A0A087XHG9_POEFO Loading...

Cathepsin B

AlphaFold DB , UniProt , Accession A0A087XHG9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 334 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	44.1	Very low	237 Å²	237	154.5 Å²	154.5	100%	1.167	84%	0.836	S	S	*	*				0	107.5	0	-73.4	169.3	70.6	0	0	107.7
2	H	35.8	Very low	44.6	Very low	181 Å²	181	149.7 Å²	149.7	84%	0.838	83%	0.833	S	S	*	*			trans	-116.7	126.9	173	-90.1	0.4	0	0	0	107.7
3	P	50.7	Low	44.7	Very low	108 Å²	108	143.1 Å²	143.1	70%	0.701	82%	0.819	S	S	*	*			trans	-85.1	124.1	174.6	32.3	-26.7	0	0	0	109.1
4	F	40.9	Very low	45.1	Very low	199 Å²	199	141.4 Å²	141.4	87%	0.873	82%	0.821	S	S	*	*			trans	-75.4	118.2	164.8	-97	-94.6	0	0	0	108.5
5	F	45.7	Very low	45.3	Very low	198 Å²	198	139.5 Å²	139.5	87%	0.868	81%	0.812	S	S	*	*			trans	-82.2	113.7	165.6	-97.9	-91.3	0	0	0	108.6	L7	F5-L7 PolarHBondContact O-N 3.24Å
6	L	43.6	Very low	45.5	Very low	158 Å²	158	136.6 Å²	136.6	83%	0.827	81%	0.809	S	S	*	*			trans	-78	114.4	165.7	-102.9	110.1	0	0	0	108.8	C8	L6-C8 PolarHBondContact O-N 3.4Å
7	L	42.5	Very low	45.7	Very low	155 Å²	155	141.9 Å²	141.9	81%	0.812	81%	0.812	S	S	*	*			trans	-83	102	170.8	-159.7	83.3	0	0	0	108.4	F5 V9	F5-L7 PolarHBondContact O-N 3.24Å; L7-V9 HydrophobicContact CD2-CG2 4.37Å; L7-V9 PolarHBondContact O-N 3.4Å
8	C	41	Very low	46.1	Very low	122 Å²	122	139.2 Å²	139.2	82%	0.824	81%	0.809	S	S	*	*			trans	-74.9	105.7	169.4	-81.5	0	0	0	0	109.4	L6 A10	L6-C8 PolarHBondContact O-N 3.4Å; C8-A10 PolarHBondContact O-N 3.32Å
9	V	47.4	Very low	46.8	Very low	114 Å²	114	143.7 Å²	143.7	69%	0.691	81%	0.811	S	S	*	*			trans	-80.2	105.6	169	178.9	0	0	0	0	108.1	L7 V11	L7-V9 HydrophobicContact CD2-CG2 4.37Å; L7-V9 PolarHBondContact O-N 3.4Å; V9-V11 HydrophobicContact CG1-CG2 4.28Å; V9-V11 PolarHBondContact O-N 2.65Å
10	A	47.4	Very low	47.7	Very low	97 Å²	97	142.3 Å²	142.3	80%	0.802	81%	0.808	S	S	*	*			trans	-79	106.7	169.3	0	0	0	0	0	109	C8 A12	C8-A10 PolarHBondContact O-N 3.32Å; A10-A12 PolarHBondContact O-N 2.67Å
11	V	50.8	Low	48.9	Very low	130 Å²	130	140.4 Å²	140.4	79%	0.788	80%	0.796	S	S	*	*			trans	-80.4	100.2	169.8	-179.4	0	0	0	0	107.6	V9 G13	V9-V11 HydrophobicContact CG1-CG2 4.28Å; V9-V11 PolarHBondContact O-N 2.65Å; V11-G13 PolarHBondContact O-N 3.23Å; V11-G13 VanDerWaalsContact O-N 3.15Å
12	A	49.8	Very low	50.8	Low	97 Å²	97	130 Å²	130	80%	0.802	75%	0.746	S	S	*	*			trans	-75.2	96.9	168.2	0	0	0	0	0	108.6	A10 S14	A10-A12 PolarHBondContact O-N 2.67Å; A12-S14 PolarHBondContact O-N 3.36Å
13	G	46.9	Very low	53.1	Low	64 Å²	64	124.5 Å²	124.5	66%	0.66	73%	0.728	S	S	*	*			trans	-71.6	104.3	168.8	0	0	0	0	0	109.8	V11 V15	V11-G13 PolarHBondContact O-N 3.23Å; V11-G13 VanDerWaalsContact O-N 3.15Å; G13-V15 PolarHBondContact O-N 2.93Å
14	S	50.4	Low	54.6	Low	120 Å²	120	120 Å²	120	84%	0.839	70%	0.699	S	S	*	*			trans	-72.5	94.5	167.3	48.3	0	0	0	0	108.9	A12 A16	A12-S14 PolarHBondContact O-N 3.36Å; S14-A16 VanDerWaalsContact C-N 3.32Å; S14-A16 PolarHBondContact O-N 2.89Å
15	V	47.2	Very low	56.7	Low	113 Å²	113	112 Å²	112	69%	0.685	66%	0.663	S	S	*	*			trans	-72.3	93.7	164.5	-173.5	0	0	0	0	106.4	G13 W17	G13-V15 PolarHBondContact O-N 2.93Å; V15-W17 PolarHBondContact O-N 2.88Å; V15-W17 VanDerWaalsContact O-N 3.07Å
16	A	49.3	Very low	58.6	Low	92 Å²	92	103.7 Å²	103.7	76%	0.76	63%	0.63	S	S	*	*			trans	-68	102.1	164.1	0	0	0	0	0	106.7	S14 A18	S14-A16 VanDerWaalsContact C-N 3.32Å; S14-A16 PolarHBondContact O-N 2.89Å; A16-A18 VanDerWaalsContact C-N 3.3Å; A16-A18 PolarHBondContact O-N 2.85Å
17	W	48.5	Very low	60.7	Low	228 Å²	228	101 Å²	101	86%	0.864	62%	0.624	S	S	*	*			trans	-67.3	94.8	169	-72.9	65.9	0	0	0	106.9	V15 R19	V15-W17 PolarHBondContact O-N 2.88Å; V15-W17 VanDerWaalsContact O-N 3.07Å; W17-R19 PolarHBondContact O-N 3.22Å; W17-R19 VanDerWaalsContact O-N 3.11Å
18	A	53.5	Low	63	Low	92 Å²	92	99.2 Å²	99.2	76%	0.76	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-57.5	117.2	165.6	0	0	0	0	0	106.6	A16	A16-A18 VanDerWaalsContact C-N 3.3Å; A16-A18 PolarHBondContact O-N 2.85Å
19	R	58.2	Low	65.4	Low	226 Å²	226	93.4 Å²	93.4	85%	0.853	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-60.3	129.8	170.9	-70.8	-174.5	179.5	-174.3	-0	106.8	W17 N21	W17-R19 PolarHBondContact O-N 3.22Å; W17-R19 VanDerWaalsContact O-N 3.11Å; R19-N21 PolarHBondContact O-N 2.84Å
20	P	65.6	Low	67.5	Low	115 Å²	115	89.1 Å²	89.1	75%	0.747	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-58.3	134.6	175.5	22.6	-30	0	0	0	108.7
21	N	71.7	Confident	69.7	Low	103 Å²	103	90.2 Å²	90.2	55%	0.551	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-58.7	131.6	173.3	-82.3	-13.4	0	0	0	108.3	R19 E275	R19-N21 PolarHBondContact O-N 2.84Å; N21-E275 PolarHBondContact ND2-OE1 3.12Å
22	P	79.1	Confident	71.7	Confident	19 Å²	19	87.5 Å²	87.5	12%	0.123	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-57.8	145.8	176.5	-12.7	21	0	0	0	109.8	S26 E28 L29 L32	P22-S26 WeakPolarHBondContact CB-OG 3.47Å; P22-E28 HydrophobicContact CB-CB 4.14Å; P22-E28 HydrophobicContact CB-CG 4Å; P22-E28 HydrophobicContact CG-CG 4.02Å; P22-L29 HydrophobicContact CB-CB 4.22Å; P22-L29 HydrophobicContact CG-CD1 4.5Å; P22-L32 HydrophobicContact CG-CD1 3.44Å; P22-L32 VanDerWaalsContact CG-CD1 3.44Å
23	S	85	Confident	73.7	Confident	65 Å²	65	82.9 Å²	82.9	46%	0.455	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-56.4	141.5	174.1	167.6	0	0	0	0	110.3	F25 S26	S23-F25 PolarHBondContact O-N 2.9Å; S23-F25 PolarHBondContact OG-N 3.5Å; S23-S26 VanDerWaalsContact O-CB 3.3Å; S23-S26 WeakPolarHBondContact O-CB 3.32Å; S23-S26 PolarHBondContact O-N 3.25Å; S23-S26 PolarHBondContact O-OG 3.02Å
24	P	82.1	Confident	75.9	Confident	14 Å²	14	82.9 Å²	82.9	9%	0.091	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-23.9	178	16.3	-30.2	0	0	0	113.9	L29 I51 E257 L260 Q261	P24-L29 WeakPolarHBondContact O-CD2 3.41Å; P24-I51 HydrophobicContact CB-CD1 4.19Å; P24-I51 HydrophobicContact CG-CD1 3.66Å; P24-I51 HydrophobicContact CG-CG1 4.39Å; P24-E257 HydrophobicContact CB-CB 3.92Å; P24-E257 HydrophobicContact CB-CG 3.84Å; P24-E257 HydrophobicContact CG-CG 4.46Å; P24-L260 HydrophobicContact CB-CD1 4.45Å; P24-Q261 PolarHBondContact O-NE2 3.31Å
25	F	84.3	Confident	78	Confident	30 Å²	30	84.7 Å²	84.7	13%	0.132	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	10.4	-176.7	-46.1	-57.9	0	0	0	113.4	S23 F46 V49 I51 V54 L260	S23-F25 PolarHBondContact O-N 2.9Å; S23-F25 PolarHBondContact OG-N 3.5Å; F25-F46 HydrophobicContact CD1-CB 3.55Å; F25-F46 HydrophobicContact CD1-CG 4.46Å; F25-F46 HydrophobicContact CE1-CB 3.62Å; F25-F46 HydrophobicContact CE1-CD1 4.32Å; F25-F46 HydrophobicContact CE1-CG 4.11Å; F25-V49 WeakPolarHBondContact CE2-O 3.28Å; F25-V49 HydrophobicContact CZ-CB 4.47Å; F25-I51 HydrophobicContact CE2-CD1 4.26Å; F25-I51 HydrophobicContact CZ-CD1 3.86Å; F25-V54 HydrophobicContact CE1-CG2 4.15Å; F25-V54 HydrophobicContact CZ-CG2 3.81Å; F25-L260 HydrophobicContact CE1-CD1 3.82Å; F25-L260 HydrophobicContact CZ-CD1 4.48Å
26	S	85.9	Confident	80.2	Confident	24 Å²	24	81.7 Å²	81.7	17%	0.168	44%	0.441	C	S	.	.			trans	-84.4	149.3	-175.7	67.1	0	0	0	0	112.9	P22 S23 E28 L29 I30	P22-S26 WeakPolarHBondContact CB-OG 3.47Å; S23-S26 VanDerWaalsContact O-CB 3.3Å; S23-S26 WeakPolarHBondContact O-CB 3.32Å; S23-S26 PolarHBondContact O-N 3.25Å; S23-S26 PolarHBondContact O-OG 3.02Å; S26-E28 PolarHBondContact O-N 3.21Å; S26-L29 PolarHBondContact O-N 3.45Å; S26-L29 PolarHBondContact OG-N 3.49Å; S26-L29 VanDerWaalsContact OG-N 3.13Å; S26-I30 PolarHBondContact O-N 2.52Å
27	S	88.9	Confident	82.1	Confident	101 Å²	101	84.3 Å²	84.3	71%	0.706	44%	0.442	S	S	*	.	H	α-helix	trans	-63.1	-23.9	167.2	53.9	0	0	0	0	112.5	H31	S27-H31 WeakPolarHBondContact O-CB 3.47Å; S27-H31 PolarHBondContact O-N 3.14Å
28	E	91	Very high	84.3	Confident	117 Å²	117	75.7 Å²	75.7	55%	0.547	42%	0.415	S	S	.	.	H	α-helix	trans	-65.1	-45.7	174.7	-177.5	174.8	-168	0	0	111.5	P22 S26 I30 H31 L32	P22-E28 HydrophobicContact CB-CB 4.14Å; P22-E28 HydrophobicContact CB-CG 4Å; P22-E28 HydrophobicContact CG-CG 4.02Å; S26-E28 PolarHBondContact O-N 3.21Å; E28-I30 PolarHBondContact O-N 3.11Å; E28-H31 PolarHBondContact O-N 2.85Å; E28-L32 HydrophobicContact CG-CD1 4.35Å; E28-L32 WeakPolarHBondContact O-CG 3.33Å; E28-L32 PolarHBondContact O-N 3.3Å
29	L	90.1	Very high	86.3	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.005	39%	0.392	C	S	.	.	H	α-helix	trans	-60.2	-46.6	175.7	-171.5	67.9	0	0	0	111.4	P22 P24 S26 H31 L32 I33 T273	P22-L29 HydrophobicContact CB-CB 4.22Å; P22-L29 HydrophobicContact CG-CD1 4.5Å; P24-L29 WeakPolarHBondContact O-CD2 3.41Å; S26-L29 PolarHBondContact O-N 3.45Å; S26-L29 PolarHBondContact OG-N 3.49Å; S26-L29 VanDerWaalsContact OG-N 3.13Å; L29-H31 VanDerWaalsContact C-N 3.29Å; L29-H31 PolarHBondContact O-N 2.85Å; L29-L32 WeakPolarHBondContact O-CB 3.41Å; L29-L32 PolarHBondContact O-N 3.24Å; L29-L32 VanDerWaalsContact O-N 3.15Å; L29-I33 HydrophobicContact CG-CD1 3.95Å; L29-I33 WeakPolarHBondContact O-CG1 3.34Å; L29-I33 PolarHBondContact O-N 3.47Å; L29-T273 HydrophobicContact CD1-CG2 3.57Å
30	I	91.8	Very high	88	Confident	24 Å²	24	63 Å²	63	12%	0.123	35%	0.352	C	S	.	.	H	α-helix	trans	-57.5	-44.2	176.4	-66	168.8	0	0	0	110.7	S26 E28 I33 N34 A42 Q44 Q261	S26-I30 PolarHBondContact O-N 2.52Å; E28-I30 PolarHBondContact O-N 3.11Å; I30-I33 PolarHBondContact O-N 3.36Å; I30-N34 WeakPolarHBondContact O-CB 3.47Å; I30-N34 PolarHBondContact O-N 2.67Å; I30-N34 PolarHBondContact O-ND2 3.23Å; I30-A42 HydrophobicContact CB-CB 4.47Å; I30-A42 HydrophobicContact CG1-CB 4.5Å; I30-A42 HydrophobicContact CG2-CB 4.13Å; I30-Q44 HydrophobicContact CD1-CB 3.89Å; I30-Q261 HydrophobicContact CG1-CB 4.45Å; I30-Q261 HydrophobicContact CG1-CG 4.11Å
31	H	92.8	Very high	89.3	Confident	120 Å²	120	61.2 Å²	61.2	56%	0.556	34%	0.339	S	S	*	.	H	α-helix	trans	-64.2	-41.1	177.8	-175.9	70.4	0	0	0	112.1	S27 E28 L29 N34 K35	S27-H31 WeakPolarHBondContact O-CB 3.47Å; S27-H31 PolarHBondContact O-N 3.14Å; E28-H31 PolarHBondContact O-N 2.85Å; L29-H31 VanDerWaalsContact C-N 3.29Å; L29-H31 PolarHBondContact O-N 2.85Å; H31-N34 PolarHBondContact O-N 2.85Å; H31-K35 WeakPolarHBondContact O-CB 3.3Å; H31-K35 PolarHBondContact O-N 3.38Å
32	L	92.8	Very high	90.2	Very high	73 Å²	73	56.5 Å²	56.5	38%	0.382	32%	0.315	S	S	.	.	H	α-helix	trans	-62.3	-46.4	177.1	-72.2	169.9	0	0	0	111.9	P22 E28 L29 K35 A36	P22-L32 HydrophobicContact CG-CD1 3.44Å; P22-L32 VanDerWaalsContact CG-CD1 3.44Å; E28-L32 HydrophobicContact CG-CD1 4.35Å; E28-L32 WeakPolarHBondContact O-CG 3.33Å; E28-L32 PolarHBondContact O-N 3.3Å; L29-L32 WeakPolarHBondContact O-CB 3.41Å; L29-L32 PolarHBondContact O-N 3.24Å; L29-L32 VanDerWaalsContact O-N 3.15Å; L32-K35 PolarHBondContact O-N 3.05Å; L32-A36 PolarHBondContact O-N 3.29Å; L32-A36 VanDerWaalsContact O-N 3.12Å
33	I	93	Very high	90.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-60.5	-50.6	177.5	-63.3	158.2	0	0	0	110.1	L29 I30 K35 A36 W40 A42 D258 Q261 V272 T273	L29-I33 HydrophobicContact CG-CD1 3.95Å; L29-I33 WeakPolarHBondContact O-CG1 3.34Å; L29-I33 PolarHBondContact O-N 3.47Å; I30-I33 PolarHBondContact O-N 3.36Å; I33-K35 VanDerWaalsContact C-N 3.26Å; I33-K35 PolarHBondContact O-N 3.12Å; I33-A36 WeakPolarHBondContact O-CB 3.22Å; I33-A36 PolarHBondContact O-N 3.33Å; I33-W40 HydrophobicContact CD1-CH2 4Å; I33-W40 HydrophobicContact CG2-CD2 4.48Å; I33-W40 HydrophobicContact CG2-CH2 3.68Å; I33-W40 HydrophobicContact CG2-CZ2 3.59Å; I33-W40 HydrophobicContact CG2-CZ3 4.17Å; I33-A42 HydrophobicContact CB-CB 3.79Å; I33-A42 HydrophobicContact CD1-CB 3.77Å; I33-A42 HydrophobicContact CG1-CB 4.41Å; I33-A42 HydrophobicContact CG2-CB 3.67Å; I33-D258 HydrophobicContact CD1-CB 3.61Å; I33-D258 HydrophobicContact CG1-CB 4.14Å; I33-Q261 HydrophobicContact CD1-CB 4.43Å; I33-V272 HydrophobicContact CG2-CG2 4.46Å; I33-T273 HydrophobicContact CG1-CG2 4.17Å
34	N	93.6	Very high	90.6	Very high	64 Å²	64	56.9 Å²	56.9	34%	0.342	31%	0.312	S	S	.	.	H	α-helix	trans	-67.1	-27.5	-178	-70.6	-23.9	0	0	0	112.8	I30 H31 A36 N37 T41 A42	I30-N34 WeakPolarHBondContact O-CB 3.47Å; I30-N34 PolarHBondContact O-N 2.67Å; I30-N34 PolarHBondContact O-ND2 3.23Å; H31-N34 PolarHBondContact O-N 2.85Å; N34-A36 VanDerWaalsContact C-N 3.35Å; N34-N37 PolarHBondContact O-N 2.81Å; N34-T41 WeakPolarHBondContact OD1-CA 3.41Å; N34-T41 WeakPolarHBondContact OD1-CG2 3.43Å; N34-A42 PolarHBondContact ND2-O 2.76Å; N34-A42 PolarHBondContact OD1-N 3.48Å
35	K	94.8	Very high	90.5	Very high	157 Å²	157	56.4 Å²	56.4	68%	0.683	31%	0.308	S	S	*	.	H	α-helix	trans	-73.9	-25.2	173.8	-174	176.5	179.7	-179.5	0	112.9	H31 L32 I33 N37	H31-K35 WeakPolarHBondContact O-CB 3.3Å; H31-K35 PolarHBondContact O-N 3.38Å; L32-K35 PolarHBondContact O-N 3.05Å; I33-K35 VanDerWaalsContact C-N 3.26Å; I33-K35 PolarHBondContact O-N 3.12Å; K35-N37 PolarHBondContact O-N 3.33Å
36	A	93.1	Very high	90.2	Very high	50 Å²	50	55 Å²	55	41%	0.413	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.6	176.1	0	0	0	0	0	113	L32 I33 N34 T38 V272	L32-A36 PolarHBondContact O-N 3.29Å; L32-A36 VanDerWaalsContact O-N 3.12Å; I33-A36 WeakPolarHBondContact O-CB 3.22Å; I33-A36 PolarHBondContact O-N 3.33Å; N34-A36 VanDerWaalsContact C-N 3.35Å; A36-T38 VanDerWaalsContact C-N 3.29Å; A36-T38 HydrophobicContact CB-CG2 3.82Å; A36-T38 PolarHBondContact O-N 3Å; A36-V272 HydrophobicContact CB-CG1 3.76Å
37	N	89.4	Confident	89.7	Confident	148 Å²	148	57.2 Å²	57.2	79%	0.791	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	47.3	175.8	-165.8	49.4	0	0	0	112.2	N34 K35	N34-N37 PolarHBondContact O-N 2.81Å; K35-N37 PolarHBondContact O-N 3.33Å
38	T	93.4	Very high	88.7	Confident	46 Å²	46	60.4 Å²	60.4	28%	0.282	32%	0.319	S	S	.	.			trans	-83.6	-174.8	178.5	69.4	0	0	0	0	110.9	A36 W40 V272	A36-T38 VanDerWaalsContact C-N 3.29Å; A36-T38 HydrophobicContact CB-CG2 3.82Å; A36-T38 PolarHBondContact O-N 3Å; T38-W40 PolarHBondContact O-N 2.82Å; T38-W40 VanDerWaalsContact OG1-CD1 3.27Å; T38-W40 PolarHBondContact OG1-NE1 3.11Å; T38-W40 PolarHBondContact OG1-O 2.58Å; T38-V272 HydrophobicContact CG2-CG2 3.57Å
39	T	94.8	Very high	88.1	Confident	45 Å²	45	56.2 Å²	56.2	28%	0.276	30%	0.301	S	S	.	.	S	Bend	trans	-79	5.5	-176.7	51.2	0	0	0	0	113.9	G267 V268 Q270 T293	T39-G267 CarbonylContact O-C 2.83Å; T39-G267 WeakPolarHBondContact O-CA 3.29Å; T39-V268 CarbonylContact C-O 3.57Å; T39-V268 PolarHBondContact O-N 3Å; T39-V268 PolarHBondContact OG1-O 2.63Å; T39-Q270 VanDerWaalsContact CG2-NE2 3.26Å; T39-Q270 PolarHBondContact OG1-NE2 2.98Å; T39-T293 HydrophobicContact CG2-CG2 3.95Å; T39-T293 VanDerWaalsContact CG2-OG1 3.22Å; T39-T293 WeakPolarHBondContact CG2-OG1 3.39Å
40	W	94.8	Very high	87.8	Confident	6 Å²	6	61 Å²	61	2%	0.023	33%	0.327	C	S	.	.	S	Bend	trans	-142.4	160.3	179.2	65.1	-75.9	0	0	0	110.8	I33 T38 A42 D258 Y262 Y269 Q270 V272	I33-W40 HydrophobicContact CD1-CH2 4Å; I33-W40 HydrophobicContact CG2-CD2 4.48Å; I33-W40 HydrophobicContact CG2-CH2 3.68Å; I33-W40 HydrophobicContact CG2-CZ2 3.59Å; I33-W40 HydrophobicContact CG2-CZ3 4.17Å; T38-W40 PolarHBondContact O-N 2.82Å; T38-W40 VanDerWaalsContact OG1-CD1 3.27Å; T38-W40 PolarHBondContact OG1-NE1 3.11Å; T38-W40 PolarHBondContact OG1-O 2.58Å; W40-A42 HydrophobicContact CH2-CB 4.29Å; W40-A42 HydrophobicContact CZ3-CB 3.84Å; W40-D258 HydrophobicContact CH2-CB 4.18Å; W40-D258 VanDerWaalsContact CH2-O 3.28Å; W40-D258 WeakPolarHBondContact CH2-O 3.5Å; W40-D258 HydrophobicContact CZ2-CB 4.33Å; W40-Y262 HydrophobicContact CB-CE2 4.34Å; W40-Y262 HydrophobicContact CD2-CD2 4.44Å; W40-Y262 AromaticContact CE3-CD2 3.96Å; W40-Y262 HydrophobicContact CE3-CD2 3.96Å; W40-Y269 HydrophobicContact CD2-CD2 4.08Å; W40-Y269 AromaticContact CE2-CD2 3.64Å; W40-Y269 HydrophobicContact CE3-CD2 4.48Å; W40-Y269 HydrophobicContact CH2-CD2 4.09Å; W40-Y269 HydrophobicContact CH2-CE2 4.11Å; W40-Y269 AromaticContact CZ2-CD2 3.65Å; W40-Y269 HydrophobicContact CZ2-CD2 3.65Å; W40-Y269 AromaticContact CZ2-CE2 3.66Å; W40-Y269 HydrophobicContact CZ2-CE2 3.66Å; W40-Y269 HydrophobicContact CZ3-CD2 4.48Å; W40-Y269 AromaticContact NE1-CD2 3.97Å; W40-Q270 PolarHBondContact NE1-O 3.42Å; W40-V272 HydrophobicContact CZ2-CG2 4.35Å
41	T	92.3	Very high	87.5	Confident	78 Å²	78	61.9 Å²	61.9	48%	0.479	33%	0.332	S	S	.	.			trans	-113	126.8	177.8	-57.3	0	0	0	0	109.3	N34	N34-T41 WeakPolarHBondContact OD1-CA 3.41Å; N34-T41 WeakPolarHBondContact OD1-CG2 3.43Å
42	A	92	Very high	87.2	Confident	5 Å²	5	59.6 Å²	59.6	4%	0.041	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-77.1	140.9	172	0	0	0	0	0	110.5	I30 I33 N34 W40 Q261	I30-A42 HydrophobicContact CB-CB 4.47Å; I30-A42 HydrophobicContact CG1-CB 4.5Å; I30-A42 HydrophobicContact CG2-CB 4.13Å; I33-A42 HydrophobicContact CB-CB 3.79Å; I33-A42 HydrophobicContact CD1-CB 3.77Å; I33-A42 HydrophobicContact CG1-CB 4.41Å; I33-A42 HydrophobicContact CG2-CB 3.67Å; N34-A42 PolarHBondContact ND2-O 2.76Å; N34-A42 PolarHBondContact OD1-N 3.48Å; W40-A42 HydrophobicContact CH2-CB 4.29Å; W40-A42 HydrophobicContact CZ3-CB 3.84Å; A42-Q261 WeakPolarHBondContact CA-O 3.42Å; A42-Q261 HydrophobicContact CB-CB 3.89Å
43	G	88.9	Confident	86.9	Confident	14 Å²	14	56.7 Å²	56.7	14%	0.144	31%	0.313	C	S	.	.			trans	-147.9	158	170.7	0	0	0	0	0	110.1	N45 Q261	G43-N45 PolarHBondContact O-N 3.33Å; G43-Q261 PolarHBondContact N-O 3.44Å; G43-Q261 CarbonylContact O-C 3.55Å; G43-Q261 WeakPolarHBondContact O-CA 3.5Å; G43-Q261 PolarHBondContact O-OE1 3.28Å
44	Q	83.9	Confident	86.7	Confident	77 Å²	77	56.7 Å²	56.7	36%	0.36	31%	0.313	S	S	.	.			trans	-66.3	111.6	-177.1	-164.6	166.8	17.8	0	0	110.5	I30 H47 K263	I30-Q44 HydrophobicContact CD1-CB 3.89Å; Q44-H47 PolarHBondContact NE2-CE1 3.4Å; Q44-H47 PolarHBondContact NE2-ND1 3Å; Q44-H47 PolarHBondContact OE1-CE1 2.84Å; Q44-H47 VanDerWaalsContact OE1-CE1 3.25Å; Q44-K263 PolarHBondContact O-NZ 3.19Å
45	N	79.3	Confident	86.7	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.021	32%	0.317	C	S	.	.			trans	-100.3	-57.2	166.2	-71.5	-39.8	0	0	0	109.8	G43 H47 H188 V189 L260 Y262	G43-N45 PolarHBondContact O-N 3.33Å; N45-H47 PolarHBondContact O-CD2 3.01Å; N45-H188 HydrophobicContact CB-CB 4.27Å; N45-H188 CarbonylContact O-C 3.58Å; N45-H188 VanDerWaalsContact O-CA 3.24Å; N45-H188 WeakPolarHBondContact O-CA 3.31Å; N45-H188 WeakPolarHBondContact O-CB 3.21Å; N45-V189 WeakPolarHBondContact O-CG1 3.47Å; N45-V189 PolarHBondContact O-N 2.91Å; N45-L260 VanDerWaalsContact CB-O 3.32Å; N45-L260 WeakPolarHBondContact CB-O 3.33Å; N45-L260 PolarHBondContact ND2-O 3.07Å; N45-Y262 PolarHBondContact ND2-O 3.14Å
46	F	78.1	Confident	86.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.289	C	S	.	.			trans	-85.3	132	-176.6	-67	-109.4	0	0	0	112.6	F25 V49 V54 L57 H187 H188 L260 W302	F25-F46 HydrophobicContact CD1-CB 3.55Å; F25-F46 HydrophobicContact CD1-CG 4.46Å; F25-F46 HydrophobicContact CE1-CB 3.62Å; F25-F46 HydrophobicContact CE1-CD1 4.32Å; F25-F46 HydrophobicContact CE1-CG 4.11Å; F46-V49 HydrophobicContact CB-CG2 4.23Å; F46-V49 HydrophobicContact CD1-CB 4.45Å; F46-V49 HydrophobicContact CD1-CG2 4.08Å; F46-V54 HydrophobicContact CD1-CG2 3.95Å; F46-V54 HydrophobicContact CE1-CG1 4.24Å; F46-V54 HydrophobicContact CE1-CG2 3.76Å; F46-V54 HydrophobicContact CZ-CG1 4.35Å; F46-L57 HydrophobicContact CE1-CD1 4.23Å; F46-H187 WeakPolarHBondContact CD1-O 3.17Å; F46-H187 WeakPolarHBondContact CE1-O 3.33Å; F46-H188 CarbonylContact C-O 3.6Å; F46-H188 WeakPolarHBondContact CA-O 3.3Å; F46-H188 AromaticContact CD1-ND1 3.27Å; F46-H188 VanDerWaalsContact CD1-ND1 3.27Å; F46-H188 WeakPolarHBondContact CD1-ND1 3.34Å; F46-H188 AromaticContact CD2-ND1 3.37Å; F46-H188 WeakPolarHBondContact CD2-ND1 3.48Å; F46-H188 AromaticContact CE1-CE1 3.29Å; F46-H188 WeakPolarHBondContact CE1-CE1 3.48Å; F46-H188 AromaticContact CE1-ND1 3Å; F46-H188 WeakPolarHBondContact CE1-ND1 3.42Å; F46-H188 AromaticContact CE2-CE1 3.36Å; F46-H188 WeakPolarHBondContact CE2-CE1 3.44Å; F46-H188 AromaticContact CE2-ND1 3.1Å; F46-H188 WeakPolarHBondContact CE2-ND1 3.19Å; F46-H188 AromaticContact CG-ND1 3.48Å; F46-H188 WeakPolarHBondContact CG-ND1 3.28Å; F46-H188 AromaticContact CZ-CE1 2.93Å; F46-H188 WeakPolarHBondContact CZ-CE1 3.48Å; F46-H188 AromaticContact CZ-ND1 2.96Å; F46-H188 WeakPolarHBondContact CZ-ND1 3.47Å; F46-L260 HydrophobicContact CD2-CB 3.66Å; F46-L260 HydrophobicContact CD2-CG 4.48Å; F46-L260 WeakPolarHBondContact CD2-O 3.24Å; F46-L260 HydrophobicContact CE2-CB 3.57Å; F46-L260 HydrophobicContact CE2-CD2 3.72Å; F46-L260 HydrophobicContact CE2-CG 4.13Å; F46-L260 HydrophobicContact CZ-CB 4.4Å; F46-L260 HydrophobicContact CZ-CD2 3.72Å; F46-L260 HydrophobicContact CZ-CG 4.49Å; F46-W302 HydrophobicContact CE2-CZ3 4.41Å; F46-W302 HydrophobicContact CZ-CE3 4.21Å; F46-W302 HydrophobicContact CZ-CZ3 4.14Å
47	H	74.1	Confident	86.5	Confident	72 Å²	72	49.7 Å²	49.7	33%	0.333	27%	0.27	S	S	.	.			trans	-123.4	117.6	179.1	-69.6	-93.2	0	0	0	111.2	Q44 N45 V49 H188	Q44-H47 PolarHBondContact NE2-CE1 3.4Å; Q44-H47 PolarHBondContact NE2-ND1 3Å; Q44-H47 PolarHBondContact OE1-CE1 2.84Å; Q44-H47 VanDerWaalsContact OE1-CE1 3.25Å; N45-H47 PolarHBondContact O-CD2 3.01Å; H47-V49 VanDerWaalsContact O-CG2 3.28Å; H47-V49 WeakPolarHBondContact O-CG2 3.04Å; H47-V49 PolarHBondContact O-N 3.05Å; H47-V49 VanDerWaalsContact O-N 3.15Å; H47-H188 WeakPolarHBondContact CB-O 3.29Å; H47-H188 PolarHBondContact CD2-O 2.84Å; H47-H188 VanDerWaalsContact CD2-O 3.29Å; H47-H188 PolarHBondContact N-O 2.89Å
48	N	68.5	Low	86.9	Confident	168 Å²	168	43.3 Å²	43.3	90%	0.898	24%	0.236	S	C	*	.	S	Bend	trans	53.5	34.8	171.5	-60.6	-23.4	0	0	0	114.8
49	V	77.9	Confident	87.1	Confident	29 Å²	29	41.4 Å²	41.4	18%	0.176	23%	0.226	C	C	.	.			trans	-93.2	144.5	-179.5	-162.1	0	0	0	0	109.4	F25 F46 H47 Y53 V54 H187	F25-V49 WeakPolarHBondContact CE2-O 3.28Å; F25-V49 HydrophobicContact CZ-CB 4.47Å; F46-V49 HydrophobicContact CB-CG2 4.23Å; F46-V49 HydrophobicContact CD1-CB 4.45Å; F46-V49 HydrophobicContact CD1-CG2 4.08Å; H47-V49 VanDerWaalsContact O-CG2 3.28Å; H47-V49 WeakPolarHBondContact O-CG2 3.04Å; H47-V49 PolarHBondContact O-N 3.05Å; H47-V49 VanDerWaalsContact O-N 3.15Å; V49-Y53 HydrophobicContact CG1-CD1 3.19Å; V49-Y53 HydrophobicContact CG1-CE1 3.84Å; V49-Y53 HydrophobicContact CG1-CG 3.94Å; V49-V54 HydrophobicContact CG1-CG2 4.3Å; V49-H187 WeakPolarHBondContact CG2-O 3.41Å
50	D	83.7	Confident	87.3	Confident	101 Å²	101	39.6 Å²	39.6	54%	0.54	22%	0.215	S	C	.	.			trans	-69.3	136.2	173.5	-164.9	-60.2	0	0	0	109.9	S52 Y53 V54	D50-S52 PolarHBondContact O-N 3.06Å; D50-S52 VanDerWaalsContact OD1-CB 3.26Å; D50-S52 WeakPolarHBondContact OD1-CB 3.41Å; D50-S52 PolarHBondContact OD1-N 3.39Å; D50-S52 PolarHBondContact OD1-OG 2.95Å; D50-Y53 VanDerWaalsContact O-CB 3.29Å; D50-Y53 WeakPolarHBondContact O-CB 3.36Å; D50-Y53 PolarHBondContact O-N 3.33Å; D50-Y53 VanDerWaalsContact O-N 3.08Å; D50-V54 PolarHBondContact O-N 3.48Å
51	I	86.8	Confident	87.4	Confident	43 Å²	43	41.7 Å²	41.7	22%	0.221	23%	0.226	C	C	.	.	H	α-helix	trans	-64.4	-28.7	179.5	-163.3	58.2	0	0	0	112.1	P24 F25 Y53 V54 R55 L277	P24-I51 HydrophobicContact CB-CD1 4.19Å; P24-I51 HydrophobicContact CG-CD1 3.66Å; P24-I51 HydrophobicContact CG-CG1 4.39Å; F25-I51 HydrophobicContact CE2-CD1 4.26Å; F25-I51 HydrophobicContact CZ-CD1 3.86Å; I51-Y53 VanDerWaalsContact C-N 3.29Å; I51-Y53 PolarHBondContact O-N 3.28Å; I51-V54 HydrophobicContact CD1-CB 4.38Å; I51-V54 PolarHBondContact O-N 3.18Å; I51-R55 WeakPolarHBondContact O-CG 3.29Å; I51-R55 PolarHBondContact O-N 2.68Å; I51-L277 HydrophobicContact CD1-CD1 4.49Å; I51-L277 HydrophobicContact CD1-CD2 3.79Å; I51-L277 HydrophobicContact CG1-CD2 4.18Å
52	S	86.8	Confident	87.6	Confident	72 Å²	72	40 Å²	40	50%	0.503	21%	0.214	S	C	.	.	H	α-helix	trans	-62.8	-37.2	173.6	62.4	0	0	0	0	111.7	D50 R55 G56	D50-S52 PolarHBondContact O-N 3.06Å; D50-S52 VanDerWaalsContact OD1-CB 3.26Å; D50-S52 WeakPolarHBondContact OD1-CB 3.41Å; D50-S52 PolarHBondContact OD1-N 3.39Å; D50-S52 PolarHBondContact OD1-OG 2.95Å; S52-R55 PolarHBondContact O-N 2.92Å; S52-G56 PolarHBondContact O-N 3.37Å
53	Y	86.8	Confident	87.6	Confident	11 Å²	11	48.9 Å²	48.9	4%	0.043	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-45.8	174.5	169.1	-94.4	0	0	0	111.4	V49 D50 I51 R55 G56 L57 S103 H187 C196	V49-Y53 HydrophobicContact CG1-CD1 3.19Å; V49-Y53 HydrophobicContact CG1-CE1 3.84Å; V49-Y53 HydrophobicContact CG1-CG 3.94Å; D50-Y53 VanDerWaalsContact O-CB 3.29Å; D50-Y53 WeakPolarHBondContact O-CB 3.36Å; D50-Y53 PolarHBondContact O-N 3.33Å; D50-Y53 VanDerWaalsContact O-N 3.08Å; I51-Y53 VanDerWaalsContact C-N 3.29Å; I51-Y53 PolarHBondContact O-N 3.28Å; Y53-R55 VanDerWaalsContact C-N 3.3Å; Y53-R55 PolarHBondContact O-N 2.91Å; Y53-G56 CarbonylContact O-C 3.59Å; Y53-G56 WeakPolarHBondContact O-CA 3.23Å; Y53-G56 PolarHBondContact O-N 3.38Å; Y53-L57 HydrophobicContact CD1-CD1 4.5Å; Y53-L57 HydrophobicContact CE1-CD1 3.84Å; Y53-L57 HydrophobicContact CE1-CD2 4.25Å; Y53-L57 HydrophobicContact CE1-CG 4.1Å; Y53-L57 HydrophobicContact CE2-CD2 4.34Å; Y53-L57 PolarHBondContact O-N 3.13Å; Y53-L57 VanDerWaalsContact O-N 3.1Å; Y53-S103 WeakPolarHBondContact CE2-OG 2.96Å; Y53-H187 AromaticContact CZ-ND1 3.79Å; Y53-H187 PolarHBondContact OH-CE1 3.31Å; Y53-H187 VanDerWaalsContact OH-CE1 3.24Å; Y53-H187 PolarHBondContact OH-ND1 3.01Å; Y53-C196 HydrophobicContact CD2-CB 4.43Å; Y53-C196 HydrophobicContact CE1-CB 4.05Å; Y53-C196 HydrophobicContact CE2-CB 3.59Å; Y53-C196 WeakPolarHBondContact OH-CB 3.49Å; Y53-C196 PolarHBondContact OH-SG 2.71Å
54	V	88.9	Confident	87.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.5	-37	178.4	-175	0	0	0	0	111.7	F25 F46 V49 D50 I51 G56 L57 C58 L260 L277	F25-V54 HydrophobicContact CE1-CG2 4.15Å; F25-V54 HydrophobicContact CZ-CG2 3.81Å; F46-V54 HydrophobicContact CD1-CG2 3.95Å; F46-V54 HydrophobicContact CE1-CG1 4.24Å; F46-V54 HydrophobicContact CE1-CG2 3.76Å; F46-V54 HydrophobicContact CZ-CG1 4.35Å; V49-V54 HydrophobicContact CG1-CG2 4.3Å; D50-V54 PolarHBondContact O-N 3.48Å; I51-V54 HydrophobicContact CD1-CB 4.38Å; I51-V54 PolarHBondContact O-N 3.18Å; V54-G56 VanDerWaalsContact C-N 3.29Å; V54-G56 PolarHBondContact O-N 2.98Å; V54-L57 WeakPolarHBondContact O-CB 3.03Å; V54-L57 PolarHBondContact O-N 3.5Å; V54-L57 VanDerWaalsContact O-N 3.12Å; V54-C58 PolarHBondContact O-N 2.93Å; V54-C58 PolarHBondContact O-SG 2.75Å; V54-L260 HydrophobicContact CG1-CD1 3.75Å; V54-L260 HydrophobicContact CG1-CD2 3.48Å; V54-L260 VanDerWaalsContact CG1-CD2 3.48Å; V54-L260 HydrophobicContact CG1-CG 4.26Å; V54-L277 HydrophobicContact CG1-CD1 3.92Å
