	.	.			trans	-63.5	134.6	-178.3	0	0	0	0	0	110.4	T50 D54 S55	T50-A52 HydrophobicContact CG2-CB 4.18Å; T50-A52 WeakPolarHBondContact OG1-CB 3Å; T50-A52 PolarHBondContact OG1-N 3.15Å; T50-A52 VanDerWaalsContact OG1-N 3.09Å; A52-D54 WeakPolarHBondContact CB-OD1 3.33Å; A52-D54 PolarHBondContact O-N 3.45Å; A52-S55 VanDerWaalsContact O-CB 3.27Å; A52-S55 WeakPolarHBondContact O-CB 3.41Å; A52-S55 PolarHBondContact O-N 3.34Å; A52-S55 PolarHBondContact O-OG 3.19Å
53	A	94.5	Very high	96.2	Very high	111 Å²	111	66.9 Å²	66.9	92%	0.917	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.6	-177.2	0	0	0	0	0	113.1	R51 S55	R51-A53 PolarHBondContact O-N 2.97Å; A53-S55 VanDerWaalsContact C-N 3.29Å
54	D	94.1	Very high	96.3	Very high	65 Å²	65	68.4 Å²	68.4	35%	0.348	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	21.8	174.2	65.1	-8.7	0	0	0	112.6	A52 K275 R277	A52-D54 WeakPolarHBondContact CB-OD1 3.33Å; A52-D54 PolarHBondContact O-N 3.45Å; D54-K275 VanDerWaalsContact OD2-CD 3.29Å; D54-K275 WeakPolarHBondContact OD2-CD 3.38Å; D54-K275 WeakPolarHBondContact OD2-CE 3.45Å; D54-K275 IonicContact OD2-NZ 3.48Å; D54-K275 PolarHBondContact OD2-NZ 3.04Å; D54-R277 PolarHBondContact O-NH2 2.93Å; D54-R277 IonicContact OD1-CZ 3.27Å; D54-R277 IonicContact OD1-NH1 3.54Å; D54-R277 PolarHBondContact OD1-NH1 3.04Å; D54-R277 IonicContact OD1-NH2 2.7Å; D54-R277 IonicContact OD2-NH1 3.81Å
55	S	94.1	Very high	96.3	Very high	32 Å²	32	68.2 Å²	68.2	22%	0.224	37%	0.374	C	S	.	.			trans	-59.9	133.3	171.3	65.1	0	0	0	0	111.4	A52 A53 S60 R277	A52-S55 VanDerWaalsContact O-CB 3.27Å; A52-S55 WeakPolarHBondContact O-CB 3.41Å; A52-S55 PolarHBondContact O-N 3.34Å; A52-S55 PolarHBondContact O-OG 3.19Å; A53-S55 VanDerWaalsContact C-N 3.29Å; S55-S60 WeakPolarHBondContact OG-CB 3.42Å; S55-S60 PolarHBondContact OG-OG 3.02Å; S55-R277 VanDerWaalsContact CA-NH2 3.29Å
56	R	95	Very high	96.3	Very high	127 Å²	127	67.1 Å²	67.1	48%	0.479	38%	0.377	S	S	.	.			trans	-118.3	165.1	173.6	-63.7	-173.4	-177.6	170.8	3.4	110.8	G58 E59 N273	R56-G58 VanDerWaalsContact C-N 3.25Å; R56-G58 PolarHBondContact O-N 3.16Å; R56-E59 PolarHBondContact N-OE1 2.72Å; R56-E59 VanDerWaalsContact N-OE1 3.11Å; R56-E59 WeakPolarHBondContact O-CB 3.23Å; R56-E59 WeakPolarHBondContact O-CG 3.34Å; R56-E59 PolarHBondContact O-N 3.48Å; R56-N273 PolarHBondContact NH1-O 3.25Å
57	D	93.9	Very high	96.3	Very high	77 Å²	77	67.5 Å²	67.5	41%	0.412	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	39.1	164.6	-54	-49.5	0	0	0	115.8	F250 R281	D57-F250 HydrophobicContact CB-CE2 4.44Å; D57-F250 HydrophobicContact CB-CZ 4.27Å; D57-R281 WeakPolarHBondContact O-CD 3.22Å; D57-R281 PolarHBondContact O-NH1 3.42Å
58	G	94.1	Very high	96.3	Very high	56 Å²	56	69 Å²	69	58%	0.577	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	19.7	179.3	0	0	0	0	0	115.1	R56 S60	R56-G58 VanDerWaalsContact C-N 3.25Å; R56-G58 PolarHBondContact O-N 3.16Å; G58-S60 PolarHBondContact O-N 3.3Å
59	E	96.6	Very high	96.3	Very high	10 Å²	10	71.9 Å²	71.9	5%	0.047	41%	0.409	C	S	.	.			trans	-60.2	-26.4	169	-79.5	-170.7	-89.6	0	0	113	G49 T50 R56 R277 T279 R281	G49-E59 CarbonylContact C-O 3.49Å; G49-E59 WeakPolarHBondContact CA-O 3.38Å; T50-E59 HydrophobicContact CG2-CB 3.95Å; T50-E59 PolarHBondContact N-O 2.94Å; R56-E59 PolarHBondContact N-OE1 2.72Å; R56-E59 VanDerWaalsContact N-OE1 3.11Å; R56-E59 WeakPolarHBondContact O-CB 3.23Å; R56-E59 WeakPolarHBondContact O-CG 3.34Å; R56-E59 PolarHBondContact O-N 3.48Å; E59-R277 VanDerWaalsContact CD-NH2 3.33Å; E59-R277 IonicContact OE1-CZ 3.14Å; E59-R277 IonicContact OE1-NE 2.86Å; E59-R277 IonicContact OE1-NH2 2.88Å; E59-R277 PolarHBondContact OE1-NH2 3.35Å; E59-R277 IonicContact OE2-CZ 3.28Å; E59-R277 VanDerWaalsContact OE2-CZ 3.31Å; E59-R277 IonicContact OE2-NE 3.33Å; E59-R277 PolarHBondContact OE2-NE 3.05Å; E59-R277 IonicContact OE2-NH2 2.72Å; E59-R277 PolarHBondContact OE2-NH2 3.33Å; E59-R277 VanDerWaalsContact OE2-NH2 3.16Å; E59-T279 WeakPolarHBondContact CG-O 3.29Å; E59-T279 VanDerWaalsContact OE2-CB 3.23Å; E59-T279 WeakPolarHBondContact OE2-CB 3.16Å; E59-T279 PolarHBondContact OE2-OG1 2.75Å; E59-R281 HydrophobicContact CG-CG 4.12Å
60	S	95.4	Very high	96.4	Very high	49 Å²	49	71.4 Å²	71.4	34%	0.343	40%	0.403	S	S	.	.			trans	-113	156	173.6	66.2	0	0	0	0	110.8	T50 S55 G58	T50-S60 WeakPolarHBondContact O-CA 3.45Å; T50-S60 VanDerWaalsContact O-CB 3.27Å; T50-S60 WeakPolarHBondContact O-CB 3.39Å; S55-S60 WeakPolarHBondContact OG-CB 3.42Å; S55-S60 PolarHBondContact OG-OG 3.02Å; G58-S60 PolarHBondContact O-N 3.3Å
61	P	96.8	Very high	96.4	Very high	109 Å²	109	74.6 Å²	74.6	71%	0.708	41%	0.412	S	S	*	.	S	Bend	cis	-80.1	170.6	-1.9	35.1	-36.7	0	0	0	113.1	R63	P61-R63 PolarHBondContact O-N 3.33Å
62	V	97.8	Very high	96.6	Very high	43 Å²	43	64.7 Å²	64.7	26%	0.261	38%	0.375	S	S	.	.			trans	-64.6	130.6	166.8	175.6	0	0	0	0	109.9	E47 M48 R51	E47-V62 HydrophobicContact CB-CG1 3.92Å; M48-V62 CarbonylContact O-C 3.58Å; M48-V62 WeakPolarHBondContact O-CA 3.42Å; R51-V62 HydrophobicContact CG-CB 4.44Å; R51-V62 HydrophobicContact CG-CG2 3.63Å
63	R	97.2	Very high	96.7	Very high	108 Å²	108	63.6 Å²	63.6	41%	0.408	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144	175.9	61.1	177.4	176.9	113.3	-7.8	111.6	M48 P61 V65 E175	M48-R63 HydrophobicContact CB-CG 4.04Å; M48-R63 PolarHBondContact N-O 3.02Å; M48-R63 PolarHBondContact O-N 3.15Å; M48-R63 PolarHBondContact SD-NH2 2.96Å; P61-R63 PolarHBondContact O-N 3.33Å; R63-V65 HydrophobicContact CG-CG2 4.03Å; R63-V65 VanDerWaalsContact NH1-CG2 3.26Å; R63-E175 IonicContact CZ-OE1 3.31Å; R63-E175 IonicContact NH1-OE1 3.67Å; R63-E175 PolarHBondContact NH1-OE1 2.65Å; R63-E175 IonicContact NH2-OE1 3.55Å; R63-E175 PolarHBondContact NH2-OE1 3.19Å
64	A	97.4	Very high	96.9	Very high	61 Å²	61	60 Å²	60	50%	0.504	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	129.4	172.7	0	0	0	0	0	110	L46	L46-A64 CarbonylContact O-C 3.53Å; L46-A64 WeakPolarHBondContact O-CA 3.49Å
65	V	97.4	Very high	97.1	Very high	21 Å²	21	58.1 Å²	58.1	13%	0.127	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.7	179.9	179.9	0	0	0	0	108.9	R45 L46 M48 R63 V67 E175	R45-V65 CarbonylContact C-O 3.54Å; R45-V65 WeakPolarHBondContact CA-O 3.46Å; L46-V65 HydrophobicContact CB-CB 4.29Å; L46-V65 PolarHBondContact N-O 2.99Å; L46-V65 PolarHBondContact O-N 3.45Å; M48-V65 HydrophobicContact CB-CG2 3.98Å; M48-V65 HydrophobicContact SD-CG2 4.14Å; R63-V65 HydrophobicContact CG-CG2 4.03Å; R63-V65 VanDerWaalsContact NH1-CG2 3.26Å; V65-V67 HydrophobicContact CG1-CG2 4.23Å; V65-E175 HydrophobicContact CG1-CB 4.03Å; V65-E175 HydrophobicContact CG1-CG 3.57Å; V65-E175 HydrophobicContact CG2-CG 4.47Å
66	E	98.1	Very high	97.4	Very high	162 Å²	162	56.8 Å²	56.8	76%	0.757	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.5	169.1	-171.7	172.7	-178.4	0	0	109.5
67	V	98.2	Very high	97.5	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.1	178.2	-177.5	0	0	0	0	107.8	G43 G44 L46 V65 F70 E175 E176 W179	G43-V67 CarbonylContact C-O 3.56Å; G43-V67 WeakPolarHBondContact CA-O 3.24Å; G44-V67 PolarHBondContact N-O 3.39Å; G44-V67 PolarHBondContact O-N 3.39Å; L46-V67 HydrophobicContact CB-CG2 4.24Å; L46-V67 HydrophobicContact CD2-CG2 4.41Å; V65-V67 HydrophobicContact CG1-CG2 4.23Å; V67-F70 HydrophobicContact CG1-CD1 4.3Å; V67-F70 HydrophobicContact CG1-CE1 3.95Å; V67-E175 HydrophobicContact CG2-CB 4.33Å; V67-E176 HydrophobicContact CG1-CG 4.03Å; V67-W179 HydrophobicContact CB-CG 4.25Å; V67-W179 HydrophobicContact CG1-CB 4.28Å; V67-W179 HydrophobicContact CG1-CG 4.13Å; V67-W179 HydrophobicContact CG2-CB 4.11Å; V67-W179 HydrophobicContact CG2-CG 4.3Å
68	L	98	Very high	97.8	Very high	125 Å²	125	47.6 Å²	47.6	65%	0.654	27%	0.268	S	S	*	.			trans	-74.1	157.1	176.3	-64.1	178.9	0	0	0	110.7	F70	L68-F70 WeakPolarHBondContact O-CD1 3.43Å
69	P	98.4	Very high	98	Very high	67 Å²	67	45.1 Å²	45.1	44%	0.435	24%	0.241	S	C	.	.			trans	-59.2	137.9	171.7	-21.5	32.4	0	0	0	112.2	I41 L301	I41-P69 WeakPolarHBondContact O-CA 3.48Å; P69-L301 HydrophobicContact CB-CD1 3.73Å
70	F	98.6	Very high	98.1	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.009	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	178.6	-177.9	70.5	-71.2	0	0	0	110.6	I41 V67 L68 I72 E176 A180 A298	I41-F70 HydrophobicContact CB-CD1 3.92Å; I41-F70 HydrophobicContact CB-CE1 3.62Å; I41-F70 HydrophobicContact CB-CG 4.49Å; I41-F70 HydrophobicContact CB-CZ 3.93Å; I41-F70 HydrophobicContact CG1-CE1 4.23Å; I41-F70 HydrophobicContact CG1-CE2 4.31Å; I41-F70 HydrophobicContact CG1-CZ 4.01Å; I41-F70 HydrophobicContact CG2-CD1 4.17Å; I41-F70 HydrophobicContact CG2-CE1 3.47Å; I41-F70 VanDerWaalsContact CG2-CE1 3.47Å; I41-F70 HydrophobicContact CG2-CZ 3.89Å; I41-F70 PolarHBondContact N-O 3.43Å; I41-F70 PolarHBondContact O-N 2.95Å; V67-F70 HydrophobicContact CG1-CD1 4.3Å; V67-F70 HydrophobicContact CG1-CE1 3.95Å; L68-F70 WeakPolarHBondContact O-CD1 3.43Å; F70-I72 HydrophobicContact CD2-CB 4.33Å; F70-I72 HydrophobicContact CE2-CB 3.76Å; F70-I72 HydrophobicContact CE2-CD1 4.18Å; F70-I72 HydrophobicContact CE2-CG1 4.33Å; F70-I72 HydrophobicContact CE2-CG2 4.46Å; F70-E176 HydrophobicContact CD1-CG 4.18Å; F70-E176 HydrophobicContact CD2-CB 4.38Å; F70-E176 HydrophobicContact CD2-CG 4.27Å; F70-E176 HydrophobicContact CE1-CB 4.08Å; F70-E176 HydrophobicContact CE1-CG 3.97Å; F70-E176 HydrophobicContact CE2-CB 3.72Å; F70-E176 HydrophobicContact CE2-CG 4.06Å; F70-E176 HydrophobicContact CG-CG 4.33Å; F70-E176 HydrophobicContact CZ-CB 3.57Å; F70-E176 HydrophobicContact CZ-CG 3.93Å; F70-E176 WeakPolarHBondContact CZ-O 3.34Å; F70-A180 HydrophobicContact CZ-CB 4.14Å; F70-A298 HydrophobicContact CD2-CB 4.16Å; F70-A298 HydrophobicContact CE2-CB 4.45Å
71	R	98.7	Very high	98.2	Very high	95 Å²	95	44.8 Å²	44.8	36%	0.358	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144.6	168.4	-69.7	-179.7	-62.7	167.7	3.8	109.9	M38 V39 N40 A298 A299 L301	M38-R71 HydrophobicContact CB-CB 4.17Å; M38-R71 HydrophobicContact CE-CB 3.85Å; M38-R71 HydrophobicContact SD-CB 4Å; V39-R71 WeakPolarHBondContact O-CA 3.44Å; N40-R71 WeakPolarHBondContact OD1-CD 3.44Å; N40-R71 WeakPolarHBondContact OD1-CG 3.28Å; R71-A298 CarbonylContact O-C 3.53Å; R71-A298 WeakPolarHBondContact O-CA 3.27Å; R71-A298 WeakPolarHBondContact O-CB 3.37Å; R71-A299 HydrophobicContact CB-CB 4.4Å; R71-A299 PolarHBondContact N-O 3.1Å; R71-A299 PolarHBondContact O-N 3.46Å; R71-L301 HydrophobicContact CG-CD2 3.76Å
72	I	98.8	Very high	98.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.8	172.4	-160	170.9	0	0	0	110.3	M38 V39 I41 F70 K74 P172 A180 L235 R296 C297 A298	M38-I72 CarbonylContact C-O 3.16Å; M38-I72 VanDerWaalsContact CA-O 3.27Å; M38-I72 WeakPolarHBondContact CA-O 3.24Å; V39-I72 PolarHBondContact N-O 3.28Å; V39-I72 PolarHBondContact O-N 3.41Å; V39-I72 VanDerWaalsContact O-N 3.08Å; I41-I72 HydrophobicContact CD1-CG2 3.89Å; I41-I72 HydrophobicContact CG1-CB 4.39Å; I41-I72 HydrophobicContact CG1-CG2 3.64Å; F70-I72 HydrophobicContact CD2-CB 4.33Å; F70-I72 HydrophobicContact CE2-CB 3.76Å; F70-I72 HydrophobicContact CE2-CD1 4.18Å; F70-I72 HydrophobicContact CE2-CG1 4.33Å; F70-I72 HydrophobicContact CE2-CG2 4.46Å; I72-K74 PolarHBondContact O-N 3.01Å; I72-P172 HydrophobicContact CD1-CB 4.18Å; I72-P172 HydrophobicContact CD1-CG 4.42Å; I72-A180 HydrophobicContact CD1-CB 3.97Å; I72-A180 HydrophobicContact CG2-CB 4.19Å; I72-L235 HydrophobicContact CG2-CD1 3.98Å; I72-L235 HydrophobicContact CG2-CD2 3.76Å; I72-R296 HydrophobicContact CD1-CG 4.29Å; I72-R296 HydrophobicContact CG1-CG 4.22Å; I72-C297 WeakPolarHBondContact CG1-O 3.46Å; I72-A298 HydrophobicContact CG1-CB 4.31Å
73	D	98.6	Very high	98.3	Very high	9 Å²	9	40.1 Å²	40.1	5%	0.048	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	135.6	173.5	-69.2	-14.1	0	0	0	110.1	M38 Y75 R296 C297	M38-D73 WeakPolarHBondContact CE-OD1 3.41Å; M38-D73 VanDerWaalsContact CG-OD1 3.29Å; M38-D73 WeakPolarHBondContact CG-OD1 3.32Å; D73-Y75 WeakPolarHBondContact CB-O 3.49Å; D73-Y75 PolarHBondContact O-N 3.34Å; D73-R296 HydrophobicContact CB-CB 4.12Å; D73-R296 PolarHBondContact O-NH1 2.77Å; D73-C297 PolarHBondContact N-O 2.65Å; D73-C297 WeakPolarHBondContact OD2-CA 3.27Å; D73-C297 WeakPolarHBondContact OD2-CB 3.29Å; D73-C297 PolarHBondContact OD2-N 3.22Å
74	K	98.4	Very high	98.4	Very high	35 Å²	35	38.2 Å²	38.2	15%	0.152	20%	0.2	C	C	.	.	S	Bend	trans	-66.8	-29.4	179.8	-174.2	172.4	172.1	-175	0	112.8	E37 V39 I72 G234 Y236 R296	E37-K74 VanDerWaalsContact CD-NZ 3.31Å; E37-K74 HydrophobicContact CG-CD 4.27Å; E37-K74 VanDerWaalsContact O-CB 3.29Å; E37-K74 WeakPolarHBondContact O-CB 3.46Å; E37-K74 PolarHBondContact O-N 2.96Å; E37-K74 IonicContact OE1-NZ 3.78Å; E37-K74 PolarHBondContact OE1-NZ 3.35Å; E37-K74 VanDerWaalsContact OE1-NZ 3.14Å; E37-K74 WeakPolarHBondContact OE2-CD 3.22Å; E37-K74 IonicContact OE2-NZ 3.14Å; E37-K74 PolarHBondContact OE2-NZ 2.96Å; V39-K74 HydrophobicContact CG2-CB 4.17Å; V39-K74 HydrophobicContact CG2-CD 4.45Å; V39-K74 HydrophobicContact CG2-CG 4.32Å; I72-K74 PolarHBondContact O-N 3.01Å; K74-G234 WeakPolarHBondContact CG-O 3.46Å; K74-Y236 HydrophobicContact CG-CD2 3.97Å; K74-Y236 HydrophobicContact CG-CE2 4.33Å; K74-Y236 PolarHBondContact O-N 2.89Å; K74-R296 PolarHBondContact O-NH1 3.18Å
75	Y	98.6	Very high	98.5	Very high	26 Å²	26	35.5 Å²	35.5	10%	0.102	18%	0.177	C	C	.	.	S	Bend	trans	-128.3	156	-176.6	-55.8	-76.8	0	0	0	109.9	D73 V224 A225 Y236	D73-Y75 WeakPolarHBondContact CB-O 3.49Å; D73-Y75 PolarHBondContact O-N 3.34Å; Y75-V224 HydrophobicContact CD1-CB 4.06Å; Y75-V224 HydrophobicContact CD1-CG2 3.79Å; Y75-V224 WeakPolarHBondContact CD1-O 3.41Å; Y75-V224 HydrophobicContact CG-CB 4.4Å; Y75-V224 HydrophobicContact CG-CG2 3.97Å; Y75-A225 HydrophobicContact CE1-CB 3.99Å; Y75-Y236 HydrophobicContact CD1-CD1 4.46Å; Y75-Y236 AromaticContact CD1-CD2 3.99Å; Y75-Y236 HydrophobicContact CD1-CD2 3.99Å; Y75-Y236 AromaticContact CD1-CG 3.8Å; Y75-Y236 HydrophobicContact CD1-CG 3.8Å; Y75-Y236 AromaticContact CE1-CD1 3.82Å; Y75-Y236 HydrophobicContact CE1-CD1 3.82Å; Y75-Y236 AromaticContact CE1-CD2 3.35Å; Y75-Y236 HydrophobicContact CE1-CD2 3.35Å; Y75-Y236 HydrophobicContact CE1-CE1 4.17Å; Y75-Y236 AromaticContact CE1-CE2 3.78Å; Y75-Y236 HydrophobicContact CE1-CE2 3.78Å; Y75-Y236 AromaticContact CE1-CG 3.37Å; Y75-Y236 HydrophobicContact CE1-CG 3.37Å; Y75-Y236 AromaticContact CZ-CD2 3.85Å; Y75-Y236 AromaticContact CZ-CE2 3.92Å
76	P	98.8	Very high	98.5	Very high	3 Å²	3	35 Å²	35	2%	0.019	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-52.4	153.9	159.2	-21.9	31.5	0	0	0	111.8	T78 P151 V224 D237	P76-T78 PolarHBondContact O-N 3.01Å; P76-P151 HydrophobicContact CB-CB 3.97Å; P76-V224 HydrophobicContact CB-CG1 4.06Å; P76-V224 HydrophobicContact CG-CG1 4.12Å; P76-D237 HydrophobicContact CG-CB 4.02Å
77	V	98.8	Very high	98.6	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.018	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-63.5	125.8	175.1	173.6	0	0	0	0	109.3	F82 P151 V152 F163 F295	V77-F82 HydrophobicContact CG1-CB 4.23Å; V77-F82 HydrophobicContact CG1-CD2 4.4Å; V77-P151 CarbonylContact O-C 3.31Å; V77-P151 WeakPolarHBondContact O-CA 3.4Å; V77-V152 HydrophobicContact CB-CG1 4.16Å; V77-V152 HydrophobicContact CG1-CG1 3.93Å; V77-V152 WeakPolarHBondContact O-CG1 3.44Å; V77-V152 PolarHBondContact O-N 3.29Å; V77-F163 HydrophobicContact CB-CE1 4.29Å; V77-F163 HydrophobicContact CB-CZ 4.43Å; V77-F163 HydrophobicContact CG1-CD1 4.32Å; V77-F163 HydrophobicContact CG1-CD2 4.39Å; V77-F163 HydrophobicContact CG1-CE1 3.73Å; V77-F163 HydrophobicContact CG1-CE2 3.82Å; V77-F163 HydrophobicContact CG1-CZ 3.44Å; V77-F163 VanDerWaalsContact CG1-CZ 3.44Å; V77-F163 HydrophobicContact CG2-CD1 4.04Å; V77-F163 HydrophobicContact CG2-CE1 3.5Å; V77-F163 HydrophobicContact CG2-CZ 4.06Å; V77-F295 HydrophobicContact CB-CE1 4.29Å; V77-F295 HydrophobicContact CB-CE2 4.14Å; V77-F295 HydrophobicContact CB-CZ 3.96Å; V77-F295 HydrophobicContact CG1-CZ 4.05Å; V77-F295 HydrophobicContact CG2-CD2 3.96Å; V77-F295 HydrophobicContact CG2-CE2 3.54Å; V77-F295 HydrophobicContact CG2-CZ 3.86Å; V77-F295 PolarHBondContact N-O 2.81Å
78	T	98.8	Very high	98.6	Very high	8 Å²	8	36.2 Å²	36.2	5%	0.049	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-88.2	159.5	-178.5	65	0	0	0	0	112.8	P76 S80 I81 F82 L148 F150 V224	P76-T78 PolarHBondContact O-N 3.01Å; T78-S80 PolarHBondContact O-N 3.13Å; T78-I81 PolarHBondContact O-N 3.47Å; T78-F82 WeakPolarHBondContact O-CB 3.44Å; T78-F82 PolarHBondContact O-N 2.92Å; T78-L148 WeakPolarHBondContact CB-O 3.34Å; T78-F150 CarbonylContact C-O 3.38Å; T78-F150 WeakPolarHBondContact CA-O 3.25Å; T78-F150 WeakPolarHBondContact CB-O 3.29Å; T78-V224 HydrophobicContact CG2-CB 4.39Å; T78-V224 HydrophobicContact CG2-CG1 3.8Å; T78-V224 HydrophobicContact CG2-CG2 3.69Å
79	N	98.8	Very high	98.6	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.027	18%	0.177	C	C	.	.	H	α-helix	trans	-51.3	-36.7	171.5	-79.7	-43.4	0	0	0	113.1	R83 I144 R147 F150	N79-R83 VanDerWaalsContact O-CB 3.23Å; N79-R83 WeakPolarHBondContact O-CB 3.43Å; N79-R83 PolarHBondContact O-N 2.91Å; N79-I144 HydrophobicContact CB-CB 4.37Å; N79-I144 HydrophobicContact CB-CD1 4.09Å; N79-R147 WeakPolarHBondContact CB-O 3.49Å; N79-R147 PolarHBondContact ND2-O 3.41Å; N79-F150 PolarHBondContact N-O 3.33Å
80	S	98.4	Very high	98.6	Very high	34 Å²	34	40.4 Å²	40.4	24%	0.238	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-52.3	178.4	-167.6	0	0	0	0	112.2	T78 R83 D84 L148	T78-S80 PolarHBondContact O-N 3.13Å; S80-R83 WeakPolarHBondContact O-CB 3.41Å; S80-R83 PolarHBondContact O-N 2.96Å; S80-D84 PolarHBondContact O-N 2.87Å; S80-L148 WeakPolarHBondContact CB-O 3.31Å; S80-L148 PolarHBondContact N-O 3.37Å
81	I	97.9	Very high	98.6	Very high	18 Å²	18	42.8 Å²	42.8	9%	0.092	20%	0.2	C	C	.	.	H	α-helix	trans	-71.4	-37.8	-178	-45.3	173.2	0	0	0	110.5	A35 G36 T78 R83 D84 F85 F163 W166	A35-I81 HydrophobicContact CB-CD1 3.4Å; A35-I81 HydrophobicContact CB-CG1 3.43Å; A35-I81 VanDerWaalsContact CB-CG1 3.43Å; G36-I81 VanDerWaalsContact N-CD1 3.34Å; T78-I81 PolarHBondContact O-N 3.47Å; I81-R83 VanDerWaalsContact C-N 3.26Å; I81-R83 PolarHBondContact O-N 3.13Å; I81-D84 WeakPolarHBondContact O-CB 3.49Å; I81-D84 PolarHBondContact O-N 3.37Å; I81-F85 PolarHBondContact O-N 2.95Å; I81-F163 HydrophobicContact CB-CE2 4.48Å; I81-F163 HydrophobicContact CB-CZ 4.19Å; I81-F163 HydrophobicContact CG2-CE2 4Å; I81-F163 HydrophobicContact CG2-CZ 3.6Å; I81-W166 HydrophobicContact CG2-CZ3 4.41Å
82	F	98.8	Very high	98.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.5	-36.8	176.8	-163.2	-93.9	0	0	0	111.9	V77 T78 D84 F85 V86 T93 W134 V152 V155 F163 F295	V77-F82 HydrophobicContact CG1-CB 4.23Å; V77-F82 HydrophobicContact CG1-CD2 4.4Å; T78-F82 WeakPolarHBondContact O-CB 3.44Å; T78-F82 PolarHBondContact O-N 2.92Å; F82-D84 VanDerWaalsContact C-N 3.29Å; F82-D84 PolarHBondContact O-N 3.48Å; F82-F85 HydrophobicContact CD2-CD1 4.2Å; F82-F85 AromaticContact CE2-CD1 3.93Å; F82-F85 HydrophobicContact CE2-CD1 3.93Å; F82-F85 HydrophobicContact CE2-CE1 4.13Å; F82-F85 HydrophobicContact CZ-CD1 4.11Å; F82-F85 HydrophobicContact CZ-CE1 4.16Å; F82-F85 WeakPolarHBondContact O-CB 3.45Å; F82-F85 PolarHBondContact O-N 2.94Å; F82-V86 HydrophobicContact CD1-CG2 3.94Å; F82-V86 HydrophobicContact CE1-CG2 3.7Å; F82-V86 HydrophobicContact CZ-CG2 4.47Å; F82-V86 WeakPolarHBondContact O-CG2 3.36Å; F82-V86 PolarHBondContact O-N 2.78Å; F82-T93 HydrophobicContact CE1-CG2 3.87Å; F82-T93 HydrophobicContact CZ-CG2 3.83Å; F82-W134 AromaticContact CD1-CD2 3.67Å; F82-W134 HydrophobicContact CD1-CD2 3.67Å; F82-W134 AromaticContact CD1-CE2 3.96Å; F82-W134 AromaticContact CD1-CE3 3.84Å; F82-W134 HydrophobicContact CD1-CE3 3.84Å; F82-W134 AromaticContact CD1-CG 3.98Å; F82-W134 HydrophobicContact CD1-CG 3.98Å; F82-W134 HydrophobicContact CD1-CZ2 4.37Å; F82-W134 HydrophobicContact CD1-CZ3 4.27Å; F82-W134 HydrophobicContact CE1-CB 4.37Å; F82-W134 AromaticContact CE1-CD1 3.81Å; F82-W134 AromaticContact CE1-CD2 3.87Å; F82-W134 HydrophobicContact CE1-CD2 3.87Å; F82-W134 AromaticContact CE1-CE2 3.97Å; F82-W134 AromaticContact CE1-CG 3.78Å; F82-W134 HydrophobicContact CE1-CG 3.78Å; F82-W134 AromaticContact CE1-NE1 3.93Å; F82-V152 HydrophobicContact CB-CB 3.97Å; F82-V152 HydrophobicContact CB-CG1 4.1Å; F82-V152 HydrophobicContact CB-CG2 3.82Å; F82-V152 HydrophobicContact CD1-CG2 3.73Å; F82-V152 HydrophobicContact CD2-CG1 3.93Å; F82-V152 HydrophobicContact CD2-CG2 4.19Å; F82-V152 HydrophobicContact CE1-CG2 4.32Å; F82-V152 HydrophobicContact CG-CB 4.17Å; F82-V152 HydrophobicContact CG-CG1 4.08Å; F82-V152 HydrophobicContact CG-CG2 3.64Å; F82-V155 HydrophobicContact CE1-CG1 4.2Å; F82-V155 HydrophobicContact CE2-CG1 3.91Å; F82-V155 HydrophobicContact CZ-CG1 3.71Å; F82-F163 HydrophobicContact CB-CE2 4.44Å; F82-F163 HydrophobicContact CD2-CB 4.46Å; F82-F163 AromaticContact CD2-CD2 3.55Å; F82-F163 HydrophobicContact CD2-CD2 3.55Å; F82-F163 HydrophobicContact CD2-CE2 4.11Å; F82-F163 HydrophobicContact CD2-CG 4.19Å; F82-F163 HydrophobicContact CE2-CB 4.2Å; F82-F163 HydrophobicContact CE2-CD2 4.06Å; F82-F163 HydrophobicContact CE2-CG 4.42Å; F82-F163 HydrophobicContact CG-CD2 4.41Å; F82-F295 HydrophobicContact CD2-CE1 4.39Å; F82-F295 HydrophobicContact CD2-CZ 4.24Å; F82-F295 HydrophobicContact CE2-CE1 4.32Å; F82-F295 HydrophobicContact CE2-CZ 4.28Å
83	R	98.7	Very high	98.6	Very high	54 Å²	54	43.7 Å²	43.7	20%	0.204	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-37.9	171.5	-179.3	-172	69.5	-173.8	-3.2	112.3	N79 S80 I81 V86 R87 W134	N79-R83 VanDerWaalsContact O-CB 3.23Å; N79-R83 WeakPolarHBondContact O-CB 3.43Å; N79-R83 PolarHBondContact O-N 2.91Å; S80-R83 WeakPolarHBondContact O-CB 3.41Å; S80-R83 PolarHBondContact O-N 2.96Å; I81-R83 VanDerWaalsContact C-N 3.26Å; I81-R83 PolarHBondContact O-N 3.13Å; R83-V86 PolarHBondContact O-N 3.29Å; R83-R87 WeakPolarHBondContact O-CB 3.49Å; R83-R87 VanDerWaalsContact O-CG 3.24Å; R83-R87 WeakPolarHBondContact O-CG 3.41Å; R83-R87 PolarHBondContact O-N 2.78Å; R83-W134 HydrophobicContact CB-CH2 3.7Å; R83-W134 HydrophobicContact CB-CZ3 3.88Å; R83-W134 HydrophobicContact CG-CH2 4.04Å
84	D	98.5	Very high	98.6	Very high	67 Å²	67	45.4 Å²	45.4	36%	0.358	21%	0.214	S	C	.	.	H	α-helix	trans	-69	-40.6	178.5	-64.5	-20.1	0	0	0	111.5	S80 I81 F82 R87 A88	S80-D84 PolarHBondContact O-N 2.87Å; I81-D84 WeakPolarHBondContact O-CB 3.49Å; I81-D84 PolarHBondContact O-N 3.37Å; F82-D84 VanDerWaalsContact C-N 3.29Å; F82-D84 PolarHBondContact O-N 3.48Å; D84-R87 PolarHBondContact O-N 3.14Å; D84-R87 IonicContact OD1-NH1 2.73Å; D84-A88 WeakPolarHBondContact O-CB 3.41Å; D84-A88 PolarHBondContact O-N 3.38Å