55	R	92.3	Very high	87.8	Confident	116 Å²	116	49.2 Å²	49.2	44%	0.438	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-39.4	171	-70.8	-174.6	175.7	117.9	3	111.8	I51 S52 Y53 L57 C58 L277	I51-R55 WeakPolarHBondContact O-CG 3.29Å; I51-R55 PolarHBondContact O-N 2.68Å; S52-R55 PolarHBondContact O-N 2.92Å; Y53-R55 VanDerWaalsContact C-N 3.3Å; Y53-R55 PolarHBondContact O-N 2.91Å; R55-L57 PolarHBondContact O-N 3.36Å; R55-C58 WeakPolarHBondContact O-CA 3.45Å; R55-C58 WeakPolarHBondContact O-CB 3.46Å; R55-C58 PolarHBondContact O-N 3.19Å; R55-L277 HydrophobicContact CG-CD2 4.32Å
56	G	91.9	Very high	88.2	Confident	9 Å²	9	58 Å²	58	9%	0.093	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-26.1	172.9	0	0	0	0	0	113.9	S52 Y53 V54 C58 G105	S52-G56 PolarHBondContact O-N 3.37Å; Y53-G56 CarbonylContact O-C 3.59Å; Y53-G56 WeakPolarHBondContact O-CA 3.23Å; Y53-G56 PolarHBondContact O-N 3.38Å; V54-G56 VanDerWaalsContact C-N 3.29Å; V54-G56 PolarHBondContact O-N 2.98Å; G56-C58 VanDerWaalsContact C-N 3.31Å; G56-G105 WeakPolarHBondContact O-CA 3.28Å; G56-G105 PolarHBondContact O-N 3.42Å
57	L	92.9	Very high	89	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-70.2	-30.3	171.6	-59.8	-178.4	0	0	0	112.4	F46 Y53 V54 R55 G59 Q101 G102 H280 W302	F46-L57 HydrophobicContact CE1-CD1 4.23Å; Y53-L57 HydrophobicContact CD1-CD1 4.5Å; Y53-L57 HydrophobicContact CE1-CD1 3.84Å; Y53-L57 HydrophobicContact CE1-CD2 4.25Å; Y53-L57 HydrophobicContact CE1-CG 4.1Å; Y53-L57 HydrophobicContact CE2-CD2 4.34Å; Y53-L57 PolarHBondContact O-N 3.13Å; Y53-L57 VanDerWaalsContact O-N 3.1Å; V54-L57 WeakPolarHBondContact O-CB 3.03Å; V54-L57 PolarHBondContact O-N 3.5Å; V54-L57 VanDerWaalsContact O-N 3.12Å; R55-L57 PolarHBondContact O-N 3.36Å; L57-G59 PolarHBondContact O-N 3.27Å; L57-Q101 HydrophobicContact CD2-CG 4.44Å; L57-Q101 PolarHBondContact O-NE2 3.5Å; L57-G102 WeakPolarHBondContact CD2-O 3.43Å; L57-H280 PolarHBondContact O-ND1 3.33Å; L57-W302 HydrophobicContact CB-CZ2 4.31Å; L57-W302 HydrophobicContact CD1-CD2 4.42Å
58	C	96.7	Very high	90	Very high	13 Å²	13	59.8 Å²	59.8	9%	0.088	31%	0.311	C	S	.	.			trans	-82.8	61.8	179.2	-54.7	0	0	0	0	111	V54 R55 G56 T60 G279	V54-C58 PolarHBondContact O-N 2.93Å; V54-C58 PolarHBondContact O-SG 2.75Å; R55-C58 WeakPolarHBondContact O-CA 3.45Å; R55-C58 WeakPolarHBondContact O-CB 3.46Å; R55-C58 PolarHBondContact O-N 3.19Å; G56-C58 VanDerWaalsContact C-N 3.31Å; C58-T60 VanDerWaalsContact C-N 3.34Å; C58-T60 PolarHBondContact O-N 3.07Å; C58-G279 CarbonylContact C-O 3.51Å; C58-G279 VanDerWaalsContact CA-O 3.31Å; C58-G279 WeakPolarHBondContact CA-O 3.13Å
59	G	97.5	Very high	91.3	Very high	6 Å²	6	57.1 Å²	57.1	6%	0.062	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-87.2	23.4	-173.3	0	0	0	0	0	115.9	L57 G105 C107 W108 G150 G151	L57-G59 PolarHBondContact O-N 3.27Å; G59-G105 WeakPolarHBondContact CA-O 3.3Å; G59-C107 PolarHBondContact N-SG 3.27Å; G59-C107 VanDerWaalsContact N-SG 3.36Å; G59-W108 VanDerWaalsContact O-CD1 3.23Å; G59-G150 CarbonylContact O-C 3.42Å; G59-G150 WeakPolarHBondContact O-CA 3.39Å; G59-G151 PolarHBondContact O-N 2.78Å
60	T	98.4	Very high	92.2	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.043	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-103.2	126.7	174.7	-60.1	0	0	0	0	110.7	C58 L62 C107 A252 G279 A281	C58-T60 VanDerWaalsContact C-N 3.34Å; C58-T60 PolarHBondContact O-N 3.07Å; T60-L62 HydrophobicContact CG2-CD2 4.23Å; T60-L62 PolarHBondContact O-N 3.28Å; T60-C107 PolarHBondContact OG1-SG 3.05Å; T60-A252 HydrophobicContact CG2-CB 3.84Å; T60-G279 PolarHBondContact N-O 2.03Å; T60-G279 CarbonylContact O-C 3.58Å; T60-G279 WeakPolarHBondContact O-CA 3.37Å; T60-A281 HydrophobicContact CG2-CB 4.26Å; T60-A281 WeakPolarHBondContact OG1-CB 3.37Å; T60-A281 PolarHBondContact OG1-N 2.87Å
61	I	97.9	Very high	92.8	Very high	50 Å²	50	58 Å²	58	26%	0.256	30%	0.302	S	S	.	.			trans	-85.5	99.6	173.5	-53.2	171.5	0	0	0	107.7	M146 G151 Y152	I61-M146 HydrophobicContact CD1-CE 3.84Å; I61-G151 PolarHBondContact N-O 2.95Å; I61-Y152 HydrophobicContact CB-CD1 3.86Å; I61-Y152 HydrophobicContact CB-CE1 3.52Å; I61-Y152 HydrophobicContact CD1-CE1 4.21Å; I61-Y152 HydrophobicContact CD1-CE2 4.22Å; I61-Y152 HydrophobicContact CG1-CE1 4.46Å; I61-Y152 HydrophobicContact CG2-CD1 4.18Å; I61-Y152 HydrophobicContact CG2-CE1 3.38Å; I61-Y152 WeakPolarHBondContact O-CD1 3.1Å
62	L	96	Very high	93.2	Very high	43 Å²	43	57 Å²	57	23%	0.225	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	156.8	178.1	-57	178.4	0	0	0	111.5	T60 G64 A252 M276	T60-L62 HydrophobicContact CG2-CD2 4.23Å; T60-L62 PolarHBondContact O-N 3.28Å; L62-G64 PolarHBondContact O-N 2.92Å; L62-A252 HydrophobicContact CD2-CB 3.61Å; L62-M276 HydrophobicContact CD1-CE 4.15Å
63	K	92.6	Very high	93.6	Very high	192 Å²	192	59.1 Å²	59.1	84%	0.835	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	33.4	178.9	-55	175.8	-178.7	174.4	0	112.6	E326	K63-E326 VanDerWaalsContact N-CD 3.35Å; K63-E326 PolarHBondContact N-OE1 3.04Å; K63-E326 PolarHBondContact N-OE2 3.37Å
64	G	87.4	Confident	93.9	Very high	20 Å²	20	61.4 Å²	61.4	21%	0.206	32%	0.315	C	S	.	.			trans	-69.5	-169.7	173.3	0	0	0	0	0	113.8	L62 R66	L62-G64 PolarHBondContact O-N 2.92Å; G64-R66 PolarHBondContact O-N 2.94Å
65	P	88.8	Confident	94.1	Very high	77 Å²	77	69.4 Å²	69.4	50%	0.5	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-53.1	134.5	174.5	-22.9	33.2	0	0	0	110.9	S154	P65-S154 WeakPolarHBondContact O-CB 3.43Å; P65-S154 PolarHBondContact O-OG 2.87Å
66	R	89.2	Confident	93.9	Very high	189 Å²	189	67.3 Å²	67.3	71%	0.713	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-92.8	141	175.2	-69.2	-168.4	176.7	-167.5	-3.5	110.9	G64	G64-R66 PolarHBondContact O-N 2.94Å
67	L	94.8	Very high	93.9	Very high	12 Å²	12	68.6 Å²	68.6	6%	0.063	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-82.8	162.1	171.3	-58.4	174.7	0	0	0	109.7	E69 W157 E158 S229 S231 V328	L67-E69 PolarHBondContact O-N 2.89Å; L67-W157 HydrophobicContact CD1-CB 4.49Å; L67-E158 HydrophobicContact CD2-CG 3.59Å; L67-S229 WeakPolarHBondContact CD1-OG 3.2Å; L67-S231 PolarHBondContact N-OG 3.49Å; L67-V328 HydrophobicContact CD1-CB 4.18Å; L67-V328 HydrophobicContact CD1-CG1 3.94Å
68	P	95.1	Very high	94	Very high	98 Å²	98	75.9 Å²	75.9	64%	0.636	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-55.2	137.9	167.9	-23.4	34.5	0	0	0	110.8	Y230 S231	P68-Y230 CarbonylContact O-C 2.95Å; P68-Y230 VanDerWaalsContact O-CA 3.23Å; P68-Y230 WeakPolarHBondContact O-CA 3.14Å; P68-Y230 VanDerWaalsContact O-CB 3.25Å; P68-Y230 WeakPolarHBondContact O-CB 3.47Å; P68-S231 PolarHBondContact O-N 2.61Å
69	E	95.4	Very high	94	Very high	111 Å²	111	76.6 Å²	76.6	52%	0.519	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-80	139.7	179.1	-70.6	-179.6	-178.8	0	0	111.8	L67 S231	L67-E69 PolarHBondContact O-N 2.89Å; E69-S231 CarbonylContact C-O 3.57Å; E69-S231 VanDerWaalsContact CA-O 3.32Å; E69-S231 WeakPolarHBondContact CA-O 3.41Å
70	V	95.6	Very high	94	Very high	52 Å²	52	78.6 Å²	78.6	32%	0.315	43%	0.425	S	S	.	.			trans	-108.1	114.4	167.1	168.2	0	0	0	0	108.5	Y230 S231 P233	V70-Y230 HydrophobicContact CB-CD2 3.83Å; V70-Y230 HydrophobicContact CB-CE2 4.39Å; V70-Y230 HydrophobicContact CB-CG 4.06Å; V70-Y230 HydrophobicContact CG2-CD1 3.99Å; V70-Y230 HydrophobicContact CG2-CD2 3.84Å; V70-Y230 HydrophobicContact CG2-CG 3.53Å; V70-S231 PolarHBondContact N-O 2.86Å; V70-P233 VanDerWaalsContact O-CD 3.26Å; V70-P233 WeakPolarHBondContact O-CD 3.47Å
71	V	96.5	Very high	93.9	Very high	96 Å²	96	85.2 Å²	85.2	58%	0.582	46%	0.46	S	S	*	.			trans	-96.5	121.5	174.9	-172	0	0	0	0	108.6	P233	V71-P233 HydrophobicContact CG2-CG 3.89Å
72	H	95.5	Very high	94	Very high	24 Å²	24	86 Å²	86	11%	0.111	47%	0.469	C	S	.	.			trans	-77	142.3	172.1	-58.8	-67	0	0	0	110.9	I74 Q238 T241 E242	H72-I74 HydrophobicContact CB-CG2 4.31Å; H72-I74 PolarHBondContact O-N 2.81Å; H72-Q238 VanDerWaalsContact CB-OE1 3.25Å; H72-Q238 PolarHBondContact CD2-OE1 2.99Å; H72-Q238 PolarHBondContact O-NE2 3.35Å; H72-Q238 VanDerWaalsContact O-NE2 3.07Å; H72-T241 HydrophobicContact CB-CG2 3.66Å; H72-E242 IonicContact CE1-OE2 3.82Å; H72-E242 PolarHBondContact CE1-OE2 2.85Å; H72-E242 WeakPolarHBondContact NE2-CB 3.44Å; H72-E242 IonicContact NE2-OE2 3.78Å; H72-E242 PolarHBondContact NE2-OE2 3.16Å
73	N	94.5	Very high	94.1	Very high	116 Å²	116	84.6 Å²	84.6	62%	0.62	46%	0.461	S	S	*	.			trans	-69	110.6	158.7	-175.2	1.4	0	0	0	108.3	E75 I77	N73-E75 VanDerWaalsContact OD1-CB 3.28Å; N73-E75 WeakPolarHBondContact OD1-CB 3.45Å; N73-E75 PolarHBondContact OD1-N 3.32Å; N73-I77 WeakPolarHBondContact O-CD1 3.49Å
74	I	93.4	Very high	94.4	Very high	59 Å²	59	76.9 Å²	76.9	30%	0.303	43%	0.43	S	S	.	.			trans	-96.3	-3.3	-179.4	58.3	169.9	0	0	0	112.9	H72 G76 I77 Q237	H72-I74 HydrophobicContact CB-CG2 4.31Å; H72-I74 PolarHBondContact O-N 2.81Å; I74-G76 PolarHBondContact O-N 2.94Å; I74-I77 PolarHBondContact O-N 3.36Å; I74-Q237 HydrophobicContact CB-CG 4.13Å; I74-Q237 HydrophobicContact CD1-CB 4.33Å; I74-Q237 HydrophobicContact CD1-CG 3.91Å; I74-Q237 HydrophobicContact CG2-CG 3.97Å
75	E	92.8	Very high	94.9	Very high	167 Å²	167	76 Å²	76	78%	0.78	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	126.3	179.1	-168.4	177.7	-171.6	0	0	110.7	N73 I77	N73-E75 VanDerWaalsContact OD1-CB 3.28Å; N73-E75 WeakPolarHBondContact OD1-CB 3.45Å; N73-E75 PolarHBondContact OD1-N 3.32Å; E75-I77 PolarHBondContact O-N 3.2Å
76	G	88.7	Confident	95.3	Very high	72 Å²	72	75.4 Å²	75.4	74%	0.742	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	5.1	-179.7	0	0	0	0	0	115.3	I74 N78	I74-G76 PolarHBondContact O-N 2.94Å; G76-N78 PolarHBondContact O-N 3Å
77	I	92.5	Very high	95.7	Very high	37 Å²	37	73.8 Å²	73.8	19%	0.19	41%	0.408	C	S	.	.			trans	-81.2	112.7	173.9	-58.7	-169.9	0	0	0	109.5	N73 I74 E75 L79 T241 K245	N73-I77 WeakPolarHBondContact O-CD1 3.49Å; I74-I77 PolarHBondContact O-N 3.36Å; E75-I77 PolarHBondContact O-N 3.2Å; I77-L79 HydrophobicContact CG2-CD2 3.48Å; I77-L79 VanDerWaalsContact CG2-CD2 3.48Å; I77-L79 HydrophobicContact CG2-CG 3.75Å; I77-T241 HydrophobicContact CD1-CG2 3.7Å; I77-K245 VanDerWaalsContact CD1-NZ 3.26Å
78	N	94.3	Very high	95.9	Very high	153 Å²	153	78 Å²	78	82%	0.818	43%	0.428	S	S	*	.			trans	-94.2	100.4	170	-65.5	-33.9	0	0	0	109.2	G76	G76-N78 PolarHBondContact O-N 3Å
79	L	97.1	Very high	96	Very high	27 Å²	27	75.5 Å²	75.5	14%	0.141	41%	0.405	C	S	.	.			trans	-84.4	145.1	174.7	-61.4	179.7	0	0	0	110.1	I77 Q237 M240 Y244 W287	I77-L79 HydrophobicContact CG2-CD2 3.48Å; I77-L79 VanDerWaalsContact CG2-CD2 3.48Å; I77-L79 HydrophobicContact CG2-CG 3.75Å; L79-Q237 VanDerWaalsContact CD1-NE2 3.35Å; L79-M240 HydrophobicContact CB-CE 4.18Å; L79-M240 HydrophobicContact CD1-CB 3.42Å; L79-M240 VanDerWaalsContact CD1-CB 3.42Å; L79-M240 HydrophobicContact CD1-CE 4.04Å; L79-Y244 HydrophobicContact CD2-CD1 3.85Å; L79-Y244 HydrophobicContact CD2-CD2 4.26Å; L79-Y244 HydrophobicContact CD2-CG 3.69Å; L79-W287 HydrophobicContact CB-CZ2 4.17Å
80	P	97.8	Very high	96.1	Very high	49 Å²	49	74.4 Å²	74.4	32%	0.318	41%	0.408	S	S	.	.			trans	-69.1	153.5	175.2	31	-37.1	0	0	0	111.5	S82 F83 Y244 W287	P80-S82 WeakPolarHBondContact CB-O 3.37Å; P80-S82 WeakPolarHBondContact CG-O 3.33Å; P80-S82 PolarHBondContact O-N 3.47Å; P80-F83 HydrophobicContact CG-CB 4.22Å; P80-F83 HydrophobicContact CG-CD2 4.4Å; P80-Y244 HydrophobicContact CG-CE2 4.27Å; P80-W287 HydrophobicContact CG-CZ2 3.96Å; P80-W287 PolarHBondContact O-NE1 3.1Å
81	D	97.2	Very high	96.2	Very high	146 Å²	146	77.8 Å²	77.8	78%	0.781	43%	0.425	S	S	*	.	S	Bend	trans	-61.4	-28.7	177.6	-62.4	-30.4	0	0	0	112.5
82	S	98.4	Very high	96.3	Very high	65 Å²	65	73.3 Å²	73.3	46%	0.455	40%	0.398	S	S	.	.	S	Bend	trans	-136.9	143.8	173.6	-63	0	0	0	0	110.5	P80 W287 G288	P80-S82 WeakPolarHBondContact CB-O 3.37Å; P80-S82 WeakPolarHBondContact CG-O 3.33Å; P80-S82 PolarHBondContact O-N 3.47Å; S82-W287 WeakPolarHBondContact CA-O 3.44Å; S82-G288 VanDerWaalsContact OG-CA 3.3Å; S82-G288 WeakPolarHBondContact OG-CA 3.29Å
83	F	98.6	Very high	96.3	Very high	14 Å²	14	75.8 Å²	75.8	6%	0.061	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-142.2	124.1	-179.7	178.6	-103.8	0	0	0	110.1	P80 P85 Q88 W89 Y244 G286 W287	P80-F83 HydrophobicContact CG-CB 4.22Å; P80-F83 HydrophobicContact CG-CD2 4.4Å; F83-P85 HydrophobicContact CE1-CB 3.98Å; F83-P85 HydrophobicContact CZ-CB 4.24Å; F83-Q88 HydrophobicContact CE2-CB 3.91Å; F83-Q88 HydrophobicContact CE2-CG 4.03Å; F83-Q88 HydrophobicContact CZ-CB 4.19Å; F83-Q88 HydrophobicContact CZ-CG 4.3Å; F83-W89 HydrophobicContact CE1-CZ3 4.15Å; F83-W89 HydrophobicContact CZ-CE3 4.48Å; F83-W89 AromaticContact CZ-CH2 3.72Å; F83-W89 HydrophobicContact CZ-CH2 3.72Å; F83-W89 AromaticContact CZ-CZ3 3.57Å; F83-W89 HydrophobicContact CZ-CZ3 3.57Å; F83-Y244 AromaticContact CD2-CD2 3.79Å; F83-Y244 HydrophobicContact CD2-CD2 3.79Å; F83-Y244 HydrophobicContact CD2-CE2 4.21Å; F83-Y244 AromaticContact CE2-CD2 3.66Å; F83-Y244 HydrophobicContact CE2-CD2 3.66Å; F83-Y244 HydrophobicContact CE2-CE2 4.1Å; F83-Y244 HydrophobicContact CZ-CD2 4.32Å; F83-G286 CarbonylContact O-C 3.42Å; F83-G286 WeakPolarHBondContact O-CA 3.19Å; F83-W287 HydrophobicContact CB-CD2 3.62Å; F83-W287 VanDerWaalsContact CB-CE2 3.42Å; F83-W287 HydrophobicContact CB-CE3 3.65Å; F83-W287 HydrophobicContact CB-CG 4.45Å; F83-W287 HydrophobicContact CB-CH2 3.32Å; F83-W287 HydrophobicContact CB-CZ2 3.31Å; F83-W287 HydrophobicContact CB-CZ3 3.49Å; F83-W287 VanDerWaalsContact CB-CZ3 3.49Å; F83-W287 AromaticContact CD1-CE3 3.81Å; F83-W287 HydrophobicContact CD1-CE3 3.81Å; F83-W287 AromaticContact CD1-CH2 3.74Å; F83-W287 HydrophobicContact CD1-CH2 3.74Å; F83-W287 AromaticContact CD1-CZ3 3.28Å; F83-W287 HydrophobicContact CD1-CZ3 3.28Å; F83-W287 HydrophobicContact CD2-CH2 4.16Å; F83-W287 HydrophobicContact CE1-CZ3 4.12Å; F83-W287 HydrophobicContact CG-CE3 4.09Å; F83-W287 AromaticContact CG-CH2 3.49Å; F83-W287 HydrophobicContact CG-CH2 3.49Å; F83-W287 VanDerWaalsContact CG-CH2 3.49Å; F83-W287 HydrophobicContact CG-CZ2 4Å; F83-W287 AromaticContact CG-CZ3 3.54Å; F83-W287 HydrophobicContact CG-CZ3 3.54Å; F83-W287 PolarHBondContact N-O 3.48Å; F83-W287 PolarHBondContact O-N 2.9Å
84	D	98.4	Very high	96.5	Very high	31 Å²	31	70.8 Å²	70.8	17%	0.166	39%	0.389	C	S	.	.			trans	-123	112.3	171.6	-172.7	-25.5	0	0	0	108.3	R86 Q87 Q88	D84-R86 PolarHBondContact O-N 3.24Å; D84-R86 VanDerWaalsContact O-N 3.11Å; D84-R86 VanDerWaalsContact OD1-CB 3.23Å; D84-R86 WeakPolarHBondContact OD1-CB 3.29Å; D84-R86 WeakPolarHBondContact OD1-CG 3.37Å; D84-R86 IonicContact OD1-CZ 3.31Å; D84-R86 PolarHBondContact OD1-N 3.02Å; D84-R86 IonicContact OD1-NE 3.14Å; D84-R86 PolarHBondContact OD1-NE 3.18Å; D84-R86 IonicContact OD1-NH2 2.67Å; D84-R86 IonicContact OD2-CZ 2.65Å; D84-R86 VanDerWaalsContact OD2-CZ 3.31Å; D84-R86 IonicContact OD2-NE 3.76Å; D84-R86 PolarHBondContact OD2-NE 3.25Å; D84-R86 VanDerWaalsContact OD2-NE 3.14Å; D84-R86 IonicContact OD2-NH2 3.73Å; D84-R86 PolarHBondContact OD2-NH2 2.99Å; D84-Q87 HydrophobicContact CB-CG 4.16Å; D84-Q87 WeakPolarHBondContact O-CB 3.22Å; D84-Q87 PolarHBondContact O-N 3.18Å; D84-Q88 PolarHBondContact O-N 2.96Å
85	P	98.1	Very high	96.7	Very high	0 Å²	0	68 Å²	68	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-64.7	-21.1	-174.6	30.2	-38.6	0	0	0	112.1	F83 Q87 Q88 W89 L95 L285	F83-P85 HydrophobicContact CE1-CB 3.98Å; F83-P85 HydrophobicContact CZ-CB 4.24Å; P85-Q87 PolarHBondContact O-N 3.06Å; P85-Q88 PolarHBondContact O-N 3.15Å; P85-W89 HydrophobicContact CB-CE3 3.53Å; P85-W89 HydrophobicContact CB-CZ3 3.54Å; P85-W89 PolarHBondContact O-N 2.96Å; P85-L95 HydrophobicContact CB-CD1 4.29Å; P85-L95 HydrophobicContact CB-CD2 4.08Å; P85-L95 HydrophobicContact CG-CD2 4.08Å; P85-L95 WeakPolarHBondContact O-CD1 3.5Å; P85-L285 WeakPolarHBondContact CD-O 3.42Å; P85-L285 HydrophobicContact CG-CB 3.78Å; P85-L285 HydrophobicContact CG-CD1 3.9Å; P85-L285 HydrophobicContact CG-CG 4.2Å; P85-L285 WeakPolarHBondContact CG-O 3.33Å
86	R	97.9	Very high	96.8	Very high	65 Å²	65	64.4 Å²	64.4	25%	0.245	36%	0.361	C	S	.	.	H	α-helix	trans	-65.5	-27.1	176.2	-59	170.4	-66.4	-174.4	4.7	111.7	D84 P90 L95 N96	D84-R86 PolarHBondContact O-N 3.24Å; D84-R86 VanDerWaalsContact O-N 3.11Å; D84-R86 VanDerWaalsContact OD1-CB 3.23Å; D84-R86 WeakPolarHBondContact OD1-CB 3.29Å; D84-R86 WeakPolarHBondContact OD1-CG 3.37Å; D84-R86 IonicContact OD1-CZ 3.31Å; D84-R86 PolarHBondContact OD1-N 3.02Å; D84-R86 IonicContact OD1-NE 3.14Å; D84-R86 PolarHBondContact OD1-NE 3.18Å; D84-R86 IonicContact OD1-NH2 2.67Å; D84-R86 IonicContact OD2-CZ 2.65Å; D84-R86 VanDerWaalsContact OD2-CZ 3.31Å; D84-R86 IonicContact OD2-NE 3.76Å; D84-R86 PolarHBondContact OD2-NE 3.25Å; D84-R86 VanDerWaalsContact OD2-NE 3.14Å; D84-R86 IonicContact OD2-NH2 3.73Å; D84-R86 PolarHBondContact OD2-NH2 2.99Å; R86-P90 WeakPolarHBondContact O-CA 3.39Å; R86-L95 HydrophobicContact CG-CB 3.78Å; R86-N96 VanDerWaalsContact CD-OD1 3.29Å; R86-N96 WeakPolarHBondContact CD-OD1 3.18Å
87	Q	97.9	Very high	97.2	Very high	156 Å²	156	62.8 Å²	62.8	73%	0.729	33%	0.334	S	S	*	.	H	α-helix	trans	-84.5	-35.4	174.4	-57.9	-180	15.3	0	0	111.7	D84 P85	D84-Q87 HydrophobicContact CB-CG 4.16Å; D84-Q87 WeakPolarHBondContact O-CB 3.22Å; D84-Q87 PolarHBondContact O-N 3.18Å; P85-Q87 PolarHBondContact O-N 3.06Å
88	Q	97.7	Very high	97.4	Very high	100 Å²	100	62.1 Å²	62.1	47%	0.467	33%	0.331	S	S	.	.	H	α-helix	trans	-72.1	-40	179.1	-179.2	61.6	22.9	0	0	112.5	F83 D84 P85 P90	F83-Q88 HydrophobicContact CE2-CB 3.91Å; F83-Q88 HydrophobicContact CE2-CG 4.03Å; F83-Q88 HydrophobicContact CZ-CB 4.19Å; F83-Q88 HydrophobicContact CZ-CG 4.3Å; D84-Q88 PolarHBondContact O-N 2.96Å; P85-Q88 PolarHBondContact O-N 3.15Å; Q88-P90 VanDerWaalsContact C-CD 3.42Å; Q88-P90 WeakPolarHBondContact O-CD 3.24Å
89	W	98.2	Very high	97.6	Very high	45 Å²	45	55 Å²	55	17%	0.17	29%	0.293	C	S	.	.			trans	-125.2	65.1	-178	-58.2	-70.3	0	0	0	110.9	F83 P85 N91 C92 L95 I122 L243	F83-W89 HydrophobicContact CE1-CZ3 4.15Å; F83-W89 HydrophobicContact CZ-CE3 4.48Å; F83-W89 AromaticContact CZ-CH2 3.72Å; F83-W89 HydrophobicContact CZ-CH2 3.72Å; F83-W89 AromaticContact CZ-CZ3 3.57Å; F83-W89 HydrophobicContact CZ-CZ3 3.57Å; P85-W89 HydrophobicContact CB-CE3 3.53Å; P85-W89 HydrophobicContact CB-CZ3 3.54Å; P85-W89 PolarHBondContact O-N 2.96Å; W89-N91 PolarHBondContact O-N 3.48Å; W89-N91 VanDerWaalsContact O-N 3.11Å; W89-C92 HydrophobicContact CB-CB 4.31Å; W89-C92 WeakPolarHBondContact O-CB 3.49Å; W89-C92 PolarHBondContact O-N 3.32Å; W89-L95 HydrophobicContact CB-CD1 3.95Å; W89-I122 HydrophobicContact CB-CG1 4.15Å; W89-I122 HydrophobicContact CD2-CB 4.5Å; W89-I122 HydrophobicContact CD2-CD1 3.85Å; W89-I122 HydrophobicContact CD2-CG1 3.73Å; W89-I122 HydrophobicContact CD2-CG2 4.03Å; W89-I122 HydrophobicContact CE3-CD1 3.53Å; W89-I122 HydrophobicContact CE3-CG1 3.95Å; W89-I122 HydrophobicContact CG-CD1 4.41Å; W89-I122 HydrophobicContact CG-CG1 3.82Å; W89-I122 HydrophobicContact CG-CG2 4.39Å; W89-I122 HydrophobicContact CH2-CD1 4.4Å; W89-I122 HydrophobicContact CH2-CG2 4.44Å; W89-I122 HydrophobicContact CZ2-CG2 3.85Å; W89-I122 HydrophobicContact CZ3-CD1 3.82Å; W89-L243 WeakPolarHBondContact CH2-O 3.46Å
90	P	97.3	Very high	97.6	Very high	89 Å²	89	54.3 Å²	54.3	58%	0.578	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.2	-175	28.3	-36.2	0	0	0	113.2	R86 Q88 C92	R86-P90 WeakPolarHBondContact O-CA 3.39Å; Q88-P90 VanDerWaalsContact C-CD 3.42Å; Q88-P90 WeakPolarHBondContact O-CD 3.24Å; P90-C92 PolarHBondContact O-N 3.15Å
91	N	97.2	Very high	97.5	Very high	123 Å²	123	52 Å²	52	66%	0.658	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	1.9	175.7	-61.6	-30.4	0	0	0	113.2	W89 P93	W89-N91 PolarHBondContact O-N 3.48Å; W89-N91 VanDerWaalsContact O-N 3.11Å; N91-P93 VanDerWaalsContact O-CD 3.25Å; N91-P93 WeakPolarHBondContact O-CD 3.31Å
92	C	98.3	Very high	97.3	Very high	2 Å²	2	45 Å²	45	1%	0.014	24%	0.237	C	C	.	.			trans	-107.4	88.8	177.3	-68.1	0	0	0	0	111.2	W89 P90 T94 L95 C121	W89-C92 HydrophobicContact CB-CB 4.31Å; W89-C92 WeakPolarHBondContact O-CB 3.49Å; W89-C92 PolarHBondContact O-N 3.32Å; P90-C92 PolarHBondContact O-N 3.15Å; C92-T94 PolarHBondContact O-N 2.96Å; C92-L95 HydrophobicContact CB-CD1 3.74Å; C92-L95 HydrophobicContact CB-CG 4.15Å; C92-L95 WeakPolarHBondContact O-CB 3.46Å; C92-L95 PolarHBondContact O-N 2.88Å; C92-C121 WeakPolarHBondContact CA-SG 3.35Å; C92-C121 HydrophobicContact CB-CB 3.76Å; C92-C121 WeakPolarHBondContact CB-SG 3.43Å; C92-C121 WeakPolarHBondContact SG-CB 3.45Å; C92-C121 CovalentContact SG-SG 2.03Å; C92-C121 PolarHBondContact SG-SG 2.9Å
93	P	96.9	Very high	97.1	Very high	76 Å²	76	42.5 Å²	42.5	49%	0.494	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-66.1	-24.9	-173.3	26.8	-35.3	0	0	0	113.3	N91 L95 N96 T129	N91-P93 VanDerWaalsContact O-CD 3.25Å; N91-P93 WeakPolarHBondContact O-CD 3.31Å; P93-L95 PolarHBondContact O-N 2.99Å; P93-N96 PolarHBondContact O-N 2.82Å; P93-T129 HydrophobicContact CG-CG2 4.29Å
94	T	97.1	Very high	96.9	Very high	11 Å²	11	41.8 Å²	41.8	7%	0.067	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-59.8	-25.5	178.3	55.6	0	0	0	0	112.7	C92 N96 Q97 D118	C92-T94 PolarHBondContact O-N 2.96Å; T94-N96 PolarHBondContact O-N 2.03Å; T94-Q97 WeakPolarHBondContact O-CB 3.41Å; T94-Q97 PolarHBondContact O-N 3.25Å; T94-D118 WeakPolarHBondContact CB-OD1 3.4Å; T94-D118 PolarHBondContact OG1-OD1 3.35Å
95	L	97.9	Very high	96.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-63.7	-21.8	175.6	-68.6	167.6	0	0	0	113.2	P85 R86 W89 C92 P93 D118 I122 P248	P85-L95 HydrophobicContact CB-CD1 4.29Å; P85-L95 HydrophobicContact CB-CD2 4.08Å; P85-L95 HydrophobicContact CG-CD2 4.08Å; P85-L95 WeakPolarHBondContact O-CD1 3.5Å; R86-L95 HydrophobicContact CG-CB 3.78Å; W89-L95 HydrophobicContact CB-CD1 3.95Å; C92-L95 HydrophobicContact CB-CD1 3.74Å; C92-L95 HydrophobicContact CB-CG 4.15Å; C92-L95 WeakPolarHBondContact O-CB 3.46Å; C92-L95 PolarHBondContact O-N 2.88Å; P93-L95 PolarHBondContact O-N 2.99Å; L95-D118 HydrophobicContact CD2-CB 3.84Å; L95-D118 HydrophobicContact CG-CB 4.48Å; L95-D118 PolarHBondContact N-OD1 2.89Å; L95-I122 HydrophobicContact CD2-CD1 4.39Å; L95-P248 HydrophobicContact CD2-CG 3.5Å
96	N	96.3	Very high	96.9	Very high	92 Å²	92	40.3 Å²	40.3	49%	0.492	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-95.7	-7.5	177.8	-62.8	-79.6	0	0	0	112.7	R86 P93 T94	R86-N96 VanDerWaalsContact CD-OD1 3.29Å; R86-N96 WeakPolarHBondContact CD-OD1 3.18Å; P93-N96 PolarHBondContact O-N 2.82Å; T94-N96 PolarHBondContact O-N 2.03Å
97	Q	96.1	Very high	96.9	Very high	37 Å²	37	37.2 Å²	37.2	17%	0.173	20%	0.196	C	C	.	.			trans	-79.6	127.7	-175.8	-168.7	-178.9	13.2	0	0	110.1	T94 R99 E131	T94-Q97 WeakPolarHBondContact O-CB 3.41Å; T94-Q97 PolarHBondContact O-N 3.25Å; Q97-R99 HydrophobicContact CG-CG 4.23Å; Q97-E131 PolarHBondContact NE2-OE2 3.44Å; Q97-E131 PolarHBondContact OE1-OE2 2.75Å
98	I	97.6	Very high	97	Very high	23 Å²	23	29.9 Å²	29.9	12%	0.118	16%	0.162	C	C	.	.			trans	-104	135.8	163.2	-66.8	-59.2	0	0	0	107.7	A299 N303 N304 K309 F311	I98-A299 HydrophobicContact CD1-CB 3.66Å; I98-N303 VanDerWaalsContact CG2-C 3.5Å; I98-N303 WeakPolarHBondContact CG2-O 3.25Å; I98-N304 HydrophobicContact CG2-CB 4.38Å; I98-K309 WeakPolarHBondContact CG1-O 3.12Å; I98-F311 HydrophobicContact CD1-CD1 4.1Å; I98-F311 HydrophobicContact CD1-CD2 3.95Å; I98-F311 HydrophobicContact CD1-CE1 3.79Å; I98-F311 HydrophobicContact CD1-CE2 3.62Å; I98-F311 HydrophobicContact CD1-CG 4.18Å; I98-F311 HydrophobicContact CD1-CZ 3.53Å; I98-F311 HydrophobicContact CG1-CD2 4.11Å; I98-F311 HydrophobicContact CG1-CE2 3.59Å; I98-F311 HydrophobicContact CG1-CZ 3.88Å
99	R	97.5	Very high	97	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.019	14%	0.139	C	C	.	.			trans	-111.3	175.3	178.1	-53.2	-169.5	165.8	-172.5	-4.4	111.9	Q97 F110 E114 E131 I132 L170 S301 N303	Q97-R99 HydrophobicContact CG-CG 4.23Å; R99-F110 HydrophobicContact CB-CD1 3.72Å; R99-F110 HydrophobicContact CB-CE1 3.64Å; R99-E114 WeakPolarHBondContact CB-OE1 3.35Å; R99-E114 HydrophobicContact CG-CG 4.25Å; R99-E114 WeakPolarHBondContact CG-OE1 3.44Å; R99-E131 IonicContact CZ-OE2 3.24Å; R99-E131 VanDerWaalsContact NH2-CG 3.34Å; R99-E131 IonicContact NH2-OE2 3.84Å; R99-E131 PolarHBondContact NH2-OE2 3.26Å; R99-E131 VanDerWaalsContact NH2-OE2 3.11Å; R99-I132 PolarHBondContact NH1-O 3.43Å; R99-L170 HydrophobicContact CB-CD2 3.66Å; R99-L170 HydrophobicContact CG-CD2 3.81Å; R99-S301 CarbonylContact O-C 3.4Å; R99-N303 PolarHBondContact O-N 3.34Å; R99-N303 VanDerWaalsContact O-N 3.11Å
100	D	96.6	Very high	97.1	Very high	12 Å²	12	23 Å²	23	6%	0.064	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-133.1	119.9	-178.5	-171.3	-9.8	0	0	0	109.5	G102 F110 A184 C185 H187 S301 N303	D100-G102 PolarHBondContact OD1-N 3.32Å; D100-F110 WeakPolarHBondContact O-CE1 3.32Å; D100-F110 WeakPolarHBondContact O-CZ 3.28Å; D100-A184 HydrophobicContact CB-CB 4.12Å; D100-A184 VanDerWaalsContact OD2-CA 3.28Å; D100-A184 WeakPolarHBondContact OD2-CA 3.5Å; D100-A184 WeakPolarHBondContact OD2-CB 3.34Å; D100-C185 PolarHBondContact OD2-N 2.7Å; D100-H187 IonicContact OD1-CD2 2.98Å; D100-H187 IonicContact OD1-CE1 3.12Å; D100-H187 IonicContact OD1-NE2 3.89Å; D100-H187 PolarHBondContact OD1-NE2 2.92Å; D100-H187 IonicContact OD2-NE2 2.75Å; D100-S301 WeakPolarHBondContact CA-O 3.23Å; D100-N303 HydrophobicContact CB-CB 4.01Å
101	Q	96.4	Very high	97.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.			trans	-78.4	-6.2	176.3	73.6	-173.9	76.1	0	0	113.4	L57 C104 F110 Y180 H280 S301	L57-Q101 HydrophobicContact CD2-CG 4.44Å; L57-Q101 PolarHBondContact O-NE2 3.5Å; Q101-C104 WeakPolarHBondContact CG-O 3.34Å; Q101-C104 PolarHBondContact NE2-O 3.19Å; Q101-F110 HydrophobicContact CB-CD2 4.09Å; Q101-F110 HydrophobicContact CB-CE2 3.93Å; Q101-F110 HydrophobicContact CB-CG 4.45Å; Q101-F110 HydrophobicContact CB-CZ 4.15Å; Q101-Y180 PolarHBondContact O-OH 3.49Å; Q101-H280 PolarHBondContact OE1-CE1 2.98Å; Q101-S301 WeakPolarHBondContact CG-O 2.99Å; Q101-S301 PolarHBondContact N-O 3.24Å; Q101-S301 PolarHBondContact OE1-OG 2.96Å
102	G	93.9	Very high	97.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.			trans	57.3	-152.5	-175	0	0	0	0	0	112.4	L57 D100 C104 H187	L57-G102 WeakPolarHBondContact CD2-O 3.43Å; D100-G102 PolarHBondContact OD1-N 3.32Å; G102-C104 PolarHBondContact O-N 2.99Å; G102-H187 PolarHBondContact O-CE1 2.98Å; G102-H187 VanDerWaalsContact O-CE1 3.31Å
103	S	92.7	Very high	97.2	Very high	11 Å²	11	13 Å²	13	8%	0.077	7%	0.073	C	C	.	.	S	Bend	trans	-79.9	45.3	178.3	-62	0	0	0	0	113.7	Y53 Q197 G198 T200	Y53-S103 WeakPolarHBondContact CE2-OG 2.96Å; S103-Q197 VanDerWaalsContact CB-O 3.25Å; S103-Q197 WeakPolarHBondContact CB-O 3.31Å; S103-Q197 PolarHBondContact OG-O 2.78Å; S103-G198 WeakPolarHBondContact CB-O 3.5Å; S103-T200 WeakPolarHBondContact CB-OG1 3.48Å; S103-T200 WeakPolarHBondContact O-CB 3.39Å; S103-T200 PolarHBondContact O-N 3.19Å; S103-T200 PolarHBondContact O-OG1 3.44Å