85	F	98.6	Very high	98.6	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.018	21%	0.208	C	C	.	.	H	α-helix	trans	-55.2	-53.3	169.1	162.9	-117.9	0	0	0	111.8	I81 F82 R87 A88 E89 Y91 E162 F163 W166	I81-F85 PolarHBondContact O-N 2.95Å; F82-F85 HydrophobicContact CD2-CD1 4.2Å; F82-F85 AromaticContact CE2-CD1 3.93Å; F82-F85 HydrophobicContact CE2-CD1 3.93Å; F82-F85 HydrophobicContact CE2-CE1 4.13Å; F82-F85 HydrophobicContact CZ-CD1 4.11Å; F82-F85 HydrophobicContact CZ-CE1 4.16Å; F82-F85 WeakPolarHBondContact O-CB 3.45Å; F82-F85 PolarHBondContact O-N 2.94Å; F85-R87 VanDerWaalsContact C-N 3.26Å; F85-R87 PolarHBondContact O-N 3.34Å; F85-A88 PolarHBondContact O-N 3.5Å; F85-A88 VanDerWaalsContact O-N 3.17Å; F85-E89 HydrophobicContact CD2-CB 4.26Å; F85-E89 HydrophobicContact CD2-CG 3.75Å; F85-E89 HydrophobicContact CE2-CB 4.03Å; F85-E89 HydrophobicContact CE2-CG 3.67Å; F85-E89 PolarHBondContact O-N 2.84Å; F85-Y91 HydrophobicContact CD1-CD1 4.42Å; F85-Y91 HydrophobicContact CD1-CG 4.5Å; F85-Y91 AromaticContact CE1-CD1 3.38Å; F85-Y91 HydrophobicContact CE1-CD1 3.38Å; F85-Y91 HydrophobicContact CE1-CD2 4.1Å; F85-Y91 AromaticContact CE1-CE1 4Å; F85-Y91 HydrophobicContact CE1-CE1 4Å; F85-Y91 AromaticContact CE1-CG 3.44Å; F85-Y91 HydrophobicContact CE1-CG 3.44Å; F85-Y91 VanDerWaalsContact CE1-CG 3.44Å; F85-Y91 HydrophobicContact CE2-CG 4.38Å; F85-Y91 AromaticContact CZ-CD1 3.77Å; F85-Y91 HydrophobicContact CZ-CD1 3.77Å; F85-Y91 AromaticContact CZ-CD2 3.58Å; F85-Y91 HydrophobicContact CZ-CD2 3.58Å; F85-Y91 HydrophobicContact CZ-CE1 4.3Å; F85-Y91 HydrophobicContact CZ-CE2 4.15Å; F85-Y91 AromaticContact CZ-CG 3.37Å; F85-Y91 HydrophobicContact CZ-CG 3.37Å; F85-E162 HydrophobicContact CZ-CB 4.22Å; F85-F163 HydrophobicContact CB-CD2 3.5Å; F85-F163 VanDerWaalsContact CB-CD2 3.5Å; F85-F163 HydrophobicContact CB-CE2 3.67Å; F85-F163 HydrophobicContact CD1-CB 4.2Å; F85-F163 AromaticContact CD1-CD2 3.67Å; F85-F163 HydrophobicContact CD1-CD2 3.67Å; F85-F163 HydrophobicContact CD1-CG 4.42Å; F85-F163 HydrophobicContact CD2-CD2 4.38Å; F85-F163 HydrophobicContact CE1-CB 4.15Å; F85-F163 HydrophobicContact CE1-CD2 4.45Å; F85-F163 AromaticContact CG-CD2 3.6Å; F85-F163 HydrophobicContact CG-CD2 3.6Å; F85-F163 HydrophobicContact CG-CE2 4.29Å; F85-F163 HydrophobicContact CG-CG 4.46Å; F85-F163 HydrophobicContact CZ-CB 4.44Å; F85-W166 HydrophobicContact CB-CD2 4.17Å; F85-W166 HydrophobicContact CB-CE3 3.71Å; F85-W166 HydrophobicContact CB-CH2 4.21Å; F85-W166 HydrophobicContact CB-CZ3 3.72Å; F85-W166 HydrophobicContact CD2-CB 3.72Å; F85-W166 AromaticContact CD2-CD2 3.67Å; F85-W166 HydrophobicContact CD2-CD2 3.67Å; F85-W166 AromaticContact CD2-CE3 3.87Å; F85-W166 HydrophobicContact CD2-CE3 3.87Å; F85-W166 AromaticContact CD2-CG 3.59Å; F85-W166 HydrophobicContact CD2-CG 3.59Å; F85-W166 HydrophobicContact CE2-CB 3.78Å; F85-W166 HydrophobicContact CE2-CG 4.09Å; F85-W166 HydrophobicContact CG-CD2 4.38Å; F85-W166 HydrophobicContact CG-CE3 4.18Å
86	V	98.8	Very high	98.6	Very high	12 Å²	12	44.6 Å²	44.6	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-36.3	179.7	169.6	0	0	0	0	111.7	F82 R83 K90 Y91 W134	F82-V86 HydrophobicContact CD1-CG2 3.94Å; F82-V86 HydrophobicContact CE1-CG2 3.7Å; F82-V86 HydrophobicContact CZ-CG2 4.47Å; F82-V86 WeakPolarHBondContact O-CG2 3.36Å; F82-V86 PolarHBondContact O-N 2.78Å; R83-V86 PolarHBondContact O-N 3.29Å; V86-K90 WeakPolarHBondContact O-CA 3.46Å; V86-K90 PolarHBondContact O-N 3.34Å; V86-Y91 WeakPolarHBondContact CG1-O 3.2Å; V86-Y91 PolarHBondContact O-N 3Å; V86-W134 HydrophobicContact CB-CZ2 3.89Å; V86-W134 HydrophobicContact CG1-CZ2 3.93Å; V86-W134 HydrophobicContact CG2-CH2 4.49Å; V86-W134 HydrophobicContact CG2-CZ2 3.69Å
87	R	98.6	Very high	98.6	Very high	137 Å²	137	48.7 Å²	48.7	52%	0.517	24%	0.237	S	C	.	.	H	α-helix	trans	-67.6	-41	176.9	-78.7	170.1	172.2	176.5	-4.6	112.6	R83 D84 F85 K90	R83-R87 WeakPolarHBondContact O-CB 3.49Å; R83-R87 VanDerWaalsContact O-CG 3.24Å; R83-R87 WeakPolarHBondContact O-CG 3.41Å; R83-R87 PolarHBondContact O-N 2.78Å; D84-R87 PolarHBondContact O-N 3.14Å; D84-R87 IonicContact OD1-NH1 2.73Å; F85-R87 VanDerWaalsContact C-N 3.26Å; F85-R87 PolarHBondContact O-N 3.34Å; R87-K90 PolarHBondContact O-NZ 3.43Å
88	A	98.6	Very high	98.6	Very high	57 Å²	57	53.3 Å²	53.3	47%	0.471	26%	0.257	S	S	.	.	H	α-helix	trans	-70.1	-53.6	-179.6	0	0	0	0	0	111.3	D84 F85 W166	D84-A88 WeakPolarHBondContact O-CB 3.41Å; D84-A88 PolarHBondContact O-N 3.38Å; F85-A88 PolarHBondContact O-N 3.5Å; F85-A88 VanDerWaalsContact O-N 3.17Å; A88-W166 HydrophobicContact CB-CZ2 4.15Å
89	E	98.5	Very high	98.6	Very high	111 Å²	111	54.4 Å²	54.4	52%	0.519	27%	0.271	S	S	.	.	H	α-helix	trans	-89.9	-6.5	-171.8	-62.1	-56	130.8	0	0	113.6	F85 Y91 W166	F85-E89 HydrophobicContact CD2-CB 4.26Å; F85-E89 HydrophobicContact CD2-CG 3.75Å; F85-E89 HydrophobicContact CE2-CB 4.03Å; F85-E89 HydrophobicContact CE2-CG 3.67Å; F85-E89 PolarHBondContact O-N 2.84Å; E89-Y91 PolarHBondContact O-N 2.99Å; E89-W166 HydrophobicContact CG-CG 4.16Å; E89-W166 PolarHBondContact OE1-NE1 2.98Å
90	K	98.4	Very high	98.5	Very high	169 Å²	169	59 Å²	59	74%	0.735	29%	0.288	S	S	*	.			trans	52	33.4	-167.8	-51.5	-54.6	-178.3	-156.3	0	111.7	V86 R87	V86-K90 WeakPolarHBondContact O-CA 3.46Å; V86-K90 PolarHBondContact O-N 3.34Å; R87-K90 PolarHBondContact O-NZ 3.43Å
91	Y	98.7	Very high	98.5	Very high	52 Å²	52	57.5 Å²	57.5	20%	0.204	28%	0.277	C	S	.	.			trans	-67.3	141.1	-174	-171.4	-96.3	0	0	0	111.4	F85 V86 E89 T93 D159 E162	F85-Y91 HydrophobicContact CD1-CD1 4.42Å; F85-Y91 HydrophobicContact CD1-CG 4.5Å; F85-Y91 AromaticContact CE1-CD1 3.38Å; F85-Y91 HydrophobicContact CE1-CD1 3.38Å; F85-Y91 HydrophobicContact CE1-CD2 4.1Å; F85-Y91 AromaticContact CE1-CE1 4Å; F85-Y91 HydrophobicContact CE1-CE1 4Å; F85-Y91 AromaticContact CE1-CG 3.44Å; F85-Y91 HydrophobicContact CE1-CG 3.44Å; F85-Y91 VanDerWaalsContact CE1-CG 3.44Å; F85-Y91 HydrophobicContact CE2-CG 4.38Å; F85-Y91 AromaticContact CZ-CD1 3.77Å; F85-Y91 HydrophobicContact CZ-CD1 3.77Å; F85-Y91 AromaticContact CZ-CD2 3.58Å; F85-Y91 HydrophobicContact CZ-CD2 3.58Å; F85-Y91 HydrophobicContact CZ-CE1 4.3Å; F85-Y91 HydrophobicContact CZ-CE2 4.15Å; F85-Y91 AromaticContact CZ-CG 3.37Å; F85-Y91 HydrophobicContact CZ-CG 3.37Å; V86-Y91 WeakPolarHBondContact CG1-O 3.2Å; V86-Y91 PolarHBondContact O-N 3Å; E89-Y91 PolarHBondContact O-N 2.99Å; Y91-T93 HydrophobicContact CD1-CG2 4.33Å; Y91-T93 HydrophobicContact CE1-CG2 4.12Å; Y91-D159 HydrophobicContact CE1-CB 4.23Å; Y91-D159 VanDerWaalsContact CE1-OD1 3.25Å; Y91-D159 WeakPolarHBondContact CE1-OD1 3.25Å; Y91-D159 WeakPolarHBondContact OH-CA 3.25Å; Y91-D159 PolarHBondContact OH-OD1 3.42Å; Y91-E162 HydrophobicContact CE2-CB 3.87Å; Y91-E162 HydrophobicContact CE2-CG 4.02Å
92	K	98.8	Very high	98.5	Very high	114 Å²	114	58.8 Å²	58.8	50%	0.496	28%	0.282	S	S	.	.			trans	-120.4	122.6	176.2	-176.4	-178.5	-179.7	-166.5	0	107.8	E96	K92-E96 HydrophobicContact CD-CB 4.27Å; K92-E96 WeakPolarHBondContact CE-O 3.42Å; K92-E96 HydrophobicContact CG-CB 3.55Å; K92-E96 HydrophobicContact CG-CG 4.45Å; K92-E96 PolarHBondContact NZ-O 2.65Å; K92-E96 VanDerWaalsContact NZ-O 3.1Å
93	T	98.9	Very high	98.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.282	C	S	.	.			trans	-69.7	165	-176.8	68.9	0	0	0	0	112.7	F82 Y91 A95 E96 T97 W134 D159	F82-T93 HydrophobicContact CE1-CG2 3.87Å; F82-T93 HydrophobicContact CZ-CG2 3.83Å; Y91-T93 HydrophobicContact CD1-CG2 4.33Å; Y91-T93 HydrophobicContact CE1-CG2 4.12Å; T93-A95 VanDerWaalsContact C-N 3.32Å; T93-A95 PolarHBondContact O-N 3.14Å; T93-E96 PolarHBondContact N-OE2 3.03Å; T93-E96 WeakPolarHBondContact O-CB 3.43Å; T93-E96 PolarHBondContact O-N 2.79Å; T93-E96 WeakPolarHBondContact OG1-CG 3.24Å; T93-E96 PolarHBondContact OG1-N 2.87Å; T93-E96 PolarHBondContact OG1-OE2 2.94Å; T93-T97 PolarHBondContact O-N 3.21Å; T93-T97 PolarHBondContact O-OG1 2.83Å; T93-W134 HydrophobicContact CG2-CG 4.49Å; T93-D159 VanDerWaalsContact CA-OD1 3.31Å; T93-D159 WeakPolarHBondContact CA-OD1 3.14Å; T93-D159 WeakPolarHBondContact CB-OD2 3.24Å
94	E	98.8	Very high	98.4	Very high	44 Å²	44	56.2 Å²	56.2	21%	0.206	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-39.1	173.7	-71.8	-167.4	117.3	0	0	111.6	E96 T97 F98 S156 N158 D159 D287	E94-E96 VanDerWaalsContact C-N 3.31Å; E94-E96 PolarHBondContact O-N 3.32Å; E94-T97 CarbonylContact O-C 3.57Å; E94-T97 WeakPolarHBondContact O-CA 3.33Å; E94-T97 WeakPolarHBondContact O-CB 3.27Å; E94-T97 PolarHBondContact O-N 3.49Å; E94-F98 HydrophobicContact CB-CD2 4.28Å; E94-F98 HydrophobicContact CB-CE2 3.86Å; E94-F98 HydrophobicContact CB-CZ 4.46Å; E94-F98 VanDerWaalsContact O-CD2 3.26Å; E94-F98 WeakPolarHBondContact O-CD2 3.31Å; E94-F98 WeakPolarHBondContact O-CG 3.43Å; E94-F98 PolarHBondContact O-N 3.45Å; E94-S156 WeakPolarHBondContact OE2-CB 3.47Å; E94-S156 PolarHBondContact OE2-OG 3.26Å; E94-N158 PolarHBondContact OE1-ND2 2.95Å; E94-N158 WeakPolarHBondContact OE2-CB 3.16Å; E94-N158 PolarHBondContact OE2-ND2 2.68Å; E94-D159 PolarHBondContact N-OD1 3.25Å; E94-D159 VanDerWaalsContact N-OD1 3.15Å; E94-D159 PolarHBondContact N-OD2 3.15Å; E94-D287 WeakPolarHBondContact OE2-CA 3.45Å
95	A	98.8	Very high	98.3	Very high	2 Å²	2	54.6 Å²	54.6	2%	0.017	26%	0.263	C	S	.	.	H	α-helix	trans	-57.9	-40.8	172.3	0	0	0	0	0	112.6	T93 T97 G99 W100 F133 H154	T93-A95 VanDerWaalsContact C-N 3.32Å; T93-A95 PolarHBondContact O-N 3.14Å; A95-T97 VanDerWaalsContact C-N 3.26Å; A95-T97 PolarHBondContact O-N 3.28Å; A95-G99 WeakPolarHBondContact O-CA 3.22Å; A95-G99 PolarHBondContact O-N 2.96Å; A95-W100 PolarHBondContact O-N 3.03Å; A95-F133 HydrophobicContact CB-CB 4.08Å; A95-H154 HydrophobicContact CB-CB 4.44Å
96	E	98.6	Very high	98.2	Very high	42 Å²	42	57.4 Å²	57.4	20%	0.196	28%	0.278	C	S	.	.	H	α-helix	trans	-67.2	-27.6	173.7	-70.5	177	93.7	0	0	112.5	K92 T93 E94 F133 W134	K92-E96 HydrophobicContact CD-CB 4.27Å; K92-E96 WeakPolarHBondContact CE-O 3.42Å; K92-E96 HydrophobicContact CG-CB 3.55Å; K92-E96 HydrophobicContact CG-CG 4.45Å; K92-E96 PolarHBondContact NZ-O 2.65Å; K92-E96 VanDerWaalsContact NZ-O 3.1Å; T93-E96 PolarHBondContact N-OE2 3.03Å; T93-E96 WeakPolarHBondContact O-CB 3.43Å; T93-E96 PolarHBondContact O-N 2.79Å; T93-E96 WeakPolarHBondContact OG1-CG 3.24Å; T93-E96 PolarHBondContact OG1-N 2.87Å; T93-E96 PolarHBondContact OG1-OE2 2.94Å; E94-E96 VanDerWaalsContact C-N 3.31Å; E94-E96 PolarHBondContact O-N 3.32Å; E96-F133 HydrophobicContact CG-CB 3.83Å; E96-F133 HydrophobicContact CG-CD1 4.18Å; E96-F133 HydrophobicContact CG-CD2 3.49Å; E96-F133 VanDerWaalsContact CG-CD2 3.49Å; E96-F133 HydrophobicContact CG-CE2 4.01Å; E96-F133 HydrophobicContact CG-CG 3.6Å; E96-W134 PolarHBondContact OE2-NE1 3.4Å
97	T	98.5	Very high	98.1	Very high	89 Å²	89	59.7 Å²	59.7	55%	0.546	29%	0.287	S	S	.	.	H	α-helix	trans	-81.2	-43.8	-179.7	-61.1	0	0	0	0	111.8	T93 E94 A95 G99	T93-T97 PolarHBondContact O-N 3.21Å; T93-T97 PolarHBondContact O-OG1 2.83Å; E94-T97 CarbonylContact O-C 3.57Å; E94-T97 WeakPolarHBondContact O-CA 3.33Å; E94-T97 WeakPolarHBondContact O-CB 3.27Å; E94-T97 PolarHBondContact O-N 3.49Å; A95-T97 VanDerWaalsContact C-N 3.26Å; A95-T97 PolarHBondContact O-N 3.28Å; T97-G99 VanDerWaalsContact C-N 3.27Å
98	F	98.1	Very high	98	Very high	100 Å²	100	53.4 Å²	53.4	44%	0.439	26%	0.264	S	S	.	.	H	α-helix	trans	-69.5	-27.1	171.3	-59.8	-41.3	0	0	0	112.2	E94 D287	E94-F98 HydrophobicContact CB-CD2 4.28Å; E94-F98 HydrophobicContact CB-CE2 3.86Å; E94-F98 HydrophobicContact CB-CZ 4.46Å; E94-F98 VanDerWaalsContact O-CD2 3.26Å; E94-F98 WeakPolarHBondContact O-CD2 3.31Å; E94-F98 WeakPolarHBondContact O-CG 3.43Å; E94-F98 PolarHBondContact O-N 3.45Å; F98-D287 HydrophobicContact CE2-CB 3.98Å; F98-D287 HydrophobicContact CZ-CB 4.04Å
99	G	97.9	Very high	97.8	Very high	32 Å²	32	53.5 Å²	53.5	33%	0.33	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	10.1	178	0	0	0	0	0	114	A95 T97 E130 R131	A95-G99 WeakPolarHBondContact O-CA 3.22Å; A95-G99 PolarHBondContact O-N 2.96Å; T97-G99 VanDerWaalsContact C-N 3.27Å; G99-E130 CarbonylContact O-C 3.44Å; G99-E130 WeakPolarHBondContact O-CA 3.39Å; G99-R131 PolarHBondContact O-N 2.86Å
100	W	97.6	Very high	97.6	Very high	101 Å²	101	54.6 Å²	54.6	38%	0.383	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	163.7	179.3	67.5	-85.4	0	0	0	111.1	A95 F102 P128 I129	A95-W100 PolarHBondContact O-N 3.03Å; W100-F102 HydrophobicContact CH2-CE1 4.42Å; W100-F102 AromaticContact CH2-CE2 3.78Å; W100-F102 HydrophobicContact CH2-CE2 3.78Å; W100-F102 AromaticContact CH2-CZ 3.69Å; W100-F102 HydrophobicContact CH2-CZ 3.69Å; W100-F102 HydrophobicContact CZ3-CD1 4.2Å; W100-F102 AromaticContact CZ3-CD2 3.97Å; W100-F102 HydrophobicContact CZ3-CD2 3.97Å; W100-F102 AromaticContact CZ3-CE1 3.82Å; W100-F102 HydrophobicContact CZ3-CE1 3.82Å; W100-F102 AromaticContact CZ3-CE2 3.58Å; W100-F102 HydrophobicContact CZ3-CE2 3.58Å; W100-F102 HydrophobicContact CZ3-CG 4.26Å; W100-F102 AromaticContact CZ3-CZ 3.49Å; W100-F102 HydrophobicContact CZ3-CZ 3.49Å; W100-F102 VanDerWaalsContact CZ3-CZ 3.49Å; W100-P128 HydrophobicContact CD2-CB 4.48Å; W100-P128 HydrophobicContact CE3-CB 3.67Å; W100-P128 HydrophobicContact CZ3-CB 3.85Å; W100-I129 VanDerWaalsContact CA-O 3.27Å; W100-I129 WeakPolarHBondContact CA-O 3.43Å; W100-I129 WeakPolarHBondContact CB-O 3.41Å
101	S	98.4	Very high	97.3	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	168.5	170.7	-172.1	0	0	0	0	110.1	I129 A132 H154 A289	S101-I129 PolarHBondContact N-O 2.84Å; S101-I129 PolarHBondContact O-N 2.91Å; S101-A132 VanDerWaalsContact CB-O 3.27Å; S101-A132 WeakPolarHBondContact CB-O 3.11Å; S101-H154 WeakPolarHBondContact CB-ND1 3.15Å; S101-H154 PolarHBondContact OG-ND1 2.85Å; S101-A289 VanDerWaalsContact OG-C 3.28Å; S101-A289 PolarHBondContact OG-O 3.29Å
102	F	98.1	Very high	97	Very high	44 Å²	44	51.5 Å²	51.5	19%	0.193	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	131.2	177.9	-71	-67.9	0	0	0	111.9	W100 I120 W126 L127 P128 H154 A289 S290 D291	W100-F102 HydrophobicContact CH2-CE1 4.42Å; W100-F102 AromaticContact CH2-CE2 3.78Å; W100-F102 HydrophobicContact CH2-CE2 3.78Å; W100-F102 AromaticContact CH2-CZ 3.69Å; W100-F102 HydrophobicContact CH2-CZ 3.69Å; W100-F102 HydrophobicContact CZ3-CD1 4.2Å; W100-F102 AromaticContact CZ3-CD2 3.97Å; W100-F102 HydrophobicContact CZ3-CD2 3.97Å; W100-F102 AromaticContact CZ3-CE1 3.82Å; W100-F102 HydrophobicContact CZ3-CE1 3.82Å; W100-F102 AromaticContact CZ3-CE2 3.58Å; W100-F102 HydrophobicContact CZ3-CE2 3.58Å; W100-F102 HydrophobicContact CZ3-CG 4.26Å; W100-F102 AromaticContact CZ3-CZ 3.49Å; W100-F102 HydrophobicContact CZ3-CZ 3.49Å; W100-F102 VanDerWaalsContact CZ3-CZ 3.49Å; F102-I120 HydrophobicContact CD1-CD1 4.25Å; F102-I120 HydrophobicContact CE1-CD1 3.58Å; F102-I120 HydrophobicContact CE1-CG1 4.03Å; F102-I120 HydrophobicContact CE2-CD1 4.33Å; F102-I120 HydrophobicContact CZ-CD1 3.63Å; F102-I120 HydrophobicContact CZ-CG1 4.26Å; F102-W126 HydrophobicContact CB-CE3 4.11Å; F102-W126 HydrophobicContact CD1-CB 4.04Å; F102-W126 HydrophobicContact CG-CB 4.5Å; F102-L127 WeakPolarHBondContact CA-O 3.47Å; F102-P128 HydrophobicContact CD1-CB 4.47Å; F102-P128 HydrophobicContact CE1-CB 4.16Å; F102-H154 PolarHBondContact O-CE1 3.26Å; F102-H154 VanDerWaalsContact O-CE1 3.25Å; F102-A289 PolarHBondContact N-O 3.37Å; F102-S290 WeakPolarHBondContact O-CA 3.23Å; F102-D291 PolarHBondContact O-N 2.86Å
103	V	98.3	Very high	96.7	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139	175.8	-173.7	0	0	0	0	108.8	F107 V108 L127 I129 A132 P137 D291	V103-F107 HydrophobicContact CG1-CB 4.09Å; V103-V108 HydrophobicContact CB-CG2 3.8Å; V103-V108 HydrophobicContact CG1-CG2 3.59Å; V103-L127 PolarHBondContact N-O 2.58Å; V103-L127 PolarHBondContact O-N 2.74Å; V103-I129 HydrophobicContact CB-CB 4.42Å; V103-I129 HydrophobicContact CB-CG1 3.79Å; V103-I129 HydrophobicContact CG2-CB 3.81Å; V103-I129 HydrophobicContact CG2-CG1 3.75Å; V103-A132 HydrophobicContact CG2-CB 3.55Å; V103-P137 WeakPolarHBondContact CG2-O 3.26Å; V103-D291 WeakPolarHBondContact CA-OD2 3.16Å
104	F	98	Very high	96.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	136.7	176.4	-173.6	-102.7	0	0	0	110.3	D106 F107 W125 W126 W204 F208 P209 W264 I265 D291	F104-D106 HydrophobicContact CD1-CB 3.86Å; F104-D106 HydrophobicContact CE1-CB 3.79Å; F104-D106 PolarHBondContact O-N 3.12Å; F104-F107 HydrophobicContact CB-CD2 4.13Å; F104-F107 HydrophobicContact CB-CE2 4.41Å; F104-F107 PolarHBondContact O-N 2.85Å; F104-W125 HydrophobicContact CD2-CB 4.17Å; F104-W125 AromaticContact CD2-CD1 3.82Å; F104-W125 HydrophobicContact CD2-CG 4.31Å; F104-W125 HydrophobicContact CE2-CB 3.73Å; F104-W125 AromaticContact CE2-CD1 3.7Å; F104-W125 AromaticContact CE2-CG 3.88Å; F104-W125 HydrophobicContact CE2-CG 3.88Å; F104-W125 HydrophobicContact CZ-CB 4.48Å; F104-W126 HydrophobicContact CB-CE3 4.32Å; F104-W126 HydrophobicContact CB-CH2 4.27Å; F104-W126 HydrophobicContact CB-CZ3 3.81Å; F104-W204 HydrophobicContact CE1-CH2 4.28Å; F104-W204 HydrophobicContact CE1-CZ3 4.16Å; F104-W204 AromaticContact CZ-CH2 3.97Å; F104-W204 HydrophobicContact CZ-CH2 3.97Å; F104-W204 AromaticContact CZ-CZ3 3.9Å; F104-W204 HydrophobicContact CZ-CZ3 3.9Å; F104-F208 AromaticContact CE2-CE2 3.78Å; F104-F208 HydrophobicContact CE2-CE2 3.78Å; F104-F208 AromaticContact CE2-CZ 3.88Å; F104-F208 HydrophobicContact CE2-CZ 3.88Å; F104-F208 HydrophobicContact CZ-CE2 4.06Å; F104-F208 HydrophobicContact CZ-CZ 4.47Å; F104-P209 HydrophobicContact CE2-CB 4.42Å; F104-P209 HydrophobicContact CZ-CB 4.12Å; F104-W264 HydrophobicContact CB-CH2 4.36Å; F104-W264 HydrophobicContact CB-CZ2 4.01Å; F104-W264 AromaticContact CD1-CH2 3.58Å; F104-W264 HydrophobicContact CD1-CH2 3.58Å; F104-W264 HydrophobicContact CD1-CZ2 4.11Å; F104-W264 HydrophobicContact CD2-CH2 4.4Å; F104-W264 HydrophobicContact CD2-CZ2 4.49Å; F104-W264 AromaticContact CE1-CH2 3.9Å; F104-W264 HydrophobicContact CE1-CH2 3.9Å; F104-W264 AromaticContact CG-CH2 3.86Å; F104-W264 HydrophobicContact CG-CH2 3.86Å; F104-W264 AromaticContact CG-CZ2 3.95Å; F104-W264 HydrophobicContact CG-CZ2 3.95Å; F104-W264 HydrophobicContact CZ-CH2 4.44Å; F104-I265 HydrophobicContact CD2-CG2 4.34Å; F104-I265 HydrophobicContact CE2-CG2 4.36Å; F104-D291 PolarHBondContact N-OD2 2.85Å
105	Q	96.3	Very high	96	Very high	33 Å²	33	56.4 Å²	56.4	15%	0.154	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-53.8	-35.9	-168.5	62.3	168.9	-5.1	0	0	114.2	F107 V108 K113 W125 L127	Q105-F107 PolarHBondContact O-N 2.95Å; Q105-V108 PolarHBondContact O-N 3.29Å; Q105-V108 VanDerWaalsContact O-N 3.14Å; Q105-K113 WeakPolarHBondContact O-CE 3.15Å; Q105-K113 PolarHBondContact O-NZ 3.23Å; Q105-W125 HydrophobicContact CG-CB 4.13Å; Q105-W125 PolarHBondContact N-O 2.81Å; Q105-L127 HydrophobicContact CB-CD1 4Å; Q105-L127 HydrophobicContact CB-CG 4.22Å
106	D	96.4	Very high	95.6	Very high	63 Å²	63	57.5 Å²	57.5	34%	0.337	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-69.4	-21.2	-176.6	-71.7	-4.8	0	0	0	112.9	F104 H219	F104-D106 HydrophobicContact CD1-CB 3.86Å; F104-D106 HydrophobicContact CE1-CB 3.79Å; F104-D106 PolarHBondContact O-N 3.12Å; D106-H219 IonicContact OD2-CE1 2.65Å; D106-H219 IonicContact OD2-NE2 3.21Å
107	F	96.6	Very high	95.1	Very high	61 Å²	61	61.9 Å²	61.9	27%	0.268	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-91.1	-4.5	177.6	-55.2	-32	0	0	0	113.3	V103 F104 Q105 A138 H219 G220 W264	V103-F107 HydrophobicContact CG1-CB 4.09Å; F104-F107 HydrophobicContact CB-CD2 4.13Å; F104-F107 HydrophobicContact CB-CE2 4.41Å; F104-F107 PolarHBondContact O-N 2.85Å; Q105-F107 PolarHBondContact O-N 2.95Å; F107-A138 HydrophobicContact CB-CB 4.23Å; F107-A138 WeakPolarHBondContact O-CB 3.41Å; F107-H219 AromaticContact CE1-CD2 3.54Å; F107-H219 AromaticContact CE1-NE2 3.49Å; F107-H219 WeakPolarHBondContact CE1-NE2 3.32Å; F107-H219 AromaticContact CZ-CD2 3.99Å; F107-H219 AromaticContact CZ-NE2 3.89Å; F107-G220 VanDerWaalsContact CZ-CA 3.46Å; F107-W264 HydrophobicContact CD2-CZ2 4.44Å; F107-W264 AromaticContact CE2-CH2 3.65Å; F107-W264 HydrophobicContact CE2-CH2 3.65Å; F107-W264 AromaticContact CE2-CZ2 3.45Å; F107-W264 HydrophobicContact CE2-CZ2 3.45Å; F107-W264 VanDerWaalsContact CE2-CZ2 3.45Å; F107-W264 AromaticContact CZ-CH2 3.7Å; F107-W264 HydrophobicContact CZ-CH2 3.7Å; F107-W264 AromaticContact CZ-CZ2 3.97Å; F107-W264 HydrophobicContact CZ-CZ2 3.97Å; F107-W264 HydrophobicContact CZ-CZ3 4.33Å
108	V	95.7	Very high	94.4	Very high	5 Å²	5	64.4 Å²	64.4	3%	0.03	33%	0.331	C	S	.	.	S	Bend	trans	-93.8	128.8	178.9	-174.8	0	0	0	0	109.5	V103 Q105 L112 K113 L127 I129	V103-V108 HydrophobicContact CB-CG2 3.8Å; V103-V108 HydrophobicContact CG1-CG2 3.59Å; Q105-V108 PolarHBondContact O-N 3.29Å; Q105-V108 VanDerWaalsContact O-N 3.14Å; V108-L112 HydrophobicContact CG1-CB 3.48Å; V108-L112 VanDerWaalsContact CG1-CB 3.48Å; V108-L112 HydrophobicContact CG1-CD1 4.4Å; V108-K113 HydrophobicContact CB-CG 3.98Å; V108-K113 HydrophobicContact CG1-CG 3.71Å; V108-K113 WeakPolarHBondContact O-CE 3.43Å; V108-L127 HydrophobicContact CB-CD1 4.1Å; V108-L127 HydrophobicContact CG1-CD1 4.26Å; V108-L127 HydrophobicContact CG2-CB 4.44Å; V108-L127 HydrophobicContact CG2-CD1 4.02Å; V108-I129 HydrophobicContact CB-CD1 4.41Å; V108-I129 HydrophobicContact CG1-CD1 3.57Å; V108-I129 HydrophobicContact CG1-CG1 4.21Å; V108-I129 HydrophobicContact CG2-CD1 3.89Å; V108-I129 HydrophobicContact CG2-CG1 3.75Å
109	S	94.3	Very high	93.8	Very high	58 Å²	58	66.9 Å²	66.9	41%	0.406	34%	0.338	S	S	.	.			trans	-62.9	149.9	174.6	70.7	0	0	0	0	111.5	E111 L112 K113	S109-E111 PolarHBondContact O-N 3.46Å; S109-E111 VanDerWaalsContact O-N 3.16Å; S109-L112 PolarHBondContact O-N 2.83Å; S109-L112 WeakPolarHBondContact OG-CG 3.22Å; S109-L112 PolarHBondContact OG-N 3Å; S109-K113 PolarHBondContact O-N 3.17Å
110	E	93.8	Very high	93.3	Very high	134 Å²	134	68.2 Å²	68.2	63%	0.626	34%	0.337	S	S	*	.	H	α-helix	trans	-56.7	-33.4	177.6	-65.9	-54.3	126.7	0	0	112.7	L112 K113 S114	E110-L112 PolarHBondContact O-N 3.23Å; E110-K113 PolarHBondContact O-N 2.78Å; E110-K113 WeakPolarHBondContact OE1-CD 3.13Å; E110-K113 IonicContact OE1-NZ 3.67Å; E110-K113 PolarHBondContact OE1-NZ 3.47Å; E110-S114 PolarHBondContact O-N 2.98Å
111	E	93	Very high	92.7	Very high	127 Å²	127	72.6 Å²	72.6	59%	0.593	36%	0.361	S	S	*	.	H	α-helix	trans	-60.7	-45.5	173.8	-166.5	-160.7	146.9	0	0	111.7	S109 S114 K115	S109-E111 PolarHBondContact O-N 3.46Å; S109-E111 VanDerWaalsContact O-N 3.16Å; E111-S114 PolarHBondContact O-OG 3.27Å; E111-K115 IonicContact OE1-NZ 2.79Å; E111-K115 PolarHBondContact OE1-NZ 3.03Å
112	L	92.8	Very high	92.1	Very high	29 Å²	29	77.4 Å²	77.4	15%	0.152	40%	0.395	C	S	.	.	H	α-helix	trans	-70.5	-41.8	177.8	-71.7	175.1	0	0	0	111.5	V108 S109 E110 S114 K115 I129	V108-L112 HydrophobicContact CG1-CB 3.48Å; V108-L112 VanDerWaalsContact CG1-CB 3.48Å; V108-L112 HydrophobicContact CG1-CD1 4.4Å; S109-L112 PolarHBondContact O-N 2.83Å; S109-L112 WeakPolarHBondContact OG-CG 3.22Å; S109-L112 PolarHBondContact OG-N 3Å; E110-L112 PolarHBondContact O-N 3.23Å; L112-S114 PolarHBondContact O-N 2.64Å; L112-K115 WeakPolarHBondContact O-CB 3.4Å; L112-K115 PolarHBondContact O-N 3.4Å; L112-I129 HydrophobicContact CD1-CG2 4.3Å
113	K	92.5	Very high	91.7	Very high	42 Å²	42	76 Å²	76	18%	0.183	39%	0.392	C	S	.	.	H	α-helix	trans	-55.6	-40.1	176.1	-71.3	-178.6	-177	162.4	0	112.2	Q105 V108 S109 E110 K115 V116 L127	Q105-K113 WeakPolarHBondContact O-CE 3.15Å; Q105-K113 PolarHBondContact O-NZ 3.23Å; V108-K113 HydrophobicContact CB-CG 3.98Å; V108-K113 HydrophobicContact CG1-CG 3.71Å; V108-K113 WeakPolarHBondContact O-CE 3.43Å; S109-K113 PolarHBondContact O-N 3.17Å; E110-K113 PolarHBondContact O-N 2.78Å; E110-K113 WeakPolarHBondContact OE1-CD 3.13Å; E110-K113 IonicContact OE1-NZ 3.67Å; E110-K113 PolarHBondContact OE1-NZ 3.47Å; K113-K115 PolarHBondContact O-N 3.34Å; K113-K115 VanDerWaalsContact O-N 3.14Å; K113-V116 PolarHBondContact O-N 3.25Å; K113-V116 VanDerWaalsContact O-N 3.12Å; K113-L127 HydrophobicContact CG-CD1 3.83Å
114	S	92	Very high	91.5	Very high	97 Å²	97	78.5 Å²	78.5	68%	0.678	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-20.2	179.3	77.3	0	0	0	0	114.2	E110 E111 L112	E110-S114 PolarHBondContact O-N 2.98Å; E111-S114 PolarHBondContact O-OG 3.27Å; L112-S114 PolarHBondContact O-N 2.64Å
115	K	91.4	Very high	91.3	Very high	123 Å²	123	80.5 Å²	80.5	54%	0.535	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-10.3	-179.3	-61	170.3	-170.8	168	0	112.6	E111 L112 K113 T117	E111-K115 IonicContact OE1-NZ 2.79Å; E111-K115 PolarHBondContact OE1-NZ 3.03Å; L112-K115 WeakPolarHBondContact O-CB 3.4Å; L112-K115 PolarHBondContact O-N 3.4Å; K113-K115 PolarHBondContact O-N 3.34Å; K113-K115 VanDerWaalsContact O-N 3.14Å; K115-T117 PolarHBondContact O-N 2.74Å
116	V	90.4	Very high	91.3	Very high	25 Å²	25	80.2 Å²	80.2	15%	0.152	41%	0.413	C	S	.	.			trans	-76.9	116	-179	178	0	0	0	0	110	K113 Q118 L127 P128 I129	K113-V116 PolarHBondContact O-N 3.25Å; K113-V116 VanDerWaalsContact O-N 3.12Å; V116-Q118 WeakPolarHBondContact CG1-O 3.49Å; V116-L127 HydrophobicContact CG1-CD2 4.32Å; V116-L127 HydrophobicContact CG2-CB 4.34Å; V116-P128 HydrophobicContact CG1-CG 4.25Å; V116-I129 HydrophobicContact CG2-CD1 3.76Å
117	T	86.1	Confident	91.4	Very high	133 Å²	133	77.4 Å²	77.4	82%	0.816	40%	0.398	S	S	*	.			trans	-102.7	-17.8	179.8	55.7	0	0	0	0	113.6	K115	K115-T117 PolarHBondContact O-N 2.74Å
118	Q	84.4	Confident	91.4	Very high	142 Å²	142	76 Å²	76	66%	0.664	40%	0.395	S	S	*	.			trans	-117.8	134.9	-177.6	-62.8	-179.5	4.6	0	0	109.8	V116 P128	V116-Q118 WeakPolarHBondContact CG1-O 3.49Å; Q118-P128 HydrophobicContact CB-CG 4.43Å; Q118-P128 VanDerWaalsContact O-CD 3.32Å; Q118-P128 WeakPolarHBondContact O-CD 3.48Å; Q118-P128 WeakPolarHBondContact O-CG 3.39Å
119	R	85.6	Confident	91.5	Very high	153 Å²	153	76 Å²	76	58%	0.577	40%	0.395	S	S	*	.			trans	-132.6	148	175	-65	-172.6	-178.7	-156.6	-1	109.5	E121	R119-E121 PolarHBondContact O-N 3.23Å
120	I	87.1	Confident	91.6	Very high	59 Å²	59	80.5 Å²	80.5	30%	0.303	41%	0.409	S	S	.	.			trans	-79	116.6	170.7	-54.1	178.8	0	0	0	107.5	F102 S122 A123 P124 W126	F102-I120 HydrophobicContact CD1-CD1 4.25Å; F102-I120 HydrophobicContact CE1-CD1 3.58Å; F102-I120 HydrophobicContact CE1-CG1 4.03Å; F102-I120 HydrophobicContact CE2-CD1 4.33Å; F102-I120 HydrophobicContact CZ-CD1 3.63Å; F102-I120 HydrophobicContact CZ-CG1 4.26Å; I120-S122 VanDerWaalsContact C-N 3.29Å; I120-S122 WeakPolarHBondContact CG2-OG 3.27Å; I120-S122 PolarHBondContact O-N 3.35Å; I120-A123 HydrophobicContact CG2-CB 4.31Å; I120-A123 CarbonylContact O-C 3.54Å; I120-A123 PolarHBondContact O-N 3.33Å; I120-A123 VanDerWaalsContact O-N 3.1Å; I120-P124 VanDerWaalsContact O-CA 3.26Å; I120-P124 WeakPolarHBondContact O-CA 3.37Å; I120-W126 HydrophobicContact CD1-CB 4.36Å
121	E	84.9	Confident	91.7	Very high	193 Å²	193	81.3 Å²	81.3	90%	0.902	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-40.1	-177.5	-173.5	177.5	-176	0	0	112.6	R119 A123	R119-E121 PolarHBondContact O-N 3.23Å; E121-A123 VanDerWaalsContact C-N 3.29Å; E121-A123 PolarHBondContact O-N 2.8Å
122	S	86.2	Confident	92	Very high	105 Å²	105	75.3 Å²	75.3	73%	0.734	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.6	178.8	56.5	0	0	0	0	114.3	I120	I120-S122 VanDerWaalsContact C-N 3.29Å; I120-S122 WeakPolarHBondContact CG2-OG 3.27Å; I120-S122 PolarHBondContact O-N 3.35Å
123	A	90.6	Very high	92.3	Very high	14 Å²	14	75 Å²	75	12%	0.116	38%	0.376	C	S	.	.			trans	-151	67.6	-178.7	0	0	0	0	0	110.9	I120 E121 W125 W126	I120-A123 HydrophobicContact CG2-CB 4.31Å; I120-A123 CarbonylContact O-C 3.54Å; I120-A123 PolarHBondContact O-N 3.33Å; I120-A123 VanDerWaalsContact O-N 3.1Å; E121-A123 VanDerWaalsContact C-N 3.29Å; E121-A123 PolarHBondContact O-N 2.8Å; A123-W125 HydrophobicContact CB-CD2 4.45Å; A123-W125 HydrophobicContact CB-CH2 4.25Å; A123-W125 HydrophobicContact CB-CZ2 3.69Å; A123-W125 PolarHBondContact O-N 2.79Å; A123-W125 VanDerWaalsContact O-N 3.1Å; A123-W126 PolarHBondContact O-N 2.83Å; A123-W126 VanDerWaalsContact O-N 3.11Å
124	P	92.9	Very high	92.6	Very high	53 Å²	53	73 Å²	73	34%	0.344	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-12.3	-169.5	26.7	-36.6	0	0	0	114.6	I120 W126	I120-P124 VanDerWaalsContact O-CA 3.26Å; I120-P124 WeakPolarHBondContact O-CA 3.37Å; P124-W126 VanDerWaalsContact C-N 3.27Å
125	W	94.9	Very high	92.9	Very high	41 Å²	41	73.4 Å²	73.4	16%	0.155	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-12.7	174.6	52.8	83.1	0	0	0	113.4	F104 Q105 A123 F208 P209 N273	F104-W125 HydrophobicContact CD2-CB 4.17Å; F104-W125 AromaticContact CD2-CD1 3.82Å; F104-W125 HydrophobicContact CD2-CG 4.31Å; F104-W125 HydrophobicContact CE2-CB 3.73Å; F104-W125 AromaticContact CE2-CD1 3.7Å; F104-W125 AromaticContact CE2-CG 3.88Å; F104-W125 HydrophobicContact CE2-CG 3.88Å; F104-W125 HydrophobicContact CZ-CB 4.48Å; Q105-W125 HydrophobicContact CG-CB 4.13Å; Q105-W125 PolarHBondContact N-O 2.81Å; A123-W125 HydrophobicContact CB-CD2 4.45Å; A123-W125 HydrophobicContact CB-CH2 4.25Å; A123-W125 HydrophobicContact CB-CZ2 3.69Å; A123-W125 PolarHBondContact O-N 2.79Å; A123-W125 VanDerWaalsContact O-N 3.1Å; W125-F208 AromaticContact CD1-CZ 3.8Å; W125-F208 AromaticContact CD2-CE1 3.51Å; W125-F208 HydrophobicContact CD2-CE1 3.51Å; W125-F208 AromaticContact CD2-CZ 3.64Å; W125-F208 HydrophobicContact CD2-CZ 3.64Å; W125-F208 AromaticContact CE2-CE1 3.51Å; W125-F208 AromaticContact CE2-CZ 3.54Å; W125-F208 AromaticContact CE3-CE1 3.65Å; W125-F208 HydrophobicContact CE3-CE1 3.65Å; W125-F208 HydrophobicContact CE3-CZ 4.25Å; W125-F208 HydrophobicContact CG-CE1 4.15Å; W125-F208 AromaticContact CG-CZ 3.82Å; W125-F208 HydrophobicContact CG-CZ 3.82Å; W125-F208 AromaticContact CH2-CE1 3.81Å; W125-F208 HydrophobicContact CH2-CE1 3.81Å; W125-F208 AromaticContact CZ2-CE1 3.67Å; W125-F208 HydrophobicContact CZ2-CE1 3.67Å; W125-F208 HydrophobicContact CZ2-CZ 4.07Å; W125-F208 AromaticContact CZ3-CE1 3.8Å; W125-F208 HydrophobicContact CZ3-CE1 3.8Å; W125-F208 AromaticContact NE1-CZ 3.61Å; W125-P209 HydrophobicContact CB-CB 4.06Å; W125-P209 HydrophobicContact CE3-CB 4.44Å; W125-P209 HydrophobicContact CE3-CG 4.47Å; W125-P209 HydrophobicContact CG-CB 4.45Å; W125-N273 WeakPolarHBondContact CZ2-OD1 3.26Å
126	W	96.4	Very high	93.2	Very high	28 Å²	28	69.2 Å²	69.2	11%	0.106	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115.1	172.2	-71	122.2	0	0	0	110.7	F102 F104 I120 A123 P124 I265 D291 N292	F102-W126 HydrophobicContact CB-CE3 4.11Å; F102-W126 HydrophobicContact CD1-CB 4.04Å; F102-W126 HydrophobicContact CG-CB 4.5Å; F104-W126 HydrophobicContact CB-CE3 4.32Å; F104-W126 HydrophobicContact CB-CH2 4.27Å; F104-W126 HydrophobicContact CB-CZ3 3.81Å; I120-W126 HydrophobicContact CD1-CB 4.36Å; A123-W126 PolarHBondContact O-N 2.83Å; A123-W126 VanDerWaalsContact O-N 3.11Å; P124-W126 VanDerWaalsContact C-N 3.27Å; W126-I265 HydrophobicContact CZ2-CD1 3.67Å; W126-D291 WeakPolarHBondContact CH2-OD1 3.41Å; W126-D291 WeakPolarHBondContact CZ3-OD1 3.23Å; W126-N292 HydrophobicContact CH2-CB 3.97Å; W126-N292 WeakPolarHBondContact CH2-OD1 3.39Å; W126-N292 HydrophobicContact CZ2-CB 4.41Å
127	L	97.1	Very high	93.6	Very high	3 Å²	3	68.9 Å²	68.9	2%	0.016	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.4	-178.8	-55.1	-175.2	0	0	0	110.4	F102 V103 Q105 V108 K113 V116 I129	F102-L127 WeakPolarHBondContact CA-O 3.47Å; V103-L127 PolarHBondContact N-O 2.58Å; V103-L127 PolarHBondContact O-N 2.74Å; Q105-L127 HydrophobicContact CB-CD1 4Å; Q105-L127 HydrophobicContact CB-CG 4.22Å; V108-L127 HydrophobicContact CB-CD1 4.1Å; V108-L127 HydrophobicContact CG1-CD1 4.26Å; V108-L127 HydrophobicContact CG2-CB 4.44Å; V108-L127 HydrophobicContact CG2-CD1 4.02Å; K113-L127 HydrophobicContact CG-CD1 3.83Å; V116-L127 HydrophobicContact CG1-CD2 4.32Å; V116-L127 HydrophobicContact CG2-CB 4.34Å; L127-I129 HydrophobicContact CB-CD1 3.79Å; L127-I129 HydrophobicContact CB-CG1 4.19Å; L127-I129 PolarHBondContact O-N 3.08Å; L127-I129 VanDerWaalsContact O-N 3.17Å
128	P	96.9	Very high	94.1	Very high	32 Å²	32	63.9 Å²	63.9	21%	0.208	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	102.8	172.3	30.1	-32.7	0	0	0	109.3	W100 F102 V116 Q118	W100-P128 HydrophobicContact CD2-CB 4.48Å; W100-P128 HydrophobicContact CE3-CB 3.67Å; W100-P128 HydrophobicContact CZ3-CB 3.85Å; F102-P128 HydrophobicContact CD1-CB 4.47Å; F102-P128 HydrophobicContact CE1-CB 4.16Å; V116-P128 HydrophobicContact CG1-CG 4.25Å; Q118-P128 HydrophobicContact CB-CG 4.43Å; Q118-P128 VanDerWaalsContact O-CD 3.32Å; Q118-P128 WeakPolarHBondContact O-CD 3.48Å; Q118-P128 WeakPolarHBondContact O-CG 3.39Å
129	I	97.6	Very high	94.8	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.8	-176.6	-57.5	-53.5	0	0	0	110.1	W100 S101 V103 V108 L112 V116 L127 R131 A132	W100-I129 VanDerWaalsContact CA-O 3.27Å; W100-I129 WeakPolarHBondContact CA-O 3.43Å; W100-I129 WeakPolarHBondContact CB-O 3.41Å; S101-I129 PolarHBondContact N-O 2.84Å; S101-I129 PolarHBondContact O-N 2.91Å; V103-I129 HydrophobicContact CB-CB 4.42Å; V103-I129 HydrophobicContact CB-CG1 3.79Å; V103-I129 HydrophobicContact CG2-CB 3.81Å; V103-I129 HydrophobicContact CG2-CG1 3.75Å; V108-I129 HydrophobicContact CB-CD1 4.41Å; V108-I129 HydrophobicContact CG1-CD1 3.57Å; V108-I129 HydrophobicContact CG1-CG1 4.21Å; V108-I129 HydrophobicContact CG2-CD1 3.89Å; V108-I129 HydrophobicContact CG2-CG1 3.75Å; L112-I129 HydrophobicContact CD1-CG2 4.3Å; V116-I129 HydrophobicContact CG2-CD1 3.76Å; L127-I129 HydrophobicContact CB-CD1 3.79Å; L127-I129 HydrophobicContact CB-CG1 4.19Å; L127-I129 PolarHBondContact O-N 3.08Å; L127-I129 VanDerWaalsContact O-N 3.17Å; I129-R131 PolarHBondContact O-N 3.47Å; I129-A132 HydrophobicContact CB-CB 3.92Å; I129-A132 HydrophobicContact CG2-CB 4.08Å; I129-A132 WeakPolarHBondContact O-CB 3.08Å; I129-A132 PolarHBondContact O-N 2.05Å
130	E	96.8	Very high	95.3	Very high	153 Å²	153	51.6 Å²	51.6	72%	0.715	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	137.1	172.1	-69.1	-173.2	-174.1	0	0	110.8	G99 A132 P140	G99-E130 CarbonylContact O-C 3.44Å; G99-E130 WeakPolarHBondContact O-CA 3.39Å; E130-A132 PolarHBondContact O-N 3.39Å; E130-A132 VanDerWaalsContact O-N 3.17Å; E130-P140 WeakPolarHBondContact O-CD 3.35Å
131	R	97.1	Very high	95.5	Very high	152 Å²	152	54.8 Å²	54.8	57%	0.574	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	22.1	-179.2	-51.4	172.9	62	-171.2	-2.6	113.8	G99 I129 F133 P140	G99-R131 PolarHBondContact O-N 2.86Å; I129-R131 PolarHBondContact O-N 3.47Å; R131-F133 WeakPolarHBondContact O-CD1 3.14Å; R131-P140 HydrophobicContact CB-CG 4.12Å
132	A	98.4	Very high	96	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.			trans	-79.3	123.7	159.1	0	0	0	0	0	109.7	S101 V103 I129 E130 Q136	S101-A132 VanDerWaalsContact CB-O 3.27Å; S101-A132 WeakPolarHBondContact CB-O 3.11Å; V103-A132 HydrophobicContact CG2-CB 3.55Å; I129-A132 HydrophobicContact CB-CB 3.92Å; I129-A132 HydrophobicContact CG2-CB 4.08Å; I129-A132 WeakPolarHBondContact O-CB 3.08Å; I129-A132 PolarHBondContact O-N 2.05Å; E130-A132 PolarHBondContact O-N 3.39Å; E130-A132 VanDerWaalsContact O-N 3.17Å; A132-Q136 WeakPolarHBondContact CA-O 3.31Å
133	F	98.8	Very high	96.6	Very high	23 Å²	23	43.3 Å²	43.3	10%	0.101	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-161.9	177.9	176.3	64.4	-86	0	0	0	108.9	A95 E96 R131 R135 Q136	A95-F133 HydrophobicContact CB-CB 4.08Å; E96-F133 HydrophobicContact CG-CB 3.83Å; E96-F133 HydrophobicContact CG-CD1 4.18Å; E96-F133 HydrophobicContact CG-CD2 3.49Å; E96-F133 VanDerWaalsContact CG-CD2 3.49Å; E96-F133 HydrophobicContact CG-CE2 4.01Å; E96-F133 HydrophobicContact CG-CG 3.6Å; R131-F133 WeakPolarHBondContact O-CD1 3.14Å; F133-R135 HydrophobicContact CD2-CB 3.97Å; F133-R135 HydrophobicContact CE2-CB 3.38Å; F133-R135 HydrophobicContact CZ-CB 4.1Å; F133-R135 PolarHBondContact O-N 3.26Å; F133-Q136 HydrophobicContact CD1-CB 4.39Å; F133-Q136 HydrophobicContact CE1-CB 4.19Å; F133-Q136 HydrophobicContact CE1-CG 4.29Å; F133-Q136 HydrophobicContact CZ-CG 4.32Å; F133-Q136 PolarHBondContact N-O 3.48Å; F133-Q136 CarbonylContact O-C 3.52Å; F133-Q136 WeakPolarHBondContact O-CA 3.17Å; F133-Q136 PolarHBondContact O-N 2.97Å; F133-Q136 VanDerWaalsContact O-O 3.11Å
134	W	98.8	Very high	97	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-33.3	-170.5	76.1	-89.9	0	0	0	116	F82 R83 V86 T93 E96 I144 V152 V153 V155	F82-W134 AromaticContact CD1-CD2 3.67Å; F82-W134 HydrophobicContact CD1-CD2 3.67Å; F82-W134 AromaticContact CD1-CE2 3.96Å; F82-W134 AromaticContact CD1-CE3 3.84Å; F82-W134 HydrophobicContact CD1-CE3 3.84Å; F82-W134 AromaticContact CD1-CG 3.98Å; F82-W134 HydrophobicContact CD1-CG 3.98Å; F82-W134 HydrophobicContact CD1-CZ2 4.37Å; F82-W134 HydrophobicContact CD1-CZ3 4.27Å; F82-W134 HydrophobicContact CE1-CB 4.37Å; F82-W134 AromaticContact CE1-CD1 3.81Å; F82-W134 AromaticContact CE1-CD2 3.87Å; F82-W134 HydrophobicContact CE1-CD2 3.87Å; F82-W134 AromaticContact CE1-CE2 3.97Å; F82-W134 AromaticContact CE1-CG 3.78Å; F82-W134 HydrophobicContact CE1-CG 3.78Å; F82-W134 AromaticContact CE1-NE1 3.93Å; R83-W134 HydrophobicContact CB-CH2 3.7Å; R83-W134 HydrophobicContact CB-CZ3 3.88Å; R83-W134 HydrophobicContact CG-CH2 4.04Å; V86-W134 HydrophobicContact CB-CZ2 3.89Å; V86-W134 HydrophobicContact CG1-CZ2 3.93Å; V86-W134 HydrophobicContact CG2-CH2 4.49Å; V86-W134 HydrophobicContact CG2-CZ2 3.69Å; T93-W134 HydrophobicContact CG2-CG 4.49Å; E96-W134 PolarHBondContact OE2-NE1 3.4Å; W134-I144 HydrophobicContact CE3-CD1 3.94Å; W134-I144 HydrophobicContact CH2-CD1 4.32Å; W134-I144 HydrophobicContact CZ3-CD1 3.4Å; W134-I144 VanDerWaalsContact CZ3-CD1 3.4Å; W134-I144 VanDerWaalsContact O-CG2 3.24Å; W134-I144 WeakPolarHBondContact O-CG2 3.12Å; W134-V152 HydrophobicContact CB-CG2 3.73Å; W134-V152 HydrophobicContact CE3-CG2 4.37Å; W134-V152 HydrophobicContact CG-CG2 4.44Å; W134-V153 VanDerWaalsContact CA-O 3.25Å; W134-V153 WeakPolarHBondContact CA-O 3.34Å; W134-V153 VanDerWaalsContact CB-O 3.25Å; W134-V153 WeakPolarHBondContact CB-O 3.39Å; W134-V155 HydrophobicContact CB-CG1 4.47Å
135	R	98.7	Very high	97.2	Very high	105 Å²	105	47.3 Å²	47.3	40%	0.396	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-17.3	179.2	-161.7	-178.9	-66.4	143.9	-0.7	113.6	F133 G143 I144	F133-R135 HydrophobicContact CD2-CB 3.97Å; F133-R135 HydrophobicContact CE2-CB 3.38Å; F133-R135 HydrophobicContact CZ-CB 4.1Å; F133-R135 PolarHBondContact O-N 3.26Å; R135-G143 WeakPolarHBondContact O-CA 3.37Å; R135-I144 HydrophobicContact CG-CD1 4.32Å; R135-I144 HydrophobicContact CG-CG1 4.29Å
136	Q	98.4	Very high	97.2	Very high	36 Å²	36	51.7 Å²	51.7	17%	0.168	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-134.6	68.7	-179.7	-71.7	-175.4	103.3	0	0	108.3	A132 F133 A138 G139 S142	A132-Q136 WeakPolarHBondContact CA-O 3.31Å; F133-Q136 HydrophobicContact CD1-CB 4.39Å; F133-Q136 HydrophobicContact CE1-CB 4.19Å; F133-Q136 HydrophobicContact CE1-CG 4.29Å; F133-Q136 HydrophobicContact CZ-CG 4.32Å; F133-Q136 PolarHBondContact N-O 3.48Å; F133-Q136 CarbonylContact O-C 3.52Å; F133-Q136 WeakPolarHBondContact O-CA 3.17Å; F133-Q136 PolarHBondContact O-N 2.97Å; F133-Q136 VanDerWaalsContact O-O 3.11Å; Q136-A138 VanDerWaalsContact C-N 3.28Å; Q136-A138 PolarHBondContact O-N 2.95Å; Q136-G139 PolarHBondContact O-N 3.31Å; Q136-S142 VanDerWaalsContact CA-OG 3.22Å; Q136-S142 WeakPolarHBondContact CA-OG 3.37Å; Q136-S142 WeakPolarHBondContact CG-O 3.25Å; Q136-S142 PolarHBondContact O-OG 3.09Å
137	P	98.1	Very high	97.3	Very high	18 Å²	18	55.1 Å²	55.1	12%	0.117	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.7	-166.7	25.9	-35	0	0	0	114.2	V103 I144 V153 H154	V103-P137 WeakPolarHBondContact CG2-O 3.26Å; P137-I144 HydrophobicContact CG-CG2 4.36Å; P137-V153 HydrophobicContact CB-CG2 4.01Å; P137-H154 WeakPolarHBondContact CA-NE2 3.37Å; P137-H154 PolarHBondContact O-CE1 2.79Å; P137-H154 PolarHBondContact O-NE2 2.61Å
138	A	97.6	Very high	97.4	Very high	27 Å²	27	57.2 Å²	57.2	22%	0.223	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	18	173.7	0	0	0	0	0	112.8	F107 Q136 S142	F107-A138 HydrophobicContact CB-CB 4.23Å; F107-A138 WeakPolarHBondContact O-CB 3.41Å; Q136-A138 VanDerWaalsContact C-N 3.28Å; Q136-A138 PolarHBondContact O-N 2.95Å; A138-S142 PolarHBondContact N-OG 3.41Å
139	G	97.1	Very high	97.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	86.6	-167.2	-174.8	0	0	0	0	0	113.8	Q136 S141 S142	Q136-G139 PolarHBondContact O-N 3.31Å; G139-S141 PolarHBondContact O-N 3.4Å; G139-S142 PolarHBondContact N-OG 3.44Å; G139-S142 WeakPolarHBondContact O-CB 3.36Å; G139-S142 PolarHBondContact O-N 3.14Å; G139-S142 VanDerWaalsContact O-N 3.13Å; G139-S142 PolarHBondContact O-OG 3.28Å
140	P	96.3	Very high	97.5	Very high	37 Å²	37	59.5 Å²	59.5	24%	0.24	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	140.2	-177.5	-26.9	33.8	0	0	0	112.1	E130 R131 S142	E130-P140 WeakPolarHBondContact O-CD 3.35Å; R131-P140 HydrophobicContact CB-CG 4.12Å; P140-S142 VanDerWaalsContact C-N 3.25Å; P140-S142 PolarHBondContact O-N 2.81Å
141	S	91.3	Very high	97.6	Very high	127 Å²	127	52.2 Å²	52.2	89%	0.888	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-10.4	-177	79	0	0	0	0	116.8	G139	G139-S141 PolarHBondContact O-N 3.4Å
142	S	96.9	Very high	97.7	Very high	32 Å²	32	45 Å²	45	22%	0.224	24%	0.241	C	C	.	.			trans	-79.7	168.2	167.6	73.1	0	0	0	0	111.9	Q136 A138 G139 P140	Q136-S142 VanDerWaalsContact CA-OG 3.22Å; Q136-S142 WeakPolarHBondContact CA-OG 3.37Å; Q136-S142 WeakPolarHBondContact CG-O 3.25Å; Q136-S142 PolarHBondContact O-OG 3.09Å; A138-S142 PolarHBondContact N-OG 3.41Å; G139-S142 PolarHBondContact N-OG 3.44Å; G139-S142 WeakPolarHBondContact O-CB 3.36Å; G139-S142 PolarHBondContact O-N 3.14Å; G139-S142 VanDerWaalsContact O-N 3.13Å; G139-S142 PolarHBondContact O-OG 3.28Å; P140-S142 VanDerWaalsContact C-N 3.25Å; P140-S142 PolarHBondContact O-N 2.81Å
143	G	97.9	Very high	97.7	Very high	25 Å²	25	45.1 Å²	45.1	26%	0.258	24%	0.242	S	C	.	.			trans	-158.2	-179.7	-177.1	0	0	0	0	0	112.9	R135	R135-G143 WeakPolarHBondContact O-CA 3.37Å
144	I	98.3	Very high	97.7	Very high	9 Å²	9	44 Å²	44	5%	0.046	24%	0.237	C	C	.	.	S	Bend	trans	-123.1	6.8	179.9	59.4	163.4	0	0	0	113.1	N79 W134 R135 P137 E146 R147 L148	N79-I144 HydrophobicContact CB-CB 4.37Å; N79-I144 HydrophobicContact CB-CD1 4.09Å; W134-I144 HydrophobicContact CE3-CD1 3.94Å; W134-I144 HydrophobicContact CH2-CD1 4.32Å; W134-I144 HydrophobicContact CZ3-CD1 3.4Å; W134-I144 VanDerWaalsContact CZ3-CD1 3.4Å; W134-I144 VanDerWaalsContact O-CG2 3.24Å; W134-I144 WeakPolarHBondContact O-CG2 3.12Å; R135-I144 HydrophobicContact CG-CD1 4.32Å; R135-I144 HydrophobicContact CG-CG1 4.29Å; P137-I144 HydrophobicContact CG-CG2 4.36Å; I144-E146 VanDerWaalsContact C-N 3.26Å; I144-E146 PolarHBondContact O-N 2.53Å; I144-R147 CarbonylContact O-C 3.54Å; I144-R147 PolarHBondContact O-N 3.48Å; I144-L148 HydrophobicContact CD1-CD2 4.26Å; I144-L148 HydrophobicContact CG1-CD2 4.46Å; I144-L148 WeakPolarHBondContact O-CD2 3.14Å; I144-L148 PolarHBondContact O-N 3.31Å
145	L	97.3	Very high	97.7	Very high	142 Å²	142	44 Å²	44	74%	0.743	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-36.1	-171.8	-68.8	179.6	0	0	0	112
146	E	96.6	Very high	97.7	Very high	132 Å²	132	39 Å²	39	62%	0.617	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	5.4	175.4	69	-72.4	173.8	0	0	113.6	I144	I144-E146 VanDerWaalsContact C-N 3.26Å; I144-E146 PolarHBondContact O-N 2.53Å
147	R	97.3	Very high	97.7	Very high	101 Å²	101	38.3 Å²	38.3	38%	0.381	21%	0.214	S	C	.	.			trans	-134.9	34.2	-175.6	-59.2	-173.2	-176.7	-169.5	-2.8	112.6	N79 I144 D149 F150	N79-R147 WeakPolarHBondContact CB-O 3.49Å; N79-R147 PolarHBondContact ND2-O 3.41Å; I144-R147 CarbonylContact O-C 3.54Å; I144-R147 PolarHBondContact O-N 3.48Å; R147-D149 VanDerWaalsContact C-N 3.25Å; R147-D149 PolarHBondContact O-N 2.97Å; R147-F150 HydrophobicContact CB-CB 4.04Å; R147-F150 HydrophobicContact CB-CD1 4.39Å; R147-F150 HydrophobicContact CB-CD2 3.63Å; R147-F150 HydrophobicContact CB-CE2 4.16Å; R147-F150 HydrophobicContact CB-CG 3.77Å; R147-F150 HydrophobicContact CG-CD1 4.41Å; R147-F150 HydrophobicContact CG-CD2 4.04Å; R147-F150 HydrophobicContact CG-CE1 4.43Å; R147-F150 HydrophobicContact CG-CE2 4.09Å; R147-F150 HydrophobicContact CG-CG 4.21Å; R147-F150 HydrophobicContact CG-CZ 4.28Å; R147-F150 WeakPolarHBondContact O-CB 3.48Å; R147-F150 PolarHBondContact O-N 2.91Å
148	L	98.5	Very high	97.8	Very high	47 Å²	47	39 Å²	39	25%	0.246	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.2	-176.1	-70.4	-179.7	0	0	0	113.5	T78 S80 I144	T78-L148 WeakPolarHBondContact CB-O 3.34Å; S80-L148 WeakPolarHBondContact CB-O 3.31Å; S80-L148 PolarHBondContact N-O 3.37Å; I144-L148 HydrophobicContact CD1-CD2 4.26Å; I144-L148 HydrophobicContact CG1-CD2 4.46Å; I144-L148 WeakPolarHBondContact O-CD2 3.14Å; I144-L148 PolarHBondContact O-N 3.31Å
149	D	98.1	Very high	97.8	Very high	54 Å²	54	37.8 Å²	37.8	29%	0.289	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	3.4	177.3	64.9	-37.5	0	0	0	113.5	R147 S223 V224	R147-D149 VanDerWaalsContact C-N 3.25Å; R147-D149 PolarHBondContact O-N 2.97Å; D149-S223 VanDerWaalsContact OD2-CB 3.24Å; D149-S223 WeakPolarHBondContact OD2-CB 3.49Å; D149-S223 PolarHBondContact OD2-OG 3.38Å; D149-V224 WeakPolarHBondContact O-CG2 3.25Å; D149-V224 PolarHBondContact O-N 3.22Å; D149-V224 VanDerWaalsContact O-N 3.12Å
150	F	98.7	Very high	97.9	Very high	30 Å²	30	37.8 Å²	37.8	13%	0.132	21%	0.206	C	C	.	.	S	Bend	trans	-81.9	154	173.6	-74.3	-122.2	0	0	0	109.9	T78 N79 R147 V152 I221	T78-F150 CarbonylContact C-O 3.38Å; T78-F150 WeakPolarHBondContact CA-O 3.25Å; T78-F150 WeakPolarHBondContact CB-O 3.29Å; N79-F150 PolarHBondContact N-O 3.33Å; R147-F150 HydrophobicContact CB-CB 4.04Å; R147-F150 HydrophobicContact CB-CD1 4.39Å; R147-F150 HydrophobicContact CB-CD2 3.63Å; R147-F150 HydrophobicContact CB-CE2 4.16Å; R147-F150 HydrophobicContact CB-CG 3.77Å; R147-F150 HydrophobicContact CG-CD1 4.41Å; R147-F150 HydrophobicContact CG-CD2 4.04Å; R147-F150 HydrophobicContact CG-CE1 4.43Å; R147-F150 HydrophobicContact CG-CE2 4.09Å; R147-F150 HydrophobicContact CG-CG 4.21Å; R147-F150 HydrophobicContact CG-CZ 4.28Å; R147-F150 WeakPolarHBondContact O-CB 3.48Å; R147-F150 PolarHBondContact O-N 2.91Å; F150-V152 PolarHBondContact O-N 2.92Å; F150-I221 HydrophobicContact CB-CD1 4.2Å; F150-I221 HydrophobicContact CD1-CD1 3.96Å; F150-I221 HydrophobicContact CD1-CG1 3.91Å; F150-I221 VanDerWaalsContact CE1-O 3.31Å; F150-I221 WeakPolarHBondContact CE1-O 3.4Å