104	C	95.8	Very high	97.3	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.	S	Bend	trans	-139.5	134.7	-175	170.2	0	0	0	0	110	Q101 G102 S106 C148 I182	Q101-C104 WeakPolarHBondContact CG-O 3.34Å; Q101-C104 PolarHBondContact NE2-O 3.19Å; G102-C104 PolarHBondContact O-N 2.99Å; C104-S106 PolarHBondContact O-N 3.06Å; C104-S106 VanDerWaalsContact SG-CB 3.53Å; C104-S106 PolarHBondContact SG-OG 2.89Å; C104-C148 HydrophobicContact CB-CB 3.85Å; C104-C148 WeakPolarHBondContact CB-SG 3.36Å; C104-C148 WeakPolarHBondContact SG-CA 3.04Å; C104-C148 WeakPolarHBondContact SG-CB 3.08Å; C104-C148 CovalentContact SG-SG 2.04Å; C104-C148 PolarHBondContact SG-SG 2.8Å; C104-I182 HydrophobicContact CB-CD1 3.7Å
105	G	97.3	Very high	97.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.			trans	-73.5	46	174.6	0	0	0	0	0	113.6	G56 G59 W108 C148	G56-G105 WeakPolarHBondContact O-CA 3.28Å; G56-G105 PolarHBondContact O-N 3.42Å; G59-G105 WeakPolarHBondContact CA-O 3.3Å; G105-W108 VanDerWaalsContact O-CD1 3.22Å; G105-W108 PolarHBondContact O-NE1 3.4Å; G105-C148 WeakPolarHBondContact CA-O 3.34Å; G105-C148 PolarHBondContact N-O 3.05Å
106	S	98.4	Very high	97.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.			trans	-91.4	14.3	-179.2	55.7	0	0	0	0	114.2	C104 W108 A109 F110 Y180	C104-S106 PolarHBondContact O-N 3.06Å; C104-S106 VanDerWaalsContact SG-CB 3.53Å; C104-S106 PolarHBondContact SG-OG 2.89Å; S106-W108 PolarHBondContact O-N 3.27Å; S106-W108 VanDerWaalsContact O-N 3.16Å; S106-A109 WeakPolarHBondContact O-CA 3.29Å; S106-A109 WeakPolarHBondContact O-CB 3.31Å; S106-A109 PolarHBondContact O-N 2.96Å; S106-F110 WeakPolarHBondContact O-CD2 3.31Å; S106-F110 PolarHBondContact O-N 2.86Å; S106-F110 VanDerWaalsContact OG-CE2 3.29Å; S106-F110 WeakPolarHBondContact OG-CE2 3.39Å; S106-Y180 PolarHBondContact OG-OH 3.27Å
107	C	98.6	Very high	97.6	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-51.1	-38.9	179.8	56.3	0	0	0	0	113.5	G59 T60 A109 F110 G111 H280	G59-C107 PolarHBondContact N-SG 3.27Å; G59-C107 VanDerWaalsContact N-SG 3.36Å; T60-C107 PolarHBondContact OG1-SG 3.05Å; C107-A109 PolarHBondContact O-N 2.8Å; C107-F110 PolarHBondContact O-N 2.84Å; C107-G111 PolarHBondContact O-N 2.76Å; C107-H280 WeakPolarHBondContact CB-CE1 3.41Å; C107-H280 VanDerWaalsContact CB-ND1 3.28Å; C107-H280 WeakPolarHBondContact CB-ND1 3.12Å; C107-H280 PolarHBondContact SG-ND1 3.46Å; C107-H280 VanDerWaalsContact SG-ND1 3.43Å
108	W	98.8	Very high	97.7	Very high	1 Å²	1	3 Å²	3	0%	0.004	2%	0.016	C	C	.	.	H	α-helix	trans	-59.1	-28.2	174.4	66.3	-90.7	0	0	0	113.6	G59 G105 S106 L137 L138 C144 G147 A156	G59-W108 VanDerWaalsContact O-CD1 3.23Å; G105-W108 VanDerWaalsContact O-CD1 3.22Å; G105-W108 PolarHBondContact O-NE1 3.4Å; S106-W108 PolarHBondContact O-N 3.27Å; S106-W108 VanDerWaalsContact O-N 3.16Å; W108-L137 HydrophobicContact CH2-CG 4.34Å; W108-L137 HydrophobicContact CZ3-CD1 4.16Å; W108-L137 HydrophobicContact CZ3-CD2 4.31Å; W108-L137 HydrophobicContact CZ3-CG 3.91Å; W108-L138 HydrophobicContact CZ2-CD1 4.04Å; W108-C144 HydrophobicContact CE3-CB 4.15Å; W108-C144 HydrophobicContact CH2-CB 3.41Å; W108-C144 VanDerWaalsContact CH2-CB 3.41Å; W108-C144 HydrophobicContact CZ2-CB 4.33Å; W108-C144 HydrophobicContact CZ3-CB 3.31Å; W108-G147 PolarHBondContact NE1-O 2.91Å; W108-A156 HydrophobicContact CE3-CB 3.93Å; W108-A156 HydrophobicContact CZ3-CB 4.02Å
109	A	98.8	Very high	97.7	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-85.2	-36.9	174	0	0	0	0	0	111	S106 C107 V113 L137	S106-A109 WeakPolarHBondContact O-CA 3.29Å; S106-A109 WeakPolarHBondContact O-CB 3.31Å; S106-A109 PolarHBondContact O-N 2.96Å; C107-A109 PolarHBondContact O-N 2.8Å; A109-V113 WeakPolarHBondContact O-CG1 3.25Å; A109-V113 WeakPolarHBondContact O-CG2 3.41Å; A109-V113 PolarHBondContact O-N 2.75Å; A109-L137 HydrophobicContact CB-CB 4.37Å; A109-L137 HydrophobicContact CB-CD2 3.7Å; A109-L137 HydrophobicContact CB-CG 3.93Å
110	F	98.9	Very high	97.7	Very high	2 Å²	2	2.3 Å²	2.3	1%	0.009	1%	0.013	C	C	.	.	H	α-helix	trans	-67.7	-50.4	-178.9	-86.1	-109	0	0	0	112.3	R99 D100 Q101 S106 C107 A112 V113 E114 A134 Y180	R99-F110 HydrophobicContact CB-CD1 3.72Å; R99-F110 HydrophobicContact CB-CE1 3.64Å; D100-F110 WeakPolarHBondContact O-CE1 3.32Å; D100-F110 WeakPolarHBondContact O-CZ 3.28Å; Q101-F110 HydrophobicContact CB-CD2 4.09Å; Q101-F110 HydrophobicContact CB-CE2 3.93Å; Q101-F110 HydrophobicContact CB-CG 4.45Å; Q101-F110 HydrophobicContact CB-CZ 4.15Å; S106-F110 WeakPolarHBondContact O-CD2 3.31Å; S106-F110 PolarHBondContact O-N 2.86Å; S106-F110 VanDerWaalsContact OG-CE2 3.29Å; S106-F110 WeakPolarHBondContact OG-CE2 3.39Å; C107-F110 PolarHBondContact O-N 2.84Å; F110-A112 PolarHBondContact O-N 3.01Å; F110-V113 PolarHBondContact O-N 2.86Å; F110-E114 VanDerWaalsContact O-CB 3.3Å; F110-E114 WeakPolarHBondContact O-CB 3.28Å; F110-E114 WeakPolarHBondContact O-CG 3.33Å; F110-E114 PolarHBondContact O-N 3.2Å; F110-A134 HydrophobicContact CD2-CB 3.9Å; F110-A134 HydrophobicContact CE1-CB 4.42Å; F110-A134 HydrophobicContact CE2-CB 3.63Å; F110-A134 HydrophobicContact CG-CB 4.43Å; F110-A134 HydrophobicContact CZ-CB 3.92Å; F110-Y180 HydrophobicContact CE2-CD2 4.24Å; F110-Y180 HydrophobicContact CE2-CE1 4.1Å; F110-Y180 AromaticContact CE2-CE2 3.65Å; F110-Y180 HydrophobicContact CE2-CE2 3.65Å; F110-Y180 AromaticContact CE2-CZ 3.58Å; F110-Y180 AromaticContact CZ-CD1 3.96Å; F110-Y180 HydrophobicContact CZ-CD1 3.96Å; F110-Y180 HydrophobicContact CZ-CD2 4.09Å; F110-Y180 AromaticContact CZ-CE1 3.71Å; F110-Y180 HydrophobicContact CZ-CE1 3.71Å; F110-Y180 AromaticContact CZ-CE2 3.86Å; F110-Y180 HydrophobicContact CZ-CE2 3.86Å; F110-Y180 HydrophobicContact CZ-CG 4.14Å; F110-Y180 AromaticContact CZ-CZ 3.68Å
111	G	98.8	Very high	97.8	Very high	2 Å²	2	1.8 Å²	1.8	2%	0.021	1%	0.01	C	C	.	.	H	α-helix	trans	-53.2	-44.6	176	0	0	0	0	0	111.7	C107 A115	C107-G111 PolarHBondContact O-N 2.76Å; G111-A115 WeakPolarHBondContact O-CB 3.29Å; G111-A115 PolarHBondContact O-N 2.73Å
112	A	98.8	Very high	97.9	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-60.6	-60.6	174.9	0	0	0	0	0	112.6	F110 E114 A115 I116 L137 A156 E250	F110-A112 PolarHBondContact O-N 3.01Å; A112-E114 VanDerWaalsContact C-N 3.3Å; A112-E114 PolarHBondContact O-N 2.82Å; A112-A115 PolarHBondContact O-N 3.05Å; A112-I116 WeakPolarHBondContact O-CB 3.48Å; A112-I116 WeakPolarHBondContact O-CD1 3.36Å; A112-I116 WeakPolarHBondContact O-CG1 3.41Å; A112-I116 PolarHBondContact O-N 3.02Å; A112-L137 HydrophobicContact CB-CD2 4.06Å; A112-A156 HydrophobicContact CB-CB 3.83Å; A112-E250 WeakPolarHBondContact CA-OE2 3.25Å; A112-E250 WeakPolarHBondContact CB-OE2 3.36Å; A112-E250 VanDerWaalsContact N-CD 3.27Å; A112-E250 PolarHBondContact N-OE1 3.21Å; A112-E250 PolarHBondContact N-OE2 3.36Å
113	V	98.9	Very high	98	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-69.3	-27.9	-171.6	-58.3	0	0	0	0	113.2	A109 F110 S117 I132 A134 L137 L165	A109-V113 WeakPolarHBondContact O-CG1 3.25Å; A109-V113 WeakPolarHBondContact O-CG2 3.41Å; A109-V113 PolarHBondContact O-N 2.75Å; F110-V113 PolarHBondContact O-N 2.86Å; V113-S117 VanDerWaalsContact O-CB 3.31Å; V113-S117 WeakPolarHBondContact O-CB 3.38Å; V113-S117 PolarHBondContact O-N 3.43Å; V113-S117 PolarHBondContact O-OG 2.72Å; V113-I132 HydrophobicContact CB-CB 4.02Å; V113-I132 HydrophobicContact CB-CG2 3.88Å; V113-I132 HydrophobicContact CG1-CB 4.45Å; V113-I132 HydrophobicContact CG1-CG2 3.76Å; V113-A134 HydrophobicContact CG2-CB 3.83Å; V113-L137 HydrophobicContact CG1-CB 4.24Å; V113-L137 HydrophobicContact CG1-CD2 3.76Å; V113-L165 HydrophobicContact CG1-CD1 3.97Å
114	E	98.9	Very high	98.1	Very high	5 Å²	5	6.3 Å²	6.3	2%	0.023	3%	0.034	C	C	.	.	H	α-helix	trans	-66.9	-48.7	173.6	-71.3	178.9	-169.3	0	0	110.9	R99 F110 A112 I116 S117 D118 K283	R99-E114 WeakPolarHBondContact CB-OE1 3.35Å; R99-E114 HydrophobicContact CG-CG 4.25Å; R99-E114 WeakPolarHBondContact CG-OE1 3.44Å; F110-E114 VanDerWaalsContact O-CB 3.3Å; F110-E114 WeakPolarHBondContact O-CB 3.28Å; F110-E114 WeakPolarHBondContact O-CG 3.33Å; F110-E114 PolarHBondContact O-N 3.2Å; A112-E114 VanDerWaalsContact C-N 3.3Å; A112-E114 PolarHBondContact O-N 2.82Å; E114-I116 PolarHBondContact O-N 3.47Å; E114-S117 PolarHBondContact O-N 3.27Å; E114-D118 PolarHBondContact O-N 2.89Å; E114-K283 HydrophobicContact CB-CD 3.83Å; E114-K283 IonicContact OE2-NZ 3.2Å
115	A	98.8	Very high	98.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-64.5	-39.5	176.6	0	0	0	0	0	111.8	G111 A112 D118 R119 W157 K283	G111-A115 WeakPolarHBondContact O-CB 3.29Å; G111-A115 PolarHBondContact O-N 2.73Å; A112-A115 PolarHBondContact O-N 3.05Å; A115-D118 PolarHBondContact O-N 2.81Å; A115-R119 WeakPolarHBondContact O-CB 3.21Å; A115-R119 VanDerWaalsContact O-CG 3.23Å; A115-R119 WeakPolarHBondContact O-CG 3.31Å; A115-R119 PolarHBondContact O-N 2.96Å; A115-W157 HydrophobicContact CB-CH2 3.91Å; A115-W157 HydrophobicContact CB-CZ2 3.75Å; A115-K283 HydrophobicContact CB-CD 4.45Å; A115-K283 HydrophobicContact CB-CG 4.45Å
116	I	98.6	Very high	98.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.8	-45	175.1	-67.1	163.8	0	0	0	110.8	A112 E114 D118 R119 L120 I132 W157 W160 L165	A112-I116 WeakPolarHBondContact O-CB 3.48Å; A112-I116 WeakPolarHBondContact O-CD1 3.36Å; A112-I116 WeakPolarHBondContact O-CG1 3.41Å; A112-I116 PolarHBondContact O-N 3.02Å; E114-I116 PolarHBondContact O-N 3.47Å; I116-D118 VanDerWaalsContact C-N 3.32Å; I116-D118 PolarHBondContact O-N 2.83Å; I116-R119 PolarHBondContact O-N 3.49Å; I116-L120 HydrophobicContact CG2-CD1 3.96Å; I116-L120 HydrophobicContact CG2-CG 4.42Å; I116-L120 WeakPolarHBondContact O-CG 3.44Å; I116-L120 PolarHBondContact O-N 2.95Å; I116-I132 HydrophobicContact CG2-CG1 3.87Å; I116-W157 HydrophobicContact CD1-CE3 4.34Å; I116-W157 HydrophobicContact CD1-CZ3 4.39Å; I116-W157 HydrophobicContact CG1-CE3 4.01Å; I116-W157 HydrophobicContact CG1-CH2 3.76Å; I116-W157 HydrophobicContact CG1-CZ2 4.3Å; I116-W157 HydrophobicContact CG1-CZ3 3.58Å; I116-W160 HydrophobicContact CD1-CB 3.94Å; I116-W160 HydrophobicContact CD1-CD2 3.75Å; I116-W160 HydrophobicContact CD1-CE3 4.03Å; I116-W160 HydrophobicContact CD1-CG 3.71Å; I116-W160 HydrophobicContact CG1-CD2 4.07Å; I116-W160 HydrophobicContact CG1-CE3 4.1Å; I116-W160 HydrophobicContact CG1-CH2 4.47Å; I116-W160 HydrophobicContact CG1-CZ3 4.3Å; I116-W160 HydrophobicContact CG2-CD2 4.19Å; I116-W160 HydrophobicContact CG2-CH2 4.3Å; I116-W160 HydrophobicContact CG2-CZ2 3.68Å; I116-L165 HydrophobicContact CD1-CD1 4.24Å
117	S	98.7	Very high	98	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	12%	0.116	C	C	.	.	H	α-helix	trans	-58.9	-45.2	178.2	-59.8	0	0	0	0	111.2	V113 E114 L120 C121 L130 I132	V113-S117 VanDerWaalsContact O-CB 3.31Å; V113-S117 WeakPolarHBondContact O-CB 3.38Å; V113-S117 PolarHBondContact O-N 3.43Å; V113-S117 PolarHBondContact O-OG 2.72Å; E114-S117 PolarHBondContact O-N 3.27Å; S117-L120 PolarHBondContact O-N 3.13Å; S117-C121 PolarHBondContact O-N 3.41Å; S117-L130 WeakPolarHBondContact CB-O 3.26Å; S117-I132 PolarHBondContact OG-N 3.23Å
118	D	98.7	Very high	97.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.9	-45	177.2	-68.9	-23.8	0	0	0	111.7	T94 L95 E114 A115 I116 L120 C121 I122 P248 K283	T94-D118 WeakPolarHBondContact CB-OD1 3.4Å; T94-D118 PolarHBondContact OG1-OD1 3.35Å; L95-D118 HydrophobicContact CD2-CB 3.84Å; L95-D118 HydrophobicContact CG-CB 4.48Å; L95-D118 PolarHBondContact N-OD1 2.89Å; E114-D118 PolarHBondContact O-N 2.89Å; A115-D118 PolarHBondContact O-N 2.81Å; I116-D118 VanDerWaalsContact C-N 3.32Å; I116-D118 PolarHBondContact O-N 2.83Å; D118-L120 PolarHBondContact O-N 2.75Å; D118-C121 PolarHBondContact O-N 2.71Å; D118-I122 VanDerWaalsContact O-CG1 3.28Å; D118-I122 WeakPolarHBondContact O-CG1 3.38Å; D118-I122 PolarHBondContact O-N 2.59Å; D118-P248 HydrophobicContact CB-CB 4.49Å; D118-P248 HydrophobicContact CB-CG 3.93Å; D118-K283 VanDerWaalsContact OD2-CD 3.26Å; D118-K283 WeakPolarHBondContact OD2-CD 3.26Å; D118-K283 WeakPolarHBondContact OD2-CE 3.42Å; D118-K283 IonicContact OD2-NZ 2.85Å; D118-K283 PolarHBondContact OD2-NZ 2.04Å
119	R	98.1	Very high	97.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.9	-38.3	179.4	-72.6	179.3	175	-115.2	-14.4	112.8	A115 I116 C121 I122 Q123 Y230 E242 G247 P248 V249 G330	A115-R119 WeakPolarHBondContact O-CB 3.21Å; A115-R119 VanDerWaalsContact O-CG 3.23Å; A115-R119 WeakPolarHBondContact O-CG 3.31Å; A115-R119 PolarHBondContact O-N 2.96Å; I116-R119 PolarHBondContact O-N 3.49Å; R119-C121 PolarHBondContact O-N 3.47Å; R119-I122 PolarHBondContact O-N 3.03Å; R119-Q123 VanDerWaalsContact O-CB 3.25Å; R119-Q123 WeakPolarHBondContact O-CB 3.42Å; R119-Q123 WeakPolarHBondContact O-CG 3.46Å; R119-Q123 PolarHBondContact O-N 2.9Å; R119-Y230 PolarHBondContact NH1-OH 3.02Å; R119-E242 IonicContact CZ-OE1 3.76Å; R119-E242 IonicContact NH1-OE1 2.63Å; R119-E242 PolarHBondContact NH1-OE1 3.06Å; R119-E242 IonicContact NH2-OE1 3.62Å; R119-E242 PolarHBondContact NH2-OE1 3.06Å; R119-G247 PolarHBondContact NH2-O 2.95Å; R119-P248 PolarHBondContact NE-O 3.29Å; R119-P248 PolarHBondContact NH2-O 3.04Å; R119-P248 VanDerWaalsContact NH2-O 3.15Å; R119-V249 VanDerWaalsContact NH2-CG1 3.33Å; R119-G330 VanDerWaalsContact CD-O 3.23Å; R119-G330 WeakPolarHBondContact CD-O 3.27Å; R119-G330 PolarHBondContact NH1-O 3.22Å
120	L	97.6	Very high	97.5	Very high	15 Å²	15	27.6 Å²	27.6	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-57.1	-41.5	173.4	-77.7	163.1	0	0	0	111.3	I116 S117 D118 S124 I132 P332	I116-L120 HydrophobicContact CG2-CD1 3.96Å; I116-L120 HydrophobicContact CG2-CG 4.42Å; I116-L120 WeakPolarHBondContact O-CG 3.44Å; I116-L120 PolarHBondContact O-N 2.95Å; S117-L120 PolarHBondContact O-N 3.13Å; D118-L120 PolarHBondContact O-N 2.75Å; L120-S124 VanDerWaalsContact O-CB 3.25Å; L120-S124 WeakPolarHBondContact O-CB 3.43Å; L120-S124 PolarHBondContact O-N 2.99Å; L120-S124 PolarHBondContact O-OG 2.9Å; L120-I132 HydrophobicContact CD1-CD1 3.62Å; L120-I132 HydrophobicContact CD1-CG1 3.64Å; L120-P332 HydrophobicContact CD2-CB 3.49Å; L120-P332 VanDerWaalsContact CD2-CB 3.49Å; L120-P332 HydrophobicContact CD2-CG 4.42Å; L120-P332 HydrophobicContact CG-CB 4.09Å
121	C	98.3	Very high	97.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-69.8	-49.9	175.7	-177.5	0	0	0	0	113.2	C92 S117 D118 R119 Q123 S124 G125 G126 V128	C92-C121 WeakPolarHBondContact CA-SG 3.35Å; C92-C121 HydrophobicContact CB-CB 3.76Å; C92-C121 WeakPolarHBondContact CB-SG 3.43Å; C92-C121 WeakPolarHBondContact SG-CB 3.45Å; C92-C121 CovalentContact SG-SG 2.03Å; C92-C121 PolarHBondContact SG-SG 2.9Å; S117-C121 PolarHBondContact O-N 3.41Å; D118-C121 PolarHBondContact O-N 2.71Å; R119-C121 PolarHBondContact O-N 3.47Å; C121-Q123 PolarHBondContact O-N 3.31Å; C121-S124 PolarHBondContact O-N 3.13Å; C121-S124 PolarHBondContact O-OG 3.16Å; C121-G125 PolarHBondContact O-N 3.31Å; C121-G126 PolarHBondContact O-N 3.35Å; C121-V128 WeakPolarHBondContact CA-O 3.44Å; C121-V128 WeakPolarHBondContact CB-O 3.32Å; C121-V128 PolarHBondContact N-O 3.38Å
122	I	97.9	Very high	97.5	Very high	14 Å²	14	29.3 Å²	29.3	7%	0.072	17%	0.171	C	C	.	.	H	α-helix	trans	-59.9	-48.8	-177.2	-70.6	167.1	0	0	0	110.6	W89 L95 D118 R119 S124 G125	W89-I122 HydrophobicContact CB-CG1 4.15Å; W89-I122 HydrophobicContact CD2-CB 4.5Å; W89-I122 HydrophobicContact CD2-CD1 3.85Å; W89-I122 HydrophobicContact CD2-CG1 3.73Å; W89-I122 HydrophobicContact CD2-CG2 4.03Å; W89-I122 HydrophobicContact CE3-CD1 3.53Å; W89-I122 HydrophobicContact CE3-CG1 3.95Å; W89-I122 HydrophobicContact CG-CD1 4.41Å; W89-I122 HydrophobicContact CG-CG1 3.82Å; W89-I122 HydrophobicContact CG-CG2 4.39Å; W89-I122 HydrophobicContact CH2-CD1 4.4Å; W89-I122 HydrophobicContact CH2-CG2 4.44Å; W89-I122 HydrophobicContact CZ2-CG2 3.85Å; W89-I122 HydrophobicContact CZ3-CD1 3.82Å; L95-I122 HydrophobicContact CD2-CD1 4.39Å; D118-I122 VanDerWaalsContact O-CG1 3.28Å; D118-I122 WeakPolarHBondContact O-CG1 3.38Å; D118-I122 PolarHBondContact O-N 2.59Å; R119-I122 PolarHBondContact O-N 3.03Å; I122-S124 VanDerWaalsContact C-N 3.31Å; I122-S124 PolarHBondContact O-N 3.1Å; I122-G125 PolarHBondContact O-N 3.42Å
123	Q	96.4	Very high	97.5	Very high	63 Å²	63	29.3 Å²	29.3	29%	0.294	17%	0.172	S	C	.	.	H	α-helix	trans	-73.2	-24.1	-174.8	-60.3	-58.2	-40.8	0	0	112.9	R119 C121 G125 N246 M331 P332	R119-Q123 VanDerWaalsContact O-CB 3.25Å; R119-Q123 WeakPolarHBondContact O-CB 3.42Å; R119-Q123 WeakPolarHBondContact O-CG 3.46Å; R119-Q123 PolarHBondContact O-N 2.9Å; C121-Q123 PolarHBondContact O-N 3.31Å; Q123-G125 VanDerWaalsContact C-N 3.27Å; Q123-N246 PolarHBondContact NE2-O 3.24Å; Q123-M331 HydrophobicContact CG-CE 3.93Å; Q123-M331 VanDerWaalsContact OE1-CE 3.31Å; Q123-P332 HydrophobicContact CB-CG 3.66Å; Q123-P332 HydrophobicContact CG-CG 3.7Å
124	S	96.2	Very high	97.5	Very high	30 Å²	30	29.5 Å²	29.5	21%	0.21	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-2	171.4	68.5	0	0	0	0	113.5	L120 C121 I122 G126 K127 V128	L120-S124 VanDerWaalsContact O-CB 3.25Å; L120-S124 WeakPolarHBondContact O-CB 3.43Å; L120-S124 PolarHBondContact O-N 2.99Å; L120-S124 PolarHBondContact O-OG 2.9Å; C121-S124 PolarHBondContact O-N 3.13Å; C121-S124 PolarHBondContact O-OG 3.16Å; I122-S124 VanDerWaalsContact C-N 3.31Å; I122-S124 PolarHBondContact O-N 3.1Å; S124-G126 VanDerWaalsContact C-N 3.33Å; S124-K127 WeakPolarHBondContact O-CB 3.08Å; S124-K127 WeakPolarHBondContact O-CD 3.32Å; S124-K127 VanDerWaalsContact O-CG 3.31Å; S124-K127 WeakPolarHBondContact O-CG 3.38Å; S124-K127 PolarHBondContact O-N 3.3Å; S124-K127 PolarHBondContact OG-N 3.44Å; S124-V128 WeakPolarHBondContact OG-CB 3.35Å; S124-V128 PolarHBondContact OG-N 3.12Å
125	G	96.1	Very high	97.5	Very high	63 Å²	63	29.5 Å²	29.5	65%	0.649	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	34	-174.6	0	0	0	0	0	112.9	C121 I122 Q123	C121-G125 PolarHBondContact O-N 3.31Å; I122-G125 PolarHBondContact O-N 3.42Å; Q123-G125 VanDerWaalsContact C-N 3.27Å
126	G	96.1	Very high	97.5	Very high	25 Å²	25	29.5 Å²	29.5	26%	0.258	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	6.5	-179	0	0	0	0	0	115.2	C121 S124	C121-G126 PolarHBondContact O-N 3.35Å; S124-G126 VanDerWaalsContact C-N 3.33Å
127	K	95.8	Very high	97.5	Very high	185 Å²	185	29.5 Å²	29.5	80%	0.804	17%	0.173	S	C	*	.	S	Bend	trans	-80.5	-26.4	-178.7	-64.5	174.8	-172.9	171.7	0	113.3	S124	S124-K127 WeakPolarHBondContact O-CB 3.08Å; S124-K127 WeakPolarHBondContact O-CD 3.32Å; S124-K127 VanDerWaalsContact O-CG 3.31Å; S124-K127 WeakPolarHBondContact O-CG 3.38Å; S124-K127 PolarHBondContact O-N 3.3Å; S124-K127 PolarHBondContact OG-N 3.44Å
128	V	94.9	Very high	97.5	Very high	53 Å²	53	29.6 Å²	29.6	32%	0.321	17%	0.174	S	C	.	.			trans	-119	104.4	-179	179.3	0	0	0	0	108.3	C121 S124 L130	C121-V128 WeakPolarHBondContact CA-O 3.44Å; C121-V128 WeakPolarHBondContact CB-O 3.32Å; C121-V128 PolarHBondContact N-O 3.38Å; S124-V128 WeakPolarHBondContact OG-CB 3.35Å; S124-V128 PolarHBondContact OG-N 3.12Å; V128-L130 HydrophobicContact CG1-CD1 3.47Å; V128-L130 VanDerWaalsContact CG1-CD1 3.47Å; V128-L130 HydrophobicContact CG1-CG 3.68Å
129	T	95.9	Very high	97.5	Very high	70 Å²	70	30 Å²	30	43%	0.429	18%	0.176	S	C	.	.			trans	-113.3	97.4	175.4	54.9	0	0	0	0	108.5	P93	P93-T129 HydrophobicContact CG-CG2 4.29Å
130	L	96.1	Very high	97.6	Very high	51 Å²	51	30.8 Å²	30.8	27%	0.267	18%	0.181	S	C	.	.			trans	-130.9	146.9	-174.8	-61.3	174.6	0	0	0	110.3	S117 V128 T167 H222	S117-L130 WeakPolarHBondContact CB-O 3.26Å; V128-L130 HydrophobicContact CG1-CD1 3.47Å; V128-L130 VanDerWaalsContact CG1-CD1 3.47Å; V128-L130 HydrophobicContact CG1-CG 3.68Å; L130-T167 HydrophobicContact CB-CG2 4.28Å; L130-T167 HydrophobicContact CD1-CG2 4.19Å; L130-T167 HydrophobicContact CD2-CG2 4.24Å; L130-T167 HydrophobicContact CG-CG2 4.48Å; L130-H222 WeakPolarHBondContact CD1-CE1 3.02Å; L130-H222 WeakPolarHBondContact CD1-NE2 3.27Å
131	E	98.4	Very high	97.6	Very high	40 Å²	40	30.5 Å²	30.5	19%	0.187	18%	0.181	C	C	.	.			trans	-95.5	117.5	169.7	-74.8	-171.8	-116.4	0	0	108.6	Q97 R99 T167 G168 G169 V175	Q97-E131 PolarHBondContact NE2-OE2 3.44Å; Q97-E131 PolarHBondContact OE1-OE2 2.75Å; R99-E131 IonicContact CZ-OE2 3.24Å; R99-E131 VanDerWaalsContact NH2-CG 3.34Å; R99-E131 IonicContact NH2-OE2 3.84Å; R99-E131 PolarHBondContact NH2-OE2 3.26Å; R99-E131 VanDerWaalsContact NH2-OE2 3.11Å; E131-T167 CarbonylContact O-C 3.53Å; E131-T167 WeakPolarHBondContact O-CA 3.33Å; E131-T167 WeakPolarHBondContact O-CB 3.5Å; E131-G168 PolarHBondContact O-N 3.06Å; E131-G169 WeakPolarHBondContact OE2-CA 3.44Å; E131-V175 HydrophobicContact CB-CG1 4.38Å
132	I	98.7	Very high	97.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-80.9	138.2	174.9	-62.5	-56.3	0	0	0	110.3	R99 V113 I116 S117 L120 A134 L165 G168 H222	R99-I132 PolarHBondContact NH1-O 3.43Å; V113-I132 HydrophobicContact CB-CB 4.02Å; V113-I132 HydrophobicContact CB-CG2 3.88Å; V113-I132 HydrophobicContact CG1-CB 4.45Å; V113-I132 HydrophobicContact CG1-CG2 3.76Å; I116-I132 HydrophobicContact CG2-CG1 3.87Å; S117-I132 PolarHBondContact OG-N 3.23Å; L120-I132 HydrophobicContact CD1-CD1 3.62Å; L120-I132 HydrophobicContact CD1-CG1 3.64Å; I132-A134 PolarHBondContact O-N 3.49Å; I132-L165 HydrophobicContact CG2-CB 3.54Å; I132-L165 HydrophobicContact CG2-CD1 3.71Å; I132-L165 HydrophobicContact CG2-CG 4.25Å; I132-G168 CarbonylContact C-O 3.6Å; I132-H222 HydrophobicContact CD1-CB 4.11Å
133	S	98.9	Very high	97.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	25%	0.252	C	S	.	.			trans	-72.2	109.6	-173	-178.1	0	0	0	0	112	E135 D136 L137 V166 R178	S133-E135 PolarHBondContact O-N 2.73Å; S133-E135 WeakPolarHBondContact OG-CB 3.26Å; S133-E135 PolarHBondContact OG-N 3.3Å; S133-D136 PolarHBondContact O-N 3.31Å; S133-D136 WeakPolarHBondContact OG-CB 3.43Å; S133-D136 PolarHBondContact OG-N 3.1Å; S133-L137 PolarHBondContact O-N 2.87Å; S133-V166 WeakPolarHBondContact CB-O 3.24Å; S133-V166 PolarHBondContact N-O 2.65Å; S133-R178 WeakPolarHBondContact CB-O 3.49Å; S133-R178 PolarHBondContact OG-O 3.43Å
134	A	98.8	Very high	97.4	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.033	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-33.4	165.2	0	0	0	0	0	111	F110 V113 I132 L137 L138 Y180	F110-A134 HydrophobicContact CD2-CB 3.9Å; F110-A134 HydrophobicContact CE1-CB 4.42Å; F110-A134 HydrophobicContact CE2-CB 3.63Å; F110-A134 HydrophobicContact CG-CB 4.43Å; F110-A134 HydrophobicContact CZ-CB 3.92Å; V113-A134 HydrophobicContact CG2-CB 3.83Å; I132-A134 PolarHBondContact O-N 3.49Å; A134-L137 PolarHBondContact O-N 3.27Å; A134-L138 WeakPolarHBondContact O-CB 3.34Å; A134-L138 PolarHBondContact O-N 3.15Å; A134-Y180 HydrophobicContact CB-CD2 4.13Å; A134-Y180 HydrophobicContact CB-CE2 4.38Å
135	E	98.8	Very high	97.4	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.019	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-46.4	177.4	-174.2	71.1	-172.4	0	0	111.8	S133 T139 R178 Y180 T181	S133-E135 PolarHBondContact O-N 2.73Å; S133-E135 WeakPolarHBondContact OG-CB 3.26Å; S133-E135 PolarHBondContact OG-N 3.3Å; E135-T139 HydrophobicContact CG-CG2 4.41Å; E135-T139 VanDerWaalsContact O-CB 3.3Å; E135-T139 WeakPolarHBondContact O-CB 3.36Å; E135-T139 WeakPolarHBondContact O-CG2 3.28Å; E135-T139 PolarHBondContact O-N 3.12Å; E135-T139 PolarHBondContact O-OG1 2.98Å; E135-R178 HydrophobicContact CB-CB 4.44Å; E135-R178 HydrophobicContact CG-CB 4.49Å; E135-R178 IonicContact OE1-NH2 3.72Å; E135-Y180 HydrophobicContact CB-CD2 4.31Å; E135-Y180 WeakPolarHBondContact OE2-CD2 3.43Å; E135-T181 HydrophobicContact CG-CG2 4.27Å; E135-T181 VanDerWaalsContact OE1-CG2 3.22Å; E135-T181 WeakPolarHBondContact OE1-CG2 3.14Å; E135-T181 PolarHBondContact OE1-OG1 2.87Å; E135-T181 PolarHBondContact OE2-N 3.11Å; E135-T181 PolarHBondContact OE2-OG1 3.39Å; E135-T181 VanDerWaalsContact OE2-OG1 3.1Å
136	D	98.9	Very high	97.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.5	-42.9	-177.4	-164.6	40.8	0	0	0	111.4	S133 C140 L165 V166 R178 Y217 K221	S133-D136 PolarHBondContact O-N 3.31Å; S133-D136 WeakPolarHBondContact OG-CB 3.43Å; S133-D136 PolarHBondContact OG-N 3.1Å; D136-C140 VanDerWaalsContact O-CB 3.24Å; D136-C140 WeakPolarHBondContact O-CB 3.26Å; D136-C140 PolarHBondContact O-N 3.47Å; D136-C140 VanDerWaalsContact O-N 3.1Å; D136-L165 HydrophobicContact CB-CD2 4.26Å; D136-V166 HydrophobicContact CB-CG2 3.84Å; D136-V166 PolarHBondContact OD2-N 2.91Å; D136-V166 VanDerWaalsContact OD2-N 3.11Å; D136-R178 IonicContact OD1-NH1 2.79Å; D136-R178 PolarHBondContact OD1-NH1 3.09Å; D136-Y217 VanDerWaalsContact OD1-CE2 3.24Å; D136-Y217 WeakPolarHBondContact OD1-CE2 3.23Å; D136-Y217 PolarHBondContact OD1-OH 3.06Å; D136-K221 IonicContact OD1-NZ 3.81Å; D136-K221 IonicContact OD2-NZ 3.5Å; D136-K221 PolarHBondContact OD2-NZ 2.9Å
137	L	98.9	Very high	97.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-50.8	175.4	179.8	56.8	0	0	0	111.8	W108 A109 A112 V113 S133 A134 T139 C141 A156 F159 L165	W108-L137 HydrophobicContact CH2-CG 4.34Å; W108-L137 HydrophobicContact CZ3-CD1 4.16Å; W108-L137 HydrophobicContact CZ3-CD2 4.31Å; W108-L137 HydrophobicContact CZ3-CG 3.91Å; A109-L137 HydrophobicContact CB-CB 4.37Å; A109-L137 HydrophobicContact CB-CD2 3.7Å; A109-L137 HydrophobicContact CB-CG 3.93Å; A112-L137 HydrophobicContact CB-CD2 4.06Å; V113-L137 HydrophobicContact CG1-CB 4.24Å; V113-L137 HydrophobicContact CG1-CD2 3.76Å; S133-L137 PolarHBondContact O-N 2.87Å; A134-L137 PolarHBondContact O-N 3.27Å; L137-T139 VanDerWaalsContact C-N 3.31Å; L137-T139 PolarHBondContact O-N 2.76Å; L137-C141 HydrophobicContact CD1-CB 4.09Å; L137-C141 VanDerWaalsContact O-CB 3.29Å; L137-C141 WeakPolarHBondContact O-CB 3.41Å; L137-C141 PolarHBondContact O-N 2.93Å; L137-A156 HydrophobicContact CD1-CB 4.11Å; L137-A156 HydrophobicContact CD2-CB 3.74Å; L137-A156 HydrophobicContact CG-CB 4.41Å; L137-F159 HydrophobicContact CD1-CB 4.1Å; L137-F159 HydrophobicContact CD1-CD1 3.72Å; L137-F159 HydrophobicContact CD1-CE1 4.49Å; L137-F159 HydrophobicContact CD1-CG 4.14Å; L137-L165 HydrophobicContact CB-CD1 4.24Å; L137-L165 HydrophobicContact CB-CD2 3.61Å; L137-L165 HydrophobicContact CD1-CD2 4.21Å; L137-L165 HydrophobicContact CD2-CD1 4.37Å; L137-L165 HydrophobicContact CG-CD2 4.45Å
138	L	98.8	Very high	97.6	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-57.2	-44.6	-178.5	172.6	61.8	0	0	0	112	W108 A134 G147 Y180 I182 T202	W108-L138 HydrophobicContact CZ2-CD1 4.04Å; A134-L138 WeakPolarHBondContact O-CB 3.34Å; A134-L138 PolarHBondContact O-N 3.15Å; L138-G147 VanDerWaalsContact CD1-C 3.44Å; L138-Y180 HydrophobicContact CD2-CE2 3.76Å; L138-I182 HydrophobicContact CD2-CD1 4.03Å; L138-T202 HydrophobicContact CD1-CG2 4.32Å; L138-T202 HydrophobicContact CG-CG2 4.29Å