151	P	98.9	Very high	98	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-56.3	138.6	172.4	25.7	-34.4	0	0	0	109.9	P76 V77 I221 S222 V224 T242	P76-P151 HydrophobicContact CB-CB 3.97Å; V77-P151 CarbonylContact O-C 3.31Å; V77-P151 WeakPolarHBondContact O-CA 3.4Å; P151-I221 HydrophobicContact CG-CB 4.45Å; P151-I221 HydrophobicContact CG-CD1 4.26Å; P151-S222 WeakPolarHBondContact CD-O 3.36Å; P151-V224 HydrophobicContact CB-CG1 4.29Å; P151-T242 HydrophobicContact CB-CG2 4.11Å; P151-T242 HydrophobicContact CG-CG2 3.66Å
152	V	98.9	Very high	98.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-68.9	133.2	171	68.4	0	0	0	0	109	V77 F82 W134 F150 V155 S294 F295	V77-V152 HydrophobicContact CB-CG1 4.16Å; V77-V152 HydrophobicContact CG1-CG1 3.93Å; V77-V152 WeakPolarHBondContact O-CG1 3.44Å; V77-V152 PolarHBondContact O-N 3.29Å; F82-V152 HydrophobicContact CB-CB 3.97Å; F82-V152 HydrophobicContact CB-CG1 4.1Å; F82-V152 HydrophobicContact CB-CG2 3.82Å; F82-V152 HydrophobicContact CD1-CG2 3.73Å; F82-V152 HydrophobicContact CD2-CG1 3.93Å; F82-V152 HydrophobicContact CD2-CG2 4.19Å; F82-V152 HydrophobicContact CE1-CG2 4.32Å; F82-V152 HydrophobicContact CG-CB 4.17Å; F82-V152 HydrophobicContact CG-CG1 4.08Å; F82-V152 HydrophobicContact CG-CG2 3.64Å; W134-V152 HydrophobicContact CB-CG2 3.73Å; W134-V152 HydrophobicContact CE3-CG2 4.37Å; W134-V152 HydrophobicContact CG-CG2 4.44Å; F150-V152 PolarHBondContact O-N 2.92Å; V152-V155 HydrophobicContact CG1-CG1 4.2Å; V152-V155 HydrophobicContact CG1-CG2 4.27Å; V152-V155 HydrophobicContact CG2-CG1 3.85Å; V152-S294 WeakPolarHBondContact O-CB 3.29Å; V152-S294 PolarHBondContact O-OG 3.16Å; V152-F295 HydrophobicContact CG1-CD1 4.43Å; V152-F295 HydrophobicContact CG1-CE1 3.78Å
153	V	98.9	Very high	98.5	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	17%	0.17	C	C	.	.			trans	-125.1	175.4	-179.1	-65.3	0	0	0	0	110.8	W134 P137 V155 I221 T242 D291 L293	W134-V153 VanDerWaalsContact CA-O 3.25Å; W134-V153 WeakPolarHBondContact CA-O 3.34Å; W134-V153 VanDerWaalsContact CB-O 3.25Å; W134-V153 WeakPolarHBondContact CB-O 3.39Å; P137-V153 HydrophobicContact CB-CG2 4.01Å; V153-V155 PolarHBondContact O-N 3.41Å; V153-I221 HydrophobicContact CG1-CD1 4.21Å; V153-I221 HydrophobicContact CG2-CD1 4.46Å; V153-T242 HydrophobicContact CG1-CG2 3.93Å; V153-D291 WeakPolarHBondContact CG1-O 3.46Å; V153-L293 WeakPolarHBondContact CA-O 3.44Å
154	H	98.9	Very high	98.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	56.1	37.8	-168.3	-47.7	-76.7	0	0	0	113.6	A95 S101 F102 P137 A289 S290 D291	A95-H154 HydrophobicContact CB-CB 4.44Å; S101-H154 WeakPolarHBondContact CB-ND1 3.15Å; S101-H154 PolarHBondContact OG-ND1 2.85Å; F102-H154 PolarHBondContact O-CE1 3.26Å; F102-H154 VanDerWaalsContact O-CE1 3.25Å; P137-H154 WeakPolarHBondContact CA-NE2 3.37Å; P137-H154 PolarHBondContact O-CE1 2.79Å; P137-H154 PolarHBondContact O-NE2 2.61Å; H154-A289 HydrophobicContact CB-CB 4.49Å; H154-S290 PolarHBondContact N-O 3.07Å; H154-D291 PolarHBondContact CE1-N 3.35Å; H154-D291 VanDerWaalsContact CE1-N 3.34Å
155	V	98.9	Very high	98.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.184	C	C	.	.			trans	-113.2	126.5	177.9	-70.6	0	0	0	0	109	F82 W134 V152 V153 D159 W245 F295	F82-V155 HydrophobicContact CE1-CG1 4.2Å; F82-V155 HydrophobicContact CE2-CG1 3.91Å; F82-V155 HydrophobicContact CZ-CG1 3.71Å; W134-V155 HydrophobicContact CB-CG1 4.47Å; V152-V155 HydrophobicContact CG1-CG1 4.2Å; V152-V155 HydrophobicContact CG1-CG2 4.27Å; V152-V155 HydrophobicContact CG2-CG1 3.85Å; V153-V155 PolarHBondContact O-N 3.41Å; V155-D159 HydrophobicContact CB-CB 4.17Å; V155-W245 PolarHBondContact O-NE1 2.95Å; V155-F295 HydrophobicContact CB-CE1 4.28Å; V155-F295 HydrophobicContact CG2-CD1 3.73Å; V155-F295 HydrophobicContact CG2-CE1 3.86Å
156	S	98.9	Very high	98.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	16%	0.164	C	C	.	.			trans	-77.1	173.1	177	84.3	0	0	0	0	111.5	E94 N158 D159 A160 P286 S288	E94-S156 WeakPolarHBondContact OE2-CB 3.47Å; E94-S156 PolarHBondContact OE2-OG 3.26Å; S156-N158 PolarHBondContact O-N 2.86Å; S156-N158 PolarHBondContact OG-N 3.29Å; S156-N158 VanDerWaalsContact OG-N 3.14Å; S156-D159 PolarHBondContact N-OD2 2.88Å; S156-D159 PolarHBondContact O-N 3.38Å; S156-D159 PolarHBondContact OG-N 3.31Å; S156-D159 VanDerWaalsContact OG-N 3.09Å; S156-D159 PolarHBondContact OG-OD2 3.33Å; S156-A160 WeakPolarHBondContact O-CB 3.15Å; S156-A160 PolarHBondContact O-N 3.34Å; S156-P286 VanDerWaalsContact CB-O 3.24Å; S156-P286 WeakPolarHBondContact CB-O 3.49Å; S156-P286 PolarHBondContact OG-O 2.81Å; S156-S288 WeakPolarHBondContact CA-O 3.32Å
157	W	98.9	Very high	98.6	Very high	22 Å²	22	35.2 Å²	35.2	8%	0.083	15%	0.152	C	C	.	.	H	α-helix	trans	-61.8	-36.5	171.8	-176.1	84.9	0	0	0	111.4	R161 L171 W245 T246 Y257 P286	W157-R161 WeakPolarHBondContact O-CB 3.46Å; W157-R161 PolarHBondContact O-N 2.94Å; W157-L171 HydrophobicContact CG-CD1 4.43Å; W157-W245 HydrophobicContact CB-CD2 3.73Å; W157-W245 HydrophobicContact CB-CE3 3.76Å; W157-W245 HydrophobicContact CB-CG 4.32Å; W157-W245 HydrophobicContact CB-CH2 4.15Å; W157-W245 HydrophobicContact CB-CZ2 4.09Å; W157-W245 HydrophobicContact CB-CZ3 4Å; W157-W245 AromaticContact CD1-CD2 3.9Å; W157-W245 AromaticContact CD1-CE3 3.55Å; W157-W245 HydrophobicContact CG-CD2 4.26Å; W157-W245 HydrophobicContact CG-CE3 4.04Å; W157-W245 HydrophobicContact CG-CZ3 4.49Å; W157-T246 PolarHBondContact NE1-O 2.95Å; W157-Y257 AromaticContact CD1-CG 3.78Å; W157-Y257 HydrophobicContact CD2-CD1 4.21Å; W157-Y257 AromaticContact CD2-CD2 3.84Å; W157-Y257 HydrophobicContact CD2-CD2 3.84Å; W157-Y257 HydrophobicContact CD2-CE1 4.3Å; W157-Y257 AromaticContact CD2-CE2 3.93Å; W157-Y257 HydrophobicContact CD2-CE2 3.93Å; W157-Y257 AromaticContact CD2-CG 3.98Å; W157-Y257 HydrophobicContact CD2-CG 3.98Å; W157-Y257 AromaticContact CE2-CD1 3.57Å; W157-Y257 AromaticContact CE2-CE1 3.66Å; W157-Y257 AromaticContact CE2-CG 3.78Å; W157-Y257 AromaticContact CE2-CZ 3.94Å; W157-Y257 HydrophobicContact CE3-CD2 4.17Å; W157-Y257 AromaticContact CE3-CE2 3.81Å; W157-Y257 HydrophobicContact CE3-CE2 3.81Å; W157-Y257 AromaticContact CG-CD2 3.99Å; W157-Y257 HydrophobicContact CG-CD2 3.99Å; W157-Y257 HydrophobicContact CG-CG 4.02Å; W157-Y257 HydrophobicContact CH2-CD1 4.46Å; W157-Y257 AromaticContact CH2-CE1 3.71Å; W157-Y257 HydrophobicContact CH2-CE1 3.71Å; W157-Y257 HydrophobicContact CH2-CE2 4.2Å; W157-Y257 AromaticContact CH2-CZ 3.54Å; W157-Y257 AromaticContact CZ2-CD1 3.76Å; W157-Y257 HydrophobicContact CZ2-CD1 3.76Å; W157-Y257 AromaticContact CZ2-CE1 3.38Å; W157-Y257 HydrophobicContact CZ2-CE1 3.38Å; W157-Y257 HydrophobicContact CZ2-CE2 4.33Å; W157-Y257 HydrophobicContact CZ2-CG 4.37Å; W157-Y257 AromaticContact CZ2-CZ 3.69Å; W157-Y257 HydrophobicContact CZ3-CE1 4.26Å; W157-Y257 AromaticContact CZ3-CE2 3.9Å; W157-Y257 HydrophobicContact CZ3-CE2 3.9Å; W157-Y257 AromaticContact CZ3-CZ 3.67Å; W157-Y257 AromaticContact NE1-CD1 3.53Å; W157-Y257 AromaticContact NE1-CG 3.6Å; W157-P286 HydrophobicContact CB-CB 3.96Å; W157-P286 VanDerWaalsContact CB-O 3.31Å; W157-P286 WeakPolarHBondContact CB-O 3.43Å; W157-P286 HydrophobicContact CD2-CB 4.42Å; W157-P286 HydrophobicContact CE3-CB 3.98Å; W157-P286 HydrophobicContact CG-CB 4.43Å; W157-P286 PolarHBondContact N-O 3.48Å
158	N	98.9	Very high	98.6	Very high	33 Å²	33	33.5 Å²	33.5	18%	0.176	17%	0.166	C	C	.	.	H	α-helix	trans	-66.7	-43.4	176.7	-62.3	-55.4	0	0	0	111.2	E94 S156 A160 R161 E162 P286	E94-N158 PolarHBondContact OE1-ND2 2.95Å; E94-N158 WeakPolarHBondContact OE2-CB 3.16Å; E94-N158 PolarHBondContact OE2-ND2 2.68Å; S156-N158 PolarHBondContact O-N 2.86Å; S156-N158 PolarHBondContact OG-N 3.29Å; S156-N158 VanDerWaalsContact OG-N 3.14Å; N158-A160 VanDerWaalsContact C-N 3.34Å; N158-A160 PolarHBondContact O-N 3.22Å; N158-R161 PolarHBondContact O-N 3.17Å; N158-R161 PolarHBondContact OD1-NH1 3.14Å; N158-E162 PolarHBondContact O-N 2.9Å; N158-P286 PolarHBondContact N-O 2.92Å; N158-P286 PolarHBondContact ND2-O 3.05Å
159	D	98.9	Very high	98.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.7	-46.4	175.5	-60.6	-38	0	0	0	111.5	Y91 T93 E94 V155 S156 R161 E162 F163	Y91-D159 HydrophobicContact CE1-CB 4.23Å; Y91-D159 VanDerWaalsContact CE1-OD1 3.25Å; Y91-D159 WeakPolarHBondContact CE1-OD1 3.25Å; Y91-D159 WeakPolarHBondContact OH-CA 3.25Å; Y91-D159 PolarHBondContact OH-OD1 3.42Å; T93-D159 VanDerWaalsContact CA-OD1 3.31Å; T93-D159 WeakPolarHBondContact CA-OD1 3.14Å; T93-D159 WeakPolarHBondContact CB-OD2 3.24Å; E94-D159 PolarHBondContact N-OD1 3.25Å; E94-D159 VanDerWaalsContact N-OD1 3.15Å; E94-D159 PolarHBondContact N-OD2 3.15Å; V155-D159 HydrophobicContact CB-CB 4.17Å; S156-D159 PolarHBondContact N-OD2 2.88Å; S156-D159 PolarHBondContact O-N 3.38Å; S156-D159 PolarHBondContact OG-N 3.31Å; S156-D159 VanDerWaalsContact OG-N 3.09Å; S156-D159 PolarHBondContact OG-OD2 3.33Å; D159-R161 VanDerWaalsContact C-N 3.32Å; D159-R161 PolarHBondContact O-N 2.82Å; D159-E162 PolarHBondContact O-N 3.43Å; D159-F163 PolarHBondContact O-N 2.96Å
160	A	98.9	Very high	98.6	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.1	-41.8	177.8	0	0	0	0	0	112	S156 N158 C164 L171 W245 F295	S156-A160 WeakPolarHBondContact O-CB 3.15Å; S156-A160 PolarHBondContact O-N 3.34Å; N158-A160 VanDerWaalsContact C-N 3.34Å; N158-A160 PolarHBondContact O-N 3.22Å; A160-C164 PolarHBondContact O-N 3.5Å; A160-C164 PolarHBondContact O-SG 3.16Å; A160-C164 VanDerWaalsContact O-SG 3.39Å; A160-L171 HydrophobicContact CB-CD1 4.29Å; A160-L171 HydrophobicContact CB-CD2 4.08Å; A160-W245 HydrophobicContact CB-CB 4.46Å; A160-F295 HydrophobicContact CB-CB 3.89Å; A160-F295 HydrophobicContact CB-CD1 3.55Å; A160-F295 HydrophobicContact CB-CD2 3.64Å; A160-F295 HydrophobicContact CB-CE1 3.93Å; A160-F295 HydrophobicContact CB-CE2 3.98Å; A160-F295 HydrophobicContact CB-CG 3.41Å; A160-F295 VanDerWaalsContact CB-CG 3.41Å; A160-F295 HydrophobicContact CB-CZ 4.14Å
161	R	98.8	Very high	98.6	Very high	91 Å²	91	32.8 Å²	32.8	34%	0.343	16%	0.157	S	C	.	.	H	α-helix	trans	-64.4	-46.8	176.9	-172.9	-170.9	69.8	-127.9	-2.9	112.1	W157 N158 D159 F163 C164 K165	W157-R161 WeakPolarHBondContact O-CB 3.46Å; W157-R161 PolarHBondContact O-N 2.94Å; N158-R161 PolarHBondContact O-N 3.17Å; N158-R161 PolarHBondContact OD1-NH1 3.14Å; D159-R161 VanDerWaalsContact C-N 3.32Å; D159-R161 PolarHBondContact O-N 2.82Å; R161-F163 VanDerWaalsContact C-N 3.35Å; R161-C164 PolarHBondContact O-N 3.37Å; R161-K165 VanDerWaalsContact O-CB 3.32Å; R161-K165 WeakPolarHBondContact O-CB 3.35Å; R161-K165 PolarHBondContact O-N 3.02Å
162	E	98.9	Very high	98.6	Very high	50 Å²	50	32.8 Å²	32.8	23%	0.234	16%	0.157	C	C	.	.	H	α-helix	trans	-66.3	-37.8	179.9	-64.9	-49.1	133.8	0	0	111.5	F85 Y91 N158 D159 K165 W166	F85-E162 HydrophobicContact CZ-CB 4.22Å; Y91-E162 HydrophobicContact CE2-CB 3.87Å; Y91-E162 HydrophobicContact CE2-CG 4.02Å; N158-E162 PolarHBondContact O-N 2.9Å; D159-E162 PolarHBondContact O-N 3.43Å; E162-K165 PolarHBondContact O-N 3.14Å; E162-K165 IonicContact OE2-NZ 3.83Å; E162-W166 WeakPolarHBondContact O-CB 3.42Å; E162-W166 PolarHBondContact O-N 3.04Å
163	F	98.9	Very high	98.6	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.013	17%	0.168	C	C	.	.	H	α-helix	trans	-60.6	-51.6	172	177.3	-81.3	0	0	0	111.9	V77 I81 F82 F85 D159 R161 K165 W166 K167 F295	V77-F163 HydrophobicContact CB-CE1 4.29Å; V77-F163 HydrophobicContact CB-CZ 4.43Å; V77-F163 HydrophobicContact CG1-CD1 4.32Å; V77-F163 HydrophobicContact CG1-CD2 4.39Å; V77-F163 HydrophobicContact CG1-CE1 3.73Å; V77-F163 HydrophobicContact CG1-CE2 3.82Å; V77-F163 HydrophobicContact CG1-CZ 3.44Å; V77-F163 VanDerWaalsContact CG1-CZ 3.44Å; V77-F163 HydrophobicContact CG2-CD1 4.04Å; V77-F163 HydrophobicContact CG2-CE1 3.5Å; V77-F163 HydrophobicContact CG2-CZ 4.06Å; I81-F163 HydrophobicContact CB-CE2 4.48Å; I81-F163 HydrophobicContact CB-CZ 4.19Å; I81-F163 HydrophobicContact CG2-CE2 4Å; I81-F163 HydrophobicContact CG2-CZ 3.6Å; F82-F163 HydrophobicContact CB-CE2 4.44Å; F82-F163 HydrophobicContact CD2-CB 4.46Å; F82-F163 AromaticContact CD2-CD2 3.55Å; F82-F163 HydrophobicContact CD2-CD2 3.55Å; F82-F163 HydrophobicContact CD2-CE2 4.11Å; F82-F163 HydrophobicContact CD2-CG 4.19Å; F82-F163 HydrophobicContact CE2-CB 4.2Å; F82-F163 HydrophobicContact CE2-CD2 4.06Å; F82-F163 HydrophobicContact CE2-CG 4.42Å; F82-F163 HydrophobicContact CG-CD2 4.41Å; F85-F163 HydrophobicContact CB-CD2 3.5Å; F85-F163 VanDerWaalsContact CB-CD2 3.5Å; F85-F163 HydrophobicContact CB-CE2 3.67Å; F85-F163 HydrophobicContact CD1-CB 4.2Å; F85-F163 AromaticContact CD1-CD2 3.67Å; F85-F163 HydrophobicContact CD1-CD2 3.67Å; F85-F163 HydrophobicContact CD1-CG 4.42Å; F85-F163 HydrophobicContact CD2-CD2 4.38Å; F85-F163 HydrophobicContact CE1-CB 4.15Å; F85-F163 HydrophobicContact CE1-CD2 4.45Å; F85-F163 AromaticContact CG-CD2 3.6Å; F85-F163 HydrophobicContact CG-CD2 3.6Å; F85-F163 HydrophobicContact CG-CE2 4.29Å; F85-F163 HydrophobicContact CG-CG 4.46Å; F85-F163 HydrophobicContact CZ-CB 4.44Å; D159-F163 PolarHBondContact O-N 2.96Å; R161-F163 VanDerWaalsContact C-N 3.35Å; F163-K165 VanDerWaalsContact C-N 3.26Å; F163-K165 PolarHBondContact O-N 3.27Å; F163-W166 HydrophobicContact CD2-CE3 4.41Å; F163-W166 HydrophobicContact CE2-CE3 4.22Å; F163-W166 HydrophobicContact CE2-CZ3 4.04Å; F163-W166 HydrophobicContact CZ-CZ3 4.34Å; F163-W166 WeakPolarHBondContact O-CB 3.27Å; F163-W166 PolarHBondContact O-N 2.71Å; F163-W166 VanDerWaalsContact O-N 3.14Å; F163-K167 HydrophobicContact CD1-CG 4.39Å; F163-K167 HydrophobicContact CE1-CG 3.86Å; F163-K167 HydrophobicContact CZ-CG 4.18Å; F163-K167 PolarHBondContact O-N 3.17Å; F163-K167 VanDerWaalsContact O-N 3.16Å; F163-F295 HydrophobicContact CB-CE2 4Å; F163-F295 HydrophobicContact CB-CZ 3.69Å; F163-F295 AromaticContact CD1-CE2 3.5Å; F163-F295 HydrophobicContact CD1-CE2 3.5Å; F163-F295 AromaticContact CD1-CZ 3.68Å; F163-F295 HydrophobicContact CD1-CZ 3.68Å; F163-F295 HydrophobicContact CD2-CZ 4.43Å; F163-F295 HydrophobicContact CE1-CE2 4.26Å; F163-F295 HydrophobicContact CE1-CZ 4.43Å; F163-F295 AromaticContact CG-CE2 3.94Å; F163-F295 HydrophobicContact CG-CE2 3.94Å; F163-F295 AromaticContact CG-CZ 3.66Å; F163-F295 HydrophobicContact CG-CZ 3.66Å
164	C	98.8	Very high	98.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.6	-38.6	-178.5	-68.9	0	0	0	0	110.9	A160 R161 W166 K167 G168 H169 C297	A160-C164 PolarHBondContact O-N 3.5Å; A160-C164 PolarHBondContact O-SG 3.16Å; A160-C164 VanDerWaalsContact O-SG 3.39Å; R161-C164 PolarHBondContact O-N 3.37Å; C164-W166 PolarHBondContact O-N 3.38Å; C164-K167 WeakPolarHBondContact O-CB 3.28Å; C164-K167 PolarHBondContact O-N 3.44Å; C164-G168 PolarHBondContact O-N 2.83Å; C164-H169 CarbonylContact C-O 3.36Å; C164-H169 HydrophobicContact CB-CB 4.37Å; C164-H169 CarbonylContact O-C 3.46Å; C164-H169 VanDerWaalsContact O-C 3.31Å; C164-H169 VanDerWaalsContact O-CA 3.28Å; C164-H169 WeakPolarHBondContact O-CA 3.49Å; C164-H169 WeakPolarHBondContact O-CB 3.17Å; C164-H169 PolarHBondContact O-N 3.03Å; C164-C297 WeakPolarHBondContact CA-SG 3.4Å; C164-C297 HydrophobicContact CB-CB 3.95Å; C164-C297 WeakPolarHBondContact CB-SG 3.4Å; C164-C297 VanDerWaalsContact SG-CA 3.57Å; C164-C297 WeakPolarHBondContact SG-CB 3.27Å; C164-C297 CovalentContact SG-SG 2.05Å; C164-C297 PolarHBondContact SG-SG 3.11Å
165	K	98.6	Very high	98.6	Very high	136 Å²	136	36.5 Å²	36.5	59%	0.591	18%	0.177	S	C	*	.	H	α-helix	trans	-61.3	-42.1	174.6	-179.3	-175.7	170.9	-166.3	0	112.3	R161 E162 F163 K167 G168	R161-K165 VanDerWaalsContact O-CB 3.32Å; R161-K165 WeakPolarHBondContact O-CB 3.35Å; R161-K165 PolarHBondContact O-N 3.02Å; E162-K165 PolarHBondContact O-N 3.14Å; E162-K165 IonicContact OE2-NZ 3.83Å; F163-K165 VanDerWaalsContact C-N 3.26Å; F163-K165 PolarHBondContact O-N 3.27Å; K165-K167 PolarHBondContact O-N 2.93Å; K165-G168 WeakPolarHBondContact O-CA 3.46Å; K165-G168 PolarHBondContact O-N 2.8Å
166	W	98.4	Very high	98.6	Very high	88 Å²	88	37.4 Å²	37.4	33%	0.333	18%	0.181	S	C	.	.	H	α-helix	trans	-59.1	-35.5	175.4	168.1	77.6	0	0	0	112.5	I81 F85 A88 E89 E162 F163 C164 G168	I81-W166 HydrophobicContact CG2-CZ3 4.41Å; F85-W166 HydrophobicContact CB-CD2 4.17Å; F85-W166 HydrophobicContact CB-CE3 3.71Å; F85-W166 HydrophobicContact CB-CH2 4.21Å; F85-W166 HydrophobicContact CB-CZ3 3.72Å; F85-W166 HydrophobicContact CD2-CB 3.72Å; F85-W166 AromaticContact CD2-CD2 3.67Å; F85-W166 HydrophobicContact CD2-CD2 3.67Å; F85-W166 AromaticContact CD2-CE3 3.87Å; F85-W166 HydrophobicContact CD2-CE3 3.87Å; F85-W166 AromaticContact CD2-CG 3.59Å; F85-W166 HydrophobicContact CD2-CG 3.59Å; F85-W166 HydrophobicContact CE2-CB 3.78Å; F85-W166 HydrophobicContact CE2-CG 4.09Å; F85-W166 HydrophobicContact CG-CD2 4.38Å; F85-W166 HydrophobicContact CG-CE3 4.18Å; A88-W166 HydrophobicContact CB-CZ2 4.15Å; E89-W166 HydrophobicContact CG-CG 4.16Å; E89-W166 PolarHBondContact OE1-NE1 2.98Å; E162-W166 WeakPolarHBondContact O-CB 3.42Å; E162-W166 PolarHBondContact O-N 3.04Å; F163-W166 HydrophobicContact CD2-CE3 4.41Å; F163-W166 HydrophobicContact CE2-CE3 4.22Å; F163-W166 HydrophobicContact CE2-CZ3 4.04Å; F163-W166 HydrophobicContact CZ-CZ3 4.34Å; F163-W166 WeakPolarHBondContact O-CB 3.27Å; F163-W166 PolarHBondContact O-N 2.71Å; F163-W166 VanDerWaalsContact O-N 3.14Å; C164-W166 PolarHBondContact O-N 3.38Å; W166-G168 PolarHBondContact O-N 2.68Å
167	K	96.8	Very high	98.6	Very high	82 Å²	82	37.4 Å²	37.4	36%	0.357	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-4.7	172	-67	-66.1	-61.4	-172.9	0	114.1	F163 C164 K165 H169	F163-K167 HydrophobicContact CD1-CG 4.39Å; F163-K167 HydrophobicContact CE1-CG 3.86Å; F163-K167 HydrophobicContact CZ-CG 4.18Å; F163-K167 PolarHBondContact O-N 3.17Å; F163-K167 VanDerWaalsContact O-N 3.16Å; C164-K167 WeakPolarHBondContact O-CB 3.28Å; C164-K167 PolarHBondContact O-N 3.44Å; K165-K167 PolarHBondContact O-N 2.93Å; K167-H169 VanDerWaalsContact C-N 3.26Å; K167-H169 HydrophobicContact CB-CB 4.22Å; K167-H169 PolarHBondContact O-CD2 2.67Å; K167-H169 PolarHBondContact O-NE2 3.36Å
168	G	96.7	Very high	98.6	Very high	66 Å²	66	36.5 Å²	36.5	68%	0.68	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	20.7	-168.9	0	0	0	0	0	113.2	C164 K165 W166	C164-G168 PolarHBondContact O-N 2.83Å; K165-G168 WeakPolarHBondContact O-CA 3.46Å; K165-G168 PolarHBondContact O-N 2.8Å; W166-G168 PolarHBondContact O-N 2.68Å
169	H	98.1	Very high	98.6	Very high	41 Å²	41	35.8 Å²	35.8	19%	0.19	17%	0.173	C	C	.	.			trans	-112.5	-168.4	-176.9	-60	179.9	0	0	0	110.1	M38 C164 K167 C297 A298	M38-H169 PolarHBondContact SD-CE1 3.41Å; C164-H169 CarbonylContact C-O 3.36Å; C164-H169 HydrophobicContact CB-CB 4.37Å; C164-H169 CarbonylContact O-C 3.46Å; C164-H169 VanDerWaalsContact O-C 3.31Å; C164-H169 VanDerWaalsContact O-CA 3.28Å; C164-H169 WeakPolarHBondContact O-CA 3.49Å; C164-H169 WeakPolarHBondContact O-CB 3.17Å; C164-H169 PolarHBondContact O-N 3.03Å; K167-H169 VanDerWaalsContact C-N 3.26Å; K167-H169 HydrophobicContact CB-CB 4.22Å; K167-H169 PolarHBondContact O-CD2 2.67Å; K167-H169 PolarHBondContact O-NE2 3.36Å; H169-C297 HydrophobicContact CB-CB 3.91Å; H169-A298 WeakPolarHBondContact CB-O 3.49Å
170	R	98.7	Very high	98.6	Very high	69 Å²	69	35.8 Å²	35.8	26%	0.26	17%	0.173	S	C	.	.	B	Isolated β-bridge	trans	-144.6	172.5	173.7	55.5	173.7	177.1	79.9	-2.8	110.1	E176 C297 A298 S300	R170-E176 IonicContact CZ-OE1 3.69Å; R170-E176 IonicContact CZ-OE2 3.64Å; R170-E176 IonicContact NH1-OE1 2.88Å; R170-E176 IonicContact NH1-OE2 3.04Å; R170-E176 PolarHBondContact NH1-OE2 2.97Å; R170-E176 IonicContact NH2-OE1 3.38Å; R170-E176 PolarHBondContact NH2-OE1 3.03Å; R170-E176 IonicContact NH2-OE2 2.74Å; R170-E176 PolarHBondContact NH2-OE2 3.49Å; R170-C297 CarbonylContact O-C 3.54Å; R170-C297 WeakPolarHBondContact O-CA 3.42Å; R170-A298 VanDerWaalsContact CG-O 3.27Å; R170-A298 WeakPolarHBondContact CG-O 3.22Å; R170-A298 PolarHBondContact N-O 3.47Å; R170-A298 PolarHBondContact O-N 2.9Å; R170-S300 PolarHBondContact NE-OG 2.91Å; R170-S300 PolarHBondContact NH2-OG 3.43Å
171	L	98.9	Very high	98.6	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.026	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-69.6	148.8	163.2	-71.4	170.9	0	0	0	110.3	W157 A160 W245 F295	W157-L171 HydrophobicContact CG-CD1 4.43Å; A160-L171 HydrophobicContact CB-CD1 4.29Å; A160-L171 HydrophobicContact CB-CD2 4.08Å; L171-W245 HydrophobicContact CD1-CB 4.33Å; L171-W245 HydrophobicContact CD2-CB 4.39Å; L171-F295 HydrophobicContact CD2-CB 4.02Å; L171-F295 HydrophobicContact CD2-CD2 3.95Å; L171-F295 HydrophobicContact CD2-CG 4.37Å
172	P	98.9	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-65.4	150.8	168.4	28.5	-34	0	0	0	110.1	I72 E176 W177 T246 S247 R296 A298	I72-P172 HydrophobicContact CD1-CB 4.18Å; I72-P172 HydrophobicContact CD1-CG 4.42Å; P172-E176 WeakPolarHBondContact CA-OE2 3.35Å; P172-E176 HydrophobicContact CB-CB 4.28Å; P172-W177 HydrophobicContact CB-CB 4.34Å; P172-W177 HydrophobicContact CG-CB 4.41Å; P172-T246 CarbonylContact O-C 3.56Å; P172-T246 WeakPolarHBondContact O-CA 3.35Å; P172-T246 WeakPolarHBondContact O-CB 3.41Å; P172-S247 PolarHBondContact O-N 3.23Å; P172-S247 PolarHBondContact O-OG 3.29Å; P172-R296 WeakPolarHBondContact CD-O 3.26Å; P172-A298 HydrophobicContact CB-CB 3.86Å
173	T	98.9	Very high	98.5	Very high	37 Å²	37	29.4 Å²	29.4	23%	0.227	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-70.2	162.3	161.6	72.7	0	0	0	0	109.8	E175 E176 W177	T173-E175 PolarHBondContact O-N 3Å; T173-E175 PolarHBondContact OG1-N 2.78Å; T173-E175 PolarHBondContact OG1-OE2 3Å; T173-E176 PolarHBondContact N-OE2 2.74Å; T173-E176 PolarHBondContact O-N 3.13Å; T173-E176 WeakPolarHBondContact OG1-CB 3.47Å; T173-E176 WeakPolarHBondContact OG1-CG 3.22Å; T173-E176 PolarHBondContact OG1-N 2.75Å; T173-E176 VanDerWaalsContact OG1-N 3.09Å; T173-W177 WeakPolarHBondContact O-CB 3.34Å; T173-W177 PolarHBondContact O-N 3.05Å
174	E	98.9	Very high	98.4	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-56.3	-42.2	172.9	-171.8	-173.6	-177.2	0	0	111.8	M48 W177 E178 T248 V258 R260 R281	M48-E174 HydrophobicContact CE-CB 4.17Å; M48-E174 HydrophobicContact CE-CG 3.5Å; E174-W177 PolarHBondContact O-N 2.88Å; E174-E178 PolarHBondContact O-N 3.03Å; E174-T248 HydrophobicContact CB-CG2 3.98Å; E174-T248 WeakPolarHBondContact CB-OG1 3.28Å; E174-T248 PolarHBondContact N-OG1 2.88Å; E174-V258 HydrophobicContact CB-CG1 4.44Å; E174-V258 HydrophobicContact CG-CG1 3.89Å; E174-R260 HydrophobicContact CG-CG 4.2Å; E174-R260 IonicContact OE1-CZ 3.66Å; E174-R260 IonicContact OE1-NH1 3.68Å; E174-R260 PolarHBondContact OE1-NH1 3.42Å; E174-R281 IonicContact OE1-CZ 3.74Å; E174-R281 IonicContact OE1-NE 2.7Å; E174-R281 PolarHBondContact OE1-NE 3.46Å; E174-R281 IonicContact OE1-NH2 2.72Å; E174-R281 PolarHBondContact OE1-NH2 3.5Å; E174-R281 IonicContact OE2-CZ 2.82Å; E174-R281 IonicContact OE2-NE 2.82Å; E174-R281 IonicContact OE2-NH2 3.6Å; E174-R281 PolarHBondContact OE2-NH2 2.87Å