139	T	98.7	Very high	97.7	Very high	9 Å²	9	35 Å²	35	6%	0.055	19%	0.193	C	C	.	.	H	α-helix	trans	-93.6	-24	-167.1	63.3	0	0	0	0	113.6	E135 L137 R178 P203 C205	E135-T139 HydrophobicContact CG-CG2 4.41Å; E135-T139 VanDerWaalsContact O-CB 3.3Å; E135-T139 WeakPolarHBondContact O-CB 3.36Å; E135-T139 WeakPolarHBondContact O-CG2 3.28Å; E135-T139 PolarHBondContact O-N 3.12Å; E135-T139 PolarHBondContact O-OG1 2.98Å; L137-T139 VanDerWaalsContact C-N 3.31Å; L137-T139 PolarHBondContact O-N 2.76Å; T139-R178 PolarHBondContact OG1-NH1 3.05Å; T139-R178 PolarHBondContact OG1-NH2 3.02Å; T139-P203 WeakPolarHBondContact CB-O 3.25Å; T139-P203 HydrophobicContact CG2-CB 3.78Å; T139-P203 HydrophobicContact CG2-CG 4.24Å; T139-P203 VanDerWaalsContact CG2-O 3.27Å; T139-P203 WeakPolarHBondContact CG2-O 3.23Å; T139-C205 WeakPolarHBondContact O-CB 3.23Å
140	C	98.7	Very high	97.8	Very high	15 Å²	15	31.8 Å²	31.8	10%	0.101	17%	0.173	C	C	.	.	H	α-helix	trans	-114.2	-1.7	-172.3	-60.8	0	0	0	0	114.8	D136 F159 R178 C205	D136-C140 VanDerWaalsContact O-CB 3.24Å; D136-C140 WeakPolarHBondContact O-CB 3.26Å; D136-C140 PolarHBondContact O-N 3.47Å; D136-C140 VanDerWaalsContact O-N 3.1Å; C140-F159 HydrophobicContact CB-CZ 4.21Å; C140-F159 WeakPolarHBondContact O-CE2 3.38Å; C140-R178 PolarHBondContact SG-NH1 3.47Å; C140-R178 VanDerWaalsContact SG-NH1 3.35Å; C140-C205 HydrophobicContact CB-CB 3.97Å; C140-C205 WeakPolarHBondContact CB-SG 3.41Å; C140-C205 VanDerWaalsContact SG-CA 3.52Å; C140-C205 WeakPolarHBondContact SG-CB 3.16Å; C140-C205 CovalentContact SG-SG 2.04Å; C140-C205 PolarHBondContact SG-SG 3.12Å
141	C	98.4	Very high	97.9	Very high	10 Å²	10	29.3 Å²	29.3	7%	0.068	16%	0.16	C	C	.	.			trans	-97.7	88.3	173.5	-172.9	0	0	0	0	111.7	L137 D143 C144 F159	L137-C141 HydrophobicContact CD1-CB 4.09Å; L137-C141 VanDerWaalsContact O-CB 3.29Å; L137-C141 WeakPolarHBondContact O-CB 3.41Å; L137-C141 PolarHBondContact O-N 2.93Å; C141-D143 VanDerWaalsContact C-N 3.28Å; C141-D143 PolarHBondContact O-N 2.93Å; C141-C144 HydrophobicContact CB-CB 3.64Å; C141-C144 WeakPolarHBondContact CB-SG 3.38Å; C141-C144 PolarHBondContact O-N 2.97Å; C141-C144 WeakPolarHBondContact SG-CB 3.4Å; C141-C144 PolarHBondContact SG-N 3.12Å; C141-C144 CovalentContact SG-SG 2.02Å; C141-C144 PolarHBondContact SG-SG 3.38Å; C141-F159 HydrophobicContact CB-CB 4.27Å; C141-F159 HydrophobicContact CB-CD1 4.25Å; C141-F159 HydrophobicContact CB-CD2 3.57Å; C141-F159 HydrophobicContact CB-CE1 4.49Å; C141-F159 HydrophobicContact CB-CE2 3.85Å; C141-F159 HydrophobicContact CB-CG 3.77Å; C141-F159 HydrophobicContact CB-CZ 4.3Å; C141-F159 WeakPolarHBondContact SG-CD2 3.32Å
142	D	95.5	Very high	97.9	Very high	142 Å²	142	30.8 Å²	30.8	76%	0.759	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-64.9	-32.1	178.9	-62.3	-32.2	0	0	0	112.5	C144	D142-C144 VanDerWaalsContact C-N 3.3Å; D142-C144 PolarHBondContact O-N 3.03Å
143	D	95.2	Very high	97.9	Very high	151 Å²	151	31.2 Å²	31.2	81%	0.807	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-80.5	-8.7	179.5	-66.3	-34	0	0	0	113.2	C141 G145	C141-D143 VanDerWaalsContact C-N 3.28Å; C141-D143 PolarHBondContact O-N 2.93Å; D143-G145 VanDerWaalsContact C-N 3.33Å
144	C	97.5	Very high	97.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-80.2	-14.8	-177	-70.1	0	0	0	0	113.5	W108 C141 D142 G151 Y152 A155	W108-C144 HydrophobicContact CE3-CB 4.15Å; W108-C144 HydrophobicContact CH2-CB 3.41Å; W108-C144 VanDerWaalsContact CH2-CB 3.41Å; W108-C144 HydrophobicContact CZ2-CB 4.33Å; W108-C144 HydrophobicContact CZ3-CB 3.31Å; C141-C144 HydrophobicContact CB-CB 3.64Å; C141-C144 WeakPolarHBondContact CB-SG 3.38Å; C141-C144 PolarHBondContact O-N 2.97Å; C141-C144 WeakPolarHBondContact SG-CB 3.4Å; C141-C144 PolarHBondContact SG-N 3.12Å; C141-C144 CovalentContact SG-SG 2.02Å; C141-C144 PolarHBondContact SG-SG 3.38Å; D142-C144 VanDerWaalsContact C-N 3.3Å; D142-C144 PolarHBondContact O-N 3.03Å; C144-G151 CarbonylContact O-C 3.48Å; C144-G151 WeakPolarHBondContact O-CA 3.33Å; C144-Y152 WeakPolarHBondContact O-CD2 3.42Å; C144-Y152 PolarHBondContact O-N 3.09Å; C144-A155 HydrophobicContact CB-CB 4.21Å; C144-A155 VanDerWaalsContact SG-C 3.5Å; C144-A155 PolarHBondContact SG-O 2.94Å
145	G	96.8	Very high	97.8	Very high	27 Å²	27	32 Å²	32	28%	0.278	17%	0.173	S	C	.	.	B	Isolated β-bridge	trans	138.1	-142.2	-179.3	0	0	0	0	0	112.1	D143	D143-G145 VanDerWaalsContact C-N 3.33Å
146	M	97.4	Very high	97.7	Very high	114 Å²	114	31.8 Å²	31.8	56%	0.562	17%	0.172	S	C	*	.	S	Bend	trans	-110.9	34.6	-172.5	-61.2	169.8	-71.3	0	0	111.6	I61 C148 F149 G150	I61-M146 HydrophobicContact CD1-CE 3.84Å; M146-C148 PolarHBondContact O-N 2.9Å; M146-C148 VanDerWaalsContact O-N 3.13Å; M146-F149 HydrophobicContact CB-CB 3.87Å; M146-F149 WeakPolarHBondContact O-CB 3.45Å; M146-F149 WeakPolarHBondContact O-CD2 3.39Å; M146-F149 PolarHBondContact O-N 3.07Å; M146-G150 PolarHBondContact N-O 3.17Å
147	G	97.6	Very high	97.7	Very high	7 Å²	7	31.8 Å²	31.8	7%	0.072	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	58	-115.8	177.2	0	0	0	0	0	112.8	W108 L138 F149 G150 T202	W108-G147 PolarHBondContact NE1-O 2.91Å; L138-G147 VanDerWaalsContact CD1-C 3.44Å; G147-F149 PolarHBondContact O-N 3.28Å; G147-G150 PolarHBondContact O-N 3.16Å; G147-T202 WeakPolarHBondContact CA-OG1 3.42Å
148	C	97.5	Very high	97.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-68.6	-15.8	176.7	-71.8	0	0	0	0	114.6	C104 G105 M146 T200 T202	C104-C148 HydrophobicContact CB-CB 3.85Å; C104-C148 WeakPolarHBondContact CB-SG 3.36Å; C104-C148 WeakPolarHBondContact SG-CA 3.04Å; C104-C148 WeakPolarHBondContact SG-CB 3.08Å; C104-C148 CovalentContact SG-SG 2.04Å; C104-C148 PolarHBondContact SG-SG 2.8Å; G105-C148 WeakPolarHBondContact CA-O 3.34Å; G105-C148 PolarHBondContact N-O 3.05Å; M146-C148 PolarHBondContact O-N 2.9Å; M146-C148 VanDerWaalsContact O-N 3.13Å; C148-T200 WeakPolarHBondContact CB-O 3.46Å; C148-T202 PolarHBondContact N-OG1 3.32Å
149	F	97	Very high	97.5	Very high	87 Å²	87	35.8 Å²	35.8	38%	0.382	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-92.1	11.5	175.5	-53.9	-78.9	0	0	0	112.4	M146 G147 E199	M146-F149 HydrophobicContact CB-CB 3.87Å; M146-F149 WeakPolarHBondContact O-CB 3.45Å; M146-F149 WeakPolarHBondContact O-CD2 3.39Å; M146-F149 PolarHBondContact O-N 3.07Å; G147-F149 PolarHBondContact O-N 3.28Å; F149-E199 HydrophobicContact CD1-CG 4.12Å; F149-E199 VanDerWaalsContact CD1-OE1 3.29Å; F149-E199 WeakPolarHBondContact CD1-OE1 3.24Å; F149-E199 WeakPolarHBondContact CD1-OE2 3.4Å; F149-E199 HydrophobicContact CE1-CG 3.84Å; F149-E199 VanDerWaalsContact CE1-OE2 3.3Å; F149-E199 WeakPolarHBondContact CE1-OE2 3.37Å
150	G	97.6	Very high	97.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.01	19%	0.188	C	C	.	.			trans	107.6	162.7	168.4	0	0	0	0	0	115.4	G59 M146 G147	G59-G150 CarbonylContact O-C 3.42Å; G59-G150 WeakPolarHBondContact O-CA 3.39Å; M146-G150 PolarHBondContact N-O 3.17Å; G147-G150 PolarHBondContact O-N 3.16Å
151	G	98.3	Very high	97.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-160.1	-177.9	-173	0	0	0	0	0	114.1	G59 I61 C144	G59-G151 PolarHBondContact O-N 2.78Å; I61-G151 PolarHBondContact N-O 2.95Å; C144-G151 CarbonylContact O-C 3.48Å; C144-G151 WeakPolarHBondContact O-CA 3.33Å
152	Y	98.6	Very high	97.2	Very high	70 Å²	70	40.1 Å²	40.1	28%	0.275	21%	0.206	S	C	.	.			trans	-109.4	121.5	-174.9	-55.6	-75.9	0	0	0	110.7	I61 C144 S154 A155 A156	I61-Y152 HydrophobicContact CB-CD1 3.86Å; I61-Y152 HydrophobicContact CB-CE1 3.52Å; I61-Y152 HydrophobicContact CD1-CE1 4.21Å; I61-Y152 HydrophobicContact CD1-CE2 4.22Å; I61-Y152 HydrophobicContact CG1-CE1 4.46Å; I61-Y152 HydrophobicContact CG2-CD1 4.18Å; I61-Y152 HydrophobicContact CG2-CE1 3.38Å; I61-Y152 WeakPolarHBondContact O-CD1 3.1Å; C144-Y152 WeakPolarHBondContact O-CD2 3.42Å; C144-Y152 PolarHBondContact O-N 3.09Å; Y152-S154 VanDerWaalsContact C-N 3.3Å; Y152-S154 PolarHBondContact O-N 3.22Å; Y152-A155 PolarHBondContact O-N 3.27Å; Y152-A156 PolarHBondContact O-N 2.92Å
153	S	98.1	Very high	97.3	Very high	9 Å²	9	36.4 Å²	36.4	6%	0.063	19%	0.188	C	C	.	.	H	α-helix	trans	-56.6	-42.2	176.9	-63.3	0	0	0	0	112	A155 A156 W157 E250	S153-A155 VanDerWaalsContact C-N 3.35Å; S153-A155 PolarHBondContact O-N 3.15Å; S153-A156 WeakPolarHBondContact O-CB 3.43Å; S153-A156 PolarHBondContact O-N 3.33Å; S153-A156 VanDerWaalsContact O-N 3.14Å; S153-W157 VanDerWaalsContact O-CD1 3.28Å; S153-W157 PolarHBondContact O-N 2.81Å; S153-E250 VanDerWaalsContact CB-CD 3.43Å; S153-E250 VanDerWaalsContact CB-OE1 3.31Å; S153-E250 WeakPolarHBondContact CB-OE1 3.43Å; S153-E250 WeakPolarHBondContact CB-OE2 3.34Å; S153-E250 VanDerWaalsContact OG-CD 3.28Å; S153-E250 PolarHBondContact OG-OE1 3.15Å
154	S	97.3	Very high	97.4	Very high	10 Å²	10	29.2 Å²	29.2	7%	0.07	15%	0.15	C	C	.	.	H	α-helix	trans	-57.5	-44.1	177.6	51.7	0	0	0	0	113.7	P65 Y152 A156 W157 E158	P65-S154 WeakPolarHBondContact O-CB 3.43Å; P65-S154 PolarHBondContact O-OG 2.87Å; Y152-S154 VanDerWaalsContact C-N 3.3Å; Y152-S154 PolarHBondContact O-N 3.22Å; S154-A156 VanDerWaalsContact C-N 3.32Å; S154-A156 PolarHBondContact O-N 2.69Å; S154-W157 PolarHBondContact O-N 3.1Å; S154-E158 PolarHBondContact O-N 2.63Å
155	A	97.6	Very high	97.4	Very high	11 Å²	11	29.2 Å²	29.2	9%	0.091	15%	0.15	C	C	.	.	H	α-helix	trans	-67	-33.4	178.8	0	0	0	0	0	112	C144 Y152 S153 W157 E158 F159	C144-A155 HydrophobicContact CB-CB 4.21Å; C144-A155 VanDerWaalsContact SG-C 3.5Å; C144-A155 PolarHBondContact SG-O 2.94Å; Y152-A155 PolarHBondContact O-N 3.27Å; S153-A155 VanDerWaalsContact C-N 3.35Å; S153-A155 PolarHBondContact O-N 3.15Å; A155-W157 PolarHBondContact O-N 3.47Å; A155-E158 PolarHBondContact O-N 3.17Å; A155-F159 WeakPolarHBondContact O-CB 3.37Å; A155-F159 PolarHBondContact O-N 3.29Å
156	A	98.3	Very high	97.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.7	-46.9	174.4	0	0	0	0	0	112.6	W108 A112 L137 Y152 S153 S154 F159 W160	W108-A156 HydrophobicContact CE3-CB 3.93Å; W108-A156 HydrophobicContact CZ3-CB 4.02Å; A112-A156 HydrophobicContact CB-CB 3.83Å; L137-A156 HydrophobicContact CD1-CB 4.11Å; L137-A156 HydrophobicContact CD2-CB 3.74Å; L137-A156 HydrophobicContact CG-CB 4.41Å; Y152-A156 PolarHBondContact O-N 2.92Å; S153-A156 WeakPolarHBondContact O-CB 3.43Å; S153-A156 PolarHBondContact O-N 3.33Å; S153-A156 VanDerWaalsContact O-N 3.14Å; S154-A156 VanDerWaalsContact C-N 3.32Å; S154-A156 PolarHBondContact O-N 2.69Å; A156-F159 PolarHBondContact O-N 2.87Å; A156-W160 PolarHBondContact O-N 2.77Å
157	W	98.2	Very high	97.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-69	-34.4	176.5	-70.5	82.9	0	0	0	112.3	L67 A115 I116 S153 S154 A155 W160 T161 E250 V328 A329 G330	L67-W157 HydrophobicContact CD1-CB 4.49Å; A115-W157 HydrophobicContact CB-CH2 3.91Å; A115-W157 HydrophobicContact CB-CZ2 3.75Å; I116-W157 HydrophobicContact CD1-CE3 4.34Å; I116-W157 HydrophobicContact CD1-CZ3 4.39Å; I116-W157 HydrophobicContact CG1-CE3 4.01Å; I116-W157 HydrophobicContact CG1-CH2 3.76Å; I116-W157 HydrophobicContact CG1-CZ2 4.3Å; I116-W157 HydrophobicContact CG1-CZ3 3.58Å; S153-W157 VanDerWaalsContact O-CD1 3.28Å; S153-W157 PolarHBondContact O-N 2.81Å; S154-W157 PolarHBondContact O-N 3.1Å; A155-W157 PolarHBondContact O-N 3.47Å; W157-W160 AromaticContact CE3-CE3 3.74Å; W157-W160 HydrophobicContact CE3-CE3 3.74Å; W157-W160 AromaticContact CE3-CZ3 3.73Å; W157-W160 HydrophobicContact CE3-CZ3 3.73Å; W157-W160 HydrophobicContact CZ3-CE3 4.14Å; W157-W160 HydrophobicContact CZ3-CH2 4.5Å; W157-W160 AromaticContact CZ3-CZ3 3.73Å; W157-W160 HydrophobicContact CZ3-CZ3 3.73Å; W157-W160 PolarHBondContact O-N 3.36Å; W157-T161 VanDerWaalsContact O-CG2 3.29Å; W157-T161 WeakPolarHBondContact O-CG2 3.48Å; W157-T161 PolarHBondContact O-N 3.33Å; W157-T161 VanDerWaalsContact O-N 3.09Å; W157-T161 PolarHBondContact O-OG1 3.25Å; W157-E250 VanDerWaalsContact CD1-OE2 3.25Å; W157-E250 HydrophobicContact CZ2-CB 4.15Å; W157-E250 PolarHBondContact NE1-OE2 3.14Å; W157-V328 HydrophobicContact CG-CG2 4.47Å; W157-A329 VanDerWaalsContact CE3-C 3.41Å; W157-G330 VanDerWaalsContact CE3-N 3.3Å
158	E	96.9	Very high	97.6	Very high	66 Å²	66	22.3 Å²	22.3	31%	0.308	11%	0.108	S	C	.	.	H	α-helix	trans	-62.6	-42	170.8	-73.6	-163	108.5	0	0	112.1	L67 S154 A155 W160 T161 K162	L67-E158 HydrophobicContact CD2-CG 3.59Å; S154-E158 PolarHBondContact O-N 2.63Å; A155-E158 PolarHBondContact O-N 3.17Å; E158-W160 VanDerWaalsContact C-N 3.34Å; E158-W160 PolarHBondContact O-N 3.23Å; E158-T161 WeakPolarHBondContact CA-OG1 3.35Å; E158-T161 PolarHBondContact O-N 2.75Å; E158-T161 VanDerWaalsContact O-N 3.14Å; E158-T161 PolarHBondContact O-OG1 3.39Å; E158-K162 VanDerWaalsContact CD-NZ 3.26Å; E158-K162 WeakPolarHBondContact O-CB 3.34Å; E158-K162 WeakPolarHBondContact O-CG 3.16Å; E158-K162 PolarHBondContact O-N 3.48Å; E158-K162 IonicContact OE1-NZ 3.94Å; E158-K162 PolarHBondContact OE1-NZ 2.7Å; E158-K162 IonicContact OE2-NZ 3.89Å; E158-K162 PolarHBondContact OE2-NZ 2.96Å
159	F	97.6	Very high	97.7	Very high	23 Å²	23	22.4 Å²	22.4	10%	0.101	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-43.5	177.1	-175.3	-94	0	0	0	111.5	L137 C140 C141 A155 A156 T161 K162 T163 G164 L165	L137-F159 HydrophobicContact CD1-CB 4.1Å; L137-F159 HydrophobicContact CD1-CD1 3.72Å; L137-F159 HydrophobicContact CD1-CE1 4.49Å; L137-F159 HydrophobicContact CD1-CG 4.14Å; C140-F159 HydrophobicContact CB-CZ 4.21Å; C140-F159 WeakPolarHBondContact O-CE2 3.38Å; C141-F159 HydrophobicContact CB-CB 4.27Å; C141-F159 HydrophobicContact CB-CD1 4.25Å; C141-F159 HydrophobicContact CB-CD2 3.57Å; C141-F159 HydrophobicContact CB-CE1 4.49Å; C141-F159 HydrophobicContact CB-CE2 3.85Å; C141-F159 HydrophobicContact CB-CG 3.77Å; C141-F159 HydrophobicContact CB-CZ 4.3Å; C141-F159 WeakPolarHBondContact SG-CD2 3.32Å; A155-F159 WeakPolarHBondContact O-CB 3.37Å; A155-F159 PolarHBondContact O-N 3.29Å; A156-F159 PolarHBondContact O-N 2.87Å; F159-T161 VanDerWaalsContact C-N 3.27Å; F159-T161 PolarHBondContact O-N 3.11Å; F159-K162 PolarHBondContact O-N 2.72Å; F159-T163 HydrophobicContact CE1-CG2 4.17Å; F159-T163 HydrophobicContact CE2-CG2 3.8Å; F159-T163 HydrophobicContact CZ-CG2 3.59Å; F159-T163 WeakPolarHBondContact O-CA 3.37Å; F159-T163 WeakPolarHBondContact O-CB 3.15Å; F159-T163 PolarHBondContact O-N 2.98Å; F159-G164 PolarHBondContact O-N 3.46Å; F159-G164 VanDerWaalsContact O-N 3.09Å; F159-L165 HydrophobicContact CD1-CD2 3.77Å; F159-L165 HydrophobicContact CD1-CG 4.32Å; F159-L165 HydrophobicContact CE1-CD2 3.64Å; F159-L165 HydrophobicContact CE1-CG 4.49Å
160	W	98.1	Very high	97.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.7	-37.3	174.1	173.3	56.6	0	0	0	112.8	I116 A156 W157 E158 G164 L165 H222 G224 M331 P332	I116-W160 HydrophobicContact CD1-CB 3.94Å; I116-W160 HydrophobicContact CD1-CD2 3.75Å; I116-W160 HydrophobicContact CD1-CE3 4.03Å; I116-W160 HydrophobicContact CD1-CG 3.71Å; I116-W160 HydrophobicContact CG1-CD2 4.07Å; I116-W160 HydrophobicContact CG1-CE3 4.1Å; I116-W160 HydrophobicContact CG1-CH2 4.47Å; I116-W160 HydrophobicContact CG1-CZ3 4.3Å; I116-W160 HydrophobicContact CG2-CD2 4.19Å; I116-W160 HydrophobicContact CG2-CH2 4.3Å; I116-W160 HydrophobicContact CG2-CZ2 3.68Å; A156-W160 PolarHBondContact O-N 2.77Å; W157-W160 AromaticContact CE3-CE3 3.74Å; W157-W160 HydrophobicContact CE3-CE3 3.74Å; W157-W160 AromaticContact CE3-CZ3 3.73Å; W157-W160 HydrophobicContact CE3-CZ3 3.73Å; W157-W160 HydrophobicContact CZ3-CE3 4.14Å; W157-W160 HydrophobicContact CZ3-CH2 4.5Å; W157-W160 AromaticContact CZ3-CZ3 3.73Å; W157-W160 HydrophobicContact CZ3-CZ3 3.73Å; W157-W160 PolarHBondContact O-N 3.36Å; E158-W160 VanDerWaalsContact C-N 3.34Å; E158-W160 PolarHBondContact O-N 3.23Å; W160-G164 VanDerWaalsContact O-CA 3.26Å; W160-G164 WeakPolarHBondContact O-CA 3.16Å; W160-G164 PolarHBondContact O-N 3.11Å; W160-L165 HydrophobicContact CB-CD1 3.96Å; W160-L165 HydrophobicContact CB-CG 4.39Å; W160-L165 HydrophobicContact CG-CD1 4.31Å; W160-H222 VanDerWaalsContact CD1-O 3.23Å; W160-H222 PolarHBondContact NE1-O 2.72Å; W160-G224 VanDerWaalsContact CE2-N 3.28Å; W160-G224 PolarHBondContact O-N 2.74Å; W160-M331 VanDerWaalsContact CH2-C 3.45Å; W160-M331 WeakPolarHBondContact CH2-O 3.47Å; W160-P332 HydrophobicContact CH2-CB 4.23Å; W160-P332 HydrophobicContact CZ2-CB 4.07Å
161	T	95.9	Very high	97.5	Very high	4 Å²	4	26.9 Å²	26.9	3%	0.025	13%	0.128	C	C	.	.	H	α-helix	trans	-79.4	-33	180	62	0	0	0	0	113.6	W157 E158 F159	W157-T161 VanDerWaalsContact O-CG2 3.29Å; W157-T161 WeakPolarHBondContact O-CG2 3.48Å; W157-T161 PolarHBondContact O-N 3.33Å; W157-T161 VanDerWaalsContact O-N 3.09Å; W157-T161 PolarHBondContact O-OG1 3.25Å; E158-T161 WeakPolarHBondContact CA-OG1 3.35Å; E158-T161 PolarHBondContact O-N 2.75Å; E158-T161 VanDerWaalsContact O-N 3.14Å; E158-T161 PolarHBondContact O-OG1 3.39Å; F159-T161 VanDerWaalsContact C-N 3.27Å; F159-T161 PolarHBondContact O-N 3.11Å
162	K	94.9	Very high	97.2	Very high	120 Å²	120	32.6 Å²	32.6	52%	0.522	16%	0.158	S	C	.	.	H	α-helix	trans	-87.8	-44.2	-178	-67.8	172.5	-172.2	163.6	0	112.8	E158 F159	E158-K162 VanDerWaalsContact CD-NZ 3.26Å; E158-K162 WeakPolarHBondContact O-CB 3.34Å; E158-K162 WeakPolarHBondContact O-CG 3.16Å; E158-K162 PolarHBondContact O-N 3.48Å; E158-K162 IonicContact OE1-NZ 3.94Å; E158-K162 PolarHBondContact OE1-NZ 2.7Å; E158-K162 IonicContact OE2-NZ 3.89Å; E158-K162 PolarHBondContact OE2-NZ 2.96Å; F159-K162 PolarHBondContact O-N 2.72Å
163	T	96.4	Very high	97.1	Very high	64 Å²	64	31.4 Å²	31.4	39%	0.393	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-28.1	-170.6	-51.7	0	0	0	0	112.5	F159 F223	F159-T163 HydrophobicContact CE1-CG2 4.17Å; F159-T163 HydrophobicContact CE2-CG2 3.8Å; F159-T163 HydrophobicContact CZ-CG2 3.59Å; F159-T163 WeakPolarHBondContact O-CA 3.37Å; F159-T163 WeakPolarHBondContact O-CB 3.15Å; F159-T163 PolarHBondContact O-N 2.98Å; T163-F223 VanDerWaalsContact C-CE1 3.47Å; T163-F223 WeakPolarHBondContact O-CE1 3.29Å
164	G	97.6	Very high	96.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.			trans	76.1	164	-174.8	0	0	0	0	0	113.1	F159 W160 K221 H222	F159-G164 PolarHBondContact O-N 3.46Å; F159-G164 VanDerWaalsContact O-N 3.09Å; W160-G164 VanDerWaalsContact O-CA 3.26Å; W160-G164 WeakPolarHBondContact O-CA 3.16Å; W160-G164 PolarHBondContact O-N 3.11Å; G164-K221 VanDerWaalsContact C-CD 3.47Å; G164-K221 WeakPolarHBondContact O-CD 3.4Å; G164-K221 PolarHBondContact O-NZ 2.91Å; G164-H222 CarbonylContact C-O 3.41Å; G164-H222 WeakPolarHBondContact CA-O 3.45Å
165	L	98.7	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-128.2	140.3	-178.2	-69.5	169.5	0	0	0	110.7	V113 I116 I132 D136 L137 F159 W160 H222	V113-L165 HydrophobicContact CG1-CD1 3.97Å; I116-L165 HydrophobicContact CD1-CD1 4.24Å; I132-L165 HydrophobicContact CG2-CB 3.54Å; I132-L165 HydrophobicContact CG2-CD1 3.71Å; I132-L165 HydrophobicContact CG2-CG 4.25Å; D136-L165 HydrophobicContact CB-CD2 4.26Å; L137-L165 HydrophobicContact CB-CD1 4.24Å; L137-L165 HydrophobicContact CB-CD2 3.61Å; L137-L165 HydrophobicContact CD1-CD2 4.21Å; L137-L165 HydrophobicContact CD2-CD1 4.37Å; L137-L165 HydrophobicContact CG-CD2 4.45Å; F159-L165 HydrophobicContact CD1-CD2 3.77Å; F159-L165 HydrophobicContact CD1-CG 4.32Å; F159-L165 HydrophobicContact CE1-CD2 3.64Å; F159-L165 HydrophobicContact CE1-CG 4.49Å; W160-L165 HydrophobicContact CB-CD1 3.96Å; W160-L165 HydrophobicContact CB-CG 4.39Å; W160-L165 HydrophobicContact CG-CD1 4.31Å; L165-H222 PolarHBondContact N-O 3.31Å; L165-H222 PolarHBondContact O-N 2.76Å
166	V	98.8	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.			trans	-81.5	168.8	173.5	-56.7	0	0	0	0	111.3	S133 D136 C177 R178 Y217 D220 K221	S133-V166 WeakPolarHBondContact CB-O 3.24Å; S133-V166 PolarHBondContact N-O 2.65Å; D136-V166 HydrophobicContact CB-CG2 3.84Å; D136-V166 PolarHBondContact OD2-N 2.91Å; D136-V166 VanDerWaalsContact OD2-N 3.11Å; V166-C177 HydrophobicContact CB-CB 3.91Å; V166-C177 HydrophobicContact CG2-CB 3.9Å; V166-R178 HydrophobicContact CG2-CB 4.01Å; V166-R178 HydrophobicContact CG2-CG 3.93Å; V166-Y217 HydrophobicContact CB-CD2 4.45Å; V166-Y217 HydrophobicContact CB-CE2 4.49Å; V166-Y217 HydrophobicContact CG1-CD2 3.54Å; V166-Y217 HydrophobicContact CG1-CE2 3.61Å; V166-Y217 HydrophobicContact CG1-CG 4.11Å; V166-Y217 WeakPolarHBondContact CG1-O 3.28Å; V166-Y217 HydrophobicContact CG2-CD2 4.18Å; V166-Y217 HydrophobicContact CG2-CE2 4.05Å; V166-D220 WeakPolarHBondContact CA-O 3.36Å; V166-D220 HydrophobicContact CB-CB 4.18Å; V166-D220 HydrophobicContact CG1-CB 4.1Å; V166-K221 HydrophobicContact CG1-CD 3.69Å; V166-K221 HydrophobicContact CG1-CG 3.97Å
167	T	98.9	Very high	97	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.025	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-71.7	151.5	172.2	63.9	0	0	0	0	111.6	L130 E131 G176 C177 R178 Y213 D220	L130-T167 HydrophobicContact CB-CG2 4.28Å; L130-T167 HydrophobicContact CD1-CG2 4.19Å; L130-T167 HydrophobicContact CD2-CG2 4.24Å; L130-T167 HydrophobicContact CG-CG2 4.48Å; E131-T167 CarbonylContact O-C 3.53Å; E131-T167 WeakPolarHBondContact O-CA 3.33Å; E131-T167 WeakPolarHBondContact O-CB 3.5Å; T167-G176 WeakPolarHBondContact OG1-CA 3.27Å; T167-C177 WeakPolarHBondContact O-CA 3.46Å; T167-C177 WeakPolarHBondContact O-CB 3.35Å; T167-C177 PolarHBondContact O-N 3.27Å; T167-C177 PolarHBondContact OG1-N 3.41Å; T167-R178 PolarHBondContact O-N 3.43Å; T167-Y213 PolarHBondContact OG1-OH 2.02Å; T167-D220 WeakPolarHBondContact CB-OD2 3.17Å; T167-D220 WeakPolarHBondContact CG2-OD2 3.14Å; T167-D220 PolarHBondContact N-OD2 3.37Å; T167-D220 PolarHBondContact OG1-OD2 2.9Å
168	G	98.6	Very high	97	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.			trans	177.9	121.5	-179.5	0	0	0	0	0	112.3	E131 I132 V175 R178	E131-G168 PolarHBondContact O-N 3.06Å; I132-G168 CarbonylContact C-O 3.6Å; G168-V175 WeakPolarHBondContact CA-O 3.1Å; G168-R178 WeakPolarHBondContact CA-O 3.44Å
169	G	97.8	Very high	97.1	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.021	20%	0.195	C	C	.	.			trans	-93.4	-159.8	176.8	0	0	0	0	0	113.9	E131 V175 P179 Y180	E131-G169 WeakPolarHBondContact OE2-CA 3.44Å; G169-V175 PolarHBondContact N-O 3.28Å; G169-P179 WeakPolarHBondContact O-CA 3.29Å; G169-Y180 PolarHBondContact O-N 2.81Å
170	L	95.8	Very high	97.1	Very high	62 Å²	62	37.9 Å²	37.9	33%	0.325	19%	0.192	S	C	.	.	S	Bend	trans	-63.3	165.7	180	-64	173.7	0	0	0	113.3	R99 D172 S173	R99-L170 HydrophobicContact CB-CD2 3.66Å; R99-L170 HydrophobicContact CG-CD2 3.81Å; L170-D172 PolarHBondContact O-N 3.22Å; L170-S173 PolarHBondContact N-OG 2.64Å; L170-S173 WeakPolarHBondContact O-CB 2.96Å; L170-S173 PolarHBondContact O-N 3.46Å; L170-S173 VanDerWaalsContact O-N 3.12Å; L170-S173 PolarHBondContact O-OG 2.93Å
171	Y	94.9	Very high	97.1	Very high	119 Å²	119	41.5 Å²	41.5	47%	0.467	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	131.9	171	179.1	-98.5	0	0	0	112.4	S173 Y180 T181 A183	Y171-S173 PolarHBondContact O-N 3.23Å; Y171-Y180 VanDerWaalsContact CA-O 3.3Å; Y171-Y180 WeakPolarHBondContact CA-O 2.93Å; Y171-T181 WeakPolarHBondContact CD2-O 3.36Å; Y171-T181 WeakPolarHBondContact CE2-O 3Å; Y171-A183 HydrophobicContact CD1-CB 4.22Å; Y171-A183 HydrophobicContact CD2-CB 4.26Å; Y171-A183 HydrophobicContact CE1-CB 3.95Å; Y171-A183 HydrophobicContact CE2-CB 3.99Å; Y171-A183 HydrophobicContact CG-CB 4.37Å
172	D	92.5	Very high	97.1	Very high	120 Å²	120	42 Å²	42	64%	0.642	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	12.6	-178.5	-158.7	28.1	0	0	0	116.1	L170 K174	L170-D172 PolarHBondContact O-N 3.22Å; D172-K174 PolarHBondContact O-N 3.32Å
173	S	95.6	Very high	96.9	Very high	45 Å²	45	38.2 Å²	38.2	32%	0.315	21%	0.208	S	C	.	.			trans	-69.8	-23.1	178.8	65.3	0	0	0	0	113.3	L170 Y171 V175	L170-S173 PolarHBondContact N-OG 2.64Å; L170-S173 WeakPolarHBondContact O-CB 2.96Å; L170-S173 PolarHBondContact O-N 3.46Å; L170-S173 VanDerWaalsContact O-N 3.12Å; L170-S173 PolarHBondContact O-OG 2.93Å; Y171-S173 PolarHBondContact O-N 3.23Å; S173-V175 PolarHBondContact O-N 2.9Å; S173-V175 VanDerWaalsContact O-N 3.16Å; S173-V175 PolarHBondContact OG-N 2.98Å; S173-V175 VanDerWaalsContact OG-N 3.14Å
174	K	95.6	Very high	96.5	Very high	138 Å²	138	36.5 Å²	36.5	60%	0.6	20%	0.2	S	C	*	.			trans	54.9	23.9	-168	-54.1	175.2	-175.8	173.6	0	112.2	D172 R210	D172-K174 PolarHBondContact O-N 3.32Å; K174-R210 PolarHBondContact O-NE 2.94Å; K174-R210 VanDerWaalsContact O-NE 3.16Å; K174-R210 PolarHBondContact O-NH2 3.4Å
175	V	97.6	Very high	95.8	Very high	60 Å²	60	36.9 Å²	36.9	36%	0.364	20%	0.203	S	C	.	.			trans	-90.9	127.4	176.8	175.7	0	0	0	0	110.2	E131 G168 G169 S173 P179	E131-V175 HydrophobicContact CB-CG1 4.38Å; G168-V175 WeakPolarHBondContact CA-O 3.1Å; G169-V175 PolarHBondContact N-O 3.28Å; S173-V175 PolarHBondContact O-N 2.9Å; S173-V175 VanDerWaalsContact O-N 3.16Å; S173-V175 PolarHBondContact OG-N 2.98Å; S173-V175 VanDerWaalsContact OG-N 3.14Å; V175-P179 WeakPolarHBondContact O-CG 3.37Å
176	G	98.2	Very high	95	Very high	10 Å²	10	37.7 Å²	37.7	10%	0.103	21%	0.207	C	C	.	.	S	Bend	trans	76.9	-174.1	177.8	0	0	0	0	0	115.2	T167 R210 Y213	T167-G176 WeakPolarHBondContact OG1-CA 3.27Å; G176-R210 PolarHBondContact O-NE 2.89Å; G176-Y213 WeakPolarHBondContact O-CD2 3.3Å
177	C	98.8	Very high	93.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-68.1	-51.3	-178.4	172.9	0	0	0	0	112.6	V166 T167 C209 R210 Y213 D220	V166-C177 HydrophobicContact CB-CB 3.91Å; V166-C177 HydrophobicContact CG2-CB 3.9Å; T167-C177 WeakPolarHBondContact O-CA 3.46Å; T167-C177 WeakPolarHBondContact O-CB 3.35Å; T167-C177 PolarHBondContact O-N 3.27Å; T167-C177 PolarHBondContact OG1-N 3.41Å; C177-C209 HydrophobicContact CB-CB 3.85Å; C177-C209 WeakPolarHBondContact CB-SG 3.2Å; C177-C209 WeakPolarHBondContact O-CA 3.05Å; C177-C209 WeakPolarHBondContact SG-CA 3.46Å; C177-C209 WeakPolarHBondContact SG-CB 3.26Å; C177-C209 CovalentContact SG-SG 2.03Å; C177-C209 PolarHBondContact SG-SG 3.06Å; C177-R210 PolarHBondContact O-N 3.38Å; C177-Y213 HydrophobicContact CB-CD1 3.89Å; C177-Y213 HydrophobicContact CB-CE1 3.61Å; C177-D220 HydrophobicContact CB-CB 4.26Å; C177-D220 WeakPolarHBondContact CB-OD2 3.48Å
178	R	98.6	Very high	92.5	Very high	17 Å²	17	37.7 Å²	37.7	6%	0.064	21%	0.207	C	C	.	.	S	Bend	trans	-129	81.9	-179	-65.6	-167.5	71.2	-157.8	-2.6	111.2	S133 E135 D136 T139 C140 V166 T167 G168 V206	S133-R178 WeakPolarHBondContact CB-O 3.49Å; S133-R178 PolarHBondContact OG-O 3.43Å; E135-R178 HydrophobicContact CB-CB 4.44Å; E135-R178 HydrophobicContact CG-CB 4.49Å; E135-R178 IonicContact OE1-NH2 3.72Å; D136-R178 IonicContact OD1-NH1 2.79Å; D136-R178 PolarHBondContact OD1-NH1 3.09Å; T139-R178 PolarHBondContact OG1-NH1 3.05Å; T139-R178 PolarHBondContact OG1-NH2 3.02Å; C140-R178 PolarHBondContact SG-NH1 3.47Å; C140-R178 VanDerWaalsContact SG-NH1 3.35Å; V166-R178 HydrophobicContact CG2-CB 4.01Å; V166-R178 HydrophobicContact CG2-CG 3.93Å; T167-R178 PolarHBondContact O-N 3.43Å; G168-R178 WeakPolarHBondContact CA-O 3.44Å; R178-V206 VanDerWaalsContact CD-O 3.27Å; R178-V206 WeakPolarHBondContact CD-O 3.3Å; R178-V206 PolarHBondContact NE-O 2.79Å; R178-V206 VanDerWaalsContact NE-O 3.08Å; R178-V206 PolarHBondContact NH1-O 2.94Å; R178-V206 VanDerWaalsContact NH1-O 3.14Å
179	P	98.4	Very high	91.1	Very high	20 Å²	20	39.6 Å²	39.6	13%	0.13	22%	0.218	C	C	.	.			trans	-58	154.4	168.2	-13.1	23.7	0	0	0	111.3	G169 V175	G169-P179 WeakPolarHBondContact O-CA 3.29Å; V175-P179 WeakPolarHBondContact O-CG 3.37Å
180	Y	98.4	Very high	89.7	Confident	10 Å²	10	47.1 Å²	47.1	4%	0.039	26%	0.258	C	S	.	.			trans	-59.1	136.8	177.9	-159.2	-124.6	0	0	0	112	Q101 S106 F110 A134 E135 L138 G169 Y171 I182	Q101-Y180 PolarHBondContact O-OH 3.49Å; S106-Y180 PolarHBondContact OG-OH 3.27Å; F110-Y180 HydrophobicContact CE2-CD2 4.24Å; F110-Y180 HydrophobicContact CE2-CE1 4.1Å; F110-Y180 AromaticContact CE2-CE2 3.65Å; F110-Y180 HydrophobicContact CE2-CE2 3.65Å; F110-Y180 AromaticContact CE2-CZ 3.58Å; F110-Y180 AromaticContact CZ-CD1 3.96Å; F110-Y180 HydrophobicContact CZ-CD1 3.96Å; F110-Y180 HydrophobicContact CZ-CD2 4.09Å; F110-Y180 AromaticContact CZ-CE1 3.71Å; F110-Y180 HydrophobicContact CZ-CE1 3.71Å; F110-Y180 AromaticContact CZ-CE2 3.86Å; F110-Y180 HydrophobicContact CZ-CE2 3.86Å; F110-Y180 HydrophobicContact CZ-CG 4.14Å; F110-Y180 AromaticContact CZ-CZ 3.68Å; A134-Y180 HydrophobicContact CB-CD2 4.13Å; A134-Y180 HydrophobicContact CB-CE2 4.38Å; E135-Y180 HydrophobicContact CB-CD2 4.31Å; E135-Y180 WeakPolarHBondContact OE2-CD2 3.43Å; L138-Y180 HydrophobicContact CD2-CE2 3.76Å; G169-Y180 PolarHBondContact O-N 2.81Å; Y171-Y180 VanDerWaalsContact CA-O 3.3Å; Y171-Y180 WeakPolarHBondContact CA-O 2.93Å; Y180-I182 HydrophobicContact CD1-CB 4.19Å; Y180-I182 VanDerWaalsContact CD1-O 3.24Å; Y180-I182 WeakPolarHBondContact CD1-O 3.42Å; Y180-I182 HydrophobicContact CE1-CB 3.57Å; Y180-I182 HydrophobicContact CE1-CD1 4.4Å; Y180-I182 HydrophobicContact CE1-CG1 4.48Å; Y180-I182 HydrophobicContact CE1-CG2 4.27Å; Y180-I182 HydrophobicContact CE2-CD1 4.36Å; Y180-I182 WeakPolarHBondContact OH-CD1 3.35Å
181	T	96.9	Very high	88.5	Confident	76 Å²	76	46.4 Å²	46.4	47%	0.466	27%	0.265	S	S	.	.			trans	-100.6	-17	-174.7	63.6	0	0	0	0	114.1	E135 Y171	E135-T181 HydrophobicContact CG-CG2 4.27Å; E135-T181 VanDerWaalsContact OE1-CG2 3.22Å; E135-T181 WeakPolarHBondContact OE1-CG2 3.14Å; E135-T181 PolarHBondContact OE1-OG1 2.87Å; E135-T181 PolarHBondContact OE2-N 3.11Å; E135-T181 PolarHBondContact OE2-OG1 3.39Å; E135-T181 VanDerWaalsContact OE2-OG1 3.1Å; Y171-T181 WeakPolarHBondContact CD2-O 3.36Å; Y171-T181 WeakPolarHBondContact CE2-O 3Å
182	I	95.3	Very high	87.6	Confident	14 Å²	14	47.5 Å²	47.5	7%	0.072	28%	0.284	C	S	.	.	S	Bend	trans	-83.3	126.8	176.3	-62	156.6	0	0	0	108.4	C104 L138 Y180 T200 P203	C104-I182 HydrophobicContact CB-CD1 3.7Å; L138-I182 HydrophobicContact CD2-CD1 4.03Å; Y180-I182 HydrophobicContact CD1-CB 4.19Å; Y180-I182 VanDerWaalsContact CD1-O 3.24Å; Y180-I182 WeakPolarHBondContact CD1-O 3.42Å; Y180-I182 HydrophobicContact CE1-CB 3.57Å; Y180-I182 HydrophobicContact CE1-CD1 4.4Å; Y180-I182 HydrophobicContact CE1-CG1 4.48Å; Y180-I182 HydrophobicContact CE1-CG2 4.27Å; Y180-I182 HydrophobicContact CE2-CD1 4.36Å; Y180-I182 WeakPolarHBondContact OH-CD1 3.35Å; I182-T200 HydrophobicContact CG1-CG2 4.35Å; I182-P203 HydrophobicContact CD1-CG 3.98Å; I182-P203 HydrophobicContact CG1-CG 4.05Å
183	A	91.6	Very high	87	Confident	42 Å²	42	44.8 Å²	44.8	35%	0.347	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-67.9	140.7	-175.6	0	0	0	0	0	111.7	Y171	Y171-A183 HydrophobicContact CD1-CB 4.22Å; Y171-A183 HydrophobicContact CD2-CB 4.26Å; Y171-A183 HydrophobicContact CE1-CB 3.95Å; Y171-A183 HydrophobicContact CE2-CB 3.99Å; Y171-A183 HydrophobicContact CG-CB 4.37Å
184	A	87.8	Confident	86.2	Confident	28 Å²	28	46.8 Å²	46.8	23%	0.231	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-61.4	142.4	165.5	0	0	0	0	0	109.7	D100	D100-A184 HydrophobicContact CB-CB 4.12Å; D100-A184 VanDerWaalsContact OD2-CA 3.28Å; D100-A184 WeakPolarHBondContact OD2-CA 3.5Å; D100-A184 WeakPolarHBondContact OD2-CB 3.34Å
185	C	82.3	Confident	85.3	Confident	8 Å²	8	44.8 Å²	44.8	5%	0.054	28%	0.278	C	S	.	.			trans	-144.4	163	-176.6	66.4	0	0	0	0	110.9	D100 H187 P194 C196 N303	D100-C185 PolarHBondContact OD2-N 2.7Å; C185-H187 PolarHBondContact O-CD2 2.74Å; C185-H187 PolarHBondContact O-N 3.47Å; C185-P194 CarbonylContact C-O 3.6Å; C185-P194 VanDerWaalsContact CA-O 3.3Å; C185-P194 WeakPolarHBondContact CA-O 3.33Å; C185-P194 WeakPolarHBondContact CB-O 3.33Å; C185-C196 HydrophobicContact CB-CB 3.9Å; C185-C196 WeakPolarHBondContact CB-SG 3.44Å; C185-C196 VanDerWaalsContact SG-CA 3.54Å; C185-C196 WeakPolarHBondContact SG-CB 3.42Å; C185-C196 CovalentContact SG-SG 2.02Å; C185-C196 PolarHBondContact SG-SG 3.12Å; C185-N303 PolarHBondContact O-ND2 3.1Å
186	E	82.1	Confident	84.3	Confident	16 Å²	16	43.3 Å²	43.3	8%	0.075	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-79.6	98.3	176.3	-65.7	-55.6	167.4	0	0	110.5	H188 V189 G191 T192 R193 P194 C196	E186-H188 VanDerWaalsContact C-N 3.28Å; E186-V189 VanDerWaalsContact CB-O 3.29Å; E186-V189 WeakPolarHBondContact CB-O 3.31Å; E186-G191 WeakPolarHBondContact OE1-CA 3.33Å; E186-T192 PolarHBondContact OE1-N 2.88Å; E186-R193 HydrophobicContact CG-CB 3.85Å; E186-R193 VanDerWaalsContact CG-O 3.26Å; E186-R193 WeakPolarHBondContact CG-O 3.17Å; E186-R193 WeakPolarHBondContact OE1-CB 3.36Å; E186-R193 WeakPolarHBondContact OE1-CG 3.39Å; E186-R193 PolarHBondContact OE1-N 2.81Å; E186-R193 IonicContact OE1-NH1 3.51Å; E186-R193 IonicContact OE2-NH1 3.02Å; E186-P194 PolarHBondContact N-O 2.91Å; E186-C196 PolarHBondContact O-SG 3.44Å
187	H	73.9	Confident	83	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.301	C	S	.	.	S	Bend	trans	-72.7	-25.2	178.6	-61.3	-99.2	0	0	0	112.7	F46 V49 Y53 D100 G102 C185 C196	F46-H187 WeakPolarHBondContact CD1-O 3.17Å; F46-H187 WeakPolarHBondContact CE1-O 3.33Å; V49-H187 WeakPolarHBondContact CG2-O 3.41Å; Y53-H187 AromaticContact CZ-ND1 3.79Å; Y53-H187 PolarHBondContact OH-CE1 3.31Å; Y53-H187 VanDerWaalsContact OH-CE1 3.24Å; Y53-H187 PolarHBondContact OH-ND1 3.01Å; D100-H187 IonicContact OD1-CD2 2.98Å; D100-H187 IonicContact OD1-CE1 3.12Å; D100-H187 IonicContact OD1-NE2 3.89Å; D100-H187 PolarHBondContact OD1-NE2 2.92Å; D100-H187 IonicContact OD2-NE2 2.75Å; G102-H187 PolarHBondContact O-CE1 2.98Å; G102-H187 VanDerWaalsContact O-CE1 3.31Å; C185-H187 PolarHBondContact O-CD2 2.74Å; C185-H187 PolarHBondContact O-N 3.47Å; H187-C196 PolarHBondContact N-SG 3.14Å; H187-C196 VanDerWaalsContact N-SG 3.4Å
188	H	71.3	Confident	81.8	Confident	5 Å²	5	52.9 Å²	52.9	2%	0.023	33%	0.326	C	S	.	.	S	Bend	trans	-128.9	-66	-157	-52.8	-42.9	0	0	0	111.2	N45 F46 H47 E186 W302 W306	N45-H188 HydrophobicContact CB-CB 4.27Å; N45-H188 CarbonylContact O-C 3.58Å; N45-H188 VanDerWaalsContact O-CA 3.24Å; N45-H188 WeakPolarHBondContact O-CA 3.31Å; N45-H188 WeakPolarHBondContact O-CB 3.21Å; F46-H188 CarbonylContact C-O 3.6Å; F46-H188 WeakPolarHBondContact CA-O 3.3Å; F46-H188 AromaticContact CD1-ND1 3.27Å; F46-H188 VanDerWaalsContact CD1-ND1 3.27Å; F46-H188 WeakPolarHBondContact CD1-ND1 3.34Å; F46-H188 AromaticContact CD2-ND1 3.37Å; F46-H188 WeakPolarHBondContact CD2-ND1 3.48Å; F46-H188 AromaticContact CE1-CE1 3.29Å; F46-H188 WeakPolarHBondContact CE1-CE1 3.48Å; F46-H188 AromaticContact CE1-ND1 3Å; F46-H188 WeakPolarHBondContact CE1-ND1 3.42Å; F46-H188 AromaticContact CE2-CE1 3.36Å; F46-H188 WeakPolarHBondContact CE2-CE1 3.44Å; F46-H188 AromaticContact CE2-ND1 3.1Å; F46-H188 WeakPolarHBondContact CE2-ND1 3.19Å; F46-H188 AromaticContact CG-ND1 3.48Å; F46-H188 WeakPolarHBondContact CG-ND1 3.28Å; F46-H188 AromaticContact CZ-CE1 2.93Å; F46-H188 WeakPolarHBondContact CZ-CE1 3.48Å; F46-H188 AromaticContact CZ-ND1 2.96Å; F46-H188 WeakPolarHBondContact CZ-ND1 3.47Å; H47-H188 WeakPolarHBondContact CB-O 3.29Å; H47-H188 PolarHBondContact CD2-O 2.84Å; H47-H188 VanDerWaalsContact CD2-O 3.29Å; H47-H188 PolarHBondContact N-O 2.89Å; E186-H188 VanDerWaalsContact C-N 3.28Å; H188-W302 AromaticContact CE1-CE3 3.81Å; H188-W302 WeakPolarHBondContact NE2-CB 3.37Å; H188-W302 AromaticContact NE2-CE3 3.99Å; H188-W306 VanDerWaalsContact CD2-CB 3.45Å; H188-W306 WeakPolarHBondContact CD2-CB 3.19Å; H188-W306 AromaticContact CD2-CD1 3.49Å; H188-W306 VanDerWaalsContact CD2-CD1 3.49Å; H188-W306 AromaticContact CD2-CG 3.81Å; H188-W306 AromaticContact CE1-CD1 3.57Å; H188-W306 AromaticContact CG-CD1 3.95Å; H188-W306 AromaticContact ND1-CD1 3.99Å; H188-W306 WeakPolarHBondContact NE2-CB 3.36Å; H188-W306 AromaticContact NE2-CD1 3.21Å; H188-W306 AromaticContact NE2-CG 3.5Å
189	V	69.4	Low	80.7	Confident	40 Å²	40	56.6 Å²	56.6	24%	0.242	34%	0.344	C	S	.	.	S	Bend	trans	-119.2	159.3	-173.8	-62.2	0	0	0	0	110.6	N45 E186 G191	N45-V189 WeakPolarHBondContact O-CG1 3.47Å; N45-V189 PolarHBondContact O-N 2.91Å; E186-V189 VanDerWaalsContact CB-O 3.29Å; E186-V189 WeakPolarHBondContact CB-O 3.31Å; V189-G191 PolarHBondContact O-N 2.7Å; V189-G191 VanDerWaalsContact O-N 3.1Å
190	N	68.1	Low	80.1	Confident	160 Å²	160	58.1 Å²	58.1	86%	0.856	35%	0.353	S	S	*	.	S	Bend	trans	-63	117.6	165.1	-76.4	-15.6	0	0	0	109
191	G	72.3	Confident	79.9	Confident	47 Å²	47	64.5 Å²	64.5	49%	0.485	38%	0.383	S	S	.	.			trans	-131.8	-143.7	177.9	0	0	0	0	0	111.5	E186 V189	E186-G191 WeakPolarHBondContact OE1-CA 3.33Å; V189-G191 PolarHBondContact O-N 2.7Å; V189-G191 VanDerWaalsContact O-N 3.1Å
192	T	75.9	Confident	80	Confident	141 Å²	141	63.1 Å²	63.1	87%	0.865	37%	0.374	S	S	*	.	S	Bend	trans	-95.5	-13.7	-176.8	57.2	0	0	0	0	113	E186	E186-T192 PolarHBondContact OE1-N 2.88Å
193	R	79.8	Confident	80.1	Confident	64 Å²	64	63.9 Å²	63.9	24%	0.242	38%	0.38	C	S	.	.	S	Bend	trans	-89.1	162.3	179.1	-51	-178.2	-172.2	86.1	-0.5	110.9	E186 N303 N304 D305	E186-R193 HydrophobicContact CG-CB 3.85Å; E186-R193 VanDerWaalsContact CG-O 3.26Å; E186-R193 WeakPolarHBondContact CG-O 3.17Å; E186-R193 WeakPolarHBondContact OE1-CB 3.36Å; E186-R193 WeakPolarHBondContact OE1-CG 3.39Å; E186-R193 PolarHBondContact OE1-N 2.81Å; E186-R193 IonicContact OE1-NH1 3.51Å; E186-R193 IonicContact OE2-NH1 3.02Å; R193-N303 PolarHBondContact NH1-ND2 2.66Å; R193-N303 VanDerWaalsContact NH1-ND2 3.17Å; R193-N304 PolarHBondContact NH2-OD1 2.97Å; R193-D305 IonicContact CZ-OD2 3.81Å; R193-D305 IonicContact NH1-OD2 2.62Å; R193-D305 PolarHBondContact NH1-OD2 3.37Å; R193-D305 IonicContact NH2-OD2 3.05Å
194	P	77.3	Confident	80.4	Confident	86 Å²	86	70.5 Å²	70.5	56%	0.558	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-62.4	150.6	171.6	-20.7	33.6	0	0	0	111.4	C185 E186	C185-P194 CarbonylContact C-O 3.6Å; C185-P194 VanDerWaalsContact CA-O 3.3Å; C185-P194 WeakPolarHBondContact CA-O 3.33Å; C185-P194 WeakPolarHBondContact CB-O 3.33Å; E186-P194 PolarHBondContact N-O 2.91Å
195	P	78.3	Confident	80.9	Confident	97 Å²	97	71.7 Å²	71.7	63%	0.63	41%	0.407	S	S	*	.	B	Isolated β-bridge	trans	-62.8	139.9	172.5	27.9	-34	0	0	0	109.9	Q197	P195-Q197 PolarHBondContact O-N 3.49Å
196	C	75.9	Confident	81.7	Confident	28 Å²	28	74.8 Å²	74.8	19%	0.189	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-64.9	133.5	176.5	-59.3	0	0	0	0	110.8	Y53 C185 E186 H187	Y53-C196 HydrophobicContact CD2-CB 4.43Å; Y53-C196 HydrophobicContact CE1-CB 4.05Å; Y53-C196 HydrophobicContact CE2-CB 3.59Å; Y53-C196 WeakPolarHBondContact OH-CB 3.49Å; Y53-C196 PolarHBondContact OH-SG 2.71Å; C185-C196 HydrophobicContact CB-CB 3.9Å; C185-C196 WeakPolarHBondContact CB-SG 3.44Å; C185-C196 VanDerWaalsContact SG-CA 3.54Å; C185-C196 WeakPolarHBondContact SG-CB 3.42Å; C185-C196 CovalentContact SG-SG 2.02Å; C185-C196 PolarHBondContact SG-SG 3.12Å; E186-C196 PolarHBondContact O-SG 3.44Å; H187-C196 PolarHBondContact N-SG 3.14Å; H187-C196 VanDerWaalsContact N-SG 3.4Å
197	Q	71.2	Confident	82.4	Confident	161 Å²	161	80.6 Å²	80.6	75%	0.752	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-97.7	168	168	-60.2	-175	4.7	0	0	107.8	S103 P195	S103-Q197 VanDerWaalsContact CB-O 3.25Å; S103-Q197 WeakPolarHBondContact CB-O 3.31Å; S103-Q197 PolarHBondContact OG-O 2.78Å; P195-Q197 PolarHBondContact O-N 3.49Å
198	G	72.6	Confident	83.6	Confident	50 Å²	50	86.5 Å²	86.5	52%	0.515	48%	0.481	S	S	.	.	S	Bend	trans	-52	-179.1	-175.1	0	0	0	0	0	115	S103 T200	S103-G198 WeakPolarHBondContact CB-O 3.5Å; G198-T200 PolarHBondContact O-N 2.93Å
199	E	76.2	Confident	84.9	Confident	95 Å²	95	87 Å²	87	44%	0.444	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-51.6	132.2	-176	-165.7	168.8	-146.3	0	0	112.5	F149	F149-E199 HydrophobicContact CD1-CG 4.12Å; F149-E199 VanDerWaalsContact CD1-OE1 3.29Å; F149-E199 WeakPolarHBondContact CD1-OE1 3.24Å; F149-E199 WeakPolarHBondContact CD1-OE2 3.4Å; F149-E199 HydrophobicContact CE1-CG 3.84Å; F149-E199 VanDerWaalsContact CE1-OE2 3.3Å; F149-E199 WeakPolarHBondContact CE1-OE2 3.37Å
200	T	86.7	Confident	86.2	Confident	53 Å²	53	89.3 Å²	89.3	33%	0.325	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-94.8	139.9	-177.4	-59.6	0	0	0	0	110.6	S103 C148 I182 G198	S103-T200 WeakPolarHBondContact CB-OG1 3.48Å; S103-T200 WeakPolarHBondContact O-CB 3.39Å; S103-T200 PolarHBondContact O-N 3.19Å; S103-T200 PolarHBondContact O-OG1 3.44Å; C148-T200 WeakPolarHBondContact CB-O 3.46Å; I182-T200 HydrophobicContact CG1-CG2 4.35Å; G198-T200 PolarHBondContact O-N 2.93Å
201	E	93.9	Very high	87.6	Confident	144 Å²	144	88.5 Å²	88.5	67%	0.673	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-61.3	145	173.2	-71.6	-66.1	159.8	0	0	111.9	P203	E201-P203 WeakPolarHBondContact O-CD 3.46Å
202	T	97.5	Very high	88.7	Confident	46 Å²	46	90.2 Å²	90.2	28%	0.282	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-64.9	124.6	178	-52.4	0	0	0	0	110	L138 G147 C148	L138-T202 HydrophobicContact CD1-CG2 4.32Å; L138-T202 HydrophobicContact CG-CG2 4.29Å; G147-T202 WeakPolarHBondContact CA-OG1 3.42Å; C148-T202 PolarHBondContact N-OG1 3.32Å
203	P	97.6	Very high	89.8	Confident	31 Å²	31	86 Å²	86	20%	0.201	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-61.2	154.6	174.9	-19.3	30.5	0	0	0	111.5	T139 I182 E201	T139-P203 WeakPolarHBondContact CB-O 3.25Å; T139-P203 HydrophobicContact CG2-CB 3.78Å; T139-P203 HydrophobicContact CG2-CG 4.24Å; T139-P203 VanDerWaalsContact CG2-O 3.27Å; T139-P203 WeakPolarHBondContact CG2-O 3.23Å; I182-P203 HydrophobicContact CD1-CG 3.98Å; I182-P203 HydrophobicContact CG1-CG 4.05Å; E201-P203 WeakPolarHBondContact O-CD 3.46Å
204	K	98.1	Very high	90.6	Very high	181 Å²	181	88.8 Å²	88.8	79%	0.787	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-71.6	144.6	179.8	-65.5	-174.5	178.3	-178.1	0	111.2	V206	K204-V206 PolarHBondContact O-N 3.16Å
205	C	98.4	Very high	91.6	Very high	53 Å²	53	86.8 Å²	86.8	36%	0.358	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-57.9	123.1	167.1	-177.9	0	0	0	0	110.4	T139 C140	T139-C205 WeakPolarHBondContact O-CB 3.23Å; C140-C205 HydrophobicContact CB-CB 3.97Å; C140-C205 WeakPolarHBondContact CB-SG 3.41Å; C140-C205 VanDerWaalsContact SG-CA 3.52Å; C140-C205 WeakPolarHBondContact SG-CB 3.16Å; C140-C205 CovalentContact SG-SG 2.04Å; C140-C205 PolarHBondContact SG-SG 3.12Å
206	V	98.3	Very high	92.5	Very high	72 Å²	72	85 Å²	85	44%	0.436	47%	0.472	S	S	.	.			trans	-124.5	108.8	173.3	176.9	0	0	0	0	108.2	R178 K204 Q208	R178-V206 VanDerWaalsContact CD-O 3.27Å; R178-V206 WeakPolarHBondContact CD-O 3.3Å; R178-V206 PolarHBondContact NE-O 2.79Å; R178-V206 VanDerWaalsContact NE-O 3.08Å; R178-V206 PolarHBondContact NH1-O 2.94Å; R178-V206 VanDerWaalsContact NH1-O 3.14Å; K204-V206 PolarHBondContact O-N 3.16Å; V206-Q208 HydrophobicContact CG1-CB 3.95Å; V206-Q208 PolarHBondContact O-N 2.82Å
207	Q	98.3	Very high	93.6	Very high	139 Å²	139	84.4 Å²	84.4	65%	0.65	47%	0.466	S	S	*	.			trans	-84.1	49.9	-179.5	-62.1	-170.6	-10.7	0	0	112.1	Y217	Q207-Y217 VanDerWaalsContact C-CG 3.49Å; Q207-Y217 HydrophobicContact CB-CD1 3.87Å; Q207-Y217 HydrophobicContact CB-CE1 3.59Å; Q207-Y217 HydrophobicContact CB-CG 4.45Å; Q207-Y217 HydrophobicContact CG-CE1 3.84Å
208	Q	98.4	Very high	94.9	Very high	124 Å²	124	81.3 Å²	81.3	58%	0.579	46%	0.46	S	S	*	.	S	Bend	trans	-144.9	139.1	-178.8	-170.9	179.7	-11.6	0	0	109.4	V206	V206-Q208 HydrophobicContact CG1-CB 3.95Å; V206-Q208 PolarHBondContact O-N 2.82Å
209	C	98.6	Very high	96.1	Very high	14 Å²	14	86.8 Å²	86.8	10%	0.095	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-75.7	156.8	172	-57.7	0	0	0	0	110.9	C177 Y213 Y217	C177-C209 HydrophobicContact CB-CB 3.85Å; C177-C209 WeakPolarHBondContact CB-SG 3.2Å; C177-C209 WeakPolarHBondContact O-CA 3.05Å; C177-C209 WeakPolarHBondContact SG-CA 3.46Å; C177-C209 WeakPolarHBondContact SG-CB 3.26Å; C177-C209 CovalentContact SG-SG 2.03Å; C177-C209 PolarHBondContact SG-SG 3.06Å; C209-Y213 HydrophobicContact CB-CD1 3.75Å; C209-Y213 HydrophobicContact CB-CG 4.37Å; C209-Y217 WeakPolarHBondContact SG-CA 3.16Å; C209-Y217 PolarHBondContact SG-N 3.18Å
210	R	97.8	Very high	97.2	Very high	90 Å²	90	82.6 Å²	82.6	34%	0.34	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-54.4	151	171	69	-178.3	-173.7	81.1	-0.9	112	K174 G176 C177 Y213	K174-R210 PolarHBondContact O-NE 2.94Å; K174-R210 VanDerWaalsContact O-NE 3.16Å; K174-R210 PolarHBondContact O-NH2 3.4Å; G176-R210 PolarHBondContact O-NE 2.89Å; C177-R210 PolarHBondContact O-N 3.38Å; R210-Y213 WeakPolarHBondContact O-CB 3.28Å; R210-Y213 PolarHBondContact O-N 2.92Å
211	D	96.8	Very high	97.7	Very high	142 Å²	142	81.3 Å²	81.3	76%	0.759	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	141.3	176	-67.4	-29	0	0	0	111.7	Y213	D211-Y213 PolarHBondContact O-N 3.25Å
212	G	96.1	Very high	97.9	Very high	84 Å²	84	76.8 Å²	76.8	87%	0.866	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	5.1	-177.4	0	0	0	0	0	115
213	Y	98.1	Very high	97.9	Very high	51 Å²	51	78.3 Å²	78.3	20%	0.2	42%	0.422	C	S	.	.			trans	-91.5	148.4	169.8	-174.2	-95.7	0	0	0	111.7	T167 G176 C177 C209 R210 D211 P215 D220	T167-Y213 PolarHBondContact OG1-OH 2.02Å; G176-Y213 WeakPolarHBondContact O-CD2 3.3Å; C177-Y213 HydrophobicContact CB-CD1 3.89Å; C177-Y213 HydrophobicContact CB-CE1 3.61Å; C209-Y213 HydrophobicContact CB-CD1 3.75Å; C209-Y213 HydrophobicContact CB-CG 4.37Å; R210-Y213 WeakPolarHBondContact O-CB 3.28Å; R210-Y213 PolarHBondContact O-N 2.92Å; D211-Y213 PolarHBondContact O-N 3.25Å; Y213-P215 VanDerWaalsContact CD1-O 3.27Å; Y213-P215 WeakPolarHBondContact CD1-O 2.94Å; Y213-P215 WeakPolarHBondContact CE1-O 3.36Å; Y213-D220 HydrophobicContact CE1-CB 4.4Å; Y213-D220 WeakPolarHBondContact CE1-OD1 3.34Å; Y213-D220 PolarHBondContact OH-OD1 2.65Å
214	T	96.6	Very high	97.7	Very high	124 Å²	124	77 Å²	77	76%	0.761	41%	0.414	S	S	*	.	S	Bend	trans	-145.5	136.5	171.1	-67.7	0	0	0	0	106.5
215	P	97.8	Very high	97.1	Very high	44 Å²	44	75.2 Å²	75.2	29%	0.286	40%	0.402	S	S	.	.	S	Bend	cis	-80.3	-179	13.2	35.1	-38.1	0	0	0	115.3	Y213 K219 D220	Y213-P215 VanDerWaalsContact CD1-O 3.27Å; Y213-P215 WeakPolarHBondContact CD1-O 2.94Å; Y213-P215 WeakPolarHBondContact CE1-O 3.36Å; P215-K219 HydrophobicContact CB-CB 3.81Å; P215-K219 HydrophobicContact CG-CB 4.38Å; P215-D220 HydrophobicContact CG-CB 4Å; P215-D220 WeakPolarHBondContact CG-OD1 3.4Å
216	S	98.5	Very high	95.8	Very high	60 Å²	60	75 Å²	75	42%	0.42	41%	0.408	S	S	.	.			trans	-70.4	158	175.1	60.5	0	0	0	0	111.8	K219 D220	S216-K219 CarbonylContact O-C 3.56Å; S216-K219 WeakPolarHBondContact O-CA 3.35Å; S216-K219 WeakPolarHBondContact O-CB 3.42Å; S216-K219 PolarHBondContact O-N 2.65Å; S216-K219 WeakPolarHBondContact OG-CD 3.3Å; S216-K219 WeakPolarHBondContact OG-CG 3.44Å; S216-D220 PolarHBondContact O-N 3.16Å
217	Y	98.7	Very high	94.1	Very high	15 Å²	15	78.4 Å²	78.4	6%	0.059	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-46.4	-51.5	-177.2	174.1	-87.8	0	0	0	114.8	D136 V166 Q207 C209 K219 D220 K221	D136-Y217 VanDerWaalsContact OD1-CE2 3.24Å; D136-Y217 WeakPolarHBondContact OD1-CE2 3.23Å; D136-Y217 PolarHBondContact OD1-OH 3.06Å; V166-Y217 HydrophobicContact CB-CD2 4.45Å; V166-Y217 HydrophobicContact CB-CE2 4.49Å; V166-Y217 HydrophobicContact CG1-CD2 3.54Å; V166-Y217 HydrophobicContact CG1-CE2 3.61Å; V166-Y217 HydrophobicContact CG1-CG 4.11Å; V166-Y217 WeakPolarHBondContact CG1-O 3.28Å; V166-Y217 HydrophobicContact CG2-CD2 4.18Å; V166-Y217 HydrophobicContact CG2-CE2 4.05Å; Q207-Y217 VanDerWaalsContact C-CG 3.49Å; Q207-Y217 HydrophobicContact CB-CD1 3.87Å; Q207-Y217 HydrophobicContact CB-CE1 3.59Å; Q207-Y217 HydrophobicContact CB-CG 4.45Å; Q207-Y217 HydrophobicContact CG-CE1 3.84Å; C209-Y217 WeakPolarHBondContact SG-CA 3.16Å; C209-Y217 PolarHBondContact SG-N 3.18Å; Y217-K219 PolarHBondContact O-N 3.03Å; Y217-D220 PolarHBondContact O-N 2.88Å; Y217-K221 VanDerWaalsContact OH-CE 3.25Å; Y217-K221 WeakPolarHBondContact OH-CE 3.48Å; Y217-K221 PolarHBondContact OH-NZ 3.15Å
218	P	98.4	Very high	93.1	Very high	96 Å²	96	80.9 Å²	80.9	62%	0.623	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-65.8	-25.3	178.8	-22	34.3	0	0	0	114.4
219	K	98.4	Very high	92.9	Very high	165 Å²	165	75.3 Å²	75.3	72%	0.717	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-86.8	-16.8	-179.5	-70.7	-176.9	179.6	-179.5	0	112.6	P215 S216 Y217 K221	P215-K219 HydrophobicContact CB-CB 3.81Å; P215-K219 HydrophobicContact CG-CB 4.38Å; S216-K219 CarbonylContact O-C 3.56Å; S216-K219 WeakPolarHBondContact O-CA 3.35Å; S216-K219 WeakPolarHBondContact O-CB 3.42Å; S216-K219 PolarHBondContact O-N 2.65Å; S216-K219 WeakPolarHBondContact OG-CD 3.3Å; S216-K219 WeakPolarHBondContact OG-CG 3.44Å; Y217-K219 PolarHBondContact O-N 3.03Å; K219-K221 VanDerWaalsContact C-N 3.34Å
220	D	98.6	Very high	92.9	Very high	7 Å²	7	75.7 Å²	75.7	4%	0.037	40%	0.397	C	S	.	.	S	Bend	trans	-90.4	-0.2	176.8	-157.3	68.4	0	0	0	112.5	V166 T167 C177 Y213 P215 S216 Y217 H222	V166-D220 WeakPolarHBondContact CA-O 3.36Å; V166-D220 HydrophobicContact CB-CB 4.18Å; V166-D220 HydrophobicContact CG1-CB 4.1Å; T167-D220 WeakPolarHBondContact CB-OD2 3.17Å; T167-D220 WeakPolarHBondContact CG2-OD2 3.14Å; T167-D220 PolarHBondContact N-OD2 3.37Å; T167-D220 PolarHBondContact OG1-OD2 2.9Å; C177-D220 HydrophobicContact CB-CB 4.26Å; C177-D220 WeakPolarHBondContact CB-OD2 3.48Å; Y213-D220 HydrophobicContact CE1-CB 4.4Å; Y213-D220 WeakPolarHBondContact CE1-OD1 3.34Å; Y213-D220 PolarHBondContact OH-OD1 2.65Å; P215-D220 HydrophobicContact CG-CB 4Å; P215-D220 WeakPolarHBondContact CG-OD1 3.4Å; S216-D220 PolarHBondContact O-N 3.16Å; Y217-D220 PolarHBondContact O-N 2.88Å; D220-H222 PolarHBondContact O-CD2 3.24Å; D220-H222 PolarHBondContact O-N 3.14Å; D220-H222 PolarHBondContact O-NE2 2.81Å
221	K	98	Very high	92.9	Very high	25 Å²	25	72 Å²	72	11%	0.109	39%	0.386	C	S	.	.			trans	-70.6	128.2	-178.9	-74.5	-74.1	-175.3	-179.4	0	111.4	D136 G164 V166 Y217 K219 F223	D136-K221 IonicContact OD1-NZ 3.81Å; D136-K221 IonicContact OD2-NZ 3.5Å; D136-K221 PolarHBondContact OD2-NZ 2.9Å; G164-K221 VanDerWaalsContact C-CD 3.47Å; G164-K221 WeakPolarHBondContact O-CD 3.4Å; G164-K221 PolarHBondContact O-NZ 2.91Å; V166-K221 HydrophobicContact CG1-CD 3.69Å; V166-K221 HydrophobicContact CG1-CG 3.97Å; Y217-K221 VanDerWaalsContact OH-CE 3.25Å; Y217-K221 WeakPolarHBondContact OH-CE 3.48Å; Y217-K221 PolarHBondContact OH-NZ 3.15Å; K219-K221 VanDerWaalsContact C-N 3.34Å; K221-F223 HydrophobicContact CB-CD2 4.49Å; K221-F223 HydrophobicContact CB-CE2 3.58Å; K221-F223 HydrophobicContact CB-CZ 3.69Å; K221-F223 HydrophobicContact CG-CZ 4.5Å; K221-F223 WeakPolarHBondContact O-CE2 3.48Å
222	H	97.3	Very high	92.9	Very high	49 Å²	49	65.5 Å²	65.5	23%	0.227	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-108.9	137	171.5	-64.2	-81.7	0	0	0	110.1	L130 I132 W160 G164 L165 D220	L130-H222 WeakPolarHBondContact CD1-CE1 3.02Å; L130-H222 WeakPolarHBondContact CD1-NE2 3.27Å; I132-H222 HydrophobicContact CD1-CB 4.11Å; W160-H222 VanDerWaalsContact CD1-O 3.23Å; W160-H222 PolarHBondContact NE1-O 2.72Å; G164-H222 CarbonylContact C-O 3.41Å; G164-H222 WeakPolarHBondContact CA-O 3.45Å; L165-H222 PolarHBondContact N-O 3.31Å; L165-H222 PolarHBondContact O-N 2.76Å; D220-H222 PolarHBondContact O-CD2 3.24Å; D220-H222 PolarHBondContact O-N 3.14Å; D220-H222 PolarHBondContact O-NE2 2.81Å
223	F	96.9	Very high	93	Very high	78 Å²	78	61.9 Å²	61.9	34%	0.342	31%	0.312	S	S	.	.			trans	-121.3	152.7	-171.2	-60.6	-95.6	0	0	0	111.5	T163 K221 L333	T163-F223 VanDerWaalsContact C-CE1 3.47Å; T163-F223 WeakPolarHBondContact O-CE1 3.29Å; K221-F223 HydrophobicContact CB-CD2 4.49Å; K221-F223 HydrophobicContact CB-CE2 3.58Å; K221-F223 HydrophobicContact CB-CZ 3.69Å; K221-F223 HydrophobicContact CG-CZ 4.5Å; K221-F223 WeakPolarHBondContact O-CE2 3.48Å; F223-L333 HydrophobicContact CB-CB 4.4Å; F223-L333 HydrophobicContact CB-CD2 4.24Å; F223-L333 VanDerWaalsContact O-CB 3.24Å; F223-L333 WeakPolarHBondContact O-CB 3.29Å; F223-L333 PolarHBondContact O-N 3.47Å
224	G	93.1	Very high	92.9	Very high	4 Å²	4	62.4 Å²	62.4	4%	0.041	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	145.1	165.9	0	0	0	0	0	112.4	W160 M331	W160-G224 VanDerWaalsContact CE2-N 3.28Å; W160-G224 PolarHBondContact O-N 2.74Å; G224-M331 CarbonylContact C-O 3.45Å; G224-M331 WeakPolarHBondContact CA-O 3.41Å
225	R	86.8	Confident	92.9	Very high	144 Å²	144	61.5 Å²	61.5	54%	0.543	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	136	179.1	-176.4	174.8	177.9	-175.4	-1.5	111.2	Q227 R228 M331 P332 L333	R225-Q227 PolarHBondContact O-N 3Å; R225-Q227 VanDerWaalsContact O-N 3.12Å; R225-R228 PolarHBondContact O-N 2.95Å; R225-M331 HydrophobicContact CB-CB 4.3Å; R225-M331 WeakPolarHBondContact CB-O 3.42Å; R225-M331 PolarHBondContact N-O 2.63Å; R225-P332 WeakPolarHBondContact CB-O 3.5Å; R225-L333 HydrophobicContact CG-CD1 4.48Å
226	G	70.4	Confident	92.8	Very high	47 Å²	47	62.5 Å²	62.5	49%	0.485	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	63.8	19.3	167.2	0	0	0	0	0	114.6	R228	G226-R228 WeakPolarHBondContact O-CG 3.43Å; G226-R228 PolarHBondContact O-N 2.95Å; G226-R228 VanDerWaalsContact O-N 3.14Å
227	Q	62.9	Low	92.8	Very high	145 Å²	145	62.6 Å²	62.6	68%	0.678	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53	29.9	-178.6	-62.2	-175.4	-45.4	0	0	114	R225	R225-Q227 PolarHBondContact O-N 3Å; R225-Q227 VanDerWaalsContact O-N 3.12Å