175	E	98.8	Very high	98.3	Very high	37 Å²	37	34.1 Å²	34.1	17%	0.173	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-46.8	178.2	-66.3	68.9	-161.8	0	0	111.9	M48 R63 V65 V67 T173 W179 T248	M48-E175 HydrophobicContact CE-CG 4.34Å; M48-E175 HydrophobicContact SD-CB 4.34Å; M48-E175 HydrophobicContact SD-CG 3.79Å; R63-E175 IonicContact CZ-OE1 3.31Å; R63-E175 IonicContact NH1-OE1 3.67Å; R63-E175 PolarHBondContact NH1-OE1 2.65Å; R63-E175 IonicContact NH2-OE1 3.55Å; R63-E175 PolarHBondContact NH2-OE1 3.19Å; V65-E175 HydrophobicContact CG1-CB 4.03Å; V65-E175 HydrophobicContact CG1-CG 3.57Å; V65-E175 HydrophobicContact CG2-CG 4.47Å; V67-E175 HydrophobicContact CG2-CB 4.33Å; T173-E175 PolarHBondContact O-N 3Å; T173-E175 PolarHBondContact OG1-N 2.78Å; T173-E175 PolarHBondContact OG1-OE2 3Å; E175-W179 VanDerWaalsContact O-CB 3.25Å; E175-W179 WeakPolarHBondContact O-CB 3.41Å; E175-W179 PolarHBondContact O-N 2.78Å; E175-T248 PolarHBondContact OE2-OG1 2.94Å
176	E	98.9	Very high	98.1	Very high	19 Å²	19	30.3 Å²	30.3	9%	0.089	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-44.6	176.8	-77.6	174.7	157.3	0	0	111.3	V67 F70 R170 P172 T173 W179 A180	V67-E176 HydrophobicContact CG1-CG 4.03Å; F70-E176 HydrophobicContact CD1-CG 4.18Å; F70-E176 HydrophobicContact CD2-CB 4.38Å; F70-E176 HydrophobicContact CD2-CG 4.27Å; F70-E176 HydrophobicContact CE1-CB 4.08Å; F70-E176 HydrophobicContact CE1-CG 3.97Å; F70-E176 HydrophobicContact CE2-CB 3.72Å; F70-E176 HydrophobicContact CE2-CG 4.06Å; F70-E176 HydrophobicContact CG-CG 4.33Å; F70-E176 HydrophobicContact CZ-CB 3.57Å; F70-E176 HydrophobicContact CZ-CG 3.93Å; F70-E176 WeakPolarHBondContact CZ-O 3.34Å; R170-E176 IonicContact CZ-OE1 3.69Å; R170-E176 IonicContact CZ-OE2 3.64Å; R170-E176 IonicContact NH1-OE1 2.88Å; R170-E176 IonicContact NH1-OE2 3.04Å; R170-E176 PolarHBondContact NH1-OE2 2.97Å; R170-E176 IonicContact NH2-OE1 3.38Å; R170-E176 PolarHBondContact NH2-OE1 3.03Å; R170-E176 IonicContact NH2-OE2 2.74Å; R170-E176 PolarHBondContact NH2-OE2 3.49Å; P172-E176 WeakPolarHBondContact CA-OE2 3.35Å; P172-E176 HydrophobicContact CB-CB 4.28Å; T173-E176 PolarHBondContact N-OE2 2.74Å; T173-E176 PolarHBondContact O-N 3.13Å; T173-E176 WeakPolarHBondContact OG1-CB 3.47Å; T173-E176 WeakPolarHBondContact OG1-CG 3.22Å; T173-E176 PolarHBondContact OG1-N 2.75Å; T173-E176 VanDerWaalsContact OG1-N 3.09Å; E176-W179 PolarHBondContact O-N 2.84Å; E176-A180 VanDerWaalsContact O-CB 3.22Å; E176-A180 WeakPolarHBondContact O-CB 3.14Å; E176-A180 PolarHBondContact O-N 3.43Å
177	W	98.9	Very high	98	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-47.8	179.3	-169.3	102.1	0	0	0	111.1	P172 T173 E174 A180 A181 M238 E244 T246 R260 G261	P172-W177 HydrophobicContact CB-CB 4.34Å; P172-W177 HydrophobicContact CG-CB 4.41Å; T173-W177 WeakPolarHBondContact O-CB 3.34Å; T173-W177 PolarHBondContact O-N 3.05Å; E174-W177 PolarHBondContact O-N 2.88Å; W177-A180 PolarHBondContact O-N 2.89Å; W177-A181 HydrophobicContact CE3-CB 4.05Å; W177-A181 HydrophobicContact CH2-CB 4.13Å; W177-A181 HydrophobicContact CZ3-CB 3.68Å; W177-A181 WeakPolarHBondContact O-CB 3.31Å; W177-A181 PolarHBondContact O-N 3.04Å; W177-M238 HydrophobicContact CD2-CE 3.71Å; W177-M238 VanDerWaalsContact CE2-CE 3.45Å; W177-M238 HydrophobicContact CE3-CE 4.27Å; W177-M238 HydrophobicContact CG-CE 4.07Å; W177-M238 HydrophobicContact CH2-CB 4.21Å; W177-M238 HydrophobicContact CH2-CE 4.28Å; W177-M238 WeakPolarHBondContact CH2-O 3.47Å; W177-M238 HydrophobicContact CZ2-CB 4.19Å; W177-M238 HydrophobicContact CZ2-CE 3.8Å; W177-M238 WeakPolarHBondContact CZ2-O 3.46Å; W177-M238 WeakPolarHBondContact O-CE 3.24Å; W177-E244 PolarHBondContact NE1-OE2 2.73Å; W177-T246 HydrophobicContact CB-CG2 4.27Å; W177-T246 HydrophobicContact CG-CG2 4.38Å; W177-R260 HydrophobicContact CD2-CB 3.48Å; W177-R260 VanDerWaalsContact CD2-CB 3.48Å; W177-R260 HydrophobicContact CD2-CG 4Å; W177-R260 HydrophobicContact CE3-CB 3.51Å; W177-R260 HydrophobicContact CE3-CG 3.9Å; W177-R260 HydrophobicContact CG-CB 4.13Å; W177-R260 HydrophobicContact CG-CG 4.32Å; W177-R260 HydrophobicContact CH2-CB 3.88Å; W177-R260 HydrophobicContact CZ2-CB 3.79Å; W177-R260 HydrophobicContact CZ3-CB 3.74Å; W177-R260 HydrophobicContact CZ3-CG 4.47Å; W177-G261 VanDerWaalsContact CH2-CA 3.48Å
178	E	98.9	Very high	98	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.009	18%	0.176	C	C	.	.	H	α-helix	trans	-66.5	-41.8	178.9	-171.7	169.9	136.7	0	0	112	L46 M48 G49 E174 A180 A181 R182 R260	L46-E178 HydrophobicContact CD2-CB 4.39Å; M48-E178 WeakPolarHBondContact CA-OE1 3.37Å; M48-E178 HydrophobicContact CE-CB 4.32Å; M48-E178 WeakPolarHBondContact CG-OE1 3.21Å; M48-E178 WeakPolarHBondContact CG-OE2 3.39Å; G49-E178 PolarHBondContact N-OE1 3.02Å; E174-E178 PolarHBondContact O-N 3.03Å; E178-A180 VanDerWaalsContact C-N 3.33Å; E178-A180 PolarHBondContact O-N 2.84Å; E178-A181 PolarHBondContact O-N 2.63Å; E178-R182 HydrophobicContact CG-CG 4.49Å; E178-R182 WeakPolarHBondContact O-CB 3.4Å; E178-R182 VanDerWaalsContact O-CG 3.27Å; E178-R182 WeakPolarHBondContact O-CG 3.31Å; E178-R182 PolarHBondContact O-N 3.49Å; E178-R182 IonicContact OE1-CZ 2.71Å; E178-R182 IonicContact OE1-NE 3.92Å; E178-R182 PolarHBondContact OE1-NE 2.72Å; E178-R182 VanDerWaalsContact OE1-NE 3.14Å; E178-R182 IonicContact OE1-NH2 3.71Å; E178-R182 PolarHBondContact OE1-NH2 2.81Å; E178-R260 IonicContact OE2-CZ 3.64Å; E178-R260 VanDerWaalsContact OE2-CZ 3.27Å; E178-R260 IonicContact OE2-NH1 2.81Å; E178-R260 PolarHBondContact OE2-NH1 3.28Å; E178-R260 IonicContact OE2-NH2 3.16Å; E178-R260 PolarHBondContact OE2-NH2 3.07Å
179	W	98.8	Very high	98.1	Very high	19 Å²	19	28.9 Å²	28.9	7%	0.072	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-44.9	176.1	176.6	-106	0	0	0	112	I41 P42 R45 L46 V67 E175 E176 R182	I41-W179 VanDerWaalsContact CG2-CD1 3.47Å; P42-W179 PolarHBondContact O-NE1 2.67Å; R45-W179 WeakPolarHBondContact O-CZ3 3.35Å; L46-W179 HydrophobicContact CB-CE3 3.67Å; L46-W179 HydrophobicContact CB-CZ3 4.13Å; L46-W179 HydrophobicContact CD1-CE3 3.92Å; L46-W179 HydrophobicContact CD2-CB 4.28Å; L46-W179 HydrophobicContact CG-CE3 4.29Å; V67-W179 HydrophobicContact CB-CG 4.25Å; V67-W179 HydrophobicContact CG1-CB 4.28Å; V67-W179 HydrophobicContact CG1-CG 4.13Å; V67-W179 HydrophobicContact CG2-CB 4.11Å; V67-W179 HydrophobicContact CG2-CG 4.3Å; E175-W179 VanDerWaalsContact O-CB 3.25Å; E175-W179 WeakPolarHBondContact O-CB 3.41Å; E175-W179 PolarHBondContact O-N 2.78Å; E176-W179 PolarHBondContact O-N 2.84Å; W179-R182 PolarHBondContact O-N 3.18Å
180	A	98.8	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.6	-48.5	175.1	0	0	0	0	0	111.1	F70 I72 E176 W177 E178 R182 G183 N231 L235 M238	F70-A180 HydrophobicContact CZ-CB 4.14Å; I72-A180 HydrophobicContact CD1-CB 3.97Å; I72-A180 HydrophobicContact CG2-CB 4.19Å; E176-A180 VanDerWaalsContact O-CB 3.22Å; E176-A180 WeakPolarHBondContact O-CB 3.14Å; E176-A180 PolarHBondContact O-N 3.43Å; W177-A180 PolarHBondContact O-N 2.89Å; E178-A180 VanDerWaalsContact C-N 3.33Å; E178-A180 PolarHBondContact O-N 2.84Å; A180-R182 PolarHBondContact O-N 2.83Å; A180-G183 PolarHBondContact O-N 2.94Å; A180-G183 VanDerWaalsContact O-N 3.07Å; A180-N231 PolarHBondContact O-ND2 2.88Å; A180-L235 HydrophobicContact CB-CD1 3.65Å; A180-L235 WeakPolarHBondContact O-CD1 3.48Å; A180-M238 HydrophobicContact CB-CE 4.29Å
181	A	98.8	Very high	98.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.4	-33.9	179.1	0	0	0	0	0	111.9	W177 E178 G183 P191 N231 M238 I278	W177-A181 HydrophobicContact CE3-CB 4.05Å; W177-A181 HydrophobicContact CH2-CB 4.13Å; W177-A181 HydrophobicContact CZ3-CB 3.68Å; W177-A181 WeakPolarHBondContact O-CB 3.31Å; W177-A181 PolarHBondContact O-N 3.04Å; E178-A181 PolarHBondContact O-N 2.63Å; A181-G183 VanDerWaalsContact C-N 3.26Å; A181-G183 PolarHBondContact O-N 2.88Å; A181-P191 WeakPolarHBondContact O-CB 3.5Å; A181-N231 PolarHBondContact O-ND2 3.07Å; A181-M238 HydrophobicContact CB-CB 3.96Å; A181-M238 HydrophobicContact CB-CE 3.69Å; A181-M238 HydrophobicContact CB-CG 4.25Å; A181-I278 HydrophobicContact CB-CD1 3.69Å; A181-I278 HydrophobicContact CB-CG1 3.79Å; A181-I278 WeakPolarHBondContact O-CD1 3.46Å
182	R	98.6	Very high	98.1	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.019	15%	0.147	C	C	.	.	H	α-helix	trans	-70.8	-20.2	-179	-82.2	-178.6	-170.9	-73.6	6.2	113.2	L46 G49 E178 W179 A180 G184 L185 R188 I278	L46-R182 VanDerWaalsContact CD1-CD 3.43Å; G49-R182 PolarHBondContact O-NH2 2.99Å; G49-R182 VanDerWaalsContact O-NH2 3.16Å; E178-R182 HydrophobicContact CG-CG 4.49Å; E178-R182 WeakPolarHBondContact O-CB 3.4Å; E178-R182 VanDerWaalsContact O-CG 3.27Å; E178-R182 WeakPolarHBondContact O-CG 3.31Å; E178-R182 PolarHBondContact O-N 3.49Å; E178-R182 IonicContact OE1-CZ 2.71Å; E178-R182 IonicContact OE1-NE 3.92Å; E178-R182 PolarHBondContact OE1-NE 2.72Å; E178-R182 VanDerWaalsContact OE1-NE 3.14Å; E178-R182 IonicContact OE1-NH2 3.71Å; E178-R182 PolarHBondContact OE1-NH2 2.81Å; W179-R182 PolarHBondContact O-N 3.18Å; A180-R182 PolarHBondContact O-N 2.83Å; R182-G184 VanDerWaalsContact C-N 3.26Å; R182-G184 PolarHBondContact O-N 3.25Å; R182-G184 VanDerWaalsContact O-N 3.16Å; R182-L185 WeakPolarHBondContact CB-O 3.06Å; R182-L185 WeakPolarHBondContact O-CB 3.37Å; R182-L185 PolarHBondContact O-N 3Å; R182-R188 PolarHBondContact NH1-O 2.77Å; R182-I278 HydrophobicContact CB-CD1 4.05Å; R182-I278 HydrophobicContact CG-CD1 3.38Å; R182-I278 HydrophobicContact CG-CG1 4.27Å
183	G	97.9	Very high	98	Very high	2 Å²	2	26.6 Å²	26.6	2%	0.021	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	36.6	172.3	0	0	0	0	0	115.1	A180 A181 S232	A180-G183 PolarHBondContact O-N 2.94Å; A180-G183 VanDerWaalsContact O-N 3.07Å; A181-G183 VanDerWaalsContact C-N 3.26Å; A181-G183 PolarHBondContact O-N 2.88Å; G183-S232 WeakPolarHBondContact O-CB 3.37Å
184	G	96.1	Very high	98	Very high	45 Å²	45	29.1 Å²	29.1	46%	0.464	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-1.3	-177.9	0	0	0	0	0	115.3	R182 Y233	R182-G184 VanDerWaalsContact C-N 3.26Å; R182-G184 PolarHBondContact O-N 3.25Å; R182-G184 VanDerWaalsContact O-N 3.16Å; G184-Y233 PolarHBondContact N-OH 3.09Å
185	L	97.2	Very high	98	Very high	57 Å²	57	37.3 Å²	37.3	30%	0.298	20%	0.2	S	C	.	.			trans	-93.1	144.6	175.8	-55.7	177.6	0	0	0	111.7	R182 R188	R182-L185 WeakPolarHBondContact CB-O 3.06Å; R182-L185 WeakPolarHBondContact O-CB 3.37Å; R182-L185 PolarHBondContact O-N 3Å; L185-R188 HydrophobicContact CB-CG 3.68Å; L185-R188 HydrophobicContact CD1-CG 4.1Å; L185-R188 HydrophobicContact CG-CG 4.47Å
186	Q	95.1	Very high	98	Very high	56 Å²	56	39.3 Å²	39.3	26%	0.262	21%	0.208	S	C	.	.	S	Bend	trans	-110.1	146	174.4	-65.8	-60.5	-39.6	0	0	111.3	R188	Q186-R188 PolarHBondContact O-N 2.95Å; Q186-R188 PolarHBondContact O-NH1 2.77Å
187	G	94.9	Very high	97.9	Very high	46 Å²	46	42.3 Å²	42.3	47%	0.474	22%	0.222	S	C	.	.	S	Bend	trans	55.1	36.9	173.4	0	0	0	0	0	113.9
188	R	97.7	Very high	97.8	Very high	106 Å²	106	46.8 Å²	46.8	40%	0.4	25%	0.251	S	S	.	.			trans	-102.8	150.2	175	-57.1	-56.5	177.3	-114.6	2.5	111.5	R182 L185 Q186 N194 I278	R182-R188 PolarHBondContact NH1-O 2.77Å; L185-R188 HydrophobicContact CB-CG 3.68Å; L185-R188 HydrophobicContact CD1-CG 4.1Å; L185-R188 HydrophobicContact CG-CG 4.47Å; Q186-R188 PolarHBondContact O-N 2.95Å; Q186-R188 PolarHBondContact O-NH1 2.77Å; R188-N194 VanDerWaalsContact CA-OD1 3.23Å; R188-N194 WeakPolarHBondContact CA-OD1 3.31Å; R188-N194 VanDerWaalsContact CD-OD1 3.25Å; R188-N194 WeakPolarHBondContact CD-OD1 3.35Å; R188-I278 VanDerWaalsContact O-CG2 3.28Å; R188-I278 WeakPolarHBondContact O-CG2 3.26Å
189	T	98.1	Very high	97.7	Very high	54 Å²	54	50.9 Å²	50.9	33%	0.331	27%	0.274	S	S	.	.	S	Bend	trans	-75	-40.7	178.9	-50.8	0	0	0	0	112.3	N194 R277 I278	T189-N194 PolarHBondContact N-OD1 3.29Å; T189-R277 HydrophobicContact CG2-CB 3.99Å; T189-R277 WeakPolarHBondContact O-CB 3.28Å; T189-I278 VanDerWaalsContact O-CG2 3.31Å; T189-I278 WeakPolarHBondContact O-CG2 3.42Å; T189-I278 PolarHBondContact O-N 3.49Å
190	Y	98.7	Very high	97.7	Very high	23 Å²	23	51.8 Å²	51.8	9%	0.09	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-120.7	158.9	-177.3	-50.4	-69	0	0	0	110.1	W192 G193 F196 M239 V268	Y190-W192 HydrophobicContact CG-CZ2 4.33Å; Y190-W192 PolarHBondContact O-N 2.89Å; Y190-G193 WeakPolarHBondContact CA-O 3.48Å; Y190-G193 WeakPolarHBondContact CB-O 3.02Å; Y190-G193 WeakPolarHBondContact CD2-O 3.07Å; Y190-G193 PolarHBondContact N-O 3Å; Y190-G193 PolarHBondContact O-N 2.92Å; Y190-F196 HydrophobicContact CE1-CD2 4.11Å; Y190-F196 HydrophobicContact CE2-CB 3.9Å; Y190-M239 HydrophobicContact CD1-CE 3.89Å; Y190-M239 HydrophobicContact CD1-SD 3.67Å; Y190-M239 HydrophobicContact CE1-CE 4.42Å; Y190-M239 HydrophobicContact CE1-SD 4.37Å; Y190-V268 HydrophobicContact CE1-CG2 4.32Å; Y190-V268 WeakPolarHBondContact OH-CG2 3.5Å
191	P	98.6	Very high	97.7	Very high	1 Å²	1	52 Å²	52	1%	0.006	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-28.7	175	-29.5	36.9	0	0	0	114.5	A181 Q230 N231 M239 I278	A181-P191 WeakPolarHBondContact O-CB 3.5Å; P191-Q230 CarbonylContact C-O 3.59Å; P191-Q230 HydrophobicContact CB-CB 3.89Å; P191-Q230 HydrophobicContact CG-CB 4.35Å; P191-N231 HydrophobicContact CB-CB 4.12Å; P191-M239 HydrophobicContact CG-CB 4.09Å; P191-I278 HydrophobicContact CG-CD1 4.27Å
192	W	98.4	Very high	97.7	Very high	32 Å²	32	52 Å²	52	12%	0.121	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	3.6	-178.7	54.1	82.4	0	0	0	115.1	Y190 K195 F196 R200 T201 Q230 M239	Y190-W192 HydrophobicContact CG-CZ2 4.33Å; Y190-W192 PolarHBondContact O-N 2.89Å; W192-K195 PolarHBondContact NE1-O 2.82Å; W192-F196 HydrophobicContact CZ2-CD2 4.21Å; W192-F196 HydrophobicContact CZ2-CE2 4.35Å; W192-R200 VanDerWaalsContact CB-NH1 3.32Å; W192-R200 HydrophobicContact CD2-CB 4.22Å; W192-R200 HydrophobicContact CD2-CG 4.41Å; W192-R200 HydrophobicContact CE3-CB 4.03Å; W192-R200 HydrophobicContact CH2-CB 3.45Å; W192-R200 VanDerWaalsContact CH2-CB 3.45Å; W192-R200 HydrophobicContact CZ2-CB 3.68Å; W192-R200 HydrophobicContact CZ2-CG 4.33Å; W192-R200 HydrophobicContact CZ3-CB 3.66Å; W192-T201 HydrophobicContact CH2-CG2 3.92Å; W192-Q230 HydrophobicContact CE3-CB 4.05Å; W192-Q230 HydrophobicContact CE3-CG 4.26Å; W192-Q230 HydrophobicContact CZ3-CB 4.12Å; W192-Q230 HydrophobicContact CZ3-CG 3.88Å; W192-Q230 PolarHBondContact N-O 2.85Å; W192-M239 HydrophobicContact CH2-CE 3.4Å; W192-M239 HydrophobicContact CZ2-CE 3.92Å; W192-M239 HydrophobicContact CZ3-CE 4.24Å
193	G	98.2	Very high	97.7	Very high	11 Å²	11	51.8 Å²	51.8	11%	0.113	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	133.9	-152.8	178.5	0	0	0	0	0	114.2	Y190	Y190-G193 WeakPolarHBondContact CA-O 3.48Å; Y190-G193 WeakPolarHBondContact CB-O 3.02Å; Y190-G193 WeakPolarHBondContact CD2-O 3.07Å; Y190-G193 PolarHBondContact N-O 3Å; Y190-G193 PolarHBondContact O-N 2.92Å
194	N	98.2	Very high	97.7	Very high	89 Å²	89	52 Å²	52	48%	0.476	28%	0.278	S	S	.	.	S	Bend	trans	-101.9	-15.7	-172.5	-71.1	-20.3	0	0	0	114.7	R188 T189	R188-N194 VanDerWaalsContact CA-OD1 3.23Å; R188-N194 WeakPolarHBondContact CA-OD1 3.31Å; R188-N194 VanDerWaalsContact CD-OD1 3.25Å; R188-N194 WeakPolarHBondContact CD-OD1 3.35Å; T189-N194 PolarHBondContact N-OD1 3.29Å
195	K	98.1	Very high	97.8	Very high	178 Å²	178	51.4 Å²	51.4	77%	0.774	26%	0.263	S	S	*	.	S	Bend	trans	-101.3	128.7	177.8	-65	-174.3	179.8	-176.6	0	108.5	W192	W192-K195 PolarHBondContact NE1-O 2.82Å
196	F	98.3	Very high	97.8	Very high	79 Å²	79	50.4 Å²	50.4	35%	0.346	27%	0.267	S	S	.	.			trans	-61.1	145.9	171.3	-174.9	-106.9	0	0	0	109.7	Y190 W192 T201 L203 M239 V268	Y190-F196 HydrophobicContact CE1-CD2 4.11Å; Y190-F196 HydrophobicContact CE2-CB 3.9Å; W192-F196 HydrophobicContact CZ2-CD2 4.21Å; W192-F196 HydrophobicContact CZ2-CE2 4.35Å; F196-T201 HydrophobicContact CE2-CG2 3.81Å; F196-T201 HydrophobicContact CZ-CG2 4.12Å; F196-L203 HydrophobicContact CE2-CD1 4.28Å; F196-M239 HydrophobicContact CE2-CE 4.44Å; F196-V268 HydrophobicContact CB-CG2 4.06Å; F196-V268 HydrophobicContact CD1-CG2 4.12Å; F196-V268 HydrophobicContact CD2-CB 4.28Å; F196-V268 HydrophobicContact CD2-CG2 3.38Å; F196-V268 HydrophobicContact CE1-CG2 4.43Å; F196-V268 HydrophobicContact CE2-CB 4.14Å; F196-V268 HydrophobicContact CE2-CG2 3.73Å; F196-V268 HydrophobicContact CG-CG2 3.58Å; F196-V268 HydrophobicContact CZ-CB 4.33Å; F196-V268 HydrophobicContact CZ-CG2 4.25Å
197	Q	98.1	Very high	98	Very high	82 Å²	82	55 Å²	55	38%	0.383	29%	0.288	S	S	.	.			trans	-132.7	128.4	177.4	-70.2	178.1	18.4	0	0	107.3	R200	Q197-R200 HydrophobicContact CB-CG 3.63Å
198	P	96.4	Very high	98.1	Very high	95 Å²	95	54.7 Å²	54.7	62%	0.617	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	158.9	174.7	29.2	-34.8	0	0	0	110.3	R200	P198-R200 VanDerWaalsContact C-N 3.26Å; P198-R200 PolarHBondContact O-N 3.26Å
199	N	96.5	Very high	98	Very high	89 Å²	89	51 Å²	51	48%	0.476	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	35.7	177.5	-49.2	-37.5	0	0	0	113.8	F227	N199-F227 HydrophobicContact CB-CD1 4.47Å; N199-F227 WeakPolarHBondContact O-CD1 3.39Å
200	R	98.3	Very high	97.8	Very high	38 Å²	38	53.6 Å²	53.6	14%	0.143	28%	0.275	C	S	.	.	S	Bend	trans	-117.2	-10.9	172.2	-63.4	-60.2	-60.7	-74.7	-0.3	113.3	W192 Q197 P198 P229 Q230	W192-R200 VanDerWaalsContact CB-NH1 3.32Å; W192-R200 HydrophobicContact CD2-CB 4.22Å; W192-R200 HydrophobicContact CD2-CG 4.41Å; W192-R200 HydrophobicContact CE3-CB 4.03Å; W192-R200 HydrophobicContact CH2-CB 3.45Å; W192-R200 VanDerWaalsContact CH2-CB 3.45Å; W192-R200 HydrophobicContact CZ2-CB 3.68Å; W192-R200 HydrophobicContact CZ2-CG 4.33Å; W192-R200 HydrophobicContact CZ3-CB 3.66Å; Q197-R200 HydrophobicContact CB-CG 3.63Å; P198-R200 VanDerWaalsContact C-N 3.26Å; P198-R200 PolarHBondContact O-N 3.26Å; R200-P229 PolarHBondContact NH2-O 3.32Å; R200-Q230 PolarHBondContact NH2-O 3.39Å; R200-Q230 WeakPolarHBondContact O-CG 3.48Å; R200-Q230 PolarHBondContact O-NE2 2.99Å
201	T	98.7	Very high	97.6	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.018	29%	0.292	C	S	.	.	S	Bend	trans	-161	150.7	-171	179.7	0	0	0	0	108.5	W192 F196 L203 M239 G240	W192-T201 HydrophobicContact CH2-CG2 3.92Å; F196-T201 HydrophobicContact CE2-CG2 3.81Å; F196-T201 HydrophobicContact CZ-CG2 4.12Å; T201-L203 HydrophobicContact CG2-CD1 3.76Å; T201-L203 HydrophobicContact CG2-CG 3.92Å; T201-M239 HydrophobicContact CG2-CE 3.69Å; T201-M239 PolarHBondContact OG1-O 3.21Å; T201-G240 WeakPolarHBondContact OG1-CA 3.41Å
202	N	98.9	Very high	97.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.298	C	S	.	.			trans	-92.2	119.4	167.7	179.1	6.4	0	0	0	109.3	D216 G220 F227 G240 N241	N202-D216 WeakPolarHBondContact CA-OD2 3.41Å; N202-G220 PolarHBondContact ND2-O 2.86Å; N202-F227 HydrophobicContact CB-CE2 3.74Å; N202-F227 HydrophobicContact CB-CZ 4.21Å; N202-G240 CarbonylContact O-C 3.14Å; N202-G240 VanDerWaalsContact O-CA 3.28Å; N202-G240 WeakPolarHBondContact O-CA 3.36Å; N202-N241 HydrophobicContact CB-CB 4.09Å; N202-N241 PolarHBondContact ND2-OD1 3.2Å; N202-N241 PolarHBondContact O-N 3Å
203	L	98.8	Very high	97.6	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	32%	0.315	C	S	.	.			trans	-144.5	178.2	-179.9	-70.3	-179.5	0	0	0	109.1	F196 T201 Q205 D216 M239 S263 W264 D266 V268 A276	F196-L203 HydrophobicContact CE2-CD1 4.28Å; T201-L203 HydrophobicContact CG2-CD1 3.76Å; T201-L203 HydrophobicContact CG2-CG 3.92Å; L203-Q205 PolarHBondContact O-NE2 3.06Å; L203-D216 PolarHBondContact N-OD2 3.46Å; L203-M239 HydrophobicContact CD1-CE 4.31Å; L203-S263 WeakPolarHBondContact CD2-O 3.12Å; L203-W264 CarbonylContact C-O 3.58Å; L203-D266 WeakPolarHBondContact CB-O 3.36Å; L203-V268 HydrophobicContact CD1-CB 4.44Å; L203-A276 HydrophobicContact CD1-CB 3.66Å; L203-A276 HydrophobicContact CD2-CB 3.61Å; L203-A276 HydrophobicContact CG-CB 4.33Å
204	W	98.8	Very high	97.6	Very high	6 Å²	6	58.9 Å²	58.9	2%	0.023	32%	0.322	C	S	.	.			trans	-86.2	139.1	176	-171	-81.2	0	0	0	110.8	F104 Q207 F208 P209 D212 W264 I265 D266 T267	F104-W204 HydrophobicContact CE1-CH2 4.28Å; F104-W204 HydrophobicContact CE1-CZ3 4.16Å; F104-W204 AromaticContact CZ-CH2 3.97Å; F104-W204 HydrophobicContact CZ-CH2 3.97Å; F104-W204 AromaticContact CZ-CZ3 3.9Å; F104-W204 HydrophobicContact CZ-CZ3 3.9Å; W204-Q207 VanDerWaalsContact CZ2-O 3.28Å; W204-Q207 WeakPolarHBondContact CZ2-O 3.42Å; W204-Q207 PolarHBondContact NE1-O 3.12Å; W204-Q207 VanDerWaalsContact NE1-O 3.15Å; W204-F208 AromaticContact CD2-CD2 3.73Å; W204-F208 HydrophobicContact CD2-CD2 3.73Å; W204-F208 AromaticContact CE2-CD2 3.73Å; W204-F208 AromaticContact CE3-CD2 3.86Å; W204-F208 HydrophobicContact CE3-CD2 3.86Å; W204-F208 HydrophobicContact CE3-CE2 4.22Å; W204-F208 HydrophobicContact CG-CD2 4.29Å; W204-F208 AromaticContact CH2-CD2 4Å; W204-F208 HydrophobicContact CH2-CD2 4Å; W204-F208 HydrophobicContact CH2-CE2 4.4Å; W204-F208 HydrophobicContact CZ2-CB 4.33Å; W204-F208 AromaticContact CZ2-CD2 3.88Å; W204-F208 HydrophobicContact CZ2-CD2 3.88Å; W204-F208 AromaticContact CZ3-CD2 3.97Å; W204-F208 HydrophobicContact CZ3-CD2 3.97Å; W204-F208 HydrophobicContact CZ3-CE2 4.14Å; W204-P209 WeakPolarHBondContact CH2-O 3.4Å; W204-P209 WeakPolarHBondContact CZ2-O 3.32Å; W204-D212 HydrophobicContact CD2-CB 3.98Å; W204-D212 HydrophobicContact CE3-CB 3.99Å; W204-D212 HydrophobicContact CH2-CB 3.63Å; W204-D212 HydrophobicContact CZ2-CB 3.57Å; W204-D212 VanDerWaalsContact CZ2-N 3.27Å; W204-D212 HydrophobicContact CZ3-CB 3.84Å; W204-W264 WeakPolarHBondContact CA-O 3.44Å; W204-W264 HydrophobicContact CE3-CE3 4.11Å; W204-W264 AromaticContact CE3-CZ3 3.72Å; W204-W264 HydrophobicContact CE3-CZ3 3.72Å; W204-W264 HydrophobicContact CZ3-CE3 4.36Å; W204-W264 HydrophobicContact CZ3-CH2 4.12Å; W204-W264 AromaticContact CZ3-CZ3 3.51Å; W204-W264 HydrophobicContact CZ3-CZ3 3.51Å; W204-W264 PolarHBondContact N-O 3.14Å; W204-I265 HydrophobicContact CE3-CG2 4.43Å; W204-D266 PolarHBondContact N-O 3.19Å; W204-T267 HydrophobicContact CB-CG2 4.04Å
205	Q	98.5	Very high	97.6	Very high	32 Å²	32	61.5 Å²	61.5	15%	0.15	33%	0.331	C	S	.	.			trans	-126.9	134.5	168.7	-61.4	93.3	56.8	0	0	110.3	L203 D212 T213 E215 D216	L203-Q205 PolarHBondContact O-NE2 3.06Å; Q205-D212 PolarHBondContact N-OD1 3.09Å; Q205-D212 CarbonylContact O-C 3.45Å; Q205-D212 VanDerWaalsContact O-CA 3.28Å; Q205-D212 WeakPolarHBondContact O-CA 3.43Å; Q205-T213 WeakPolarHBondContact CB-OG1 3.19Å; Q205-T213 PolarHBondContact O-N 2.82Å; Q205-T213 PolarHBondContact O-OG1 2.83Å; Q205-E215 HydrophobicContact CB-CB 4.34Å; Q205-E215 HydrophobicContact CB-CG 4.31Å; Q205-E215 HydrophobicContact CG-CB 4.08Å; Q205-D216 PolarHBondContact NE2-OD2 3.46Å; Q205-D216 PolarHBondContact OE1-OD2 3.16Å
206	G	97.4	Very high	97.6	Very high	37 Å²	37	53.7 Å²	53.7	38%	0.381	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	103.6	-160	-178.2	0	0	0	0	0	113.9