228	R	76.6	Confident	92.7	Very high	190 Å²	190	62.1 Å²	62.1	72%	0.717	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	109.8	-176	-71.6	178.9	-171	120.1	1.1	111	R225 G226	R225-R228 PolarHBondContact O-N 2.95Å; G226-R228 WeakPolarHBondContact O-CG 3.43Å; G226-R228 PolarHBondContact O-N 2.95Å; G226-R228 VanDerWaalsContact O-N 3.14Å
229	S	95.1	Very high	92.8	Very high	7 Å²	7	57.6 Å²	57.6	5%	0.049	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	159.8	153.4	52.1	0	0	0	0	108.9	L67 A329	L67-S229 WeakPolarHBondContact CD1-OG 3.2Å; S229-A329 WeakPolarHBondContact CA-O 3.22Å
230	Y	97.4	Very high	92.8	Very high	22 Å²	22	50.3 Å²	50.3	9%	0.086	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	156.6	-175.1	49	-95.7	0	0	0	112.4	P68 V70 R119 I232 E242 V328 A329 M331	P68-Y230 CarbonylContact O-C 2.95Å; P68-Y230 VanDerWaalsContact O-CA 3.23Å; P68-Y230 WeakPolarHBondContact O-CA 3.14Å; P68-Y230 VanDerWaalsContact O-CB 3.25Å; P68-Y230 WeakPolarHBondContact O-CB 3.47Å; V70-Y230 HydrophobicContact CB-CD2 3.83Å; V70-Y230 HydrophobicContact CB-CE2 4.39Å; V70-Y230 HydrophobicContact CB-CG 4.06Å; V70-Y230 HydrophobicContact CG2-CD1 3.99Å; V70-Y230 HydrophobicContact CG2-CD2 3.84Å; V70-Y230 HydrophobicContact CG2-CG 3.53Å; R119-Y230 PolarHBondContact NH1-OH 3.02Å; Y230-I232 HydrophobicContact CD2-CD1 3.81Å; Y230-I232 HydrophobicContact CE2-CD1 3.74Å; Y230-E242 PolarHBondContact OH-OE1 3.24Å; Y230-V328 WeakPolarHBondContact O-CA 3.44Å; Y230-A329 HydrophobicContact CD2-CB 4.19Å; Y230-A329 HydrophobicContact CE2-CB 3.62Å; Y230-A329 PolarHBondContact N-O 3.39Å; Y230-A329 PolarHBondContact O-N 3.13Å; Y230-M331 HydrophobicContact CE1-CG 4.21Å
231	S	97.8	Very high	92.8	Very high	14 Å²	14	50 Å²	50	10%	0.098	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	148.9	168.8	-70.7	0	0	0	0	109.9	L67 P68 E69 V70 V327	L67-S231 PolarHBondContact N-OG 3.49Å; P68-S231 PolarHBondContact O-N 2.61Å; E69-S231 CarbonylContact C-O 3.57Å; E69-S231 VanDerWaalsContact CA-O 3.32Å; E69-S231 WeakPolarHBondContact CA-O 3.41Å; V70-S231 PolarHBondContact N-O 2.86Å; S231-V327 WeakPolarHBondContact CA-O 3.27Å
232	I	97.9	Very high	92.8	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-97.8	135.3	167.9	-54.4	-58.9	0	0	0	107.7	Y230 Q238 I239 E242 V327	Y230-I232 HydrophobicContact CD2-CD1 3.81Å; Y230-I232 HydrophobicContact CE2-CD1 3.74Å; I232-Q238 HydrophobicContact CG2-CB 3.85Å; I232-I239 HydrophobicContact CG2-CG1 3.84Å; I232-E242 HydrophobicContact CD1-CB 3.99Å; I232-E242 HydrophobicContact CD1-CG 3.77Å; I232-E242 HydrophobicContact CG1-CB 4.23Å; I232-E242 HydrophobicContact CG1-CG 4.03Å; I232-V327 HydrophobicContact CB-CB 4.19Å; I232-V327 HydrophobicContact CB-CG1 3.98Å; I232-V327 HydrophobicContact CG1-CG1 3.98Å; I232-V327 PolarHBondContact N-O 2.89Å
233	P	96.9	Very high	92.9	Very high	8 Å²	8	46.4 Å²	46.4	5%	0.052	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-53.9	146.8	174.1	-25	32.5	0	0	0	111.5	V70 V71 E235 Q238	V70-P233 VanDerWaalsContact O-CD 3.26Å; V70-P233 WeakPolarHBondContact O-CD 3.47Å; V71-P233 HydrophobicContact CG2-CG 3.89Å; P233-E235 HydrophobicContact CB-CG 4.48Å; P233-E235 PolarHBondContact O-N 2.73Å; P233-Q238 HydrophobicContact CB-CG 4.31Å; P233-Q238 HydrophobicContact CG-CG 4.33Å
234	S	96.7	Very high	92.9	Very high	62 Å²	62	46.9 Å²	46.9	43%	0.434	23%	0.225	S	C	.	.	S	Bend	trans	-72	57.6	176.3	-177.2	0	0	0	0	111.6	E324	S234-E324 WeakPolarHBondContact CA-O 3.34Å; S234-E324 WeakPolarHBondContact CB-O 3.1Å; S234-E324 PolarHBondContact OG-O 3.25Å
235	E	96.6	Very high	93.1	Very high	105 Å²	105	51 Å²	51	49%	0.491	24%	0.242	S	C	.	.			trans	-131.1	121.5	179.6	-70.9	-179.6	-139.9	0	0	108.4	P233 Q237 Q238 I239	P233-E235 HydrophobicContact CB-CG 4.48Å; P233-E235 PolarHBondContact O-N 2.73Å; E235-Q237 VanDerWaalsContact C-N 3.26Å; E235-Q237 PolarHBondContact O-N 3.43Å; E235-Q237 VanDerWaalsContact O-N 3.13Å; E235-Q238 HydrophobicContact CB-CB 4.13Å; E235-Q238 HydrophobicContact CB-CG 3.8Å; E235-Q238 WeakPolarHBondContact O-CB 3.21Å; E235-Q238 PolarHBondContact O-N 3.12Å; E235-I239 PolarHBondContact O-N 3.47Å; E235-I239 VanDerWaalsContact O-N 3.13Å
236	Q	96.7	Very high	93.6	Very high	65 Å²	65	45.6 Å²	45.6	30%	0.304	22%	0.223	S	C	.	.	H	α-helix	trans	-48.6	-46.4	-177.2	-178.5	-167	-47	0	0	112.8	Q238 I239 M240 W296 R316 G317	Q236-Q238 VanDerWaalsContact C-N 3.29Å; Q236-Q238 PolarHBondContact O-N 3.45Å; Q236-I239 PolarHBondContact O-N 2.91Å; Q236-M240 HydrophobicContact CG-CG 4.33Å; Q236-M240 HydrophobicContact CG-SD 3.72Å; Q236-M240 PolarHBondContact NE2-SD 3.48Å; Q236-M240 WeakPolarHBondContact O-CG 3.29Å; Q236-M240 PolarHBondContact O-N 3.1Å; Q236-W296 HydrophobicContact CG-CH2 4.42Å; Q236-W296 HydrophobicContact CG-CZ2 4.16Å; Q236-R316 HydrophobicContact CG-CG 3.85Å; Q236-G317 VanDerWaalsContact OE1-CA 3.24Å
237	Q	97	Very high	94.9	Very high	61 Å²	61	43.3 Å²	43.3	29%	0.285	20%	0.2	S	C	.	.	H	α-helix	trans	-65.5	-32.6	-178.3	-166.4	67.9	14.5	0	0	112.4	I74 L79 E235 T241	I74-Q237 HydrophobicContact CB-CG 4.13Å; I74-Q237 HydrophobicContact CD1-CB 4.33Å; I74-Q237 HydrophobicContact CD1-CG 3.91Å; I74-Q237 HydrophobicContact CG2-CG 3.97Å; L79-Q237 VanDerWaalsContact CD1-NE2 3.35Å; E235-Q237 VanDerWaalsContact C-N 3.26Å; E235-Q237 PolarHBondContact O-N 3.43Å; E235-Q237 VanDerWaalsContact O-N 3.13Å; Q237-T241 VanDerWaalsContact O-CB 3.24Å; Q237-T241 WeakPolarHBondContact O-CB 3.32Å; Q237-T241 PolarHBondContact O-N 3.47Å; Q237-T241 PolarHBondContact O-OG1 3.45Å
238	Q	98.3	Very high	96.6	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.028	17%	0.168	C	C	.	.	H	α-helix	trans	-68.5	-48.1	176.8	-66.5	-66.2	-19.9	0	0	110.6	H72 I232 P233 E235 Q236 T241 E242	H72-Q238 VanDerWaalsContact CB-OE1 3.25Å; H72-Q238 PolarHBondContact CD2-OE1 2.99Å; H72-Q238 PolarHBondContact O-NE2 3.35Å; H72-Q238 VanDerWaalsContact O-NE2 3.07Å; I232-Q238 HydrophobicContact CG2-CB 3.85Å; P233-Q238 HydrophobicContact CB-CG 4.31Å; P233-Q238 HydrophobicContact CG-CG 4.33Å; E235-Q238 HydrophobicContact CB-CB 4.13Å; E235-Q238 HydrophobicContact CB-CG 3.8Å; E235-Q238 WeakPolarHBondContact O-CB 3.21Å; E235-Q238 PolarHBondContact O-N 3.12Å; Q236-Q238 VanDerWaalsContact C-N 3.29Å; Q236-Q238 PolarHBondContact O-N 3.45Å; Q238-T241 WeakPolarHBondContact O-CB 3.42Å; Q238-T241 PolarHBondContact O-N 2.79Å; Q238-E242 PolarHBondContact O-N 3.39Å
239	I	98.7	Very high	97.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-46.2	178.1	-58.7	164.1	0	0	0	110.8	I232 E235 Q236 T241 E242 L243 W296 E324 V327	I232-I239 HydrophobicContact CG2-CG1 3.84Å; E235-I239 PolarHBondContact O-N 3.47Å; E235-I239 VanDerWaalsContact O-N 3.13Å; Q236-I239 PolarHBondContact O-N 2.91Å; I239-T241 VanDerWaalsContact C-N 3.28Å; I239-T241 PolarHBondContact O-N 2.89Å; I239-E242 PolarHBondContact O-N 3.25Å; I239-L243 HydrophobicContact CG2-CD1 4.13Å; I239-L243 WeakPolarHBondContact O-CG 3.41Å; I239-L243 PolarHBondContact O-N 3.09Å; I239-W296 HydrophobicContact CB-CH2 3.71Å; I239-W296 HydrophobicContact CB-CZ2 4.01Å; I239-W296 HydrophobicContact CD1-CZ2 4.24Å; I239-W296 HydrophobicContact CG2-CH2 3.49Å; I239-W296 VanDerWaalsContact CG2-CH2 3.49Å; I239-W296 HydrophobicContact CG2-CZ2 3.87Å; I239-W296 HydrophobicContact CG2-CZ3 3.97Å; I239-E324 HydrophobicContact CD1-CB 3.79Å; I239-E324 HydrophobicContact CD1-CG 3.96Å; I239-V327 HydrophobicContact CD1-CG2 3.85Å; I239-V327 HydrophobicContact CG1-CG2 4.17Å
240	M	98.8	Very high	97.9	Very high	12 Å²	12	27 Å²	27	6%	0.059	13%	0.131	C	C	.	.	H	α-helix	trans	-60.9	-39.4	175.9	-64	166.9	67.3	0	0	111.4	L79 Q236 L243 Y244 W287 W296	L79-M240 HydrophobicContact CB-CE 4.18Å; L79-M240 HydrophobicContact CD1-CB 3.42Å; L79-M240 VanDerWaalsContact CD1-CB 3.42Å; L79-M240 HydrophobicContact CD1-CE 4.04Å; Q236-M240 HydrophobicContact CG-CG 4.33Å; Q236-M240 HydrophobicContact CG-SD 3.72Å; Q236-M240 PolarHBondContact NE2-SD 3.48Å; Q236-M240 WeakPolarHBondContact O-CG 3.29Å; Q236-M240 PolarHBondContact O-N 3.1Å; M240-L243 PolarHBondContact O-N 2.79Å; M240-Y244 VanDerWaalsContact O-CB 3.29Å; M240-Y244 WeakPolarHBondContact O-CB 3.42Å; M240-Y244 PolarHBondContact O-N 3Å; M240-W287 HydrophobicContact CB-CD2 4.4Å; M240-W287 HydrophobicContact CB-CE3 4.19Å; M240-W287 HydrophobicContact CB-CH2 4.19Å; M240-W287 HydrophobicContact CB-CZ2 4.37Å; M240-W287 HydrophobicContact CB-CZ3 4.09Å; M240-W287 HydrophobicContact CE-CD2 4.07Å; M240-W287 VanDerWaalsContact CE-CE2 3.48Å; M240-W287 HydrophobicContact CE-CG 4.27Å; M240-W287 HydrophobicContact CE-CZ2 3.86Å; M240-W287 HydrophobicContact CG-CD2 4.03Å; M240-W287 HydrophobicContact CG-CE3 4.15Å; M240-W287 HydrophobicContact CG-CG 4.41Å; M240-W287 WeakPolarHBondContact O-CZ3 3.07Å; M240-W296 HydrophobicContact CB-CH2 4.45Å; M240-W296 HydrophobicContact CG-CH2 3.5Å; M240-W296 VanDerWaalsContact CG-CH2 3.5Å; M240-W296 HydrophobicContact CG-CZ3 3.78Å
241	T	98.4	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66	-41	178	-62.7	0	0	0	0	112	H72 I77 Q237 Q238 I239 Y244 K245	H72-T241 HydrophobicContact CB-CG2 3.66Å; I77-T241 HydrophobicContact CD1-CG2 3.7Å; Q237-T241 VanDerWaalsContact O-CB 3.24Å; Q237-T241 WeakPolarHBondContact O-CB 3.32Å; Q237-T241 PolarHBondContact O-N 3.47Å; Q237-T241 PolarHBondContact O-OG1 3.45Å; Q238-T241 WeakPolarHBondContact O-CB 3.42Å; Q238-T241 PolarHBondContact O-N 2.79Å; I239-T241 VanDerWaalsContact C-N 3.28Å; I239-T241 PolarHBondContact O-N 2.89Å; T241-Y244 PolarHBondContact O-N 3.35Å; T241-K245 HydrophobicContact CG2-CD 3.84Å; T241-K245 HydrophobicContact CG2-CG 4.44Å; T241-K245 WeakPolarHBondContact O-CB 3.39Å; T241-K245 WeakPolarHBondContact O-CG 3.36Å; T241-K245 PolarHBondContact O-N 2.92Å
242	E	98.4	Very high	98	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.4	-49.6	175.9	177.6	60.8	-174.8	0	0	110.8	H72 R119 Y230 I232 Q238 I239 Y244 K245 N246 V249	H72-E242 IonicContact CE1-OE2 3.82Å; H72-E242 PolarHBondContact CE1-OE2 2.85Å; H72-E242 WeakPolarHBondContact NE2-CB 3.44Å; H72-E242 IonicContact NE2-OE2 3.78Å; H72-E242 PolarHBondContact NE2-OE2 3.16Å; R119-E242 IonicContact CZ-OE1 3.76Å; R119-E242 IonicContact NH1-OE1 2.63Å; R119-E242 PolarHBondContact NH1-OE1 3.06Å; R119-E242 IonicContact NH2-OE1 3.62Å; R119-E242 PolarHBondContact NH2-OE1 3.06Å; Y230-E242 PolarHBondContact OH-OE1 3.24Å; I232-E242 HydrophobicContact CD1-CB 3.99Å; I232-E242 HydrophobicContact CD1-CG 3.77Å; I232-E242 HydrophobicContact CG1-CB 4.23Å; I232-E242 HydrophobicContact CG1-CG 4.03Å; Q238-E242 PolarHBondContact O-N 3.39Å; I239-E242 PolarHBondContact O-N 3.25Å; E242-Y244 VanDerWaalsContact C-N 3.32Å; E242-Y244 PolarHBondContact O-N 3Å; E242-K245 PolarHBondContact O-N 3.07Å; E242-N246 WeakPolarHBondContact O-CB 3.44Å; E242-N246 PolarHBondContact O-N 2.9Å; E242-N246 PolarHBondContact OE2-ND2 2.9Å; E242-V249 HydrophobicContact CB-CG1 4.48Å; E242-V249 HydrophobicContact CG-CG1 3.56Å
243	L	98.7	Very high	98	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57	-46.2	177.7	-73	170.3	0	0	0	111.8	W89 I239 M240 G247 V249 I284 W287 W296	W89-L243 WeakPolarHBondContact CH2-O 3.46Å; I239-L243 HydrophobicContact CG2-CD1 4.13Å; I239-L243 WeakPolarHBondContact O-CG 3.41Å; I239-L243 PolarHBondContact O-N 3.09Å; M240-L243 PolarHBondContact O-N 2.79Å; L243-G247 WeakPolarHBondContact O-CA 3.17Å; L243-G247 PolarHBondContact O-N 3.36Å; L243-V249 HydrophobicContact CD2-CG1 4.26Å; L243-V249 HydrophobicContact CD2-CG2 3.99Å; L243-I284 HydrophobicContact CD1-CG2 3.8Å; L243-I284 HydrophobicContact CD2-CG2 4.36Å; L243-I284 WeakPolarHBondContact CD2-O 3Å; L243-W287 HydrophobicContact CB-CE3 4.39Å; L243-W287 HydrophobicContact CB-CZ3 3.86Å; L243-W287 HydrophobicContact CD1-CE3 4.05Å; L243-W287 HydrophobicContact CD1-CZ3 4.34Å; L243-W296 HydrophobicContact CD1-CE3 4.11Å; L243-W296 HydrophobicContact CD1-CZ3 3.65Å
244	Y	98.4	Very high	98.1	Very high	88 Å²	88	25.6 Å²	25.6	35%	0.345	13%	0.125	S	C	.	.	H	α-helix	trans	-64.4	-41.5	-178.6	-171	-106.1	0	0	0	112.9	L79 P80 F83 M240 T241 E242 W287	L79-Y244 HydrophobicContact CD2-CD1 3.85Å; L79-Y244 HydrophobicContact CD2-CD2 4.26Å; L79-Y244 HydrophobicContact CD2-CG 3.69Å; P80-Y244 HydrophobicContact CG-CE2 4.27Å; F83-Y244 AromaticContact CD2-CD2 3.79Å; F83-Y244 HydrophobicContact CD2-CD2 3.79Å; F83-Y244 HydrophobicContact CD2-CE2 4.21Å; F83-Y244 AromaticContact CE2-CD2 3.66Å; F83-Y244 HydrophobicContact CE2-CD2 3.66Å; F83-Y244 HydrophobicContact CE2-CE2 4.1Å; F83-Y244 HydrophobicContact CZ-CD2 4.32Å; M240-Y244 VanDerWaalsContact O-CB 3.29Å; M240-Y244 WeakPolarHBondContact O-CB 3.42Å; M240-Y244 PolarHBondContact O-N 3Å; T241-Y244 PolarHBondContact O-N 3.35Å; E242-Y244 VanDerWaalsContact C-N 3.32Å; E242-Y244 PolarHBondContact O-N 3Å; Y244-W287 HydrophobicContact CD2-CH2 4.18Å
245	K	96.6	Very high	98.2	Very high	91 Å²	91	22.6 Å²	22.6	40%	0.396	10%	0.104	S	C	.	.	H	α-helix	trans	-82.7	-42.6	-175.5	-72.3	178.8	177.4	171.9	0	112.5	I77 T241 E242	I77-K245 VanDerWaalsContact CD1-NZ 3.26Å; T241-K245 HydrophobicContact CG2-CD 3.84Å; T241-K245 HydrophobicContact CG2-CG 4.44Å; T241-K245 WeakPolarHBondContact O-CB 3.39Å; T241-K245 WeakPolarHBondContact O-CG 3.36Å; T241-K245 PolarHBondContact O-N 2.92Å; E242-K245 PolarHBondContact O-N 3.07Å
246	N	97.3	Very high	98.2	Very high	29 Å²	29	20.3 Å²	20.3	16%	0.155	9%	0.091	C	C	.	.	H	α-helix	trans	-120.1	-14.3	-160.8	-63.7	-39.7	0	0	0	113.7	Q123 E242 M331	Q123-N246 PolarHBondContact NE2-O 3.24Å; E242-N246 WeakPolarHBondContact O-CB 3.44Å; E242-N246 PolarHBondContact O-N 2.9Å; E242-N246 PolarHBondContact OE2-ND2 2.9Å; N246-M331 HydrophobicContact CB-SD 3.99Å
247	G	98.3	Very high	98.1	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.081	C	C	.	.			trans	97.7	-171.5	-179.3	0	0	0	0	0	113.7	R119 L243	R119-G247 PolarHBondContact NH2-O 2.95Å; L243-G247 WeakPolarHBondContact O-CA 3.17Å; L243-G247 PolarHBondContact O-N 3.36Å
248	P	98.8	Very high	98	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.067	C	C	.	.			trans	-52.1	150.6	-172.7	-29.2	36.9	0	0	0	114.6	L95 D118 R119 K283 I284 L285	L95-P248 HydrophobicContact CD2-CG 3.5Å; D118-P248 HydrophobicContact CB-CB 4.49Å; D118-P248 HydrophobicContact CB-CG 3.93Å; R119-P248 PolarHBondContact NE-O 3.29Å; R119-P248 PolarHBondContact NH2-O 3.04Å; R119-P248 VanDerWaalsContact NH2-O 3.15Å; P248-K283 HydrophobicContact CB-CD 3.8Å; P248-K283 HydrophobicContact CB-CG 3.74Å; P248-K283 HydrophobicContact CG-CD 4.45Å; P248-I284 CarbonylContact C-O 3.57Å; P248-I284 VanDerWaalsContact CA-O 3.28Å; P248-I284 WeakPolarHBondContact CA-O 3.4Å; P248-I284 WeakPolarHBondContact CB-O 3.47Å; P248-L285 HydrophobicContact CB-CB 4.11Å; P248-L285 HydrophobicContact CG-CB 3.86Å
249	V	98.9	Very high	97.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	158	177.6	-61.8	0	0	0	0	109.6	R119 E242 L243 K283 I284 V327 A329	R119-V249 VanDerWaalsContact NH2-CG1 3.33Å; E242-V249 HydrophobicContact CB-CG1 4.48Å; E242-V249 HydrophobicContact CG-CG1 3.56Å; L243-V249 HydrophobicContact CD2-CG1 4.26Å; L243-V249 HydrophobicContact CD2-CG2 3.99Å; V249-K283 CarbonylContact O-C 3.5Å; V249-K283 WeakPolarHBondContact O-CA 3.34Å; V249-I284 HydrophobicContact CG2-CB 3.9Å; V249-I284 PolarHBondContact N-O 2.83Å; V249-I284 PolarHBondContact O-N 2.85Å; V249-V327 HydrophobicContact CB-CG1 3.83Å; V249-V327 HydrophobicContact CG1-CG1 4.29Å; V249-V327 HydrophobicContact CG2-CG1 3.53Å; V249-A329 HydrophobicContact CG1-CB 4.03Å
250	E	98.9	Very high	97.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	137.6	165.6	-179.9	-178.6	-164.2	0	0	108.8	A112 S153 W157 A281 I282 V327 V328	A112-E250 WeakPolarHBondContact CA-OE2 3.25Å; A112-E250 WeakPolarHBondContact CB-OE2 3.36Å; A112-E250 VanDerWaalsContact N-CD 3.27Å; A112-E250 PolarHBondContact N-OE1 3.21Å; A112-E250 PolarHBondContact N-OE2 3.36Å; S153-E250 VanDerWaalsContact CB-CD 3.43Å; S153-E250 VanDerWaalsContact CB-OE1 3.31Å; S153-E250 WeakPolarHBondContact CB-OE1 3.43Å; S153-E250 WeakPolarHBondContact CB-OE2 3.34Å; S153-E250 VanDerWaalsContact OG-CD 3.28Å; S153-E250 PolarHBondContact OG-OE1 3.15Å; W157-E250 VanDerWaalsContact CD1-OE2 3.25Å; W157-E250 HydrophobicContact CZ2-CB 4.15Å; W157-E250 PolarHBondContact NE1-OE2 3.14Å; E250-A281 HydrophobicContact CG-CB 4.44Å; E250-A281 WeakPolarHBondContact OE1-CB 3.13Å; E250-I282 WeakPolarHBondContact CA-O 3.43Å; E250-V327 WeakPolarHBondContact O-CA 3.31Å; E250-V328 HydrophobicContact CB-CG2 4.05Å; E250-V328 HydrophobicContact CG-CG2 4.34Å; E250-V328 PolarHBondContact N-O 3.06Å; E250-V328 VanDerWaalsContact N-O 3.12Å; E250-V328 PolarHBondContact O-N 2.94Å
251	A	98.6	Very high	97.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	155.7	170.9	0	0	0	0	0	110.2	A281 I282 I284 I323 E326 V327	A251-A281 CarbonylContact O-C 3.53Å; A251-A281 WeakPolarHBondContact O-CA 3.44Å; A251-I282 HydrophobicContact CB-CD1 3.92Å; A251-I282 PolarHBondContact N-O 3.49Å; A251-I282 PolarHBondContact O-N 3.04Å; A251-I284 HydrophobicContact CB-CD1 3.48Å; A251-I284 VanDerWaalsContact CB-CD1 3.48Å; A251-I284 HydrophobicContact CB-CG1 3.79Å; A251-I323 HydrophobicContact CB-CG1 4.41Å; A251-E326 WeakPolarHBondContact CA-O 3.14Å; A251-V327 HydrophobicContact CB-CG2 4.01Å
252	A	98.5	Very high	96.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	147.7	172.3	0	0	0	0	0	111.2	T60 L62 H280 E326	T60-A252 HydrophobicContact CG2-CB 3.84Å; L62-A252 HydrophobicContact CD2-CB 3.61Å; A252-H280 WeakPolarHBondContact CA-O 3.29Å; A252-E326 HydrophobicContact CB-CB 4.16Å; A252-E326 PolarHBondContact N-O 3.34Å
253	F	98.8	Very high	96	Very high	1 Å²	1	19 Å²	19	0%	0.004	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	167.1	177.2	75.5	-70.2	0	0	0	111.3	V255 F259 G279 H280 I282 F312 I314 C321 I323	F253-V255 HydrophobicContact CE1-CG2 4.29Å; F253-V255 HydrophobicContact CE2-CG2 3.83Å; F253-V255 HydrophobicContact CZ-CG2 3.69Å; F253-F259 HydrophobicContact CE2-CD1 4.48Å; F253-F259 HydrophobicContact CE2-CD2 4.29Å; F253-F259 HydrophobicContact CE2-CE1 4.33Å; F253-F259 HydrophobicContact CE2-CE2 4.13Å; F253-F259 HydrophobicContact CE2-CG 4.45Å; F253-F259 HydrophobicContact CE2-CZ 4.13Å; F253-F259 HydrophobicContact CZ-CD1 4.31Å; F253-F259 AromaticContact CZ-CE1 3.77Å; F253-F259 HydrophobicContact CZ-CE1 3.77Å; F253-F259 HydrophobicContact CZ-CE2 4.04Å; F253-F259 AromaticContact CZ-CZ 3.6Å; F253-F259 HydrophobicContact CZ-CZ 3.6Å; F253-G279 WeakPolarHBondContact O-CA 3.35Å; F253-H280 WeakPolarHBondContact CD1-O 3.38Å; F253-H280 HydrophobicContact CE1-CB 4.23Å; F253-H280 AromaticContact CE1-CD2 3.95Å; F253-H280 PolarHBondContact N-O 2.93Å; F253-H280 PolarHBondContact O-N 2.62Å; F253-I282 HydrophobicContact CD1-CG1 4.03Å; F253-I282 HydrophobicContact CE1-CG1 4.03Å; F253-I282 HydrophobicContact CE1-CG2 3.81Å; F253-F312 HydrophobicContact CE1-CZ 4.09Å; F253-F312 HydrophobicContact CZ-CE2 4.38Å; F253-F312 HydrophobicContact CZ-CZ 4.1Å; F253-I314 HydrophobicContact CD2-CD1 4.18Å; F253-I314 HydrophobicContact CE2-CD1 4.47Å; F253-C321 HydrophobicContact CB-CB 4.34Å; F253-C321 HydrophobicContact CD2-CB 3.95Å; F253-I323 HydrophobicContact CB-CB 3.85Å; F253-I323 HydrophobicContact CB-CG1 4.15Å
254	S	98.7	Very high	94.6	Very high	17 Å²	17	20 Å²	20	12%	0.119	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	118.4	176.6	-56	0	0	0	0	110.4	Y256 M276 C321	S254-Y256 WeakPolarHBondContact O-CD2 3.43Å; S254-M276 VanDerWaalsContact CB-CE 3.42Å; S254-M276 WeakPolarHBondContact OG-CE 3.34Å; S254-C321 WeakPolarHBondContact CB-O 3.45Å; S254-C321 PolarHBondContact N-O 3.09Å; S254-C321 WeakPolarHBondContact O-CB 3.27Å; S254-C321 PolarHBondContact OG-O 2.72Å
255	V	98.3	Very high	93.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	133	173.8	175.1	0	0	0	0	109.4	F253 F259 L260 L277 G278 H280 W302	F253-V255 HydrophobicContact CE1-CG2 4.29Å; F253-V255 HydrophobicContact CE2-CG2 3.83Å; F253-V255 HydrophobicContact CZ-CG2 3.69Å; V255-F259 HydrophobicContact CG1-CB 4.32Å; V255-F259 HydrophobicContact CG1-CD1 3.95Å; V255-F259 HydrophobicContact CG2-CD1 4.32Å; V255-L260 HydrophobicContact CG1-CD2 4.29Å; V255-L277 HydrophobicContact CG1-CB 4.36Å; V255-L277 HydrophobicContact CG1-CD1 4.28Å; V255-L277 PolarHBondContact O-N 3.46Å; V255-G278 PolarHBondContact N-O 3.24Å; V255-H280 HydrophobicContact CG2-CB 3.35Å; V255-W302 HydrophobicContact CG1-CH2 4.44Å
256	Y	97.3	Very high	92.1	Very high	56 Å²	56	20.1 Å²	20.1	22%	0.22	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	162.4	173.9	-67.7	-94.3	0	0	0	110.3	S254 D258 F259 H271 E275 M276 C321	S254-Y256 WeakPolarHBondContact O-CD2 3.43Å; Y256-D258 VanDerWaalsContact CB-OD1 3.28Å; Y256-D258 WeakPolarHBondContact CB-OD1 3.46Å; Y256-D258 PolarHBondContact O-N 3.44Å; Y256-F259 WeakPolarHBondContact O-CB 3.17Å; Y256-F259 PolarHBondContact O-N 2.85Å; Y256-F259 VanDerWaalsContact O-N 3.16Å; Y256-H271 VanDerWaalsContact CB-CE1 3.48Å; Y256-H271 WeakPolarHBondContact CB-CE1 3.08Å; Y256-H271 WeakPolarHBondContact CB-ND1 3.27Å; Y256-H271 AromaticContact CD1-CE1 3.33Å; Y256-H271 WeakPolarHBondContact CD1-CE1 3.47Å; Y256-H271 AromaticContact CD1-ND1 3.89Å; Y256-H271 AromaticContact CD1-NE2 3.62Å; Y256-H271 AromaticContact CD2-ND1 3.86Å; Y256-H271 AromaticContact CE1-NE2 3.86Å; Y256-H271 AromaticContact CG-CE1 3.37Å; Y256-H271 AromaticContact CG-ND1 3.43Å; Y256-H271 AromaticContact CG-NE2 3.95Å; Y256-E275 WeakPolarHBondContact CA-O 3.03Å; Y256-M276 HydrophobicContact CD1-CB 4.08Å; Y256-M276 HydrophobicContact CE1-CB 3.8Å; Y256-M276 HydrophobicContact CE1-CG 4.25Å; Y256-C321 HydrophobicContact CE2-CB 4.43Å
257	E	95.1	Very high	91.9	Very high	18 Å²	18	18.9 Å²	18.9	8%	0.084	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.4	-178.4	-71.8	176.2	151.8	0	0	114.2	P24 L260 G274 E275 L277	P24-E257 HydrophobicContact CB-CB 3.92Å; P24-E257 HydrophobicContact CB-CG 3.84Å; P24-E257 HydrophobicContact CG-CG 4.46Å; E257-L260 WeakPolarHBondContact O-CB 3.05Å; E257-L260 WeakPolarHBondContact O-CG 3.35Å; E257-L260 PolarHBondContact O-N 3.27Å; E257-G274 WeakPolarHBondContact OE2-CA 3.07Å; E257-E275 HydrophobicContact CG-CB 4.5Å; E257-E275 PolarHBondContact N-O 2.57Å; E257-E275 PolarHBondContact OE2-N 2.8Å; E257-L277 HydrophobicContact CG-CD1 4.1Å; E257-L277 HydrophobicContact CG-CD2 3.72Å; E257-L277 HydrophobicContact CG-CG 3.97Å
258	D	94.7	Very high	91.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-34.4	178.3	59.9	-13	0	0	0	113.1	I33 W40 Y256 L260 Q261 Y269 H271 V272 T273	I33-D258 HydrophobicContact CD1-CB 3.61Å; I33-D258 HydrophobicContact CG1-CB 4.14Å; W40-D258 HydrophobicContact CH2-CB 4.18Å; W40-D258 VanDerWaalsContact CH2-O 3.28Å; W40-D258 WeakPolarHBondContact CH2-O 3.5Å; W40-D258 HydrophobicContact CZ2-CB 4.33Å; Y256-D258 VanDerWaalsContact CB-OD1 3.28Å; Y256-D258 WeakPolarHBondContact CB-OD1 3.46Å; Y256-D258 PolarHBondContact O-N 3.44Å; D258-L260 PolarHBondContact O-N 3.05Å; D258-L260 VanDerWaalsContact O-N 3.12Å; D258-Q261 WeakPolarHBondContact O-CB 3.47Å; D258-Q261 PolarHBondContact O-N 3.5Å; D258-Y269 PolarHBondContact OD1-OH 3.4Å; D258-Y269 VanDerWaalsContact OD1-OH 3.1Å; D258-H271 IonicContact OD1-CE1 2.72Å; D258-H271 IonicContact OD1-ND1 2.75Å; D258-H271 PolarHBondContact OD1-ND1 2.93Å; D258-H271 IonicContact OD2-CE1 3.11Å; D258-H271 IonicContact OD2-CG 3.56Å; D258-H271 IonicContact OD2-ND1 2.76Å; D258-H271 PolarHBondContact OD2-ND1 2.7Å; D258-H271 VanDerWaalsContact OD2-ND1 3.12Å; D258-V272 PolarHBondContact OD2-N 3.33Å; D258-T273 HydrophobicContact CB-CG2 4.45Å; D258-T273 VanDerWaalsContact CB-O 3.26Å; D258-T273 WeakPolarHBondContact CB-O 3.34Å; D258-T273 PolarHBondContact OD2-N 2.85Å; D258-T273 VanDerWaalsContact OD2-N 3.09Å; D258-T273 VanDerWaalsContact OD2-O 3.13Å
259	F	95.6	Very high	91.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-53.9	-33.4	175.4	-177.1	-106.1	0	0	0	112.8	F253 V255 Y256 Q261 Y262 Y269 W302 W306 F312	F253-F259 HydrophobicContact CE2-CD1 4.48Å; F253-F259 HydrophobicContact CE2-CD2 4.29Å; F253-F259 HydrophobicContact CE2-CE1 4.33Å; F253-F259 HydrophobicContact CE2-CE2 4.13Å; F253-F259 HydrophobicContact CE2-CG 4.45Å; F253-F259 HydrophobicContact CE2-CZ 4.13Å; F253-F259 HydrophobicContact CZ-CD1 4.31Å; F253-F259 AromaticContact CZ-CE1 3.77Å; F253-F259 HydrophobicContact CZ-CE1 3.77Å; F253-F259 HydrophobicContact CZ-CE2 4.04Å; F253-F259 AromaticContact CZ-CZ 3.6Å; F253-F259 HydrophobicContact CZ-CZ 3.6Å; V255-F259 HydrophobicContact CG1-CB 4.32Å; V255-F259 HydrophobicContact CG1-CD1 3.95Å; V255-F259 HydrophobicContact CG2-CD1 4.32Å; Y256-F259 WeakPolarHBondContact O-CB 3.17Å; Y256-F259 PolarHBondContact O-N 2.85Å; Y256-F259 VanDerWaalsContact O-N 3.16Å; F259-Q261 PolarHBondContact O-N 3.37Å; F259-Q261 VanDerWaalsContact O-N 3.1Å; F259-Y262 VanDerWaalsContact O-CB 3.27Å; F259-Y262 WeakPolarHBondContact O-CB 3.25Å; F259-Y262 PolarHBondContact O-N 3.47Å; F259-Y269 HydrophobicContact CB-CE1 4.44Å; F259-Y269 HydrophobicContact CB-CE2 3.82Å; F259-Y269 AromaticContact CD2-CD1 3.73Å; F259-Y269 HydrophobicContact CD2-CD1 3.73Å; F259-Y269 AromaticContact CD2-CD2 3.81Å; F259-Y269 HydrophobicContact CD2-CD2 3.81Å; F259-Y269 AromaticContact CD2-CE1 3.71Å; F259-Y269 HydrophobicContact CD2-CE1 3.71Å; F259-Y269 AromaticContact CD2-CE2 3.79Å; F259-Y269 HydrophobicContact CD2-CE2 3.79Å; F259-Y269 AromaticContact CD2-CG 3.78Å; F259-Y269 HydrophobicContact CD2-CG 3.78Å; F259-Y269 AromaticContact CD2-CZ 3.74Å; F259-Y269 HydrophobicContact CE2-CD1 4.16Å; F259-Y269 HydrophobicContact CE2-CE1 4.48Å; F259-Y269 HydrophobicContact CE2-CG 4.24Å; F259-Y269 HydrophobicContact CG-CE1 4.48Å; F259-Y269 HydrophobicContact CG-CE2 4.32Å; F259-W302 HydrophobicContact CD1-CH2 4.04Å; F259-W302 HydrophobicContact CD1-CZ3 4.16Å; F259-W302 AromaticContact CE1-CH2 3.86Å; F259-W302 HydrophobicContact CE1-CH2 3.86Å; F259-W302 AromaticContact CE1-CZ3 3.88Å; F259-W302 HydrophobicContact CE1-CZ3 3.88Å; F259-W306 HydrophobicContact CD1-CZ2 4.13Å; F259-W306 AromaticContact CE1-CH2 3.71Å; F259-W306 HydrophobicContact CE1-CH2 3.71Å; F259-W306 AromaticContact CE1-CZ2 3.49Å; F259-W306 HydrophobicContact CE1-CZ2 3.49Å; F259-W306 VanDerWaalsContact CE1-CZ2 3.49Å; F259-W306 AromaticContact CE2-CH2 3.99Å; F259-W306 HydrophobicContact CE2-CH2 3.99Å; F259-W306 HydrophobicContact CE2-CZ2 4.21Å; F259-W306 AromaticContact CZ-CH2 3.3Å; F259-W306 HydrophobicContact CZ-CH2 3.3Å; F259-W306 AromaticContact CZ-CZ2 3.56Å; F259-W306 HydrophobicContact CZ-CZ2 3.56Å; F259-W306 HydrophobicContact CZ-CZ3 4.45Å; F259-F312 AromaticContact CE2-CD2 3.68Å; F259-F312 HydrophobicContact CE2-CD2 3.68Å; F259-F312 AromaticContact CE2-CE2 3.74Å; F259-F312 HydrophobicContact CE2-CE2 3.74Å; F259-F312 HydrophobicContact CE2-CG 4.26Å; F259-F312 HydrophobicContact CE2-CZ 4.36Å; F259-F312 HydrophobicContact CZ-CD1 4.3Å; F259-F312 AromaticContact CZ-CD2 3.9Å; F259-F312 HydrophobicContact CZ-CD2 3.9Å; F259-F312 HydrophobicContact CZ-CE1 4.21Å; F259-F312 AromaticContact CZ-CE2 3.79Å; F259-F312 HydrophobicContact CZ-CE2 3.79Å; F259-F312 HydrophobicContact CZ-CG 4.15Å; F259-F312 AromaticContact CZ-CZ 3.94Å; F259-F312 HydrophobicContact CZ-CZ 3.94Å
260	L	91.9	Very high	91.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-56.1	-30.4	177	-54.7	-174.7	0	0	0	112.1	P24 F25 N45 F46 V54 V255 E257 D258 Y262 L277 W302	P24-L260 HydrophobicContact CB-CD1 4.45Å; F25-L260 HydrophobicContact CE1-CD1 3.82Å; F25-L260 HydrophobicContact CZ-CD1 4.48Å; N45-L260 VanDerWaalsContact CB-O 3.32Å; N45-L260 WeakPolarHBondContact CB-O 3.33Å; N45-L260 PolarHBondContact ND2-O 3.07Å; F46-L260 HydrophobicContact CD2-CB 3.66Å; F46-L260 HydrophobicContact CD2-CG 4.48Å; F46-L260 WeakPolarHBondContact CD2-O 3.24Å; F46-L260 HydrophobicContact CE2-CB 3.57Å; F46-L260 HydrophobicContact CE2-CD2 3.72Å; F46-L260 HydrophobicContact CE2-CG 4.13Å; F46-L260 HydrophobicContact CZ-CB 4.4Å; F46-L260 HydrophobicContact CZ-CD2 3.72Å; F46-L260 HydrophobicContact CZ-CG 4.49Å; V54-L260 HydrophobicContact CG1-CD1 3.75Å; V54-L260 HydrophobicContact CG1-CD2 3.48Å; V54-L260 VanDerWaalsContact CG1-CD2 3.48Å; V54-L260 HydrophobicContact CG1-CG 4.26Å; V255-L260 HydrophobicContact CG1-CD2 4.29Å; E257-L260 WeakPolarHBondContact O-CB 3.05Å; E257-L260 WeakPolarHBondContact O-CG 3.35Å; E257-L260 PolarHBondContact O-N 3.27Å; D258-L260 PolarHBondContact O-N 3.05Å; D258-L260 VanDerWaalsContact O-N 3.12Å; L260-Y262 VanDerWaalsContact C-N 3.31Å; L260-Y262 PolarHBondContact O-N 3.32Å; L260-L277 HydrophobicContact CD1-CD1 3.68Å; L260-L277 HydrophobicContact CD2-CD1 3.94Å; L260-L277 HydrophobicContact CG-CD1 3.91Å; L260-W302 HydrophobicContact CD2-CH2 4.27Å; L260-W302 HydrophobicContact CD2-CZ3 4.35Å
261	Q	91.5	Very high	91.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-87.8	7	-178.5	-52.8	-58.8	-19.3	0	0	113.4	P24 I30 I33 A42 G43 D258 F259 K263	P24-Q261 PolarHBondContact O-NE2 3.31Å; I30-Q261 HydrophobicContact CG1-CB 4.45Å; I30-Q261 HydrophobicContact CG1-CG 4.11Å; I33-Q261 HydrophobicContact CD1-CB 4.43Å; A42-Q261 WeakPolarHBondContact CA-O 3.42Å; A42-Q261 HydrophobicContact CB-CB 3.89Å; G43-Q261 PolarHBondContact N-O 3.44Å; G43-Q261 CarbonylContact O-C 3.55Å; G43-Q261 WeakPolarHBondContact O-CA 3.5Å; G43-Q261 PolarHBondContact O-OE1 3.28Å; D258-Q261 WeakPolarHBondContact O-CB 3.47Å; D258-Q261 PolarHBondContact O-N 3.5Å; F259-Q261 PolarHBondContact O-N 3.37Å; F259-Q261 VanDerWaalsContact O-N 3.1Å; Q261-K263 PolarHBondContact O-N 3.32Å
262	Y	92.4	Very high	91.5	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-66.5	98.9	175.9	-175.8	-91.1	0	0	0	110.7	W40 N45 F259 L260 G267 W306 G307 F312 K313	W40-Y262 HydrophobicContact CB-CE2 4.34Å; W40-Y262 HydrophobicContact CD2-CD2 4.44Å; W40-Y262 AromaticContact CE3-CD2 3.96Å; W40-Y262 HydrophobicContact CE3-CD2 3.96Å; N45-Y262 PolarHBondContact ND2-O 3.14Å; F259-Y262 VanDerWaalsContact O-CB 3.27Å; F259-Y262 WeakPolarHBondContact O-CB 3.25Å; F259-Y262 PolarHBondContact O-N 3.47Å; L260-Y262 VanDerWaalsContact C-N 3.31Å; L260-Y262 PolarHBondContact O-N 3.32Å; Y262-G267 PolarHBondContact OH-O 3.36Å; Y262-W306 AromaticContact CD1-CH2 3.98Å; Y262-W306 HydrophobicContact CD1-CH2 3.98Å; Y262-W306 HydrophobicContact CD1-CZ2 4.32Å; Y262-W306 HydrophobicContact CD1-CZ3 4.47Å; Y262-W306 HydrophobicContact CG-CH2 4.49Å; Y262-G307 VanDerWaalsContact O-CA 3.31Å; Y262-G307 WeakPolarHBondContact O-CA 3.01Å; Y262-F312 HydrophobicContact CD1-CB 3.71Å; Y262-F312 HydrophobicContact CE1-CB 3.35Å; Y262-F312 HydrophobicContact CG-CB 4.5Å; Y262-K313 PolarHBondContact OH-N 3.19Å; Y262-K313 VanDerWaalsContact OH-N 3.15Å
263	K	79.4	Confident	91.4	Very high	98 Å²	98	28.1 Å²	28.1	43%	0.426	15%	0.151	S	C	.	.			trans	-113.8	-14.3	-176.9	-171.3	167.7	-170	161.8	0	113.3	Q44 Q261 V265	Q44-K263 PolarHBondContact O-NZ 3.19Å; Q261-K263 PolarHBondContact O-N 3.32Å; K263-V265 PolarHBondContact O-N 3.29Å
264	S	68.1	Low	91.1	Very high	20 Å²	20	28.8 Å²	28.8	14%	0.14	16%	0.159	C	C	.	.			trans	-77	131.3	-161.7	-157	0	0	0	0	112.1	T266	S264-T266 WeakPolarHBondContact CB-O 3.46Å; S264-T266 PolarHBondContact O-N 3.37Å; S264-T266 PolarHBondContact OG-N 3.28Å; S264-T266 PolarHBondContact OG-O 3.32Å
265	V	68.6	Low	91	Very high	95 Å²	95	33 Å²	33	58%	0.576	18%	0.177	S	C	*	.	S	Bend	trans	-61.9	-25.1	167.3	-176.5	0	0	0	0	110.7	K263	K263-V265 PolarHBondContact O-N 3.29Å
266	T	74.8	Confident	90.9	Very high	87 Å²	87	37.4 Å²	37.4	53%	0.534	20%	0.198	S	C	.	.	S	Bend	trans	-126.2	129.5	178.7	57.3	0	0	0	0	110.1	S264 E290	S264-T266 WeakPolarHBondContact CB-O 3.46Å; S264-T266 PolarHBondContact O-N 3.37Å; S264-T266 PolarHBondContact OG-N 3.28Å; S264-T266 PolarHBondContact OG-O 3.32Å; T266-E290 VanDerWaalsContact C-OE1 3.31Å; T266-E290 WeakPolarHBondContact CA-OE1 3.5Å
267	G	92.6	Very high	90.8	Very high	3 Å²	3	35.3 Å²	35.3	3%	0.031	19%	0.191	C	C	.	.			trans	138.1	151.7	172.1	0	0	0	0	0	112.3	T39 Y262 E290	T39-G267 CarbonylContact O-C 2.83Å; T39-G267 WeakPolarHBondContact O-CA 3.29Å; Y262-G267 PolarHBondContact OH-O 3.36Å; G267-E290 WeakPolarHBondContact CA-OE1 3.44Å; G267-E290 PolarHBondContact N-OE1 3.35Å
268	V	97.8	Very high	90.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	20%	0.195	C	C	.	.			trans	-107.7	115.6	-179.4	-177.3	0	0	0	0	107.9	T39 Q270 E290 T293 Y295 K313 R315	T39-V268 CarbonylContact C-O 3.57Å; T39-V268 PolarHBondContact O-N 3Å; T39-V268 PolarHBondContact OG1-O 2.63Å; V268-Q270 PolarHBondContact O-N 3.38Å; V268-E290 HydrophobicContact CG2-CB 4.11Å; V268-T293 HydrophobicContact CB-CG2 3.87Å; V268-T293 HydrophobicContact CG1-CG2 3.84Å; V268-T293 HydrophobicContact CG2-CG2 4.07Å; V268-Y295 HydrophobicContact CG2-CD1 3.92Å; V268-Y295 HydrophobicContact CG2-CG 4.2Å; V268-K313 HydrophobicContact CG2-CB 4.4Å; V268-R315 HydrophobicContact CG1-CB 4.08Å; V268-R315 VanDerWaalsContact CG1-N 3.33Å
269	Y	98.1	Very high	91.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-60.3	135.3	177.7	173.1	-101.8	0	0	0	111	W40 D258 F259 K313 I314 R315	W40-Y269 HydrophobicContact CD2-CD2 4.08Å; W40-Y269 AromaticContact CE2-CD2 3.64Å; W40-Y269 HydrophobicContact CE3-CD2 4.48Å; W40-Y269 HydrophobicContact CH2-CD2 4.09Å; W40-Y269 HydrophobicContact CH2-CE2 4.11Å; W40-Y269 AromaticContact CZ2-CD2 3.65Å; W40-Y269 HydrophobicContact CZ2-CD2 3.65Å; W40-Y269 AromaticContact CZ2-CE2 3.66Å; W40-Y269 HydrophobicContact CZ2-CE2 3.66Å; W40-Y269 HydrophobicContact CZ3-CD2 4.48Å; W40-Y269 AromaticContact NE1-CD2 3.97Å; D258-Y269 PolarHBondContact OD1-OH 3.4Å; D258-Y269 VanDerWaalsContact OD1-OH 3.1Å; F259-Y269 HydrophobicContact CB-CE1 4.44Å; F259-Y269 HydrophobicContact CB-CE2 3.82Å; F259-Y269 AromaticContact CD2-CD1 3.73Å; F259-Y269 HydrophobicContact CD2-CD1 3.73Å; F259-Y269 AromaticContact CD2-CD2 3.81Å; F259-Y269 HydrophobicContact CD2-CD2 3.81Å; F259-Y269 AromaticContact CD2-CE1 3.71Å; F259-Y269 HydrophobicContact CD2-CE1 3.71Å; F259-Y269 AromaticContact CD2-CE2 3.79Å; F259-Y269 HydrophobicContact CD2-CE2 3.79Å; F259-Y269 AromaticContact CD2-CG 3.78Å; F259-Y269 HydrophobicContact CD2-CG 3.78Å; F259-Y269 AromaticContact CD2-CZ 3.74Å; F259-Y269 HydrophobicContact CE2-CD1 4.16Å; F259-Y269 HydrophobicContact CE2-CE1 4.48Å; F259-Y269 HydrophobicContact CE2-CG 4.24Å; F259-Y269 HydrophobicContact CG-CE1 4.48Å; F259-Y269 HydrophobicContact CG-CE2 4.32Å; Y269-K313 VanDerWaalsContact CB-O 3.31Å; Y269-K313 WeakPolarHBondContact CB-O 3.46Å; Y269-K313 PolarHBondContact N-O 3.4Å; Y269-I314 HydrophobicContact CD1-CB 4.38Å; Y269-I314 HydrophobicContact CD1-CD1 3.79Å; Y269-I314 HydrophobicContact CD1-CG1 3.87Å; Y269-I314 HydrophobicContact CE1-CD1 4.18Å; Y269-R315 PolarHBondContact O-N 3.37Å
270	Q	97.1	Very high	91.3	Very high	35 Å²	35	35.6 Å²	35.6	16%	0.164	20%	0.199	C	C	.	.			trans	-143.2	130.2	170.9	-68.3	-175.1	57.5	0	0	106.5	T39 W40 V268 V272 R315	T39-Q270 VanDerWaalsContact CG2-NE2 3.26Å; T39-Q270 PolarHBondContact OG1-NE2 2.98Å; W40-Q270 PolarHBondContact NE1-O 3.42Å; V268-Q270 PolarHBondContact O-N 3.38Å; Q270-V272 WeakPolarHBondContact O-CG2 3.26Å; Q270-V272 PolarHBondContact O-N 3.19Å; Q270-R315 VanDerWaalsContact CD-CD 3.47Å; Q270-R315 HydrophobicContact CG-CB 3.84Å; Q270-R315 HydrophobicContact CG-CG 4.38Å
271	H	97.5	Very high	91.6	Very high	62 Å²	62	35.6 Å²	35.6	29%	0.287	20%	0.199	S	C	.	.			trans	-63.4	134.7	180	175.6	60	0	0	0	110.6	Y256 D258 T273 G274 E320	Y256-H271 VanDerWaalsContact CB-CE1 3.48Å; Y256-H271 WeakPolarHBondContact CB-CE1 3.08Å; Y256-H271 WeakPolarHBondContact CB-ND1 3.27Å; Y256-H271 AromaticContact CD1-CE1 3.33Å; Y256-H271 WeakPolarHBondContact CD1-CE1 3.47Å; Y256-H271 AromaticContact CD1-ND1 3.89Å; Y256-H271 AromaticContact CD1-NE2 3.62Å; Y256-H271 AromaticContact CD2-ND1 3.86Å; Y256-H271 AromaticContact CE1-NE2 3.86Å; Y256-H271 AromaticContact CG-CE1 3.37Å; Y256-H271 AromaticContact CG-ND1 3.43Å; Y256-H271 AromaticContact CG-NE2 3.95Å; D258-H271 IonicContact OD1-CE1 2.72Å; D258-H271 IonicContact OD1-ND1 2.75Å; D258-H271 PolarHBondContact OD1-ND1 2.93Å; D258-H271 IonicContact OD2-CE1 3.11Å; D258-H271 IonicContact OD2-CG 3.56Å; D258-H271 IonicContact OD2-ND1 2.76Å; D258-H271 PolarHBondContact OD2-ND1 2.7Å; D258-H271 VanDerWaalsContact OD2-ND1 3.12Å; H271-T273 PolarHBondContact CE1-O 3.08Å; H271-T273 PolarHBondContact ND1-O 2.97Å; H271-G274 PolarHBondContact CE1-O 3.28Å; H271-E320 PolarHBondContact N-OE1 3.41Å
272	V	95.7	Very high	91.9	Very high	52 Å²	52	35.7 Å²	35.7	32%	0.315	20%	0.199	S	C	.	.			trans	-118.5	-45.1	-178.1	-174.2	0	0	0	0	110.7	I33 A36 T38 W40 D258 Q270	I33-V272 HydrophobicContact CG2-CG2 4.46Å; A36-V272 HydrophobicContact CB-CG1 3.76Å; T38-V272 HydrophobicContact CG2-CG2 3.57Å; W40-V272 HydrophobicContact CZ2-CG2 4.35Å; D258-V272 PolarHBondContact OD2-N 3.33Å; Q270-V272 WeakPolarHBondContact O-CG2 3.26Å; Q270-V272 PolarHBondContact O-N 3.19Å
273	T	95	Very high	92.2	Very high	44 Å²	44	35.8 Å²	35.8	27%	0.27	20%	0.2	S	C	.	.	S	Bend	trans	-165	171.5	-170.9	-167.2	0	0	0	0	111.9	L29 I33 D258 H271	L29-T273 HydrophobicContact CD1-CG2 3.57Å; I33-T273 HydrophobicContact CG1-CG2 4.17Å; D258-T273 HydrophobicContact CB-CG2 4.45Å; D258-T273 VanDerWaalsContact CB-O 3.26Å; D258-T273 WeakPolarHBondContact CB-O 3.34Å; D258-T273 PolarHBondContact OD2-N 2.85Å; D258-T273 VanDerWaalsContact OD2-N 3.09Å; D258-T273 VanDerWaalsContact OD2-O 3.13Å; H271-T273 PolarHBondContact CE1-O 3.08Å; H271-T273 PolarHBondContact ND1-O 2.97Å
274	G	94	Very high	93.2	Very high	15 Å²	15	31.1 Å²	31.1	16%	0.155	18%	0.179	C	C	.	.	S	Bend	trans	94.9	156.8	178.2	0	0	0	0	0	113.2	E257 H271	E257-G274 WeakPolarHBondContact OE2-CA 3.07Å; H271-G274 PolarHBondContact CE1-O 3.28Å
275	E	94.9	Very high	94.6	Very high	107 Å²	107	30.1 Å²	30.1	50%	0.5	17%	0.173	S	C	.	.			trans	-75.1	156.4	-176.3	-63.3	-63.9	139	0	0	111.8	N21 Y256 E257 L277	N21-E275 PolarHBondContact ND2-OE1 3.12Å; Y256-E275 WeakPolarHBondContact CA-O 3.03Å; E257-E275 HydrophobicContact CG-CB 4.5Å; E257-E275 PolarHBondContact N-O 2.57Å; E257-E275 PolarHBondContact OE2-N 2.8Å; E275-L277 PolarHBondContact O-N 3.31Å
276	M	96.4	Very high	96	Very high	91 Å²	91	25.6 Å²	25.6	45%	0.448	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	129.2	171.3	-167.8	-166.5	-160.3	0	0	109.6	L62 S254 Y256	L62-M276 HydrophobicContact CD1-CE 4.15Å; S254-M276 VanDerWaalsContact CB-CE 3.42Å; S254-M276 WeakPolarHBondContact OG-CE 3.34Å; Y256-M276 HydrophobicContact CD1-CB 4.08Å; Y256-M276 HydrophobicContact CE1-CB 3.8Å; Y256-M276 HydrophobicContact CE1-CG 4.25Å
277	L	96.3	Very high	97.2	Very high	12 Å²	12	21.6 Å²	21.6	6%	0.063	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-34.5	-179.6	-64.5	179.9	0	0	0	112.8	I51 V54 R55 V255 E257 L260 E275	I51-L277 HydrophobicContact CD1-CD1 4.49Å; I51-L277 HydrophobicContact CD1-CD2 3.79Å; I51-L277 HydrophobicContact CG1-CD2 4.18Å; V54-L277 HydrophobicContact CG1-CD1 3.92Å; R55-L277 HydrophobicContact CG-CD2 4.32Å; V255-L277 HydrophobicContact CG1-CB 4.36Å; V255-L277 HydrophobicContact CG1-CD1 4.28Å; V255-L277 PolarHBondContact O-N 3.46Å; E257-L277 HydrophobicContact CG-CD1 4.1Å; E257-L277 HydrophobicContact CG-CD2 3.72Å; E257-L277 HydrophobicContact CG-CG 3.97Å; L260-L277 HydrophobicContact CD1-CD1 3.68Å; L260-L277 HydrophobicContact CD2-CD1 3.94Å; L260-L277 HydrophobicContact CG-CD1 3.91Å; E275-L277 PolarHBondContact O-N 3.31Å
278	G	97.4	Very high	97.5	Very high	18 Å²	18	21.5 Å²	21.5	19%	0.186	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.5	-174.9	178.4	0	0	0	0	0	112.3	V255	V255-G278 PolarHBondContact N-O 3.24Å
279	G	98.4	Very high	97.5	Very high	7 Å²	7	27.1 Å²	27.1	7%	0.072	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	140.1	170	0	0	0	0	0	111.1	C58 T60 F253	C58-G279 CarbonylContact C-O 3.51Å; C58-G279 VanDerWaalsContact CA-O 3.31Å; C58-G279 WeakPolarHBondContact CA-O 3.13Å; T60-G279 PolarHBondContact N-O 2.03Å; T60-G279 CarbonylContact O-C 3.58Å; T60-G279 WeakPolarHBondContact O-CA 3.37Å; F253-G279 WeakPolarHBondContact O-CA 3.35Å
280	H	98.7	Very high	97.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.3	178.6	-172	56.9	0	0	0	110.4	L57 Q101 C107 A252 F253 V255 N300 S301 W302	L57-H280 PolarHBondContact O-ND1 3.33Å; Q101-H280 PolarHBondContact OE1-CE1 2.98Å; C107-H280 WeakPolarHBondContact CB-CE1 3.41Å; C107-H280 VanDerWaalsContact CB-ND1 3.28Å; C107-H280 WeakPolarHBondContact CB-ND1 3.12Å; C107-H280 PolarHBondContact SG-ND1 3.46Å; C107-H280 VanDerWaalsContact SG-ND1 3.43Å; A252-H280 WeakPolarHBondContact CA-O 3.29Å; F253-H280 WeakPolarHBondContact CD1-O 3.38Å; F253-H280 HydrophobicContact CE1-CB 4.23Å; F253-H280 AromaticContact CE1-CD2 3.95Å; F253-H280 PolarHBondContact N-O 2.93Å; F253-H280 PolarHBondContact O-N 2.62Å; V255-H280 HydrophobicContact CG2-CB 3.35Å; H280-N300 PolarHBondContact NE2-OD1 2.62Å; H280-S301 PolarHBondContact CE1-OG 2.85Å; H280-W302 AromaticContact CD2-CZ2 3.87Å; H280-W302 AromaticContact CE1-CE2 3.69Å; H280-W302 AromaticContact CE1-CZ2 3.82Å; H280-W302 AromaticContact CE1-NE1 3.22Å; H280-W302 PolarHBondContact CE1-NE1 3.48Å; H280-W302 AromaticContact NE2-CE2 3.65Å; H280-W302 AromaticContact NE2-CZ2 3.67Å; H280-W302 AromaticContact NE2-NE1 3.56Å
281	A	98.8	Very high	97.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	140.9	175.7	0	0	0	0	0	110.4	T60 E250 A251	T60-A281 HydrophobicContact CG2-CB 4.26Å; T60-A281 WeakPolarHBondContact OG1-CB 3.37Å; T60-A281 PolarHBondContact OG1-N 2.87Å; E250-A281 HydrophobicContact CG-CB 4.44Å; E250-A281 WeakPolarHBondContact OE1-CB 3.13Å; A251-A281 CarbonylContact O-C 3.53Å; A251-A281 WeakPolarHBondContact O-CA 3.44Å
282	I	98.8	Very high	97.2	Very high	2 Å²	2	34 Å²	34	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	170.5	-177.3	54.1	73.3	0	0	0	109.9	E250 A251 F253 I284 A298 F312 I323	E250-I282 WeakPolarHBondContact CA-O 3.43Å; A251-I282 HydrophobicContact CB-CD1 3.92Å; A251-I282 PolarHBondContact N-O 3.49Å; A251-I282 PolarHBondContact O-N 3.04Å; F253-I282 HydrophobicContact CD1-CG1 4.03Å; F253-I282 HydrophobicContact CE1-CG1 4.03Å; F253-I282 HydrophobicContact CE1-CG2 3.81Å; I282-I284 HydrophobicContact CD1-CD1 4.33Å; I282-I284 HydrophobicContact CD1-CG1 3.4Å; I282-I284 VanDerWaalsContact CD1-CG1 3.4Å; I282-A298 HydrophobicContact CD1-CB 4Å; I282-A298 HydrophobicContact CG1-CB 4.47Å; I282-F312 HydrophobicContact CG1-CZ 4.25Å; I282-F312 HydrophobicContact CG2-CE1 4.08Å; I282-F312 HydrophobicContact CG2-CZ 4.17Å; I282-I323 HydrophobicContact CD1-CD1 4.29Å
283	K	98.8	Very high	97.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	113.9	169.7	176.4	177	64	177.4	0	109.8	E114 A115 D118 P248 V249 A298 A299	E114-K283 HydrophobicContact CB-CD 3.83Å; E114-K283 IonicContact OE2-NZ 3.2Å; A115-K283 HydrophobicContact CB-CD 4.45Å; A115-K283 HydrophobicContact CB-CG 4.45Å; D118-K283 VanDerWaalsContact OD2-CD 3.26Å; D118-K283 WeakPolarHBondContact OD2-CD 3.26Å; D118-K283 WeakPolarHBondContact OD2-CE 3.42Å; D118-K283 IonicContact OD2-NZ 2.85Å; D118-K283 PolarHBondContact OD2-NZ 2.04Å; P248-K283 HydrophobicContact CB-CD 3.8Å; P248-K283 HydrophobicContact CB-CG 3.74Å; P248-K283 HydrophobicContact CG-CD 4.45Å; V249-K283 CarbonylContact O-C 3.5Å; V249-K283 WeakPolarHBondContact O-CA 3.34Å; K283-A298 CarbonylContact O-C 3.41Å; K283-A298 VanDerWaalsContact O-CA 3.29Å; K283-A298 WeakPolarHBondContact O-CA 3.39Å; K283-A299 HydrophobicContact CB-CB 4.37Å; K283-A299 PolarHBondContact N-O 2.82Å; K283-A299 PolarHBondContact O-N 3.21Å
284	I	98.8	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	128.4	165.8	-55.8	-179.4	0	0	0	107.4	L243 P248 V249 A251 I282 W296 I323	L243-I284 HydrophobicContact CD1-CG2 3.8Å; L243-I284 HydrophobicContact CD2-CG2 4.36Å; L243-I284 WeakPolarHBondContact CD2-O 3Å; P248-I284 CarbonylContact C-O 3.57Å; P248-I284 VanDerWaalsContact CA-O 3.28Å; P248-I284 WeakPolarHBondContact CA-O 3.4Å; P248-I284 WeakPolarHBondContact CB-O 3.47Å; V249-I284 HydrophobicContact CG2-CB 3.9Å; V249-I284 PolarHBondContact N-O 2.83Å; V249-I284 PolarHBondContact O-N 2.85Å; A251-I284 HydrophobicContact CB-CD1 3.48Å; A251-I284 VanDerWaalsContact CB-CD1 3.48Å; A251-I284 HydrophobicContact CB-CG1 3.79Å; I282-I284 HydrophobicContact CD1-CD1 4.33Å; I282-I284 HydrophobicContact CD1-CG1 3.4Å; I282-I284 VanDerWaalsContact CD1-CG1 3.4Å; I284-W296 HydrophobicContact CD1-CG 4.45Å; I284-W296 HydrophobicContact CG2-CB 4.26Å; I284-W296 HydrophobicContact CG2-CD2 4.29Å; I284-W296 HydrophobicContact CG2-CE3 3.91Å; I284-W296 HydrophobicContact CG2-CG 4.48Å; I284-I323 HydrophobicContact CD1-CD1 4.23Å; I284-I323 HydrophobicContact CD1-CG1 4.02Å
285	L	98.6	Very high	97.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-27.9	-177.5	67.5	149.1	0	0	0	112.8	P85 P248 L297 A299 F311	P85-L285 WeakPolarHBondContact CD-O 3.42Å; P85-L285 HydrophobicContact CG-CB 3.78Å; P85-L285 HydrophobicContact CG-CD1 3.9Å; P85-L285 HydrophobicContact CG-CG 4.2Å; P85-L285 WeakPolarHBondContact CG-O 3.33Å; P248-L285 HydrophobicContact CB-CB 4.11Å; P248-L285 HydrophobicContact CG-CB 3.86Å; L285-L297 HydrophobicContact CD1-CD2 4.09Å; L285-L297 HydrophobicContact CD1-CG 4.46Å; L285-L297 HydrophobicContact CD2-CG 4.01Å; L285-L297 VanDerWaalsContact CD2-O 3.3Å; L285-L297 WeakPolarHBondContact CD2-O 3.32Å; L285-L297 HydrophobicContact CG-CD2 4.07Å; L285-L297 HydrophobicContact CG-CG 4.05Å; L285-L297 PolarHBondContact N-O 2.83Å; L285-A299 HydrophobicContact CD2-CB 4.07Å; L285-F311 HydrophobicContact CD1-CE1 4.11Å; L285-F311 HydrophobicContact CD2-CD1 4.18Å; L285-F311 HydrophobicContact CD2-CE1 4.16Å
286	G	98.7	Very high	97.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	-171.1	-176.9	0	0	0	0	0	113.9	F83 L297	F83-G286 CarbonylContact O-C 3.42Å; F83-G286 WeakPolarHBondContact O-CA 3.19Å; G286-L297 PolarHBondContact N-O 3.11Å; G286-L297 PolarHBondContact O-N 3.22Å
287	W	98.8	Very high	98	Very high	3 Å²	3	24.3 Å²	24.3	1%	0.011	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	167.4	177	69.3	86.1	0	0	0	111.2	L79 P80 S82 F83 M240 L243 Y244 Y295 W296	L79-W287 HydrophobicContact CB-CZ2 4.17Å; P80-W287 HydrophobicContact CG-CZ2 3.96Å; P80-W287 PolarHBondContact O-NE1 3.1Å; S82-W287 WeakPolarHBondContact CA-O 3.44Å; F83-W287 HydrophobicContact CB-CD2 3.62Å; F83-W287 VanDerWaalsContact CB-CE2 3.42Å; F83-W287 HydrophobicContact CB-CE3 3.65Å; F83-W287 HydrophobicContact CB-CG 4.45Å; F83-W287 HydrophobicContact CB-CH2 3.32Å; F83-W287 HydrophobicContact CB-CZ2 3.31Å; F83-W287 HydrophobicContact CB-CZ3 3.49Å; F83-W287 VanDerWaalsContact CB-CZ3 3.49Å; F83-W287 AromaticContact CD1-CE3 3.81Å; F83-W287 HydrophobicContact CD1-CE3 3.81Å; F83-W287 AromaticContact CD1-CH2 3.74Å; F83-W287 HydrophobicContact CD1-CH2 3.74Å; F83-W287 AromaticContact CD1-CZ3 3.28Å; F83-W287 HydrophobicContact CD1-CZ3 3.28Å; F83-W287 HydrophobicContact CD2-CH2 4.16Å; F83-W287 HydrophobicContact CE1-CZ3 4.12Å; F83-W287 HydrophobicContact CG-CE3 4.09Å; F83-W287 AromaticContact CG-CH2 3.49Å; F83-W287 HydrophobicContact CG-CH2 3.49Å; F83-W287 VanDerWaalsContact CG-CH2 3.49Å; F83-W287 HydrophobicContact CG-CZ2 4Å; F83-W287 AromaticContact CG-CZ3 3.54Å; F83-W287 HydrophobicContact CG-CZ3 3.54Å; F83-W287 PolarHBondContact N-O 3.48Å; F83-W287 PolarHBondContact O-N 2.9Å; M240-W287 HydrophobicContact CB-CD2 4.4Å; M240-W287 HydrophobicContact CB-CE3 4.19Å; M240-W287 HydrophobicContact CB-CH2 4.19Å; M240-W287 HydrophobicContact CB-CZ2 4.37Å; M240-W287 HydrophobicContact CB-CZ3 4.09Å; M240-W287 HydrophobicContact CE-CD2 4.07Å; M240-W287 VanDerWaalsContact CE-CE2 3.48Å; M240-W287 HydrophobicContact CE-CG 4.27Å; M240-W287 HydrophobicContact CE-CZ2 3.86Å; M240-W287 HydrophobicContact CG-CD2 4.03Å; M240-W287 HydrophobicContact CG-CE3 4.15Å; M240-W287 HydrophobicContact CG-CG 4.41Å; M240-W287 WeakPolarHBondContact O-CZ3 3.07Å; L243-W287 HydrophobicContact CB-CE3 4.39Å; L243-W287 HydrophobicContact CB-CZ3 3.86Å; L243-W287 HydrophobicContact CD1-CE3 4.05Å; L243-W287 HydrophobicContact CD1-CZ3 4.34Å; Y244-W287 HydrophobicContact CD2-CH2 4.18Å; W287-Y295 VanDerWaalsContact CA-O 3.29Å; W287-Y295 WeakPolarHBondContact CA-O 3.3Å; W287-Y295 WeakPolarHBondContact CB-O 3.07Å; W287-W296 HydrophobicContact CB-CE3 3.82Å; W287-W296 HydrophobicContact CB-CZ3 3.93Å; W287-W296 HydrophobicContact CE3-CZ3 4.34Å
288	G	98.4	Very high	98.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	-161.1	169.2	0	0	0	0	0	111.5	S82 P294 Y295 R316	S82-G288 VanDerWaalsContact OG-CA 3.3Å; S82-G288 WeakPolarHBondContact OG-CA 3.29Å; G288-P294 WeakPolarHBondContact O-CA 3.34Å; G288-Y295 VanDerWaalsContact C-CE1 3.44Å; G288-Y295 PolarHBondContact N-O 3.31Å; G288-Y295 VanDerWaalsContact N-O 3.12Å; G288-Y295 PolarHBondContact O-N 3.02Å; G288-R316 PolarHBondContact O-NH2 3.28Å
289	E	97.7	Very high	98.1	Very high	119 Å²	119	22.9 Å²	22.9	56%	0.556	13%	0.132	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.3	171.7	-172.2	179.9	114.5	0	0	109	G292 T293	E289-G292 VanDerWaalsContact OE1-CA 3.32Å; E289-G292 WeakPolarHBondContact OE1-CA 3.38Å; E289-T293 WeakPolarHBondContact CA-O 3.41Å
290	E	96.1	Very high	98.1	Very high	33 Å²	33	22.6 Å²	22.6	15%	0.154	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	121.3	174.4	-171.8	172.9	122.3	0	0	109.4	T266 G267 V268 G292 T293 Y295 K313	T266-E290 VanDerWaalsContact C-OE1 3.31Å; T266-E290 WeakPolarHBondContact CA-OE1 3.5Å; G267-E290 WeakPolarHBondContact CA-OE1 3.44Å; G267-E290 PolarHBondContact N-OE1 3.35Å; V268-E290 HydrophobicContact CG2-CB 4.11Å; E290-G292 VanDerWaalsContact C-N 3.27Å; E290-G292 PolarHBondContact O-N 3.47Å; E290-T293 PolarHBondContact N-O 3.4Å; E290-T293 WeakPolarHBondContact O-CB 3.42Å; E290-T293 PolarHBondContact O-N 2.96Å; E290-Y295 HydrophobicContact CB-CD1 4.05Å; E290-Y295 HydrophobicContact CB-CE1 3.94Å; E290-K313 IonicContact OE2-NZ 3.72Å; E290-K313 PolarHBondContact OE2-NZ 2.99Å
291	N	95	Very high	98	Very high	156 Å²	156	22.7 Å²	22.7	83%	0.834	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	43.7	-178.8	-58.3	-40.6	0	0	0	113.3	T293	N291-T293 VanDerWaalsContact C-N 3.26Å; N291-T293 PolarHBondContact O-N 3.29Å
292	G	96.4	Very high	97.9	Very high	54 Å²	54	22.7 Å²	22.7	56%	0.557	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	2.6	-178	0	0	0	0	0	114.9	E289 E290	E289-G292 VanDerWaalsContact OE1-CA 3.32Å; E289-G292 WeakPolarHBondContact OE1-CA 3.38Å; E290-G292 VanDerWaalsContact C-N 3.27Å; E290-G292 PolarHBondContact O-N 3.47Å
293	T	97.7	Very high	97.5	Very high	19 Å²	19	22.8 Å²	22.8	12%	0.117	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	112.7	-178.8	-51.6	0	0	0	0	110.6	T39 V268 E289 E290 N291	T39-T293 HydrophobicContact CG2-CG2 3.95Å; T39-T293 VanDerWaalsContact CG2-OG1 3.22Å; T39-T293 WeakPolarHBondContact CG2-OG1 3.39Å; V268-T293 HydrophobicContact CB-CG2 3.87Å; V268-T293 HydrophobicContact CG1-CG2 3.84Å; V268-T293 HydrophobicContact CG2-CG2 4.07Å; E289-T293 WeakPolarHBondContact CA-O 3.41Å; E290-T293 PolarHBondContact N-O 3.4Å; E290-T293 WeakPolarHBondContact O-CB 3.42Å; E290-T293 PolarHBondContact O-N 2.96Å; N291-T293 VanDerWaalsContact C-N 3.26Å; N291-T293 PolarHBondContact O-N 3.29Å
294	P	98.4	Very high	97.2	Very high	36 Å²	36	26.4 Å²	26.4	23%	0.234	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	139.5	176.1	27.9	-34.2	0	0	0	110.7	G288 R316	G288-P294 WeakPolarHBondContact O-CA 3.34Å; P294-R316 HydrophobicContact CB-CB 4.41Å; P294-R316 WeakPolarHBondContact CG-O 3.24Å; P294-R316 PolarHBondContact O-N 2.82Å
295	Y	98.7	Very high	96.6	Very high	33 Å²	33	29.7 Å²	29.7	13%	0.129	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157.4	-179	67.4	-101.5	0	0	0	113.5	V268 W287 G288 E290 L297 K313 I314 R316	V268-Y295 HydrophobicContact CG2-CD1 3.92Å; V268-Y295 HydrophobicContact CG2-CG 4.2Å; W287-Y295 VanDerWaalsContact CA-O 3.29Å; W287-Y295 WeakPolarHBondContact CA-O 3.3Å; W287-Y295 WeakPolarHBondContact CB-O 3.07Å; G288-Y295 VanDerWaalsContact C-CE1 3.44Å; G288-Y295 PolarHBondContact N-O 3.31Å; G288-Y295 VanDerWaalsContact N-O 3.12Å; G288-Y295 PolarHBondContact O-N 3.02Å; E290-Y295 HydrophobicContact CB-CD1 4.05Å; E290-Y295 HydrophobicContact CB-CE1 3.94Å; Y295-L297 HydrophobicContact CE2-CB 4.18Å; Y295-K313 HydrophobicContact CD1-CD 4.1Å; Y295-K313 HydrophobicContact CD1-CG 4.5Å; Y295-K313 HydrophobicContact CD2-CB 3.97Å; Y295-K313 HydrophobicContact CD2-CD 4.06Å; Y295-K313 HydrophobicContact CD2-CG 3.66Å; Y295-K313 HydrophobicContact CE1-CD 4.03Å; Y295-K313 HydrophobicContact CE2-CD 4.03Å; Y295-K313 HydrophobicContact CE2-CG 3.9Å; Y295-K313 HydrophobicContact CG-CB 3.97Å; Y295-K313 HydrophobicContact CG-CD 4.12Å; Y295-K313 HydrophobicContact CG-CG 4.01Å; Y295-I314 CarbonylContact C-O 3.37Å; Y295-I314 WeakPolarHBondContact CA-O 3.24Å; Y295-I314 WeakPolarHBondContact CB-O 3.21Å; Y295-R316 PolarHBondContact O-NE 2.02Å