207	Q	97.5	Very high	97.6	Very high	153 Å²	153	52.6 Å²	52.6	72%	0.715	31%	0.309	S	S	*	.	S	Bend	trans	-83.1	136.3	-178.9	-67.5	-62.3	-66.3	0	0	109.6	W204 D210 G211	W204-Q207 VanDerWaalsContact CZ2-O 3.28Å; W204-Q207 WeakPolarHBondContact CZ2-O 3.42Å; W204-Q207 PolarHBondContact NE1-O 3.12Å; W204-Q207 VanDerWaalsContact NE1-O 3.15Å; Q207-D210 CarbonylContact C-O 3.46Å; Q207-D210 CarbonylContact O-C 3.57Å; Q207-G211 PolarHBondContact N-O 3.3Å; Q207-G211 CarbonylContact O-C 3.52Å; Q207-G211 PolarHBondContact O-N 2.74Å
208	F	97.6	Very high	97.7	Very high	38 Å²	38	52 Å²	52	17%	0.167	30%	0.304	C	S	.	.	S	Bend	trans	-109.2	144.2	177.7	-178.6	-87.2	0	0	0	109.7	F104 W125 W204 I265 A272 N273	F104-F208 AromaticContact CE2-CE2 3.78Å; F104-F208 HydrophobicContact CE2-CE2 3.78Å; F104-F208 AromaticContact CE2-CZ 3.88Å; F104-F208 HydrophobicContact CE2-CZ 3.88Å; F104-F208 HydrophobicContact CZ-CE2 4.06Å; F104-F208 HydrophobicContact CZ-CZ 4.47Å; W125-F208 AromaticContact CD1-CZ 3.8Å; W125-F208 AromaticContact CD2-CE1 3.51Å; W125-F208 HydrophobicContact CD2-CE1 3.51Å; W125-F208 AromaticContact CD2-CZ 3.64Å; W125-F208 HydrophobicContact CD2-CZ 3.64Å; W125-F208 AromaticContact CE2-CE1 3.51Å; W125-F208 AromaticContact CE2-CZ 3.54Å; W125-F208 AromaticContact CE3-CE1 3.65Å; W125-F208 HydrophobicContact CE3-CE1 3.65Å; W125-F208 HydrophobicContact CE3-CZ 4.25Å; W125-F208 HydrophobicContact CG-CE1 4.15Å; W125-F208 AromaticContact CG-CZ 3.82Å; W125-F208 HydrophobicContact CG-CZ 3.82Å; W125-F208 AromaticContact CH2-CE1 3.81Å; W125-F208 HydrophobicContact CH2-CE1 3.81Å; W125-F208 AromaticContact CZ2-CE1 3.67Å; W125-F208 HydrophobicContact CZ2-CE1 3.67Å; W125-F208 HydrophobicContact CZ2-CZ 4.07Å; W125-F208 AromaticContact CZ3-CE1 3.8Å; W125-F208 HydrophobicContact CZ3-CE1 3.8Å; W125-F208 AromaticContact NE1-CZ 3.61Å; W204-F208 AromaticContact CD2-CD2 3.73Å; W204-F208 HydrophobicContact CD2-CD2 3.73Å; W204-F208 AromaticContact CE2-CD2 3.73Å; W204-F208 AromaticContact CE3-CD2 3.86Å; W204-F208 HydrophobicContact CE3-CD2 3.86Å; W204-F208 HydrophobicContact CE3-CE2 4.22Å; W204-F208 HydrophobicContact CG-CD2 4.29Å; W204-F208 AromaticContact CH2-CD2 4Å; W204-F208 HydrophobicContact CH2-CD2 4Å; W204-F208 HydrophobicContact CH2-CE2 4.4Å; W204-F208 HydrophobicContact CZ2-CB 4.33Å; W204-F208 AromaticContact CZ2-CD2 3.88Å; W204-F208 HydrophobicContact CZ2-CD2 3.88Å; W204-F208 AromaticContact CZ3-CD2 3.97Å; W204-F208 HydrophobicContact CZ3-CD2 3.97Å; W204-F208 HydrophobicContact CZ3-CE2 4.14Å; F208-I265 HydrophobicContact CE2-CB 3.98Å; F208-I265 HydrophobicContact CE2-CG2 4.23Å; F208-A272 HydrophobicContact CB-CB 3.45Å; F208-A272 VanDerWaalsContact CB-CB 3.45Å; F208-A272 HydrophobicContact CD1-CB 4.13Å; F208-A272 HydrophobicContact CG-CB 3.8Å; F208-N273 WeakPolarHBondContact CE1-ND2 3.34Å; F208-N273 VanDerWaalsContact CE2-ND2 3.27Å; F208-N273 WeakPolarHBondContact CE2-ND2 3.48Å; F208-N273 WeakPolarHBondContact CZ-ND2 3.35Å
209	P	95.8	Very high	97.8	Very high	29 Å²	29	51 Å²	51	19%	0.188	29%	0.291	C	S	.	.	S	Bend	cis	-85.1	-4.2	-0.7	36.2	-36.3	0	0	0	113.9	F104 W125 W204	F104-P209 HydrophobicContact CE2-CB 4.42Å; F104-P209 HydrophobicContact CZ-CB 4.12Å; W125-P209 HydrophobicContact CB-CB 4.06Å; W125-P209 HydrophobicContact CE3-CB 4.44Å; W125-P209 HydrophobicContact CE3-CG 4.47Å; W125-P209 HydrophobicContact CG-CB 4.45Å; W204-P209 WeakPolarHBondContact CH2-O 3.4Å; W204-P209 WeakPolarHBondContact CZ2-O 3.32Å
210	D	94.4	Very high	97.9	Very high	108 Å²	108	47 Å²	47	58%	0.578	27%	0.27	S	S	*	.	S	Bend	trans	-110.2	114.8	-177.1	-50.7	-68.9	0	0	0	109.9	Q207	Q207-D210 CarbonylContact C-O 3.46Å; Q207-D210 CarbonylContact O-C 3.57Å
211	G	95.2	Very high	97.9	Very high	43 Å²	43	46 Å²	46	44%	0.443	27%	0.267	S	S	.	.			trans	114	45.2	174.2	0	0	0	0	0	115.2	Q207 T213	Q207-G211 PolarHBondContact N-O 3.3Å; Q207-G211 CarbonylContact O-C 3.52Å; Q207-G211 PolarHBondContact O-N 2.74Å; G211-T213 PolarHBondContact O-N 3.36Å
212	D	98.4	Very high	97.9	Very high	27 Å²	27	45.9 Å²	45.9	14%	0.144	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-61.5	120.4	162.4	-165.4	-1.7	0	0	0	109.7	W204 Q205 A214 H219	W204-D212 HydrophobicContact CD2-CB 3.98Å; W204-D212 HydrophobicContact CE3-CB 3.99Å; W204-D212 HydrophobicContact CH2-CB 3.63Å; W204-D212 HydrophobicContact CZ2-CB 3.57Å; W204-D212 VanDerWaalsContact CZ2-N 3.27Å; W204-D212 HydrophobicContact CZ3-CB 3.84Å; Q205-D212 PolarHBondContact N-OD1 3.09Å; Q205-D212 CarbonylContact O-C 3.45Å; Q205-D212 VanDerWaalsContact O-CA 3.28Å; Q205-D212 WeakPolarHBondContact O-CA 3.43Å; D212-A214 VanDerWaalsContact C-N 3.32Å; D212-A214 PolarHBondContact OD1-N 3.49Å; D212-A214 VanDerWaalsContact OD1-N 3.13Å; D212-H219 VanDerWaalsContact CB-ND1 3.32Å; D212-H219 WeakPolarHBondContact CB-ND1 3Å; D212-H219 WeakPolarHBondContact OD2-CA 3.4Å; D212-H219 IonicContact OD2-CE1 3.77Å; D212-H219 IonicContact OD2-CG 2.97Å; D212-H219 IonicContact OD2-ND1 2.75Å; D212-H219 PolarHBondContact OD2-ND1 3.38Å
213	T	98.3	Very high	97.9	Very high	77 Å²	77	46.5 Å²	46.5	47%	0.472	27%	0.271	S	S	.	.			trans	-84.1	-11.2	179.1	56.8	0	0	0	0	112.4	Q205 G211 E215	Q205-T213 WeakPolarHBondContact CB-OG1 3.19Å; Q205-T213 PolarHBondContact O-N 2.82Å; Q205-T213 PolarHBondContact O-OG1 2.83Å; G211-T213 PolarHBondContact O-N 3.36Å; T213-E215 PolarHBondContact O-N 3.44Å; T213-E215 WeakPolarHBondContact OG1-CG 3.32Å; T213-E215 PolarHBondContact OG1-OE1 3.44Å
214	A	98.1	Very high	97.8	Very high	31 Å²	31	46.8 Å²	46.8	26%	0.256	27%	0.273	S	S	.	.			trans	48.1	44	-179.8	0	0	0	0	0	112.6	D212 D216 G217 H219	D212-A214 VanDerWaalsContact C-N 3.32Å; D212-A214 PolarHBondContact OD1-N 3.49Å; D212-A214 VanDerWaalsContact OD1-N 3.13Å; A214-D216 PolarHBondContact O-N 2.91Å; A214-G217 WeakPolarHBondContact O-CA 2.8Å; A214-G217 PolarHBondContact O-N 3.48Å; A214-H219 HydrophobicContact CB-CB 4.39Å
215	E	98.3	Very high	97.7	Very high	144 Å²	144	47.7 Å²	47.7	67%	0.673	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.2	178.6	-73.3	171	-154.5	0	0	112	Q205 T213 G217	Q205-E215 HydrophobicContact CB-CB 4.34Å; Q205-E215 HydrophobicContact CB-CG 4.31Å; Q205-E215 HydrophobicContact CG-CB 4.08Å; T213-E215 PolarHBondContact O-N 3.44Å; T213-E215 WeakPolarHBondContact OG1-CG 3.32Å; T213-E215 PolarHBondContact OG1-OE1 3.44Å; E215-G217 VanDerWaalsContact C-N 3.28Å
216	D	98.1	Very high	97.7	Very high	14 Å²	14	47.8 Å²	47.8	8%	0.075	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-3.3	172.6	63.2	31.1	0	0	0	114.3	N202 L203 Q205 A214 Y218 F227	N202-D216 WeakPolarHBondContact CA-OD2 3.41Å; L203-D216 PolarHBondContact N-OD2 3.46Å; Q205-D216 PolarHBondContact NE2-OD2 3.46Å; Q205-D216 PolarHBondContact OE1-OD2 3.16Å; A214-D216 PolarHBondContact O-N 2.91Å; D216-Y218 PolarHBondContact OD1-N 3.43Å; D216-F227 HydrophobicContact CB-CE1 4.29Å; D216-F227 HydrophobicContact CB-CZ 4.13Å
217	G	98.4	Very high	97.7	Very high	56 Å²	56	46.9 Å²	46.9	58%	0.577	27%	0.273	S	S	*	.	S	Bend	trans	97	0.1	177.2	0	0	0	0	0	115.4	A214 E215	A214-G217 WeakPolarHBondContact O-CA 2.8Å; A214-G217 PolarHBondContact O-N 3.48Å; E215-G217 VanDerWaalsContact C-N 3.28Å
218	Y	98.6	Very high	97.8	Very high	70 Å²	70	43.1 Å²	43.1	28%	0.275	26%	0.262	S	S	.	.			trans	-132.4	130.9	-175.6	-60.2	-89.1	0	0	0	112.4	D216 S222 A226 F227	D216-Y218 PolarHBondContact OD1-N 3.43Å; Y218-S222 VanDerWaalsContact CE1-CB 3.48Å; Y218-S222 VanDerWaalsContact CG-CB 3.48Å; Y218-A226 HydrophobicContact CE2-CB 3.84Å; Y218-A226 VanDerWaalsContact OH-CB 3.28Å; Y218-A226 WeakPolarHBondContact OH-CB 3.27Å; Y218-F227 HydrophobicContact CD2-CE2 4.27Å; Y218-F227 AromaticContact CD2-CZ 3.82Å; Y218-F227 HydrophobicContact CD2-CZ 3.82Å; Y218-F227 HydrophobicContact CE2-CE2 4.19Å; Y218-F227 AromaticContact CE2-CZ 3.83Å; Y218-F227 HydrophobicContact CE2-CZ 3.83Å
219	H	98.5	Very high	97.8	Very high	75 Å²	75	43.5 Å²	43.5	35%	0.347	27%	0.268	S	S	.	.	S	Bend	trans	-109.8	108.2	160.9	174.7	60.8	0	0	0	107.4	D106 F107 D212 A214 W264	D106-H219 IonicContact OD2-CE1 2.65Å; D106-H219 IonicContact OD2-NE2 3.21Å; F107-H219 AromaticContact CE1-CD2 3.54Å; F107-H219 AromaticContact CE1-NE2 3.49Å; F107-H219 WeakPolarHBondContact CE1-NE2 3.32Å; F107-H219 AromaticContact CZ-CD2 3.99Å; F107-H219 AromaticContact CZ-NE2 3.89Å; D212-H219 VanDerWaalsContact CB-ND1 3.32Å; D212-H219 WeakPolarHBondContact CB-ND1 3Å; D212-H219 WeakPolarHBondContact OD2-CA 3.4Å; D212-H219 IonicContact OD2-CE1 3.77Å; D212-H219 IonicContact OD2-CG 2.97Å; D212-H219 IonicContact OD2-ND1 2.75Å; D212-H219 PolarHBondContact OD2-ND1 3.38Å; A214-H219 HydrophobicContact CB-CB 4.39Å; H219-W264 AromaticContact CE1-CZ3 4Å; H219-W264 AromaticContact ND1-CZ3 3.86Å
220	G	98.5	Very high	97.9	Very high	3 Å²	3	42.1 Å²	42.1	3%	0.031	26%	0.26	C	S	.	.	S	Bend	trans	100	-170.4	-165.1	0	0	0	0	0	112.8	F107 N202 W264	F107-G220 VanDerWaalsContact CZ-CA 3.46Å; N202-G220 PolarHBondContact ND2-O 2.86Å; G220-W264 VanDerWaalsContact CA-CD2 3.44Å; G220-W264 VanDerWaalsContact N-CE3 3.3Å
221	I	98.6	Very high	98.1	Very high	18 Å²	18	37.7 Å²	37.7	9%	0.092	24%	0.236	C	C	.	.			trans	-64.7	159	176.5	58.3	164.9	0	0	0	112.4	F150 P151 V153 N241 T242	F150-I221 HydrophobicContact CB-CD1 4.2Å; F150-I221 HydrophobicContact CD1-CD1 3.96Å; F150-I221 HydrophobicContact CD1-CG1 3.91Å; F150-I221 VanDerWaalsContact CE1-O 3.31Å; F150-I221 WeakPolarHBondContact CE1-O 3.4Å; P151-I221 HydrophobicContact CG-CB 4.45Å; P151-I221 HydrophobicContact CG-CD1 4.26Å; V153-I221 HydrophobicContact CG1-CD1 4.21Å; V153-I221 HydrophobicContact CG2-CD1 4.46Å; I221-N241 VanDerWaalsContact CA-OD1 3.31Å; I221-N241 WeakPolarHBondContact CA-OD1 3.36Å; I221-T242 HydrophobicContact CG2-CG2 3.55Å
222	S	98.8	Very high	98.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.249	C	C	.	.			trans	-123.7	162.8	-178.4	68.2	0	0	0	0	111	P151 Y218 N241	P151-S222 WeakPolarHBondContact CD-O 3.36Å; Y218-S222 VanDerWaalsContact CE1-CB 3.48Å; Y218-S222 VanDerWaalsContact CG-CB 3.48Å; S222-N241 PolarHBondContact N-OD1 3.48Å; S222-N241 PolarHBondContact O-ND2 2.83Å; S222-N241 VanDerWaalsContact OG-CG 3.26Å; S222-N241 PolarHBondContact OG-ND2 2.71Å; S222-N241 PolarHBondContact OG-OD1 3.03Å
223	S	98.4	Very high	98.2	Very high	14 Å²	14	41.4 Å²	41.4	10%	0.098	25%	0.25	C	S	.	.			trans	-56	143.3	170.9	172.2	0	0	0	0	110.6	D149 A225 A226	D149-S223 VanDerWaalsContact OD2-CB 3.24Å; D149-S223 WeakPolarHBondContact OD2-CB 3.49Å; D149-S223 PolarHBondContact OD2-OG 3.38Å; S223-A225 PolarHBondContact O-N 3.39Å; S223-A226 WeakPolarHBondContact O-CB 3.48Å; S223-A226 PolarHBondContact O-N 2.97Å
224	V	98.3	Very high	98.2	Very high	8 Å²	8	38.8 Å²	38.8	5%	0.048	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-14	-177.1	-62.7	0	0	0	0	114.3	Y75 P76 T78 D149 P151 Y236	Y75-V224 HydrophobicContact CD1-CB 4.06Å; Y75-V224 HydrophobicContact CD1-CG2 3.79Å; Y75-V224 WeakPolarHBondContact CD1-O 3.41Å; Y75-V224 HydrophobicContact CG-CB 4.4Å; Y75-V224 HydrophobicContact CG-CG2 3.97Å; P76-V224 HydrophobicContact CB-CG1 4.06Å; P76-V224 HydrophobicContact CG-CG1 4.12Å; T78-V224 HydrophobicContact CG2-CB 4.39Å; T78-V224 HydrophobicContact CG2-CG1 3.8Å; T78-V224 HydrophobicContact CG2-CG2 3.69Å; D149-V224 WeakPolarHBondContact O-CG2 3.25Å; D149-V224 PolarHBondContact O-N 3.22Å; D149-V224 VanDerWaalsContact O-N 3.12Å; P151-V224 HydrophobicContact CB-CG1 4.29Å; V224-Y236 WeakPolarHBondContact O-CB 3.08Å
225	A	95.6	Very high	98.3	Very high	25 Å²	25	37.3 Å²	37.3	21%	0.207	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	19.6	176.6	0	0	0	0	0	113.2	F33 Y75 S223 F227	F33-A225 HydrophobicContact CD1-CB 4.19Å; F33-A225 HydrophobicContact CE1-CB 3.37Å; F33-A225 HydrophobicContact CZ-CB 3.93Å; Y75-A225 HydrophobicContact CE1-CB 3.99Å; S223-A225 PolarHBondContact O-N 3.39Å; A225-F227 PolarHBondContact O-N 2.95Å
226	A	98.1	Very high	98.3	Very high	33 Å²	33	32.4 Å²	32.4	27%	0.273	20%	0.202	S	C	.	.	S	Bend	trans	-58.1	-34.4	179.6	0	0	0	0	0	113.2	Y218 S223	Y218-A226 HydrophobicContact CE2-CB 3.84Å; Y218-A226 VanDerWaalsContact OH-CB 3.28Å; Y218-A226 WeakPolarHBondContact OH-CB 3.27Å; S223-A226 WeakPolarHBondContact O-CB 3.48Å; S223-A226 PolarHBondContact O-N 2.97Å
227	F	98.5	Very high	98.3	Very high	19 Å²	19	32 Å²	32	8%	0.083	20%	0.2	C	C	.	.	S	Bend	trans	-114	160.6	179	-55.9	-77.3	0	0	0	111.4	N199 N202 D216 Y218 A225 Y236	N199-F227 HydrophobicContact CB-CD1 4.47Å; N199-F227 WeakPolarHBondContact O-CD1 3.39Å; N202-F227 HydrophobicContact CB-CE2 3.74Å; N202-F227 HydrophobicContact CB-CZ 4.21Å; D216-F227 HydrophobicContact CB-CE1 4.29Å; D216-F227 HydrophobicContact CB-CZ 4.13Å; Y218-F227 HydrophobicContact CD2-CE2 4.27Å; Y218-F227 AromaticContact CD2-CZ 3.82Å; Y218-F227 HydrophobicContact CD2-CZ 3.82Å; Y218-F227 HydrophobicContact CE2-CE2 4.19Å; Y218-F227 AromaticContact CE2-CZ 3.83Å; Y218-F227 HydrophobicContact CE2-CZ 3.83Å; A225-F227 PolarHBondContact O-N 2.95Å; F227-Y236 WeakPolarHBondContact O-CD1 3.16Å; F227-Y236 WeakPolarHBondContact O-CE1 3.48Å
228	P	98.3	Very high	98.3	Very high	73 Å²	73	29.4 Å²	29.4	47%	0.474	17%	0.173	S	C	.	.			trans	-58.7	161.8	171.6	-21.6	33.2	0	0	0	112	Q230	P228-Q230 PolarHBondContact O-N 2.96Å
229	P	98.2	Very high	98.3	Very high	46 Å²	46	26.1 Å²	26.1	30%	0.299	16%	0.16	S	C	.	.			trans	-50	135.6	171.9	-13.1	18.5	0	0	0	110.9	R200 N231 L235 Y236	R200-P229 PolarHBondContact NH2-O 3.32Å; P229-N231 VanDerWaalsContact C-N 3.3Å; P229-N231 PolarHBondContact O-N 2.84Å; P229-L235 CarbonylContact C-O 3.03Å; P229-L235 WeakPolarHBondContact CA-O 3.33Å; P229-Y236 HydrophobicContact CB-CD2 4.29Å; P229-Y236 HydrophobicContact CB-CE2 3.9Å; P229-Y236 VanDerWaalsContact CD-CZ 3.44Å; P229-Y236 WeakPolarHBondContact CD-OH 3.47Å; P229-Y236 HydrophobicContact CG-CD2 4.46Å; P229-Y236 HydrophobicContact CG-CE1 4.1Å; P229-Y236 HydrophobicContact CG-CE2 3.62Å; P229-Y236 VanDerWaalsContact CG-CZ 3.42Å; P229-Y236 WeakPolarHBondContact CG-OH 3.38Å
230	Q	98.6	Very high	98.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	14%	0.143	C	C	.	.	S	Bend	trans	-79.1	-20.2	-174.2	-71.6	-172.5	-23.9	0	0	112.1	P191 W192 R200 P228 L235 M239	P191-Q230 CarbonylContact C-O 3.59Å; P191-Q230 HydrophobicContact CB-CB 3.89Å; P191-Q230 HydrophobicContact CG-CB 4.35Å; W192-Q230 HydrophobicContact CE3-CB 4.05Å; W192-Q230 HydrophobicContact CE3-CG 4.26Å; W192-Q230 HydrophobicContact CZ3-CB 4.12Å; W192-Q230 HydrophobicContact CZ3-CG 3.88Å; W192-Q230 PolarHBondContact N-O 2.85Å; R200-Q230 PolarHBondContact NH2-O 3.39Å; R200-Q230 WeakPolarHBondContact O-CG 3.48Å; R200-Q230 PolarHBondContact O-NE2 2.99Å; P228-Q230 PolarHBondContact O-N 2.96Å; Q230-L235 PolarHBondContact N-O 3.36Å; Q230-M239 PolarHBondContact NE2-O 2.92Å
231	N	98.5	Very high	98.3	Very high	15 Å²	15	22.4 Å²	22.4	8%	0.08	14%	0.142	C	C	.	.	S	Bend	trans	-148.7	175.8	-175	73.3	29.3	0	0	0	113.5	A180 A181 P191 P229 Y233 G234 L235	A180-N231 PolarHBondContact O-ND2 2.88Å; A181-N231 PolarHBondContact O-ND2 3.07Å; P191-N231 HydrophobicContact CB-CB 4.12Å; P229-N231 VanDerWaalsContact C-N 3.3Å; P229-N231 PolarHBondContact O-N 2.84Å; N231-Y233 PolarHBondContact O-N 3.5Å; N231-Y233 WeakPolarHBondContact OD1-CB 3.45Å; N231-Y233 PolarHBondContact OD1-N 2.89Å; N231-G234 PolarHBondContact O-N 2.94Å; N231-G234 PolarHBondContact OD1-N 2.92Å; N231-L235 PolarHBondContact OD1-N 2.84Å
232	S	98.1	Very high	98.3	Very high	102 Å²	102	21.6 Å²	21.6	71%	0.713	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-10.5	-173.9	-47	0	0	0	0	114.6	G183	G183-S232 WeakPolarHBondContact O-CB 3.37Å
233	Y	98.4	Very high	98.3	Very high	46 Å²	46	21.9 Å²	21.9	18%	0.18	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.7	170.8	-61.9	-24	0	0	0	112.2	V39 I41 P42 G184 N231 L235	V39-Y233 WeakPolarHBondContact CG1-O 3.42Å; I41-Y233 HydrophobicContact CD1-CD2 3.66Å; I41-Y233 HydrophobicContact CD1-CE2 4.35Å; I41-Y233 HydrophobicContact CD1-CG 4.01Å; I41-Y233 HydrophobicContact CG2-CD2 4.3Å; I41-Y233 HydrophobicContact CG2-CE2 3.94Å; P42-Y233 HydrophobicContact CG-CE1 4.2Å; G184-Y233 PolarHBondContact N-OH 3.09Å; N231-Y233 PolarHBondContact O-N 3.5Å; N231-Y233 WeakPolarHBondContact OD1-CB 3.45Å; N231-Y233 PolarHBondContact OD1-N 2.89Å; Y233-L235 VanDerWaalsContact C-N 3.29Å; Y233-L235 PolarHBondContact O-N 2.91Å
234	G	98.1	Very high	98.3	Very high	21 Å²	21	21.2 Å²	21.2	22%	0.216	13%	0.134	C	C	.	.			trans	75.4	18.7	179.2	0	0	0	0	0	113.4	K74 N231 Y236	K74-G234 WeakPolarHBondContact CG-O 3.46Å; N231-G234 PolarHBondContact O-N 2.94Å; N231-G234 PolarHBondContact OD1-N 2.92Å; G234-Y236 VanDerWaalsContact O-CD2 3.25Å; G234-Y236 WeakPolarHBondContact O-CD2 3.42Å; G234-Y236 VanDerWaalsContact O-CE2 3.31Å; G234-Y236 WeakPolarHBondContact O-CE2 3.42Å
235	L	98.6	Very high	98.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.132	C	C	.	.			trans	-80.7	141.4	177.8	-57.9	178	0	0	0	110.9	V39 I41 I72 A180 P229 Q230 N231 Y233 M238	V39-L235 HydrophobicContact CB-CD2 4.23Å; V39-L235 HydrophobicContact CG2-CD2 3.97Å; I41-L235 HydrophobicContact CD1-CD1 4.32Å; I72-L235 HydrophobicContact CG2-CD1 3.98Å; I72-L235 HydrophobicContact CG2-CD2 3.76Å; A180-L235 HydrophobicContact CB-CD1 3.65Å; A180-L235 WeakPolarHBondContact O-CD1 3.48Å; P229-L235 CarbonylContact C-O 3.03Å; P229-L235 WeakPolarHBondContact CA-O 3.33Å; Q230-L235 PolarHBondContact N-O 3.36Å; N231-L235 PolarHBondContact OD1-N 2.84Å; Y233-L235 VanDerWaalsContact C-N 3.29Å; Y233-L235 PolarHBondContact O-N 2.91Å; L235-M238 HydrophobicContact CB-CG 3.91Å; L235-M238 HydrophobicContact CB-SD 4.01Å; L235-M238 HydrophobicContact CD1-CG 4.45Å; L235-M238 HydrophobicContact CD1-SD 3.92Å
236	Y	98.8	Very high	98.5	Very high	41 Å²	41	19.7 Å²	19.7	16%	0.161	12%	0.122	C	C	.	.			trans	-108.1	150.1	179.1	-70.3	-109.4	0	0	0	109.5	K74 Y75 V224 F227 P229 G234 M238 R296	K74-Y236 HydrophobicContact CG-CD2 3.97Å; K74-Y236 HydrophobicContact CG-CE2 4.33Å; K74-Y236 PolarHBondContact O-N 2.89Å; Y75-Y236 HydrophobicContact CD1-CD1 4.46Å; Y75-Y236 AromaticContact CD1-CD2 3.99Å; Y75-Y236 HydrophobicContact CD1-CD2 3.99Å; Y75-Y236 AromaticContact CD1-CG 3.8Å; Y75-Y236 HydrophobicContact CD1-CG 3.8Å; Y75-Y236 AromaticContact CE1-CD1 3.82Å; Y75-Y236 HydrophobicContact CE1-CD1 3.82Å; Y75-Y236 AromaticContact CE1-CD2 3.35Å; Y75-Y236 HydrophobicContact CE1-CD2 3.35Å; Y75-Y236 HydrophobicContact CE1-CE1 4.17Å; Y75-Y236 AromaticContact CE1-CE2 3.78Å; Y75-Y236 HydrophobicContact CE1-CE2 3.78Å; Y75-Y236 AromaticContact CE1-CG 3.37Å; Y75-Y236 HydrophobicContact CE1-CG 3.37Å; Y75-Y236 AromaticContact CZ-CD2 3.85Å; Y75-Y236 AromaticContact CZ-CE2 3.92Å; V224-Y236 WeakPolarHBondContact O-CB 3.08Å; F227-Y236 WeakPolarHBondContact O-CD1 3.16Å; F227-Y236 WeakPolarHBondContact O-CE1 3.48Å; P229-Y236 HydrophobicContact CB-CD2 4.29Å; P229-Y236 HydrophobicContact CB-CE2 3.9Å; P229-Y236 VanDerWaalsContact CD-CZ 3.44Å; P229-Y236 WeakPolarHBondContact CD-OH 3.47Å; P229-Y236 HydrophobicContact CG-CD2 4.46Å; P229-Y236 HydrophobicContact CG-CE1 4.1Å; P229-Y236 HydrophobicContact CG-CE2 3.62Å; P229-Y236 VanDerWaalsContact CG-CZ 3.42Å; P229-Y236 WeakPolarHBondContact CG-OH 3.38Å; G234-Y236 VanDerWaalsContact O-CD2 3.25Å; G234-Y236 WeakPolarHBondContact O-CD2 3.42Å; G234-Y236 VanDerWaalsContact O-CE2 3.31Å; G234-Y236 WeakPolarHBondContact O-CE2 3.42Å; Y236-M238 PolarHBondContact O-N 3.07Å; Y236-M238 VanDerWaalsContact O-N 3.07Å; Y236-R296 PolarHBondContact O-NH1 3.11Å; Y236-R296 VanDerWaalsContact O-NH1 3.13Å; Y236-R296 PolarHBondContact O-NH2 2.93Å
237	D	97.7	Very high	98.5	Very high	7 Å²	7	20.2 Å²	20.2	4%	0.037	12%	0.124	C	C	.	.			trans	57.3	32.7	162.9	-142.3	38.8	0	0	0	114.4	P76 N241 R296	P76-D237 HydrophobicContact CG-CB 4.02Å; D237-N241 VanDerWaalsContact CG-CB 3.41Å; D237-N241 WeakPolarHBondContact OD1-CB 3.32Å; D237-N241 WeakPolarHBondContact OD2-CB 2.94Å; D237-N241 VanDerWaalsContact OD2-CG 3.31Å; D237-N241 PolarHBondContact OD2-ND2 3.2Å; D237-R296 VanDerWaalsContact C-NH2 3.32Å; D237-R296 PolarHBondContact O-NH2 3.15Å
238	M	98.6	Very high	98.6	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	13%	0.128	C	C	.	.	S	Bend	trans	-71.5	-42	172.9	-59.7	-65.4	-56.4	0	0	109.3	W177 A180 A181 L235 Y236 G261 R296	W177-M238 HydrophobicContact CD2-CE 3.71Å; W177-M238 VanDerWaalsContact CE2-CE 3.45Å; W177-M238 HydrophobicContact CE3-CE 4.27Å; W177-M238 HydrophobicContact CG-CE 4.07Å; W177-M238 HydrophobicContact CH2-CB 4.21Å; W177-M238 HydrophobicContact CH2-CE 4.28Å; W177-M238 WeakPolarHBondContact CH2-O 3.47Å; W177-M238 HydrophobicContact CZ2-CB 4.19Å; W177-M238 HydrophobicContact CZ2-CE 3.8Å; W177-M238 WeakPolarHBondContact CZ2-O 3.46Å; W177-M238 WeakPolarHBondContact O-CE 3.24Å; A180-M238 HydrophobicContact CB-CE 4.29Å; A181-M238 HydrophobicContact CB-CB 3.96Å; A181-M238 HydrophobicContact CB-CE 3.69Å; A181-M238 HydrophobicContact CB-CG 4.25Å; L235-M238 HydrophobicContact CB-CG 3.91Å; L235-M238 HydrophobicContact CB-SD 4.01Å; L235-M238 HydrophobicContact CD1-CG 4.45Å; L235-M238 HydrophobicContact CD1-SD 3.92Å; Y236-M238 PolarHBondContact O-N 3.07Å; Y236-M238 VanDerWaalsContact O-N 3.07Å; M238-G261 WeakPolarHBondContact O-CA 2.91Å; M238-R296 PolarHBondContact SD-NH1 3.3Å; M238-R296 PolarHBondContact SD-NH2 3.19Å
239	M	98.3	Very high	98.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.138	C	C	.	.	S	Bend	trans	-106.2	133.4	174.7	-167.9	-175.5	86	0	0	109.7	Y190 P191 W192 F196 T201 L203 Q230 G261	Y190-M239 HydrophobicContact CD1-CE 3.89Å; Y190-M239 HydrophobicContact CD1-SD 3.67Å; Y190-M239 HydrophobicContact CE1-CE 4.42Å; Y190-M239 HydrophobicContact CE1-SD 4.37Å; P191-M239 HydrophobicContact CG-CB 4.09Å; W192-M239 HydrophobicContact CH2-CE 3.4Å; W192-M239 HydrophobicContact CZ2-CE 3.92Å; W192-M239 HydrophobicContact CZ3-CE 4.24Å; F196-M239 HydrophobicContact CE2-CE 4.44Å; T201-M239 HydrophobicContact CG2-CE 3.69Å; T201-M239 PolarHBondContact OG1-O 3.21Å; L203-M239 HydrophobicContact CD1-CE 4.31Å; Q230-M239 PolarHBondContact NE2-O 2.92Å; M239-G261 CarbonylContact C-O 2.99Å; M239-G261 WeakPolarHBondContact CA-O 3.3Å
240	G	98.6	Very high	98.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	81.3	-168.8	179.1	0	0	0	0	0	114.5	T201 N202 T242 G261	T201-G240 WeakPolarHBondContact OG1-CA 3.41Å; N202-G240 CarbonylContact O-C 3.14Å; N202-G240 VanDerWaalsContact O-CA 3.28Å; N202-G240 WeakPolarHBondContact O-CA 3.36Å; G240-T242 VanDerWaalsContact C-N 3.29Å; G240-T242 PolarHBondContact O-N 2.85Å; G240-G261 PolarHBondContact N-O 2.85Å
241	N	98.8	Very high	98.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	61.6	-74.3	-175.1	-157.8	30.6	0	0	0	114	N202 I221 S222 D237 W264	N202-N241 HydrophobicContact CB-CB 4.09Å; N202-N241 PolarHBondContact ND2-OD1 3.2Å; N202-N241 PolarHBondContact O-N 3Å; I221-N241 VanDerWaalsContact CA-OD1 3.31Å; I221-N241 WeakPolarHBondContact CA-OD1 3.36Å; S222-N241 PolarHBondContact N-OD1 3.48Å; S222-N241 PolarHBondContact O-ND2 2.83Å; S222-N241 VanDerWaalsContact OG-CG 3.26Å; S222-N241 PolarHBondContact OG-ND2 2.71Å; S222-N241 PolarHBondContact OG-OD1 3.03Å; D237-N241 VanDerWaalsContact CG-CB 3.41Å; D237-N241 WeakPolarHBondContact OD1-CB 3.32Å; D237-N241 WeakPolarHBondContact OD2-CB 2.94Å; D237-N241 VanDerWaalsContact OD2-CG 3.31Å; D237-N241 PolarHBondContact OD2-ND2 3.2Å; N241-W264 VanDerWaalsContact O-CD1 3.3Å; N241-W264 PolarHBondContact O-N 3.15Å
242	T	98.9	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-134.6	143.8	176.1	56.2	0	0	0	0	110.9	P151 V153 I221 G240 A262 N292 S294	P151-T242 HydrophobicContact CB-CG2 4.11Å; P151-T242 HydrophobicContact CG-CG2 3.66Å; V153-T242 HydrophobicContact CG1-CG2 3.93Å; I221-T242 HydrophobicContact CG2-CG2 3.55Å; G240-T242 VanDerWaalsContact C-N 3.29Å; G240-T242 PolarHBondContact O-N 2.85Å; T242-A262 CarbonylContact C-O 3.4Å; T242-N292 CarbonylContact C-O 3.49Å; T242-N292 VanDerWaalsContact CA-O 3.28Å; T242-N292 WeakPolarHBondContact CA-O 3.2Å; T242-S294 VanDerWaalsContact OG1-CB 3.32Å; T242-S294 WeakPolarHBondContact OG1-CB 3.47Å
243	W	98.9	Very high	97.6	Very high	7 Å²	7	33.7 Å²	33.7	3%	0.027	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	149	162.4	-75.9	99.9	0	0	0	110.4	L259 R260 A262 S263 D266 H274 T280 M282 N292 L293 S294	W243-L259 HydrophobicContact CB-CB 4.37Å; W243-L259 HydrophobicContact CB-CD1 4.24Å; W243-L259 HydrophobicContact CD2-CB 4.19Å; W243-L259 HydrophobicContact CE3-CB 3.6Å; W243-L259 HydrophobicContact CG-CD1 4.4Å; W243-L259 HydrophobicContact CZ3-CB 4.17Å; W243-R260 VanDerWaalsContact CE3-C 3.48Å; W243-A262 HydrophobicContact CH2-CB 4.49Å; W243-A262 HydrophobicContact CZ2-CB 4.28Å; W243-A262 PolarHBondContact N-O 3.22Å; W243-S263 VanDerWaalsContact CD1-CB 3.47Å; W243-S263 PolarHBondContact NE1-OG 2.84Å; W243-D266 PolarHBondContact NE1-OD2 2.98Å; W243-H274 HydrophobicContact CZ2-CB 4.42Å; W243-H274 AromaticContact CZ2-CE1 3.81Å; W243-H274 AromaticContact CZ2-CG 3.85Å; W243-H274 AromaticContact CZ2-ND1 3.58Å; W243-T280 HydrophobicContact CH2-CG2 3.68Å; W243-T280 HydrophobicContact CZ2-CG2 4.4Å; W243-T280 HydrophobicContact CZ3-CG2 4.39Å; W243-M282 HydrophobicContact CD2-CG 4.37Å; W243-M282 HydrophobicContact CD2-SD 4.24Å; W243-M282 HydrophobicContact CE3-CG 4.2Å; W243-M282 HydrophobicContact CH2-CB 4.24Å; W243-M282 HydrophobicContact CH2-CG 3.72Å; W243-M282 HydrophobicContact CH2-SD 4.1Å; W243-M282 HydrophobicContact CZ2-CG 3.99Å; W243-M282 HydrophobicContact CZ2-SD 3.72Å; W243-M282 HydrophobicContact CZ3-CG 3.88Å; W243-N292 PolarHBondContact N-O 3.4Å; W243-L293 HydrophobicContact CB-CD1 3.69Å; W243-S294 CarbonylContact O-C 3.58Å; W243-S294 PolarHBondContact O-N 2.95Å
244	E	98.9	Very high	97.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.3	178	-67.2	-172.6	-174.6	0	0	112.8	W177 L259 R260 S294 R296	W177-E244 PolarHBondContact NE1-OE2 2.73Å; E244-L259 WeakPolarHBondContact O-CA 3.28Å; E244-R260 PolarHBondContact N-O 3.12Å; E244-R260 PolarHBondContact O-N 3.37Å; E244-S294 WeakPolarHBondContact CA-O 3.32Å; E244-R296 VanDerWaalsContact CD-NE 3.26Å; E244-R296 IonicContact OE1-CZ 3.52Å; E244-R296 IonicContact OE1-NE 3.68Å; E244-R296 PolarHBondContact OE1-NE 2.94Å; E244-R296 IonicContact OE1-NH2 3.46Å; E244-R296 PolarHBondContact OE1-NH2 3.48Å; E244-R296 WeakPolarHBondContact OE2-CD 3.42Å; E244-R296 VanDerWaalsContact OE2-CG 3.31Å; E244-R296 WeakPolarHBondContact OE2-CG 3.21Å; E244-R296 IonicContact OE2-CZ 2.68Å; E244-R296 IonicContact OE2-NE 2.67Å; E244-R296 PolarHBondContact OE2-NE 2.71Å; E244-R296 IonicContact OE2-NH2 3.53Å
245	W	98.9	Very high	97.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	137.9	170.9	-73.2	114.6	0	0	0	112.5	V155 W157 A160 L171 L259 N284 T285 L293 S294 F295	V155-W245 PolarHBondContact O-NE1 2.95Å; W157-W245 HydrophobicContact CB-CD2 3.73Å; W157-W245 HydrophobicContact CB-CE3 3.76Å; W157-W245 HydrophobicContact CB-CG 4.32Å; W157-W245 HydrophobicContact CB-CH2 4.15Å; W157-W245 HydrophobicContact CB-CZ2 4.09Å; W157-W245 HydrophobicContact CB-CZ3 4Å; W157-W245 AromaticContact CD1-CD2 3.9Å; W157-W245 AromaticContact CD1-CE3 3.55Å; W157-W245 HydrophobicContact CG-CD2 4.26Å; W157-W245 HydrophobicContact CG-CE3 4.04Å; W157-W245 HydrophobicContact CG-CZ3 4.49Å; A160-W245 HydrophobicContact CB-CB 4.46Å; L171-W245 HydrophobicContact CD1-CB 4.33Å; L171-W245 HydrophobicContact CD2-CB 4.39Å; W245-L259 HydrophobicContact CD2-CD2 3.41Å; W245-L259 VanDerWaalsContact CD2-CD2 3.41Å; W245-L259 HydrophobicContact CE3-CD2 3.15Å; W245-L259 HydrophobicContact CE3-CG 4.25Å; W245-L259 HydrophobicContact CG-CD2 4.03Å; W245-L259 HydrophobicContact CH2-CD2 4.01Å; W245-L259 HydrophobicContact CZ2-CD2 4.24Å; W245-L259 HydrophobicContact CZ3-CD2 3.46Å; W245-L259 VanDerWaalsContact CZ3-CD2 3.46Å; W245-L259 HydrophobicContact CZ3-CG 4.16Å; W245-N284 HydrophobicContact CH2-CB 3.71Å; W245-N284 HydrophobicContact CZ3-CB 4.14Å; W245-T285 WeakPolarHBondContact CH2-O 3.16Å; W245-L293 HydrophobicContact CD2-CD1 4.34Å; W245-L293 HydrophobicContact CG-CD1 4.35Å; W245-L293 HydrophobicContact CH2-CD2 4.43Å; W245-L293 HydrophobicContact CZ2-CD2 3.56Å; W245-L293 HydrophobicContact CZ2-CG 4.43Å; W245-S294 PolarHBondContact N-O 3.18Å; W245-F295 HydrophobicContact CB-CB 4.02Å
246	T	98.9	Very high	97.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	165.9	168	73.9	0	0	0	0	110.6	W157 P172 W177 T248 V258 R260	W157-T246 PolarHBondContact NE1-O 2.95Å; P172-T246 CarbonylContact O-C 3.56Å; P172-T246 WeakPolarHBondContact O-CA 3.35Å; P172-T246 WeakPolarHBondContact O-CB 3.41Å; W177-T246 HydrophobicContact CB-CG2 4.27Å; W177-T246 HydrophobicContact CG-CG2 4.38Å; T246-T248 VanDerWaalsContact C-N 3.27Å; T246-T248 PolarHBondContact O-N 3.48Å; T246-T248 PolarHBondContact OG1-N 2.88Å; T246-V258 PolarHBondContact N-O 2.77Å; T246-V258 WeakPolarHBondContact OG1-CB 3.45Å; T246-V258 PolarHBondContact OG1-O 2.78Å; T246-R260 HydrophobicContact CG2-CB 4.35Å; T246-R260 HydrophobicContact CG2-CG 3.69Å
247	S	98.8	Very high	97.2	Very high	45 Å²	45	40.3 Å²	40.3	32%	0.315	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-8.5	175.5	65.8	0	0	0	0	114	P172	P172-S247 PolarHBondContact O-N 3.23Å; P172-S247 PolarHBondContact O-OG 3.29Å
248	T	98.7	Very high	97.2	Very high	29 Å²	29	40 Å²	40	18%	0.178	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	135.2	-174.4	-61.6	0	0	0	0	110.3	E174 E175 T246 Y257 V258	E174-T248 HydrophobicContact CB-CG2 3.98Å; E174-T248 WeakPolarHBondContact CB-OG1 3.28Å; E174-T248 PolarHBondContact N-OG1 2.88Å; E175-T248 PolarHBondContact OE2-OG1 2.94Å; T246-T248 VanDerWaalsContact C-N 3.27Å; T246-T248 PolarHBondContact O-N 3.48Å; T246-T248 PolarHBondContact OG1-N 2.88Å; T248-Y257 WeakPolarHBondContact O-CA 3.34Å; T248-V258 HydrophobicContact CG2-CG2 4.07Å; T248-V258 WeakPolarHBondContact O-CG2 3.45Å; T248-V258 PolarHBondContact O-N 2.87Å
249	R	98.2	Very high	97.3	Very high	182 Å²	182	40 Å²	40	69%	0.687	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	138.1	175.1	-71.7	-172.7	176.4	-168.9	0	110.7	T256 Y257	R249-T256 WeakPolarHBondContact CA-O 3.27Å; R249-Y257 HydrophobicContact CG-CD1 4.32Å; R249-Y257 HydrophobicContact CG-CE1 3.91Å
250	F	97.4	Very high	97.3	Very high	39 Å²	39	40 Å²	40	17%	0.171	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	136.1	169.8	-172	-82.6	0	0	0	109.2	D57 A252 T256 V258	D57-F250 HydrophobicContact CB-CE2 4.44Å; D57-F250 HydrophobicContact CB-CZ 4.27Å; F250-A252 PolarHBondContact O-N 2.74Å; F250-A252 VanDerWaalsContact O-N 3.09Å; F250-T256 PolarHBondContact N-O 3.23Å; F250-T256 PolarHBondContact O-OG1 3.11Å; F250-V258 HydrophobicContact CB-CG2 3.86Å; F250-V258 HydrophobicContact CD2-CG2 4.07Å; F250-V258 HydrophobicContact CG-CG2 4.47Å
251	P	93.7	Very high	97.3	Very high	109 Å²	109	40 Å²	40	71%	0.708	23%	0.233	S	C	*	.			trans	-65	110.2	178.3	-22.4	34.1	0	0	0	111.9
252	A	92.4	Very high	97.3	Very high	58 Å²	58	40 Å²	40	48%	0.479	23%	0.233	S	C	.	.	S	Bend	trans	-152.8	166.9	174.2	0	0	0	0	0	110.6	F250 Q254 T256	F250-A252 PolarHBondContact O-N 2.74Å; F250-A252 VanDerWaalsContact O-N 3.09Å; A252-Q254 VanDerWaalsContact C-N 3.3Å; A252-Q254 PolarHBondContact O-N 2.85Å; A252-T256 HydrophobicContact CB-CG2 3.95Å; A252-T256 WeakPolarHBondContact CB-OG1 3.27Å
253	A	90.6	Very high	97.3	Very high	121 Å²	121	40 Å²	40	100%	1	23%	0.233	S	C	*	.	S	Bend	trans	-65.5	-34.5	177.8	0	0	0	0	0	112.6
254	Q	92.6	Very high	97.3	Very high	118 Å²	118	39.7 Å²	39.7	55%	0.551	23%	0.232	S	C	*	.	S	Bend	trans	-104.8	158.7	174.5	68.6	-168	20.4	0	0	110.7	A252 T256 T285	A252-Q254 VanDerWaalsContact C-N 3.3Å; A252-Q254 PolarHBondContact O-N 2.85Å; Q254-T256 HydrophobicContact CG-CG2 4.16Å; Q254-T256 PolarHBondContact O-N 3.1Å; Q254-T256 VanDerWaalsContact O-N 3.09Å; Q254-T285 HydrophobicContact CG-CG2 4.35Å
255	P	95.2	Very high	97.3	Very high	89 Å²	89	40 Å²	40	58%	0.578	23%	0.233	S	C	*	.			trans	-56.9	117.6	176.8	-23.8	34.4	0	0	0	111.1	P286	P255-P286 WeakPolarHBondContact O-CD 3.41Å
256	T	98	Very high	97.3	Very high	11 Å²	11	40 Å²	40	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	153.8	172.8	57.4	0	0	0	0	109.9	R249 F250 A252 Q254 N284 T285	R249-T256 WeakPolarHBondContact CA-O 3.27Å; F250-T256 PolarHBondContact N-O 3.23Å; F250-T256 PolarHBondContact O-OG1 3.11Å; A252-T256 HydrophobicContact CB-CG2 3.95Å; A252-T256 WeakPolarHBondContact CB-OG1 3.27Å; Q254-T256 HydrophobicContact CG-CG2 4.16Å; Q254-T256 PolarHBondContact O-N 3.1Å; Q254-T256 VanDerWaalsContact O-N 3.09Å; T256-N284 CarbonylContact C-O 3.11Å; T256-N284 WeakPolarHBondContact CA-O 3.43Å; T256-N284 VanDerWaalsContact CB-O 3.26Å; T256-N284 WeakPolarHBondContact CB-O 3.39Å; T256-T285 HydrophobicContact CG2-CG2 4.22Å
257	Y	98.8	Very high	97.2	Very high	29 Å²	29	40.2 Å²	40.2	11%	0.114	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	151.6	178.3	-68.7	-90.9	0	0	0	110.2	W157 T248 R249 L259 G283 N284 P286	W157-Y257 AromaticContact CD1-CG 3.78Å; W157-Y257 HydrophobicContact CD2-CD1 4.21Å; W157-Y257 AromaticContact CD2-CD2 3.84Å; W157-Y257 HydrophobicContact CD2-CD2 3.84Å; W157-Y257 HydrophobicContact CD2-CE1 4.3Å; W157-Y257 AromaticContact CD2-CE2 3.93Å; W157-Y257 HydrophobicContact CD2-CE2 3.93Å; W157-Y257 AromaticContact CD2-CG 3.98Å; W157-Y257 HydrophobicContact CD2-CG 3.98Å; W157-Y257 AromaticContact CE2-CD1 3.57Å; W157-Y257 AromaticContact CE2-CE1 3.66Å; W157-Y257 AromaticContact CE2-CG 3.78Å; W157-Y257 AromaticContact CE2-CZ 3.94Å; W157-Y257 HydrophobicContact CE3-CD2 4.17Å; W157-Y257 AromaticContact CE3-CE2 3.81Å; W157-Y257 HydrophobicContact CE3-CE2 3.81Å; W157-Y257 AromaticContact CG-CD2 3.99Å; W157-Y257 HydrophobicContact CG-CD2 3.99Å; W157-Y257 HydrophobicContact CG-CG 4.02Å; W157-Y257 HydrophobicContact CH2-CD1 4.46Å; W157-Y257 AromaticContact CH2-CE1 3.71Å; W157-Y257 HydrophobicContact CH2-CE1 3.71Å; W157-Y257 HydrophobicContact CH2-CE2 4.2Å; W157-Y257 AromaticContact CH2-CZ 3.54Å; W157-Y257 AromaticContact CZ2-CD1 3.76Å; W157-Y257 HydrophobicContact CZ2-CD1 3.76Å; W157-Y257 AromaticContact CZ2-CE1 3.38Å; W157-Y257 HydrophobicContact CZ2-CE1 3.38Å; W157-Y257 HydrophobicContact CZ2-CE2 4.33Å; W157-Y257 HydrophobicContact CZ2-CG 4.37Å; W157-Y257 AromaticContact CZ2-CZ 3.69Å; W157-Y257 HydrophobicContact CZ3-CE1 4.26Å; W157-Y257 AromaticContact CZ3-CE2 3.9Å; W157-Y257 HydrophobicContact CZ3-CE2 3.9Å; W157-Y257 AromaticContact CZ3-CZ 3.67Å; W157-Y257 AromaticContact NE1-CD1 3.53Å; W157-Y257 AromaticContact NE1-CG 3.6Å; T248-Y257 WeakPolarHBondContact O-CA 3.34Å; R249-Y257 HydrophobicContact CG-CD1 4.32Å; R249-Y257 HydrophobicContact CG-CE1 3.91Å; Y257-L259 PolarHBondContact O-N 3.13Å; Y257-G283 WeakPolarHBondContact O-CA 3.28Å; Y257-N284 PolarHBondContact N-O 3.45Å; Y257-N284 PolarHBondContact O-N 3.2Å; Y257-P286 HydrophobicContact CD2-CB 3.79Å; Y257-P286 HydrophobicContact CD2-CG 4.36Å; Y257-P286 HydrophobicContact CE2-CB 3.78Å; Y257-P286 HydrophobicContact CE2-CG 4.15Å
258	V	98.9	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	129.4	-176.9	-179.2	0	0	0	0	109.7	E174 T246 T248 F250 R260 R281 M282	E174-V258 HydrophobicContact CB-CG1 4.44Å; E174-V258 HydrophobicContact CG-CG1 3.89Å; T246-V258 PolarHBondContact N-O 2.77Å; T246-V258 WeakPolarHBondContact OG1-CB 3.45Å; T246-V258 PolarHBondContact OG1-O 2.78Å; T248-V258 HydrophobicContact CG2-CG2 4.07Å; T248-V258 WeakPolarHBondContact O-CG2 3.45Å; T248-V258 PolarHBondContact O-N 2.87Å; F250-V258 HydrophobicContact CB-CG2 3.86Å; F250-V258 HydrophobicContact CD2-CG2 4.07Å; F250-V258 HydrophobicContact CG-CG2 4.47Å; V258-R260 HydrophobicContact CG1-CG 4.04Å; V258-R281 HydrophobicContact CG1-CB 4.3Å; V258-R281 VanDerWaalsContact CG2-NH2 3.29Å; V258-M282 WeakPolarHBondContact CA-O 3.18Å
259	L	98.9	Very high	97.1	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	141.8	163.2	-58.7	-175.7	0	0	0	109.8	W243 E244 W245 Y257 R281 M282 N284 L293	W243-L259 HydrophobicContact CB-CB 4.37Å; W243-L259 HydrophobicContact CB-CD1 4.24Å; W243-L259 HydrophobicContact CD2-CB 4.19Å; W243-L259 HydrophobicContact CE3-CB 3.6Å; W243-L259 HydrophobicContact CG-CD1 4.4Å; W243-L259 HydrophobicContact CZ3-CB 4.17Å; E244-L259 WeakPolarHBondContact O-CA 3.28Å; W245-L259 HydrophobicContact CD2-CD2 3.41Å; W245-L259 VanDerWaalsContact CD2-CD2 3.41Å; W245-L259 HydrophobicContact CE3-CD2 3.15Å; W245-L259 HydrophobicContact CE3-CG 4.25Å; W245-L259 HydrophobicContact CG-CD2 4.03Å; W245-L259 HydrophobicContact CH2-CD2 4.01Å; W245-L259 HydrophobicContact CZ2-CD2 4.24Å; W245-L259 HydrophobicContact CZ3-CD2 3.46Å; W245-L259 VanDerWaalsContact CZ3-CD2 3.46Å; W245-L259 HydrophobicContact CZ3-CG 4.16Å; Y257-L259 PolarHBondContact O-N 3.13Å; L259-R281 VanDerWaalsContact O-CA 3.3Å; L259-R281 WeakPolarHBondContact O-CA 3.45Å; L259-M282 HydrophobicContact CB-CG 3.79Å; L259-M282 HydrophobicContact CD1-CE 4.38Å; L259-M282 HydrophobicContact CD1-CG 3.97Å; L259-M282 HydrophobicContact CD1-SD 4.1Å; L259-M282 HydrophobicContact CG-CG 4.27Å; L259-M282 PolarHBondContact N-O 3.18Å; L259-M282 PolarHBondContact O-N 3.33Å; L259-M282 VanDerWaalsContact O-N 3.15Å; L259-N284 HydrophobicContact CD1-CB 3.74Å; L259-N284 HydrophobicContact CG-CB 4.19Å; L259-L293 HydrophobicContact CD1-CD1 3.9Å; L259-L293 HydrophobicContact CD1-CD2 4.25Å; L259-L293 HydrophobicContact CD2-CD1 3.45Å; L259-L293 VanDerWaalsContact CD2-CD1 3.45Å; L259-L293 HydrophobicContact CG-CD1 4.29Å
260	R	98.9	Very high	97.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	158.8	177.4	-63.9	-60	-62.4	-106.3	-9.5	111.5	E174 W177 E178 W243 E244 T246 V258 I278 T280	E174-R260 HydrophobicContact CG-CG 4.2Å; E174-R260 IonicContact OE1-CZ 3.66Å; E174-R260 IonicContact OE1-NH1 3.68Å; E174-R260 PolarHBondContact OE1-NH1 3.42Å; W177-R260 HydrophobicContact CD2-CB 3.48Å; W177-R260 VanDerWaalsContact CD2-CB 3.48Å; W177-R260 HydrophobicContact CD2-CG 4Å; W177-R260 HydrophobicContact CE3-CB 3.51Å; W177-R260 HydrophobicContact CE3-CG 3.9Å; W177-R260 HydrophobicContact CG-CB 4.13Å; W177-R260 HydrophobicContact CG-CG 4.32Å; W177-R260 HydrophobicContact CH2-CB 3.88Å; W177-R260 HydrophobicContact CZ2-CB 3.79Å; W177-R260 HydrophobicContact CZ3-CB 3.74Å; W177-R260 HydrophobicContact CZ3-CG 4.47Å; E178-R260 IonicContact OE2-CZ 3.64Å; E178-R260 VanDerWaalsContact OE2-CZ 3.27Å; E178-R260 IonicContact OE2-NH1 2.81Å; E178-R260 PolarHBondContact OE2-NH1 3.28Å; E178-R260 IonicContact OE2-NH2 3.16Å; E178-R260 PolarHBondContact OE2-NH2 3.07Å; W243-R260 VanDerWaalsContact CE3-C 3.48Å; E244-R260 PolarHBondContact N-O 3.12Å; E244-R260 PolarHBondContact O-N 3.37Å; T246-R260 HydrophobicContact CG2-CB 4.35Å; T246-R260 HydrophobicContact CG2-CG 3.69Å; V258-R260 HydrophobicContact CG1-CG 4.04Å; R260-I278 PolarHBondContact NH2-O 3.39Å; R260-T280 PolarHBondContact NE-O 3.1Å
261	G	98.6	Very high	97	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	104.5	-22.7	167.1	0	0	0	0	0	116.2	W177 M238 M239 G240	W177-G261 VanDerWaalsContact CH2-CA 3.48Å; M238-G261 WeakPolarHBondContact O-CA 2.91Å; M239-G261 CarbonylContact C-O 2.99Å; M239-G261 WeakPolarHBondContact CA-O 3.3Å; G240-G261 PolarHBondContact N-O 2.85Å
262	A	98.8	Very high	97.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	22%	0.218	C	C	.	.			trans	62.3	-176	-161.9	0	0	0	0	0	111.5	T242 W243 D266 A276 T280	T242-A262 CarbonylContact C-O 3.4Å; W243-A262 HydrophobicContact CH2-CB 4.49Å; W243-A262 HydrophobicContact CZ2-CB 4.28Å; W243-A262 PolarHBondContact N-O 3.22Å; A262-D266 HydrophobicContact CB-CB 3.78Å; A262-A276 HydrophobicContact CB-CB 3.92Å; A262-T280 HydrophobicContact CB-CG2 4.06Å
263	S	98.9	Very high	97.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	21%	0.205	C	C	.	.			trans	-141.9	178.6	-178.2	64.3	0	0	0	0	111.9	L203 W243 I265 D266 N292	L203-S263 WeakPolarHBondContact CD2-O 3.12Å; W243-S263 VanDerWaalsContact CD1-CB 3.47Å; W243-S263 PolarHBondContact NE1-OG 2.84Å; S263-I265 PolarHBondContact O-N 2.76Å; S263-I265 VanDerWaalsContact O-N 3.12Å; S263-I265 VanDerWaalsContact OG-CG1 3.27Å; S263-I265 WeakPolarHBondContact OG-CG1 3.43Å; S263-D266 PolarHBondContact N-OD2 2.76Å; S263-D266 WeakPolarHBondContact O-CB 3.46Å; S263-D266 PolarHBondContact O-N 3.28Å; S263-D266 PolarHBondContact OG-OD2 2.72Å; S263-N292 PolarHBondContact OG-ND2 3.18Å
264	W	98.8	Very high	97.7	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-22.6	176.9	73.8	-92.4	0	0	0	114.2	F104 F107 L203 W204 H219 G220 N241	F104-W264 HydrophobicContact CB-CH2 4.36Å; F104-W264 HydrophobicContact CB-CZ2 4.01Å; F104-W264 AromaticContact CD1-CH2 3.58Å; F104-W264 HydrophobicContact CD1-CH2 3.58Å; F104-W264 HydrophobicContact CD1-CZ2 4.11Å; F104-W264 HydrophobicContact CD2-CH2 4.4Å; F104-W264 HydrophobicContact CD2-CZ2 4.49Å; F104-W264 AromaticContact CE1-CH2 3.9Å; F104-W264 HydrophobicContact CE1-CH2 3.9Å; F104-W264 AromaticContact CG-CH2 3.86Å; F104-W264 HydrophobicContact CG-CH2 3.86Å; F104-W264 AromaticContact CG-CZ2 3.95Å; F104-W264 HydrophobicContact CG-CZ2 3.95Å; F104-W264 HydrophobicContact CZ-CH2 4.44Å; F107-W264 HydrophobicContact CD2-CZ2 4.44Å; F107-W264 AromaticContact CE2-CH2 3.65Å; F107-W264 HydrophobicContact CE2-CH2 3.65Å; F107-W264 AromaticContact CE2-CZ2 3.45Å; F107-W264 HydrophobicContact CE2-CZ2 3.45Å; F107-W264 VanDerWaalsContact CE2-CZ2 3.45Å; F107-W264 AromaticContact CZ-CH2 3.7Å; F107-W264 HydrophobicContact CZ-CH2 3.7Å; F107-W264 AromaticContact CZ-CZ2 3.97Å; F107-W264 HydrophobicContact CZ-CZ2 3.97Å; F107-W264 HydrophobicContact CZ-CZ3 4.33Å; L203-W264 CarbonylContact C-O 3.58Å; W204-W264 WeakPolarHBondContact CA-O 3.44Å; W204-W264 HydrophobicContact CE3-CE3 4.11Å; W204-W264 AromaticContact CE3-CZ3 3.72Å; W204-W264 HydrophobicContact CE3-CZ3 3.72Å; W204-W264 HydrophobicContact CZ3-CE3 4.36Å; W204-W264 HydrophobicContact CZ3-CH2 4.12Å; W204-W264 AromaticContact CZ3-CZ3 3.51Å; W204-W264 HydrophobicContact CZ3-CZ3 3.51Å; W204-W264 PolarHBondContact N-O 3.14Å; H219-W264 AromaticContact CE1-CZ3 4Å; H219-W264 AromaticContact ND1-CZ3 3.86Å; G220-W264 VanDerWaalsContact CA-CD2 3.44Å; G220-W264 VanDerWaalsContact N-CE3 3.3Å; N241-W264 VanDerWaalsContact O-CD1 3.3Å; N241-W264 PolarHBondContact O-N 3.15Å
265	I	98.6	Very high	97.9	Very high	6 Å²	6	26 Å²	26	3%	0.031	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-8	175.3	61.8	158.4	0	0	0	114.1	F104 W126 W204 F208 S263 N273	F104-I265 HydrophobicContact CD2-CG2 4.34Å; F104-I265 HydrophobicContact CE2-CG2 4.36Å; W126-I265 HydrophobicContact CZ2-CD1 3.67Å; W204-I265 HydrophobicContact CE3-CG2 4.43Å; F208-I265 HydrophobicContact CE2-CB 3.98Å; F208-I265 HydrophobicContact CE2-CG2 4.23Å; S263-I265 PolarHBondContact O-N 2.76Å; S263-I265 VanDerWaalsContact O-N 3.12Å; S263-I265 VanDerWaalsContact OG-CG1 3.27Å; S263-I265 WeakPolarHBondContact OG-CG1 3.43Å; I265-N273 PolarHBondContact O-ND2 3.42Å
266	D	98.7	Very high	98.1	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	13%	0.125	C	C	.	.			trans	-89.5	157.3	-176.8	-62.8	-72.2	0	0	0	111	L203 W204 W243 A262 S263 N273 H274 A276	L203-D266 WeakPolarHBondContact CB-O 3.36Å; W204-D266 PolarHBondContact N-O 3.19Å; W243-D266 PolarHBondContact NE1-OD2 2.98Å; A262-D266 HydrophobicContact CB-CB 3.78Å; S263-D266 PolarHBondContact N-OD2 2.76Å; S263-D266 WeakPolarHBondContact O-CB 3.46Å; S263-D266 PolarHBondContact O-N 3.28Å; S263-D266 PolarHBondContact OG-OD2 2.72Å; D266-N273 VanDerWaalsContact OD1-CB 3.25Å; D266-N273 WeakPolarHBondContact OD1-CB 3.41Å; D266-H274 HydrophobicContact CB-CB 4.41Å; D266-H274 VanDerWaalsContact OD1-CB 3.29Å; D266-H274 WeakPolarHBondContact OD1-CB 3.31Å; D266-H274 IonicContact OD1-CG 3.51Å; D266-H274 PolarHBondContact OD1-N 3.03Å; D266-H274 IonicContact OD1-ND1 2.76Å; D266-H274 PolarHBondContact OD1-ND1 2.96Å; D266-A276 HydrophobicContact CB-CB 4.45Å
267	T	98.6	Very high	98.1	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.018	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-117.5	146.7	-170.5	56.1	0	0	0	0	112.3	W204 D269 G270 S271 A272 H274 K275 A276	W204-T267 HydrophobicContact CB-CG2 4.04Å; T267-D269 VanDerWaalsContact C-N 3.29Å; T267-D269 WeakPolarHBondContact CB-OD1 3.44Å; T267-D269 PolarHBondContact O-N 2.88Å; T267-D269 PolarHBondContact OG1-OD1 2.86Å; T267-G270 PolarHBondContact O-N 2.89Å; T267-G270 VanDerWaalsContact OG1-CA 3.26Å; T267-G270 WeakPolarHBondContact OG1-CA 3.5Å; T267-G270 PolarHBondContact OG1-N 2.73Å; T267-S271 PolarHBondContact OG1-N 2.88Å; T267-S271 VanDerWaalsContact OG1-N 3.15Å; T267-A272 HydrophobicContact CG2-CB 3.83Å; T267-A272 PolarHBondContact OG1-N 2.7Å; T267-A272 VanDerWaalsContact OG1-N 3.11Å; T267-A272 PolarHBondContact OG1-O 2.75Å; T267-H274 PolarHBondContact N-O 2.9Å; T267-K275 CarbonylContact O-C 3.52Å; T267-K275 WeakPolarHBondContact O-CA 3.28Å; T267-A276 PolarHBondContact O-N 3.4Å
268	V	97.9	Very high	98.1	Very high	42 Å²	42	20.5 Å²	20.5	26%	0.255	12%	0.119	S	C	.	.	S	Bend	trans	-64.5	-33.9	178.8	65	0	0	0	0	113	Y190 F196 L203 K275	Y190-V268 HydrophobicContact CE1-CG2 4.32Å; Y190-V268 WeakPolarHBondContact OH-CG2 3.5Å; F196-V268 HydrophobicContact CB-CG2 4.06Å; F196-V268 HydrophobicContact CD1-CG2 4.12Å; F196-V268 HydrophobicContact CD2-CB 4.28Å; F196-V268 HydrophobicContact CD2-CG2 3.38Å; F196-V268 HydrophobicContact CE1-CG2 4.43Å; F196-V268 HydrophobicContact CE2-CB 4.14Å; F196-V268 HydrophobicContact CE2-CG2 3.73Å; F196-V268 HydrophobicContact CG-CG2 3.58Å; F196-V268 HydrophobicContact CZ-CB 4.33Å; F196-V268 HydrophobicContact CZ-CG2 4.25Å; L203-V268 HydrophobicContact CD1-CB 4.44Å; V268-K275 WeakPolarHBondContact O-CG 3.33Å
269	D	97	Very high	98.1	Very high	100 Å²	100	20.7 Å²	20.7	54%	0.535	12%	0.12	S	C	.	.	S	Bend	trans	-94.2	-14.6	-176.1	63.7	-5.4	0	0	0	113.1	T267 S271	T267-D269 VanDerWaalsContact C-N 3.29Å; T267-D269 WeakPolarHBondContact CB-OD1 3.44Å; T267-D269 PolarHBondContact O-N 2.88Å; T267-D269 PolarHBondContact OG1-OD1 2.86Å; D269-S271 WeakPolarHBondContact OD1-CB 3.37Å; D269-S271 PolarHBondContact OD1-N 3.09Å; D269-S271 PolarHBondContact OD1-OG 3.48Å; D269-S271 PolarHBondContact OD2-OG 2.98Å
270	G	97.2	Very high	98	Very high	21 Å²	21	20.6 Å²	20.6	22%	0.216	12%	0.12	C	C	.	.	S	Bend	trans	79.8	19.1	-175.2	0	0	0	0	0	113.4	T267 A272	T267-G270 PolarHBondContact O-N 2.89Å; T267-G270 VanDerWaalsContact OG1-CA 3.26Å; T267-G270 WeakPolarHBondContact OG1-CA 3.5Å; T267-G270 PolarHBondContact OG1-N 2.73Å; G270-A272 PolarHBondContact O-N 3.12Å
271	S	96.7	Very high	98	Very high	83 Å²	83	21.8 Å²	21.8	58%	0.58	13%	0.125	S	C	*	.	S	Bend	trans	-64	-29.4	174.1	55	0	0	0	0	112.6	T267 D269	T267-S271 PolarHBondContact OG1-N 2.88Å; T267-S271 VanDerWaalsContact OG1-N 3.15Å; D269-S271 WeakPolarHBondContact OD1-CB 3.37Å; D269-S271 PolarHBondContact OD1-N 3.09Å; D269-S271 PolarHBondContact OD1-OG 3.48Å; D269-S271 PolarHBondContact OD2-OG 2.98Å
272	A	95.6	Very high	98	Very high	15 Å²	15	24 Å²	24	12%	0.124	14%	0.136	C	C	.	.	S	Bend	trans	-137.8	150.4	171.8	0	0	0	0	0	111.9	F208 T267 G270 H274	F208-A272 HydrophobicContact CB-CB 3.45Å; F208-A272 VanDerWaalsContact CB-CB 3.45Å; F208-A272 HydrophobicContact CD1-CB 4.13Å; F208-A272 HydrophobicContact CG-CB 3.8Å; T267-A272 HydrophobicContact CG2-CB 3.83Å; T267-A272 PolarHBondContact OG1-N 2.7Å; T267-A272 VanDerWaalsContact OG1-N 3.11Å; T267-A272 PolarHBondContact OG1-O 2.75Å; G270-A272 PolarHBondContact O-N 3.12Å; A272-H274 PolarHBondContact O-N 2.84Å
273	N	96.6	Very high	98	Very high	40 Å²	40	25 Å²	25	21%	0.214	15%	0.146	C	C	.	.	S	Bend	trans	50.5	-125.2	177.7	-56.7	-51.9	0	0	0	112.5	R56 W125 F208 I265 D266	R56-N273 PolarHBondContact NH1-O 3.25Å; W125-N273 WeakPolarHBondContact CZ2-OD1 3.26Å; F208-N273 WeakPolarHBondContact CE1-ND2 3.34Å; F208-N273 VanDerWaalsContact CE2-ND2 3.27Å; F208-N273 WeakPolarHBondContact CE2-ND2 3.48Å; F208-N273 WeakPolarHBondContact CZ-ND2 3.35Å; I265-N273 PolarHBondContact O-ND2 3.42Å; D266-N273 VanDerWaalsContact OD1-CB 3.25Å; D266-N273 WeakPolarHBondContact OD1-CB 3.41Å
274	H	97.8	Very high	97.9	Very high	39 Å²	39	27 Å²	27	18%	0.181	16%	0.157	C	C	.	.	S	Bend	trans	-91.1	148.6	174.8	-58.2	78.3	0	0	0	111.4	W243 D266 T267 A272 A276 T280	W243-H274 HydrophobicContact CZ2-CB 4.42Å; W243-H274 AromaticContact CZ2-CE1 3.81Å; W243-H274 AromaticContact CZ2-CG 3.85Å; W243-H274 AromaticContact CZ2-ND1 3.58Å; D266-H274 HydrophobicContact CB-CB 4.41Å; D266-H274 VanDerWaalsContact OD1-CB 3.29Å; D266-H274 WeakPolarHBondContact OD1-CB 3.31Å; D266-H274 IonicContact OD1-CG 3.51Å; D266-H274 PolarHBondContact OD1-N 3.03Å; D266-H274 IonicContact OD1-ND1 2.76Å; D266-H274 PolarHBondContact OD1-ND1 2.96Å; T267-H274 PolarHBondContact N-O 2.9Å; A272-H274 PolarHBondContact O-N 2.84Å; H274-A276 PolarHBondContact O-N 2.9Å; H274-T280 HydrophobicContact CB-CG2 3.77Å
275	K	98.3	Very high	97.9	Very high	63 Å²	63	28.1 Å²	28.1	27%	0.274	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-73.2	111	162.7	-172.7	168.8	-174.5	165.5	0	108.8	D54 T267 V268 R277 T280	D54-K275 VanDerWaalsContact OD2-CD 3.29Å; D54-K275 WeakPolarHBondContact OD2-CD 3.38Å; D54-K275 WeakPolarHBondContact OD2-CE 3.45Å; D54-K275 IonicContact OD2-NZ 3.48Å; D54-K275 PolarHBondContact OD2-NZ 3.04Å; T267-K275 CarbonylContact O-C 3.52Å; T267-K275 WeakPolarHBondContact O-CA 3.28Å; V268-K275 WeakPolarHBondContact O-CG 3.33Å; K275-R277 PolarHBondContact O-N 2.69Å; K275-T280 PolarHBondContact O-OG1 3.45Å
276	A	98.4	Very high	97.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.169	C	C	.	.			trans	-74.7	117.6	-176.9	0	0	0	0	0	111.6	L203 A262 D266 T267 H274	L203-A276 HydrophobicContact CD1-CB 3.66Å; L203-A276 HydrophobicContact CD2-CB 3.61Å; L203-A276 HydrophobicContact CG-CB 4.33Å; A262-A276 HydrophobicContact CB-CB 3.92Å; D266-A276 HydrophobicContact CB-CB 4.45Å; T267-A276 PolarHBondContact O-N 3.4Å; H274-A276 PolarHBondContact O-N 2.9Å
277	R	98.4	Very high	97.9	Very high	10 Å²	10	32.1 Å²	32.1	4%	0.038	19%	0.187	C	C	.	.	S	Bend	trans	-158.2	171.7	175.3	55.6	176.3	175.8	-147	-11.2	109.3	D54 S55 E59 T189 K275 T279 T280	D54-R277 PolarHBondContact O-NH2 2.93Å; D54-R277 IonicContact OD1-CZ 3.27Å; D54-R277 IonicContact OD1-NH1 3.54Å; D54-R277 PolarHBondContact OD1-NH1 3.04Å; D54-R277 IonicContact OD1-NH2 2.7Å; D54-R277 IonicContact OD2-NH1 3.81Å; S55-R277 VanDerWaalsContact CA-NH2 3.29Å; E59-R277 VanDerWaalsContact CD-NH2 3.33Å; E59-R277 IonicContact OE1-CZ 3.14Å; E59-R277 IonicContact OE1-NE 2.86Å; E59-R277 IonicContact OE1-NH2 2.88Å; E59-R277 PolarHBondContact OE1-NH2 3.35Å; E59-R277 IonicContact OE2-CZ 3.28Å; E59-R277 VanDerWaalsContact OE2-CZ 3.31Å; E59-R277 IonicContact OE2-NE 3.33Å; E59-R277 PolarHBondContact OE2-NE 3.05Å; E59-R277 IonicContact OE2-NH2 2.72Å; E59-R277 PolarHBondContact OE2-NH2 3.33Å; E59-R277 VanDerWaalsContact OE2-NH2 3.16Å; T189-R277 HydrophobicContact CG2-CB 3.99Å; T189-R277 WeakPolarHBondContact O-CB 3.28Å; K275-R277 PolarHBondContact O-N 2.69Å; R277-T279 WeakPolarHBondContact CD-OG1 3.41Å; R277-T279 PolarHBondContact NE-OG1 3.43Å; R277-T279 PolarHBondContact O-N 2.78Å; R277-T279 VanDerWaalsContact O-N 3.12Å; R277-T280 WeakPolarHBondContact CG-OG1 3.5Å; R277-T280 PolarHBondContact N-OG1 3.25Å; R277-T280 VanDerWaalsContact O-CB 3.26Å; R277-T280 WeakPolarHBondContact O-CB 3.48Å; R277-T280 PolarHBondContact O-N 3.28Å; R277-T280 PolarHBondContact O-OG1 2.81Å
278	I	97.9	Very high	97.8	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.015	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.7	-174.3	-165.7	156.9	0	0	0	114.3	A181 R182 R188 T189 P191 R260	A181-I278 HydrophobicContact CB-CD1 3.69Å; A181-I278 HydrophobicContact CB-CG1 3.79Å; A181-I278 WeakPolarHBondContact O-CD1 3.46Å; R182-I278 HydrophobicContact CB-CD1 4.05Å; R182-I278 HydrophobicContact CG-CD1 3.38Å; R182-I278 HydrophobicContact CG-CG1 4.27Å; R188-I278 VanDerWaalsContact O-CG2 3.28Å; R188-I278 WeakPolarHBondContact O-CG2 3.26Å; T189-I278 VanDerWaalsContact O-CG2 3.31Å; T189-I278 WeakPolarHBondContact O-CG2 3.42Å; T189-I278 PolarHBondContact O-N 3.49Å; P191-I278 HydrophobicContact CG-CD1 4.27Å; R260-I278 PolarHBondContact NH2-O 3.39Å
279	T	98.5	Very high	97.9	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.025	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-11.6	-179.5	48.6	0	0	0	0	113.3	G49 E59 R277 R281	G49-T279 VanDerWaalsContact C-CG2 3.5Å; G49-T279 WeakPolarHBondContact O-CG2 3.25Å; E59-T279 WeakPolarHBondContact CG-O 3.29Å; E59-T279 VanDerWaalsContact OE2-CB 3.23Å; E59-T279 WeakPolarHBondContact OE2-CB 3.16Å; E59-T279 PolarHBondContact OE2-OG1 2.75Å; R277-T279 WeakPolarHBondContact CD-OG1 3.41Å; R277-T279 PolarHBondContact NE-OG1 3.43Å; R277-T279 PolarHBondContact O-N 2.78Å; R277-T279 VanDerWaalsContact O-N 3.12Å; T279-R281 PolarHBondContact O-N 3.15Å
280	T	98.7	Very high	98	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.012	17%	0.165	C	C	.	.			trans	-56	126	-176.9	-54.5	0	0	0	0	110.5	W243 R260 A262 H274 K275 R277	W243-T280 HydrophobicContact CH2-CG2 3.68Å; W243-T280 HydrophobicContact CZ2-CG2 4.4Å; W243-T280 HydrophobicContact CZ3-CG2 4.39Å; R260-T280 PolarHBondContact NE-O 3.1Å; A262-T280 HydrophobicContact CB-CG2 4.06Å; H274-T280 HydrophobicContact CB-CG2 3.77Å; K275-T280 PolarHBondContact O-OG1 3.45Å; R277-T280 WeakPolarHBondContact CG-OG1 3.5Å; R277-T280 PolarHBondContact N-OG1 3.25Å; R277-T280 VanDerWaalsContact O-CB 3.26Å; R277-T280 WeakPolarHBondContact O-CB 3.48Å; R277-T280 PolarHBondContact O-N 3.28Å; R277-T280 PolarHBondContact O-OG1 2.81Å
281	R	98.6	Very high	98	Very high	25 Å²	25	27 Å²	27	9%	0.094	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	150.7	-173.2	69.3	-171.7	-58.1	-84.1	0.5	109.7	D57 E59 E174 V258 L259 T279	D57-R281 WeakPolarHBondContact O-CD 3.22Å; D57-R281 PolarHBondContact O-NH1 3.42Å; E59-R281 HydrophobicContact CG-CG 4.12Å; E174-R281 IonicContact OE1-CZ 3.74Å; E174-R281 IonicContact OE1-NE 2.7Å; E174-R281 PolarHBondContact OE1-NE 3.46Å; E174-R281 IonicContact OE1-NH2 2.72Å; E174-R281 PolarHBondContact OE1-NH2 3.5Å; E174-R281 IonicContact OE2-CZ 2.82Å; E174-R281 IonicContact OE2-NE 2.82Å; E174-R281 IonicContact OE2-NH2 3.6Å; E174-R281 PolarHBondContact OE2-NH2 2.87Å; V258-R281 HydrophobicContact CG1-CB 4.3Å; V258-R281 VanDerWaalsContact CG2-NH2 3.29Å; L259-R281 VanDerWaalsContact O-CA 3.3Å; L259-R281 WeakPolarHBondContact O-CA 3.45Å; T279-R281 PolarHBondContact O-N 3.15Å
282	M	98.1	Very high	98.1	Very high	46 Å²	46	23.5 Å²	23.5	23%	0.227	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	169.5	167.7	65	173.8	-71.8	0	0	110.1	W243 V258 L259	W243-M282 HydrophobicContact CD2-CG 4.37Å; W243-M282 HydrophobicContact CD2-SD 4.24Å; W243-M282 HydrophobicContact CE3-CG 4.2Å; W243-M282 HydrophobicContact CH2-CB 4.24Å; W243-M282 HydrophobicContact CH2-CG 3.72Å; W243-M282 HydrophobicContact CH2-SD 4.1Å; W243-M282 HydrophobicContact CZ2-CG 3.99Å; W243-M282 HydrophobicContact CZ2-SD 3.72Å; W243-M282 HydrophobicContact CZ3-CG 3.88Å; V258-M282 WeakPolarHBondContact CA-O 3.18Å; L259-M282 HydrophobicContact CB-CG 3.79Å; L259-M282 HydrophobicContact CD1-CE 4.38Å; L259-M282 HydrophobicContact CD1-CG 3.97Å; L259-M282 HydrophobicContact CD1-SD 4.1Å; L259-M282 HydrophobicContact CG-CG 4.27Å; L259-M282 PolarHBondContact N-O 3.18Å; L259-M282 PolarHBondContact O-N 3.33Å; L259-M282 VanDerWaalsContact O-N 3.15Å
283	G	98.1	Very high	98.3	Very high	22 Å²	22	22.8 Å²	22.8	23%	0.227	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	141.6	173.7	0	0	0	0	0	110.9	Y257	Y257-G283 WeakPolarHBondContact O-CA 3.28Å
284	N	97.9	Very high	98.4	Very high	41 Å²	41	20.9 Å²	20.9	22%	0.219	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	156.6	171.3	-157.9	3.8	0	0	0	111.7	W245 T256 Y257 L259 S288	W245-N284 HydrophobicContact CH2-CB 3.71Å; W245-N284 HydrophobicContact CZ3-CB 4.14Å; T256-N284 CarbonylContact C-O 3.11Å; T256-N284 WeakPolarHBondContact CA-O 3.43Å; T256-N284 VanDerWaalsContact CB-O 3.26Å; T256-N284 WeakPolarHBondContact CB-O 3.39Å; Y257-N284 PolarHBondContact N-O 3.45Å; Y257-N284 PolarHBondContact O-N 3.2Å; L259-N284 HydrophobicContact CD1-CB 3.74Å; L259-N284 HydrophobicContact CG-CB 4.19Å; N284-S288 WeakPolarHBondContact ND2-CB 3.35Å; N284-S288 WeakPolarHBondContact OD1-CB 3.19Å; N284-S288 PolarHBondContact OD1-OG 3.17Å
285	T	98.1	Very high	98.4	Very high	24 Å²	24	19 Å²	19	15%	0.147	11%	0.107	C	C	.	.			trans	-69.1	144.8	179.8	63.6	0	0	0	0	110.4	W245 Q254 T256 D287 S288	W245-T285 WeakPolarHBondContact CH2-O 3.16Å; Q254-T285 HydrophobicContact CG-CG2 4.35Å; T256-T285 HydrophobicContact CG2-CG2 4.22Å; T285-D287 WeakPolarHBondContact CB-OD1 3.26Å; T285-D287 PolarHBondContact O-N 3.34Å; T285-D287 PolarHBondContact OG1-OD1 2.69Å; T285-S288 WeakPolarHBondContact O-CB 3.21Å; T285-S288 PolarHBondContact O-N 3.04Å; T285-S288 PolarHBondContact OG1-OG 3.22Å
286	P	98.5	Very high	98.5	Very high	23 Å²	23	16 Å²	16	15%	0.149	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17	-171.9	24.1	-34.7	0	0	0	114.8	S156 W157 N158 P255 Y257	S156-P286 VanDerWaalsContact CB-O 3.24Å; S156-P286 WeakPolarHBondContact CB-O 3.49Å; S156-P286 PolarHBondContact OG-O 2.81Å; W157-P286 HydrophobicContact CB-CB 3.96Å; W157-P286 VanDerWaalsContact CB-O 3.31Å; W157-P286 WeakPolarHBondContact CB-O 3.43Å; W157-P286 HydrophobicContact CD2-CB 4.42Å; W157-P286 HydrophobicContact CE3-CB 3.98Å; W157-P286 HydrophobicContact CG-CB 4.43Å; W157-P286 PolarHBondContact N-O 3.48Å; N158-P286 PolarHBondContact N-O 2.92Å; N158-P286 PolarHBondContact ND2-O 3.05Å; P255-P286 WeakPolarHBondContact O-CD 3.41Å; Y257-P286 HydrophobicContact CD2-CB 3.79Å; Y257-P286 HydrophobicContact CD2-CG 4.36Å; Y257-P286 HydrophobicContact CE2-CB 3.78Å; Y257-P286 HydrophobicContact CE2-CG 4.15Å
287	D	98.3	Very high	98.5	Very high	69 Å²	69	16 Å²	16	37%	0.369	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-4.6	-179.3	59	-10.8	0	0	0	113.5	E94 F98 T285	E94-D287 WeakPolarHBondContact OE2-CA 3.45Å; F98-D287 HydrophobicContact CE2-CB 3.98Å; F98-D287 HydrophobicContact CZ-CB 4.04Å; T285-D287 WeakPolarHBondContact CB-OD1 3.26Å; T285-D287 PolarHBondContact O-N 3.34Å; T285-D287 PolarHBondContact OG1-OD1 2.69Å
288	S	98.3	Very high	98.5	Very high	27 Å²	27	15.6 Å²	15.6	19%	0.189	9%	0.092	C	C	.	.			trans	-72.8	147.5	177	-78.1	0	0	0	0	112.5	S156 N284 T285	S156-S288 WeakPolarHBondContact CA-O 3.32Å; N284-S288 WeakPolarHBondContact ND2-CB 3.35Å; N284-S288 WeakPolarHBondContact OD1-CB 3.19Å; N284-S288 PolarHBondContact OD1-OG 3.17Å; T285-S288 WeakPolarHBondContact O-CB 3.21Å; T285-S288 PolarHBondContact O-N 3.04Å; T285-S288 PolarHBondContact OG1-OG 3.22Å
289	A	98.4	Very high	98.5	Very high	9 Å²	9	15.7 Å²	15.7	7%	0.074	9%	0.094	C	C	.	.			trans	-153.2	141.3	-179.2	0	0	0	0	0	110.5	S101 F102 H154	S101-A289 VanDerWaalsContact OG-C 3.28Å; S101-A289 PolarHBondContact OG-O 3.29Å; F102-A289 PolarHBondContact N-O 3.37Å; H154-A289 HydrophobicContact CB-CB 4.49Å
290	S	98.7	Very high	98.3	Very high	12 Å²	12	19 Å²	19	8%	0.084	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-151.6	170.8	178.9	56.7	0	0	0	0	111.6	F102 H154 N292 L293	F102-S290 WeakPolarHBondContact O-CA 3.23Å; H154-S290 PolarHBondContact N-O 3.07Å; S290-N292 WeakPolarHBondContact CB-OD1 3.25Å; S290-N292 PolarHBondContact O-N 2.57Å; S290-N292 PolarHBondContact OG-OD1 3.16Å; S290-L293 WeakPolarHBondContact OG-CB 3.49Å
291	D	98.5	Very high	97.8	Very high	10 Å²	10	22.7 Å²	22.7	5%	0.053	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	0.2	179.6	68.8	17.3	0	0	0	115	F102 V103 F104 W126 V153 H154	F102-D291 PolarHBondContact O-N 2.86Å; V103-D291 WeakPolarHBondContact CA-OD2 3.16Å; F104-D291 PolarHBondContact N-OD2 2.85Å; W126-D291 WeakPolarHBondContact CH2-OD1 3.41Å; W126-D291 WeakPolarHBondContact CZ3-OD1 3.23Å; V153-D291 WeakPolarHBondContact CG1-O 3.46Å; H154-D291 PolarHBondContact CE1-N 3.35Å; H154-D291 VanDerWaalsContact CE1-N 3.34Å
292	N	98.8	Very high	96.3	Very high	9 Å²	9	24.7 Å²	24.7	5%	0.048	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	15.8	177.6	77.4	-32.7	0	0	0	112.9	W126 T242 W243 S263 S290	W126-N292 HydrophobicContact CH2-CB 3.97Å; W126-N292 WeakPolarHBondContact CH2-OD1 3.39Å; W126-N292 HydrophobicContact CZ2-CB 4.41Å; T242-N292 CarbonylContact C-O 3.49Å; T242-N292 VanDerWaalsContact CA-O 3.28Å; T242-N292 WeakPolarHBondContact CA-O 3.2Å; W243-N292 PolarHBondContact N-O 3.4Å; S263-N292 PolarHBondContact OG-ND2 3.18Å; S290-N292 WeakPolarHBondContact CB-OD1 3.25Å; S290-N292 PolarHBondContact O-N 2.57Å; S290-N292 PolarHBondContact OG-OD1 3.16Å
293	L	98.9	Very high	93.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.4	-174.1	175.2	55.5	0	0	0	111.2	V153 W243 W245 L259 S290	V153-L293 WeakPolarHBondContact CA-O 3.44Å; W243-L293 HydrophobicContact CB-CD1 3.69Å; W245-L293 HydrophobicContact CD2-CD1 4.34Å; W245-L293 HydrophobicContact CG-CD1 4.35Å; W245-L293 HydrophobicContact CH2-CD2 4.43Å; W245-L293 HydrophobicContact CZ2-CD2 3.56Å; W245-L293 HydrophobicContact CZ2-CG 4.43Å; L259-L293 HydrophobicContact CD1-CD1 3.9Å; L259-L293 HydrophobicContact CD1-CD2 4.25Å; L259-L293 HydrophobicContact CD2-CD1 3.45Å; L259-L293 VanDerWaalsContact CD2-CD1 3.45Å; L259-L293 HydrophobicContact CG-CD1 4.29Å; S290-L293 WeakPolarHBondContact OG-CB 3.49Å
294	S	98.9	Very high	90.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	-158.4	-178	-161.9	0	0	0	0	110.8	V152 T242 W243 E244 W245	V152-S294 WeakPolarHBondContact O-CB 3.29Å; V152-S294 PolarHBondContact O-OG 3.16Å; T242-S294 VanDerWaalsContact OG1-CB 3.32Å; T242-S294 WeakPolarHBondContact OG1-CB 3.47Å; W243-S294 CarbonylContact O-C 3.58Å; W243-S294 PolarHBondContact O-N 2.95Å; E244-S294 WeakPolarHBondContact CA-O 3.32Å; W245-S294 PolarHBondContact N-O 3.18Å
295	F	98.9	Very high	88.1	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	166.7	177.5	67.5	-77.1	0	0	0	111.5	V77 F82 V152 V155 A160 F163 L171 W245	V77-F295 HydrophobicContact CB-CE1 4.29Å; V77-F295 HydrophobicContact CB-CE2 4.14Å; V77-F295 HydrophobicContact CB-CZ 3.96Å; V77-F295 HydrophobicContact CG1-CZ 4.05Å; V77-F295 HydrophobicContact CG2-CD2 3.96Å; V77-F295 HydrophobicContact CG2-CE2 3.54Å; V77-F295 HydrophobicContact CG2-CZ 3.86Å; V77-F295 PolarHBondContact N-O 2.81Å; F82-F295 HydrophobicContact CD2-CE1 4.39Å; F82-F295 HydrophobicContact CD2-CZ 4.24Å; F82-F295 HydrophobicContact CE2-CE1 4.32Å; F82-F295 HydrophobicContact CE2-CZ 4.28Å; V152-F295 HydrophobicContact CG1-CD1 4.43Å; V152-F295 HydrophobicContact CG1-CE1 3.78Å; V155-F295 HydrophobicContact CB-CE1 4.28Å; V155-F295 HydrophobicContact CG2-CD1 3.73Å; V155-F295 HydrophobicContact CG2-CE1 3.86Å; A160-F295 HydrophobicContact CB-CB 3.89Å; A160-F295 HydrophobicContact CB-CD1 3.55Å; A160-F295 HydrophobicContact CB-CD2 3.64Å; A160-F295 HydrophobicContact CB-CE1 3.93Å; A160-F295 HydrophobicContact CB-CE2 3.98Å; A160-F295 HydrophobicContact CB-CG 3.41Å; A160-F295 VanDerWaalsContact CB-CG 3.41Å; A160-F295 HydrophobicContact CB-CZ 4.14Å; F163-F295 HydrophobicContact CB-CE2 4Å; F163-F295 HydrophobicContact CB-CZ 3.69Å; F163-F295 AromaticContact CD1-CE2 3.5Å; F163-F295 HydrophobicContact CD1-CE2 3.5Å; F163-F295 AromaticContact CD1-CZ 3.68Å; F163-F295 HydrophobicContact CD1-CZ 3.68Å; F163-F295 HydrophobicContact CD2-CZ 4.43Å; F163-F295 HydrophobicContact CE1-CE2 4.26Å; F163-F295 HydrophobicContact CE1-CZ 4.43Å; F163-F295 AromaticContact CG-CE2 3.94Å; F163-F295 HydrophobicContact CG-CE2 3.94Å; F163-F295 AromaticContact CG-CZ 3.66Å; F163-F295 HydrophobicContact CG-CZ 3.66Å; L171-F295 HydrophobicContact CD2-CB 4.02Å; L171-F295 HydrophobicContact CD2-CD2 3.95Å; L171-F295 HydrophobicContact CD2-CG 4.37Å; W245-F295 HydrophobicContact CB-CB 4.02Å
296	R	98.9	Very high	85.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.292	C	S	.	.			trans	-133.4	156.6	165.7	77.7	178.1	63.1	-151.5	4.7	110	I72 D73 K74 P172 Y236 D237 M238 E244	I72-R296 HydrophobicContact CD1-CG 4.29Å; I72-R296 HydrophobicContact CG1-CG 4.22Å; D73-R296 HydrophobicContact CB-CB 4.12Å; D73-R296 PolarHBondContact O-NH1 2.77Å; K74-R296 PolarHBondContact O-NH1 3.18Å; P172-R296 WeakPolarHBondContact CD-O 3.26Å; Y236-R296 PolarHBondContact O-NH1 3.11Å; Y236-R296 VanDerWaalsContact O-NH1 3.13Å; Y236-R296 PolarHBondContact O-NH2 2.93Å; D237-R296 VanDerWaalsContact C-NH2 3.32Å; D237-R296 PolarHBondContact O-NH2 3.15Å; M238-R296 PolarHBondContact SD-NH1 3.3Å; M238-R296 PolarHBondContact SD-NH2 3.19Å; E244-R296 VanDerWaalsContact CD-NE 3.26Å; E244-R296 IonicContact OE1-CZ 3.52Å; E244-R296 IonicContact OE1-NE 3.68Å; E244-R296 PolarHBondContact OE1-NE 2.94Å; E244-R296 IonicContact OE1-NH2 3.46Å; E244-R296 PolarHBondContact OE1-NH2 3.48Å; E244-R296 WeakPolarHBondContact OE2-CD 3.42Å; E244-R296 VanDerWaalsContact OE2-CG 3.31Å; E244-R296 WeakPolarHBondContact OE2-CG 3.21Å; E244-R296 IonicContact OE2-CZ 2.68Å; E244-R296 IonicContact OE2-NE 2.67Å; E244-R296 PolarHBondContact OE2-NE 2.71Å; E244-R296 IonicContact OE2-NH2 3.53Å
297	C	98.8	Very high	82.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.32	C	S	.	.			trans	-96	160.5	178.7	-56.2	0	0	0	0	112.6	I72 D73 C164 H169 R170	I72-C297 WeakPolarHBondContact CG1-O 3.46Å; D73-C297 PolarHBondContact N-O 2.65Å; D73-C297 WeakPolarHBondContact OD2-CA 3.27Å; D73-C297 WeakPolarHBondContact OD2-CB 3.29Å; D73-C297 PolarHBondContact OD2-N 3.22Å; C164-C297 WeakPolarHBondContact CA-SG 3.4Å; C164-C297 HydrophobicContact CB-CB 3.95Å; C164-C297 WeakPolarHBondContact CB-SG 3.4Å; C164-C297 VanDerWaalsContact SG-CA 3.57Å; C164-C297 WeakPolarHBondContact SG-CB 3.27Å; C164-C297 CovalentContact SG-SG 2.05Å; C164-C297 PolarHBondContact SG-SG 3.11Å; H169-C297 HydrophobicContact CB-CB 3.91Å; R170-C297 CarbonylContact O-C 3.54Å; R170-C297 WeakPolarHBondContact O-CA 3.42Å
298	A	98.7	Very high	79.5	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	158.7	171.1	0	0	0	0	0	110.2	F70 R71 I72 H169 R170 P172	F70-A298 HydrophobicContact CD2-CB 4.16Å; F70-A298 HydrophobicContact CE2-CB 4.45Å; R71-A298 CarbonylContact O-C 3.53Å; R71-A298 WeakPolarHBondContact O-CA 3.27Å; R71-A298 WeakPolarHBondContact O-CB 3.37Å; I72-A298 HydrophobicContact CG1-CB 4.31Å; H169-A298 WeakPolarHBondContact CB-O 3.49Å; R170-A298 VanDerWaalsContact CG-O 3.27Å; R170-A298 WeakPolarHBondContact CG-O 3.22Å; R170-A298 PolarHBondContact N-O 3.47Å; R170-A298 PolarHBondContact O-N 2.9Å; P172-A298 HydrophobicContact CB-CB 3.86Å
299	A	98.1	Very high	76.6	Confident	6 Å²	6	74.7 Å²	74.7	5%	0.05	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	134	177.2	0	0	0	0	0	109.7	M38 R71	M38-A299 HydrophobicContact CE-CB 3.88Å; M38-A299 HydrophobicContact SD-CB 4.13Å; R71-A299 HydrophobicContact CB-CB 4.4Å; R71-A299 PolarHBondContact N-O 3.1Å; R71-A299 PolarHBondContact O-N 3.46Å
300	S	94.1	Very high	75.5	Confident	73 Å²	73	78 Å²	78	51%	0.51	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	144.4	171.1	-54.9	0	0	0	0	109.7	R170 G302	R170-S300 PolarHBondContact NE-OG 2.91Å; R170-S300 PolarHBondContact NH2-OG 3.43Å; S300-G302 PolarHBondContact O-N 3.09Å
301	L	87.6	Confident	74.3	Confident	79 Å²	79	81.5 Å²	81.5	41%	0.414	43%	0.431	S	S	.	.			trans	-70.5	114.4	164.9	-63.1	-178	0	0	0	106.6	P69 R71 Q303	P69-L301 HydrophobicContact CB-CD1 3.73Å; R71-L301 HydrophobicContact CG-CD2 3.76Å; L301-Q303 PolarHBondContact O-N 2.82Å
302	G	68.4	Low	72.9	Confident	68 Å²	68	85.4 Å²	85.4	70%	0.701	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-52	131.5	173.3	0	0	0	0	0	108.7	S300 K304	S300-G302 PolarHBondContact O-N 3.09Å; G302-K304 PolarHBondContact O-N 3.35Å
303	Q	42.1	Very low	71.4	Confident	191 Å²	191	89.9 Å²	89.9	89%	0.893	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-52.5	120.5	160.6	-75.1	-176.2	-13.2	0	0	104.9	L301 E305	L301-Q303 PolarHBondContact O-N 2.82Å; Q303-E305 PolarHBondContact O-N 2.72Å
304	K	40.1	Very low	69.7	Low	196 Å²	196	95.5 Å²	95.5	85%	0.852	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-46.1	120.8	163.8	-79	-177.2	174.4	-177.9	0	105.1	G302 K306	G302-K304 PolarHBondContact O-N 3.35Å; K304-K306 PolarHBondContact O-N 3.03Å
305	E	39.3	Very low	67.8	Low	186 Å²	186	101.9 Å²	101.9	87%	0.869	54%	0.539	S	S	*	.			trans	-44	116.3	162.2	-76.7	175.1	152.8	0	0	105	Q303 A307	Q303-E305 PolarHBondContact O-N 2.72Å; E305-A307 PolarHBondContact O-N 3.22Å
306	K	35.5	Very low	65.5	Low	200 Å²	200	109.1 Å²	109.1	87%	0.87	58%	0.578	S	S	*	*			trans	-58.6	100.5	165.5	-81.4	-176.8	174.8	-178.9	0	103.6	K304 E308	K304-K306 PolarHBondContact O-N 3.03Å; K306-E308 VanDerWaalsContact C-N 3.31Å; K306-E308 PolarHBondContact O-N 2.7Å
307	A	40.8	Very low	63	Low	90 Å²	90	117.5 Å²	117.5	74%	0.744	62%	0.622	S	S	*	*			trans	-54	108.5	161.4	0	0	0	0	0	104.7	E305 L309	E305-A307 PolarHBondContact O-N 3.22Å; A307-L309 PolarHBondContact O-N 3.47Å; A307-L309 VanDerWaalsContact O-N 3.13Å
308	E	37.3	Very low	60	Low	196 Å²	196	127.3 Å²	127.3	92%	0.916	67%	0.674	S	S	*	*			trans	-54.6	116.1	169.4	-67.9	179.4	153.2	0	0	106.6	K306	K306-E308 VanDerWaalsContact C-N 3.31Å; K306-E308 PolarHBondContact O-N 2.7Å
309	L	37.8	Very low	56.5	Low	243 Å²	243	138.9 Å²	138.9	100%	1.272	74%	0.735	S	S	*	*			trans	-92.5	0	161.4	-89.5	163.6	0	0	0	107.6	A307	A307-L309 PolarHBondContact O-N 3.47Å; A307-L309 VanDerWaalsContact O-N 3.13Å

Retrieved 309 of 309 residues in 303.7 ms (Link to these results)

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