296	W	98.8	Very high	96.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	135.2	157.4	-65.4	118.2	0	0	0	109.6	Q236 I239 M240 L243 I284 W287 K313 I314 R316 E324	Q236-W296 HydrophobicContact CG-CH2 4.42Å; Q236-W296 HydrophobicContact CG-CZ2 4.16Å; I239-W296 HydrophobicContact CB-CH2 3.71Å; I239-W296 HydrophobicContact CB-CZ2 4.01Å; I239-W296 HydrophobicContact CD1-CZ2 4.24Å; I239-W296 HydrophobicContact CG2-CH2 3.49Å; I239-W296 VanDerWaalsContact CG2-CH2 3.49Å; I239-W296 HydrophobicContact CG2-CZ2 3.87Å; I239-W296 HydrophobicContact CG2-CZ3 3.97Å; M240-W296 HydrophobicContact CB-CH2 4.45Å; M240-W296 HydrophobicContact CG-CH2 3.5Å; M240-W296 VanDerWaalsContact CG-CH2 3.5Å; M240-W296 HydrophobicContact CG-CZ3 3.78Å; L243-W296 HydrophobicContact CD1-CE3 4.11Å; L243-W296 HydrophobicContact CD1-CZ3 3.65Å; I284-W296 HydrophobicContact CD1-CG 4.45Å; I284-W296 HydrophobicContact CG2-CB 4.26Å; I284-W296 HydrophobicContact CG2-CD2 4.29Å; I284-W296 HydrophobicContact CG2-CE3 3.91Å; I284-W296 HydrophobicContact CG2-CG 4.48Å; W287-W296 HydrophobicContact CB-CE3 3.82Å; W287-W296 HydrophobicContact CB-CZ3 3.93Å; W287-W296 HydrophobicContact CE3-CZ3 4.34Å; W296-K313 VanDerWaalsContact O-CA 3.31Å; W296-K313 WeakPolarHBondContact O-CA 3.11Å; W296-I314 HydrophobicContact CB-CG2 4.08Å; W296-I314 PolarHBondContact N-O 3.21Å; W296-I314 PolarHBondContact O-N 3.02Å; W296-R316 HydrophobicContact CD2-CB 4.11Å; W296-R316 HydrophobicContact CD2-CG 3.92Å; W296-R316 VanDerWaalsContact CE2-CD 3.42Å; W296-R316 HydrophobicContact CG-CB 3.99Å; W296-R316 HydrophobicContact CG-CG 4.33Å; W296-R316 HydrophobicContact CH2-CG 4.31Å; W296-R316 VanDerWaalsContact CZ2-CD 3.48Å; W296-R316 HydrophobicContact CZ2-CG 3.63Å; W296-E324 PolarHBondContact NE1-OE1 3.08Å
297	L	98.6	Very high	95.9	Very high	16 Å²	16	30.3 Å²	30.3	8%	0.084	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119	169.1	176.5	64.6	0	0	0	107.9	L285 G286 Y295 F311	L285-L297 HydrophobicContact CD1-CD2 4.09Å; L285-L297 HydrophobicContact CD1-CG 4.46Å; L285-L297 HydrophobicContact CD2-CG 4.01Å; L285-L297 VanDerWaalsContact CD2-O 3.3Å; L285-L297 WeakPolarHBondContact CD2-O 3.32Å; L285-L297 HydrophobicContact CG-CD2 4.07Å; L285-L297 HydrophobicContact CG-CG 4.05Å; L285-L297 PolarHBondContact N-O 2.83Å; G286-L297 PolarHBondContact N-O 3.11Å; G286-L297 PolarHBondContact O-N 3.22Å; Y295-L297 HydrophobicContact CE2-CB 4.18Å; L297-F311 HydrophobicContact CD1-CB 4.42Å
298	A	98.5	Very high	95.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.5	-177	0	0	0	0	0	111.7	I282 K283 F311 F312	I282-A298 HydrophobicContact CD1-CB 4Å; I282-A298 HydrophobicContact CG1-CB 4.47Å; K283-A298 CarbonylContact O-C 3.41Å; K283-A298 VanDerWaalsContact O-CA 3.29Å; K283-A298 WeakPolarHBondContact O-CA 3.39Å; A298-F311 VanDerWaalsContact O-CA 3.32Å; A298-F311 WeakPolarHBondContact O-CA 3.44Å; A298-F312 HydrophobicContact CB-CD1 3.96Å; A298-F312 HydrophobicContact CB-CD2 4.48Å; A298-F312 HydrophobicContact CB-CE1 3.44Å; A298-F312 VanDerWaalsContact CB-CE1 3.44Å; A298-F312 HydrophobicContact CB-CE2 4.02Å; A298-F312 HydrophobicContact CB-CG 4.47Å; A298-F312 HydrophobicContact CB-CZ 3.49Å; A298-F312 VanDerWaalsContact CB-CZ 3.49Å; A298-F312 PolarHBondContact N-O 2.8Å; A298-F312 PolarHBondContact O-N 3.09Å
299	A	98.5	Very high	95.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.5	169.7	0	0	0	0	0	109.3	I98 K283 L285 F311	I98-A299 HydrophobicContact CD1-CB 3.66Å; K283-A299 HydrophobicContact CB-CB 4.37Å; K283-A299 PolarHBondContact N-O 2.82Å; K283-A299 PolarHBondContact O-N 3.21Å; L285-A299 HydrophobicContact CD2-CB 4.07Å; A299-F311 HydrophobicContact CB-CD1 3.94Å; A299-F311 HydrophobicContact CB-CE1 3.82Å
300	N	97.8	Very high	95.1	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.19	C	C	.	.			trans	-95.7	166.6	176.2	-158.6	-1	0	0	0	110.8	H280 W302 W306 G310 F312	H280-N300 PolarHBondContact NE2-OD1 2.62Å; N300-W302 VanDerWaalsContact ND2-CD2 3.31Å; N300-W306 HydrophobicContact CB-CE3 3.81Å; N300-W306 HydrophobicContact CB-CZ3 3.72Å; N300-W306 VanDerWaalsContact ND2-CZ3 3.26Å; N300-W306 WeakPolarHBondContact ND2-CZ3 3.29Å; N300-G310 WeakPolarHBondContact CB-O 3.4Å; N300-G310 PolarHBondContact N-O 2.78Å; N300-F312 HydrophobicContact CB-CD1 4.26Å; N300-F312 HydrophobicContact CB-CE1 4.25Å
301	S	97.2	Very high	95.2	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.021	19%	0.186	C	C	.	.	S	Bend	trans	-110.9	22.5	-178.7	51.3	0	0	0	0	113.1	R99 D100 Q101 H280	R99-S301 CarbonylContact O-C 3.4Å; D100-S301 WeakPolarHBondContact CA-O 3.23Å; Q101-S301 WeakPolarHBondContact CG-O 2.99Å; Q101-S301 PolarHBondContact N-O 3.24Å; Q101-S301 PolarHBondContact OE1-OG 2.96Å; H280-S301 PolarHBondContact CE1-OG 2.85Å
302	W	94.8	Very high	95.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-110.9	37.6	-178.5	-53.2	-22.1	0	0	0	112.4	F46 L57 H188 V255 F259 L260 H280 N300 W306	F46-W302 HydrophobicContact CE2-CZ3 4.41Å; F46-W302 HydrophobicContact CZ-CE3 4.21Å; F46-W302 HydrophobicContact CZ-CZ3 4.14Å; L57-W302 HydrophobicContact CB-CZ2 4.31Å; L57-W302 HydrophobicContact CD1-CD2 4.42Å; H188-W302 AromaticContact CE1-CE3 3.81Å; H188-W302 WeakPolarHBondContact NE2-CB 3.37Å; H188-W302 AromaticContact NE2-CE3 3.99Å; V255-W302 HydrophobicContact CG1-CH2 4.44Å; F259-W302 HydrophobicContact CD1-CH2 4.04Å; F259-W302 HydrophobicContact CD1-CZ3 4.16Å; F259-W302 AromaticContact CE1-CH2 3.86Å; F259-W302 HydrophobicContact CE1-CH2 3.86Å; F259-W302 AromaticContact CE1-CZ3 3.88Å; F259-W302 HydrophobicContact CE1-CZ3 3.88Å; L260-W302 HydrophobicContact CD2-CH2 4.27Å; L260-W302 HydrophobicContact CD2-CZ3 4.35Å; H280-W302 AromaticContact CD2-CZ2 3.87Å; H280-W302 AromaticContact CE1-CE2 3.69Å; H280-W302 AromaticContact CE1-CZ2 3.82Å; H280-W302 AromaticContact CE1-NE1 3.22Å; H280-W302 PolarHBondContact CE1-NE1 3.48Å; H280-W302 AromaticContact NE2-CE2 3.65Å; H280-W302 AromaticContact NE2-CZ2 3.67Å; H280-W302 AromaticContact NE2-NE1 3.56Å; N300-W302 VanDerWaalsContact ND2-CD2 3.31Å; W302-W306 AromaticContact CE3-CD1 3.89Å; W302-W306 HydrophobicContact CE3-CD2 4.06Å; W302-W306 AromaticContact CE3-CE2 3.82Å; W302-W306 HydrophobicContact CE3-CG 4.11Å; W302-W306 HydrophobicContact CE3-CZ2 4.41Å; W302-W306 AromaticContact CE3-NE1 3.69Å; W302-W306 AromaticContact CZ3-CE2 3.87Å; W302-W306 HydrophobicContact CZ3-CZ2 4.11Å; W302-W306 AromaticContact CZ3-NE1 3.76Å
303	N	91.5	Very high	95.4	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	13%	0.126	C	C	.	.			trans	66.8	177.6	-176.8	84.3	35.3	0	0	0	115.1	I98 R99 D100 C185 R193 D305 G310	I98-N303 VanDerWaalsContact CG2-C 3.5Å; I98-N303 WeakPolarHBondContact CG2-O 3.25Å; R99-N303 PolarHBondContact O-N 3.34Å; R99-N303 VanDerWaalsContact O-N 3.11Å; D100-N303 HydrophobicContact CB-CB 4.01Å; C185-N303 PolarHBondContact O-ND2 3.1Å; R193-N303 PolarHBondContact NH1-ND2 2.66Å; R193-N303 VanDerWaalsContact NH1-ND2 3.17Å; N303-D305 WeakPolarHBondContact OD1-CB 3.26Å; N303-D305 PolarHBondContact OD1-N 3.23Å; N303-G310 VanDerWaalsContact O-CA 3.31Å; N303-G310 WeakPolarHBondContact O-CA 2.89Å
304	N	91.4	Very high	95.4	Very high	78 Å²	78	23.8 Å²	23.8	42%	0.417	12%	0.12	S	C	.	.	S	Bend	trans	-90.5	-0.5	-173.4	66.4	-29.1	0	0	0	114.5	I98 R193 K309	I98-N304 HydrophobicContact CG2-CB 4.38Å; R193-N304 PolarHBondContact NH2-OD1 2.97Å; N304-K309 CarbonylContact O-C 3.5Å; N304-K309 WeakPolarHBondContact O-CA 3.36Å
305	D	88.1	Confident	95.4	Very high	70 Å²	70	26.2 Å²	26.2	37%	0.374	13%	0.125	S	C	.	.	S	Bend	trans	-90.6	-12.1	176.1	-60.4	-46.6	0	0	0	111.8	R193 N303	R193-D305 IonicContact CZ-OD2 3.81Å; R193-D305 IonicContact NH1-OD2 2.62Å; R193-D305 PolarHBondContact NH1-OD2 3.37Å; R193-D305 IonicContact NH2-OD2 3.05Å; N303-D305 WeakPolarHBondContact OD1-CB 3.26Å; N303-D305 PolarHBondContact OD1-N 3.23Å
306	W	90	Very high	95.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-83.2	143	172	-172.3	80.8	0	0	0	112.4	H188 F259 Y262 N300 W302 G310 F312	H188-W306 VanDerWaalsContact CD2-CB 3.45Å; H188-W306 WeakPolarHBondContact CD2-CB 3.19Å; H188-W306 AromaticContact CD2-CD1 3.49Å; H188-W306 VanDerWaalsContact CD2-CD1 3.49Å; H188-W306 AromaticContact CD2-CG 3.81Å; H188-W306 AromaticContact CE1-CD1 3.57Å; H188-W306 AromaticContact CG-CD1 3.95Å; H188-W306 AromaticContact ND1-CD1 3.99Å; H188-W306 WeakPolarHBondContact NE2-CB 3.36Å; H188-W306 AromaticContact NE2-CD1 3.21Å; H188-W306 AromaticContact NE2-CG 3.5Å; F259-W306 HydrophobicContact CD1-CZ2 4.13Å; F259-W306 AromaticContact CE1-CH2 3.71Å; F259-W306 HydrophobicContact CE1-CH2 3.71Å; F259-W306 AromaticContact CE1-CZ2 3.49Å; F259-W306 HydrophobicContact CE1-CZ2 3.49Å; F259-W306 VanDerWaalsContact CE1-CZ2 3.49Å; F259-W306 AromaticContact CE2-CH2 3.99Å; F259-W306 HydrophobicContact CE2-CH2 3.99Å; F259-W306 HydrophobicContact CE2-CZ2 4.21Å; F259-W306 AromaticContact CZ-CH2 3.3Å; F259-W306 HydrophobicContact CZ-CH2 3.3Å; F259-W306 AromaticContact CZ-CZ2 3.56Å; F259-W306 HydrophobicContact CZ-CZ2 3.56Å; F259-W306 HydrophobicContact CZ-CZ3 4.45Å; Y262-W306 AromaticContact CD1-CH2 3.98Å; Y262-W306 HydrophobicContact CD1-CH2 3.98Å; Y262-W306 HydrophobicContact CD1-CZ2 4.32Å; Y262-W306 HydrophobicContact CD1-CZ3 4.47Å; Y262-W306 HydrophobicContact CG-CH2 4.49Å; N300-W306 HydrophobicContact CB-CE3 3.81Å; N300-W306 HydrophobicContact CB-CZ3 3.72Å; N300-W306 VanDerWaalsContact ND2-CZ3 3.26Å; N300-W306 WeakPolarHBondContact ND2-CZ3 3.29Å; W302-W306 AromaticContact CE3-CD1 3.89Å; W302-W306 HydrophobicContact CE3-CD2 4.06Å; W302-W306 AromaticContact CE3-CE2 3.82Å; W302-W306 HydrophobicContact CE3-CG 4.11Å; W302-W306 HydrophobicContact CE3-CZ2 4.41Å; W302-W306 AromaticContact CE3-NE1 3.69Å; W302-W306 AromaticContact CZ3-CE2 3.87Å; W302-W306 HydrophobicContact CZ3-CZ2 4.11Å; W302-W306 AromaticContact CZ3-NE1 3.76Å; W306-G310 VanDerWaalsContact O-CA 3.27Å; W306-G310 WeakPolarHBondContact O-CA 3.42Å; W306-G310 PolarHBondContact O-N 2.95Å; W306-F312 HydrophobicContact CH2-CB 3.74Å; W306-F312 AromaticContact CH2-CD1 3.84Å; W306-F312 HydrophobicContact CH2-CD1 3.84Å; W306-F312 AromaticContact CH2-CG 3.84Å; W306-F312 HydrophobicContact CH2-CG 3.84Å; W306-F312 HydrophobicContact CZ3-CB 3.77Å; W306-F312 AromaticContact CZ3-CD1 3.66Å; W306-F312 HydrophobicContact CZ3-CD1 3.66Å; W306-F312 AromaticContact CZ3-CG 3.98Å; W306-F312 HydrophobicContact CZ3-CG 3.98Å
307	G	90.7	Very high	95.4	Very high	13 Å²	13	27.5 Å²	27.5	13%	0.134	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	-140.3	171.1	0	0	0	0	0	114.1	Y262 K309	Y262-G307 VanDerWaalsContact O-CA 3.31Å; Y262-G307 WeakPolarHBondContact O-CA 3.01Å; G307-K309 PolarHBondContact O-N 3.29Å
308	D	92.6	Very high	95.3	Very high	44 Å²	44	30 Å²	30	24%	0.235	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-89.7	79.7	173.2	-177.1	23.6	0	0	0	109.8	G310 F311	D308-G310 VanDerWaalsContact C-N 3.26Å; D308-G310 PolarHBondContact O-N 3.38Å; D308-F311 PolarHBondContact N-O 3.05Å; D308-F311 WeakPolarHBondContact O-CB 3Å; D308-F311 PolarHBondContact O-N 2.83Å
309	K	92.9	Very high	95.3	Very high	154 Å²	154	32.2 Å²	32.2	67%	0.67	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	36.9	-179.9	-55.9	177.9	-175.8	172.7	0	113.6	I98 N304 G307	I98-K309 WeakPolarHBondContact CG1-O 3.12Å; N304-K309 CarbonylContact O-C 3.5Å; N304-K309 WeakPolarHBondContact O-CA 3.36Å; G307-K309 PolarHBondContact O-N 3.29Å
310	G	94.3	Very high	95.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	-5.7	-175.2	0	0	0	0	0	114.8	N300 N303 W306 D308	N300-G310 WeakPolarHBondContact CB-O 3.4Å; N300-G310 PolarHBondContact N-O 2.78Å; N303-G310 VanDerWaalsContact O-CA 3.31Å; N303-G310 WeakPolarHBondContact O-CA 2.89Å; W306-G310 VanDerWaalsContact O-CA 3.27Å; W306-G310 WeakPolarHBondContact O-CA 3.42Å; W306-G310 PolarHBondContact O-N 2.95Å; D308-G310 VanDerWaalsContact C-N 3.26Å; D308-G310 PolarHBondContact O-N 3.38Å
311	F	96.8	Very high	95.4	Very high	17 Å²	17	34.3 Å²	34.3	8%	0.075	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	161.3	174.4	-60.4	-91.3	0	0	0	111.4	I98 L285 L297 A298 A299 D308	I98-F311 HydrophobicContact CD1-CD1 4.1Å; I98-F311 HydrophobicContact CD1-CD2 3.95Å; I98-F311 HydrophobicContact CD1-CE1 3.79Å; I98-F311 HydrophobicContact CD1-CE2 3.62Å; I98-F311 HydrophobicContact CD1-CG 4.18Å; I98-F311 HydrophobicContact CD1-CZ 3.53Å; I98-F311 HydrophobicContact CG1-CD2 4.11Å; I98-F311 HydrophobicContact CG1-CE2 3.59Å; I98-F311 HydrophobicContact CG1-CZ 3.88Å; L285-F311 HydrophobicContact CD1-CE1 4.11Å; L285-F311 HydrophobicContact CD2-CD1 4.18Å; L285-F311 HydrophobicContact CD2-CE1 4.16Å; L297-F311 HydrophobicContact CD1-CB 4.42Å; A298-F311 VanDerWaalsContact O-CA 3.32Å; A298-F311 WeakPolarHBondContact O-CA 3.44Å; A299-F311 HydrophobicContact CB-CD1 3.94Å; A299-F311 HydrophobicContact CB-CE1 3.82Å; D308-F311 PolarHBondContact N-O 3.05Å; D308-F311 WeakPolarHBondContact O-CB 3Å; D308-F311 PolarHBondContact O-N 2.83Å
312	F	97.7	Very high	95.4	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	163	169.4	67.6	-75.6	0	0	0	111.4	F253 F259 Y262 I282 A298 N300 W306 I314	F253-F312 HydrophobicContact CE1-CZ 4.09Å; F253-F312 HydrophobicContact CZ-CE2 4.38Å; F253-F312 HydrophobicContact CZ-CZ 4.1Å; F259-F312 AromaticContact CE2-CD2 3.68Å; F259-F312 HydrophobicContact CE2-CD2 3.68Å; F259-F312 AromaticContact CE2-CE2 3.74Å; F259-F312 HydrophobicContact CE2-CE2 3.74Å; F259-F312 HydrophobicContact CE2-CG 4.26Å; F259-F312 HydrophobicContact CE2-CZ 4.36Å; F259-F312 HydrophobicContact CZ-CD1 4.3Å; F259-F312 AromaticContact CZ-CD2 3.9Å; F259-F312 HydrophobicContact CZ-CD2 3.9Å; F259-F312 HydrophobicContact CZ-CE1 4.21Å; F259-F312 AromaticContact CZ-CE2 3.79Å; F259-F312 HydrophobicContact CZ-CE2 3.79Å; F259-F312 HydrophobicContact CZ-CG 4.15Å; F259-F312 AromaticContact CZ-CZ 3.94Å; F259-F312 HydrophobicContact CZ-CZ 3.94Å; Y262-F312 HydrophobicContact CD1-CB 3.71Å; Y262-F312 HydrophobicContact CE1-CB 3.35Å; Y262-F312 HydrophobicContact CG-CB 4.5Å; I282-F312 HydrophobicContact CG1-CZ 4.25Å; I282-F312 HydrophobicContact CG2-CE1 4.08Å; I282-F312 HydrophobicContact CG2-CZ 4.17Å; A298-F312 HydrophobicContact CB-CD1 3.96Å; A298-F312 HydrophobicContact CB-CD2 4.48Å; A298-F312 HydrophobicContact CB-CE1 3.44Å; A298-F312 VanDerWaalsContact CB-CE1 3.44Å; A298-F312 HydrophobicContact CB-CE2 4.02Å; A298-F312 HydrophobicContact CB-CG 4.47Å; A298-F312 HydrophobicContact CB-CZ 3.49Å; A298-F312 VanDerWaalsContact CB-CZ 3.49Å; A298-F312 PolarHBondContact N-O 2.8Å; A298-F312 PolarHBondContact O-N 3.09Å; N300-F312 HydrophobicContact CB-CD1 4.26Å; N300-F312 HydrophobicContact CB-CE1 4.25Å; W306-F312 HydrophobicContact CH2-CB 3.74Å; W306-F312 AromaticContact CH2-CD1 3.84Å; W306-F312 HydrophobicContact CH2-CD1 3.84Å; W306-F312 AromaticContact CH2-CG 3.84Å; W306-F312 HydrophobicContact CH2-CG 3.84Å; W306-F312 HydrophobicContact CZ3-CB 3.77Å; W306-F312 AromaticContact CZ3-CD1 3.66Å; W306-F312 HydrophobicContact CZ3-CD1 3.66Å; W306-F312 AromaticContact CZ3-CG 3.98Å; W306-F312 HydrophobicContact CZ3-CG 3.98Å; F312-I314 HydrophobicContact CD2-CB 4.16Å; F312-I314 HydrophobicContact CD2-CG2 4.28Å; F312-I314 HydrophobicContact CE2-CB 3.96Å; F312-I314 HydrophobicContact CE2-CG2 3.79Å
313	K	98.4	Very high	95.6	Very high	30 Å²	30	35.1 Å²	35.1	13%	0.13	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.9	170.6	-62.8	166.6	-177.2	155.9	0	108.6	Y262 V268 Y269 E290 Y295 W296	Y262-K313 PolarHBondContact OH-N 3.19Å; Y262-K313 VanDerWaalsContact OH-N 3.15Å; V268-K313 HydrophobicContact CG2-CB 4.4Å; Y269-K313 VanDerWaalsContact CB-O 3.31Å; Y269-K313 WeakPolarHBondContact CB-O 3.46Å; Y269-K313 PolarHBondContact N-O 3.4Å; E290-K313 IonicContact OE2-NZ 3.72Å; E290-K313 PolarHBondContact OE2-NZ 2.99Å; Y295-K313 HydrophobicContact CD1-CD 4.1Å; Y295-K313 HydrophobicContact CD1-CG 4.5Å; Y295-K313 HydrophobicContact CD2-CB 3.97Å; Y295-K313 HydrophobicContact CD2-CD 4.06Å; Y295-K313 HydrophobicContact CD2-CG 3.66Å; Y295-K313 HydrophobicContact CE1-CD 4.03Å; Y295-K313 HydrophobicContact CE2-CD 4.03Å; Y295-K313 HydrophobicContact CE2-CG 3.9Å; Y295-K313 HydrophobicContact CG-CB 3.97Å; Y295-K313 HydrophobicContact CG-CD 4.12Å; Y295-K313 HydrophobicContact CG-CG 4.01Å; W296-K313 VanDerWaalsContact O-CA 3.31Å; W296-K313 WeakPolarHBondContact O-CA 3.11Å
314	I	98.5	Very high	95.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.4	177	177.7	167.4	0	0	0	109.2	F253 Y269 Y295 W296 F312 R316 E320 I323	F253-I314 HydrophobicContact CD2-CD1 4.18Å; F253-I314 HydrophobicContact CE2-CD1 4.47Å; Y269-I314 HydrophobicContact CD1-CB 4.38Å; Y269-I314 HydrophobicContact CD1-CD1 3.79Å; Y269-I314 HydrophobicContact CD1-CG1 3.87Å; Y269-I314 HydrophobicContact CE1-CD1 4.18Å; Y295-I314 CarbonylContact C-O 3.37Å; Y295-I314 WeakPolarHBondContact CA-O 3.24Å; Y295-I314 WeakPolarHBondContact CB-O 3.21Å; W296-I314 HydrophobicContact CB-CG2 4.08Å; W296-I314 PolarHBondContact N-O 3.21Å; W296-I314 PolarHBondContact O-N 3.02Å; F312-I314 HydrophobicContact CD2-CB 4.16Å; F312-I314 HydrophobicContact CD2-CG2 4.28Å; F312-I314 HydrophobicContact CE2-CB 3.96Å; F312-I314 HydrophobicContact CE2-CG2 3.79Å; I314-R316 PolarHBondContact O-N 3.47Å; I314-E320 HydrophobicContact CD1-CB 4.34Å; I314-E320 HydrophobicContact CD1-CG 4.13Å; I314-E320 HydrophobicContact CG1-CB 4.1Å; I314-E320 HydrophobicContact CG1-CG 3.93Å; I314-I323 HydrophobicContact CB-CD1 4.47Å; I314-I323 HydrophobicContact CD1-CB 4.41Å; I314-I323 HydrophobicContact CD1-CD1 4.03Å; I314-I323 HydrophobicContact CD1-CG2 4.4Å; I314-I323 HydrophobicContact CG2-CD1 3.3Å
315	R	98.4	Very high	96.2	Very high	88 Å²	88	34 Å²	34	33%	0.332	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	134.4	-174.1	-172.1	174.6	178.6	165.9	1	111.5	V268 Y269 Q270 N318 E320	V268-R315 HydrophobicContact CG1-CB 4.08Å; V268-R315 VanDerWaalsContact CG1-N 3.33Å; Y269-R315 PolarHBondContact O-N 3.37Å; Q270-R315 VanDerWaalsContact CD-CD 3.47Å; Q270-R315 HydrophobicContact CG-CB 3.84Å; Q270-R315 HydrophobicContact CG-CG 4.38Å; R315-N318 WeakPolarHBondContact CD-ND2 3.4Å; R315-N318 WeakPolarHBondContact CG-OD1 3.22Å; R315-E320 HydrophobicContact CB-CB 4.04Å; R315-E320 HydrophobicContact CB-CG 4.14Å; R315-E320 WeakPolarHBondContact O-CB 3.42Å
316	R	98.6	Very high	96.6	Very high	18 Å²	18	33 Å²	33	7%	0.068	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	147.8	180	168.1	172.3	60.8	87.1	-1.1	110.6	Q236 G288 P294 Y295 W296 I314	Q236-R316 HydrophobicContact CG-CG 3.85Å; G288-R316 PolarHBondContact O-NH2 3.28Å; P294-R316 HydrophobicContact CB-CB 4.41Å; P294-R316 WeakPolarHBondContact CG-O 3.24Å; P294-R316 PolarHBondContact O-N 2.82Å; Y295-R316 PolarHBondContact O-NE 2.02Å; W296-R316 HydrophobicContact CD2-CB 4.11Å; W296-R316 HydrophobicContact CD2-CG 3.92Å; W296-R316 VanDerWaalsContact CE2-CD 3.42Å; W296-R316 HydrophobicContact CG-CB 3.99Å; W296-R316 HydrophobicContact CG-CG 4.33Å; W296-R316 HydrophobicContact CH2-CG 4.31Å; W296-R316 VanDerWaalsContact CZ2-CD 3.48Å; W296-R316 HydrophobicContact CZ2-CG 3.63Å; I314-R316 PolarHBondContact O-N 3.47Å
317	G	97.6	Very high	97	Very high	42 Å²	42	33 Å²	33	43%	0.433	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	7.2	172.7	0	0	0	0	0	114.6	Q236 E324	Q236-G317 VanDerWaalsContact OE1-CA 3.24Å; G317-E324 PolarHBondContact N-OE1 2.84Å
318	N	97.6	Very high	97.4	Very high	68 Å²	68	32.7 Å²	32.7	36%	0.364	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.4	14.1	176	73	-40.8	0	0	0	113	R315 E320	R315-N318 WeakPolarHBondContact CD-ND2 3.4Å; R315-N318 WeakPolarHBondContact CG-OD1 3.22Å; N318-E320 PolarHBondContact ND2-OE2 3.48Å; N318-E320 PolarHBondContact O-N 3.37Å; N318-E320 PolarHBondContact OD1-N 3.5Å
319	D	98.4	Very high	97.7	Very high	47 Å²	47	30.6 Å²	30.6	25%	0.251	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	44.6	-174.1	-164.8	26.7	0	0	0	112.9	C321 G322 I323 E324 S325	D319-C321 PolarHBondContact O-N 2.89Å; D319-C321 VanDerWaalsContact O-N 3.15Å; D319-G322 PolarHBondContact O-N 3.1Å; D319-G322 WeakPolarHBondContact OD1-CA 3.38Å; D319-I323 PolarHBondContact OD1-N 3.31Å; D319-E324 HydrophobicContact CB-CB 4.29Å; D319-E324 PolarHBondContact N-OE2 2.91Å; D319-E324 WeakPolarHBondContact OD1-CA 3.25Å; D319-E324 WeakPolarHBondContact OD1-CB 3.05Å; D319-E324 PolarHBondContact OD1-N 3.34Å; D319-S325 PolarHBondContact OD1-N 3.14Å; D319-S325 VanDerWaalsContact OD1-N 3.16Å; D319-S325 PolarHBondContact OD2-OG 3.35Å
320	E	98.6	Very high	97.9	Very high	24 Å²	24	23.3 Å²	23.3	11%	0.112	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-52.5	121.8	-178.2	-172.7	67	-154.2	0	0	110.4	H271 I314 R315 N318 G322 I323	H271-E320 PolarHBondContact N-OE1 3.41Å; I314-E320 HydrophobicContact CD1-CB 4.34Å; I314-E320 HydrophobicContact CD1-CG 4.13Å; I314-E320 HydrophobicContact CG1-CB 4.1Å; I314-E320 HydrophobicContact CG1-CG 3.93Å; R315-E320 HydrophobicContact CB-CB 4.04Å; R315-E320 HydrophobicContact CB-CG 4.14Å; R315-E320 WeakPolarHBondContact O-CB 3.42Å; N318-E320 PolarHBondContact ND2-OE2 3.48Å; N318-E320 PolarHBondContact O-N 3.37Å; N318-E320 PolarHBondContact OD1-N 3.5Å; E320-G322 PolarHBondContact O-N 2.79Å; E320-I323 WeakPolarHBondContact O-CB 3.3Å; E320-I323 VanDerWaalsContact O-CG2 3.29Å; E320-I323 WeakPolarHBondContact O-CG2 3.33Å; E320-I323 PolarHBondContact O-N 3.26Å; E320-I323 VanDerWaalsContact O-N 3.09Å
321	C	98.4	Very high	97.9	Very high	20 Å²	20	25.1 Å²	25.1	14%	0.135	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	55.7	17.4	-176.1	-56.4	0	0	0	0	115.1	F253 S254 Y256 D319	F253-C321 HydrophobicContact CB-CB 4.34Å; F253-C321 HydrophobicContact CD2-CB 3.95Å; S254-C321 WeakPolarHBondContact CB-O 3.45Å; S254-C321 PolarHBondContact N-O 3.09Å; S254-C321 WeakPolarHBondContact O-CB 3.27Å; S254-C321 PolarHBondContact OG-O 2.72Å; Y256-C321 HydrophobicContact CE2-CB 4.43Å; D319-C321 PolarHBondContact O-N 2.89Å; D319-C321 VanDerWaalsContact O-N 3.15Å
322	G	98.4	Very high	97.8	Very high	21 Å²	21	24.5 Å²	24.5	22%	0.216	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	82.1	14.1	-177.2	0	0	0	0	0	114.8	D319 E320 E324 S325	D319-G322 PolarHBondContact O-N 3.1Å; D319-G322 WeakPolarHBondContact OD1-CA 3.38Å; E320-G322 PolarHBondContact O-N 2.79Å; G322-E324 PolarHBondContact O-N 2.96Å; G322-S325 WeakPolarHBondContact O-CB 3.18Å; G322-S325 PolarHBondContact O-N 2.04Å; G322-S325 VanDerWaalsContact O-N 3.07Å
323	I	98.7	Very high	97.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-20.8	-173	-164.8	168.2	0	0	0	114.7	A251 F253 I282 I284 I314 D319 E320	A251-I323 HydrophobicContact CB-CG1 4.41Å; F253-I323 HydrophobicContact CB-CB 3.85Å; F253-I323 HydrophobicContact CB-CG1 4.15Å; I282-I323 HydrophobicContact CD1-CD1 4.29Å; I284-I323 HydrophobicContact CD1-CD1 4.23Å; I284-I323 HydrophobicContact CD1-CG1 4.02Å; I314-I323 HydrophobicContact CB-CD1 4.47Å; I314-I323 HydrophobicContact CD1-CB 4.41Å; I314-I323 HydrophobicContact CD1-CD1 4.03Å; I314-I323 HydrophobicContact CD1-CG2 4.4Å; I314-I323 HydrophobicContact CG2-CD1 3.3Å; D319-I323 PolarHBondContact OD1-N 3.31Å; E320-I323 WeakPolarHBondContact O-CB 3.3Å; E320-I323 VanDerWaalsContact O-CG2 3.29Å; E320-I323 WeakPolarHBondContact O-CG2 3.33Å; E320-I323 PolarHBondContact O-N 3.26Å; E320-I323 VanDerWaalsContact O-N 3.09Å
324	E	98.7	Very high	95.6	Very high	9 Å²	9	36.3 Å²	36.3	4%	0.042	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-12.9	178.6	-61	170.4	175.7	0	0	111.5	S234 I239 W296 G317 D319 G322	S234-E324 WeakPolarHBondContact CA-O 3.34Å; S234-E324 WeakPolarHBondContact CB-O 3.1Å; S234-E324 PolarHBondContact OG-O 3.25Å; I239-E324 HydrophobicContact CD1-CB 3.79Å; I239-E324 HydrophobicContact CD1-CG 3.96Å; W296-E324 PolarHBondContact NE1-OE1 3.08Å; G317-E324 PolarHBondContact N-OE1 2.84Å; D319-E324 HydrophobicContact CB-CB 4.29Å; D319-E324 PolarHBondContact N-OE2 2.91Å; D319-E324 WeakPolarHBondContact OD1-CA 3.25Å; D319-E324 WeakPolarHBondContact OD1-CB 3.05Å; D319-E324 PolarHBondContact OD1-N 3.34Å; G322-E324 PolarHBondContact O-N 2.96Å
325	S	97.6	Very high	95.4	Very high	49 Å²	49	38.1 Å²	38.1	34%	0.343	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-29	-174.9	-84.1	0	0	0	0	115	D319 G322	D319-S325 PolarHBondContact OD1-N 3.14Å; D319-S325 VanDerWaalsContact OD1-N 3.16Å; D319-S325 PolarHBondContact OD2-OG 3.35Å; G322-S325 WeakPolarHBondContact O-CB 3.18Å; G322-S325 PolarHBondContact O-N 2.04Å; G322-S325 VanDerWaalsContact O-N 3.07Å
326	E	96.6	Very high	95.3	Very high	47 Å²	47	35.5 Å²	35.5	22%	0.22	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	57.5	-174.1	-70.8	-172.9	-134.1	0	0	111.9	K63 A251 A252	K63-E326 VanDerWaalsContact N-CD 3.35Å; K63-E326 PolarHBondContact N-OE1 3.04Å; K63-E326 PolarHBondContact N-OE2 3.37Å; A251-E326 WeakPolarHBondContact CA-O 3.14Å; A252-E326 HydrophobicContact CB-CB 4.16Å; A252-E326 PolarHBondContact N-O 3.34Å
327	V	98.6	Very high	95.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.6	176.8	-175.9	0	0	0	0	110.5	S231 I232 I239 V249 E250 A251	S231-V327 WeakPolarHBondContact CA-O 3.27Å; I232-V327 HydrophobicContact CB-CB 4.19Å; I232-V327 HydrophobicContact CB-CG1 3.98Å; I232-V327 HydrophobicContact CG1-CG1 3.98Å; I232-V327 PolarHBondContact N-O 2.89Å; I239-V327 HydrophobicContact CD1-CG2 3.85Å; I239-V327 HydrophobicContact CG1-CG2 4.17Å; V249-V327 HydrophobicContact CB-CG1 3.83Å; V249-V327 HydrophobicContact CG1-CG1 4.29Å; V249-V327 HydrophobicContact CG2-CG1 3.53Å; E250-V327 WeakPolarHBondContact O-CA 3.31Å; A251-V327 HydrophobicContact CB-CG2 4.01Å
328	V	98.4	Very high	94.9	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.4	179.9	-65.9	0	0	0	0	111.9	L67 W157 Y230 E250	L67-V328 HydrophobicContact CD1-CB 4.18Å; L67-V328 HydrophobicContact CD1-CG1 3.94Å; W157-V328 HydrophobicContact CG-CG2 4.47Å; Y230-V328 WeakPolarHBondContact O-CA 3.44Å; E250-V328 HydrophobicContact CB-CG2 4.05Å; E250-V328 HydrophobicContact CG-CG2 4.34Å; E250-V328 PolarHBondContact N-O 3.06Å; E250-V328 VanDerWaalsContact N-O 3.12Å; E250-V328 PolarHBondContact O-N 2.94Å
329	A	98.1	Very high	94.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	179	-176.9	0	0	0	0	0	111.9	W157 S229 Y230 V249	W157-A329 VanDerWaalsContact CE3-C 3.41Å; S229-A329 WeakPolarHBondContact CA-O 3.22Å; Y230-A329 HydrophobicContact CD2-CB 4.19Å; Y230-A329 HydrophobicContact CE2-CB 3.62Å; Y230-A329 PolarHBondContact N-O 3.39Å; Y230-A329 PolarHBondContact O-N 3.13Å; V249-A329 HydrophobicContact CG1-CB 4.03Å
330	G	96.7	Very high	94.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	165.9	176.7	0	0	0	0	0	110.3	R119 W157	R119-G330 VanDerWaalsContact CD-O 3.23Å; R119-G330 WeakPolarHBondContact CD-O 3.27Å; R119-G330 PolarHBondContact NH1-O 3.22Å; W157-G330 VanDerWaalsContact CE3-N 3.3Å
331	M	95.4	Very high	94.2	Very high	38 Å²	38	33.9 Å²	33.9	19%	0.187	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136.8	179.1	-64.9	-60.1	-71.2	0	0	109.7	Q123 W160 G224 R225 Y230 N246	Q123-M331 HydrophobicContact CG-CE 3.93Å; Q123-M331 VanDerWaalsContact OE1-CE 3.31Å; W160-M331 VanDerWaalsContact CH2-C 3.45Å; W160-M331 WeakPolarHBondContact CH2-O 3.47Å; G224-M331 CarbonylContact C-O 3.45Å; G224-M331 WeakPolarHBondContact CA-O 3.41Å; R225-M331 HydrophobicContact CB-CB 4.3Å; R225-M331 WeakPolarHBondContact CB-O 3.42Å; R225-M331 PolarHBondContact N-O 2.63Å; Y230-M331 HydrophobicContact CE1-CG 4.21Å; N246-M331 HydrophobicContact CB-SD 3.99Å
332	P	93.8	Very high	93.9	Very high	5 Å²	5	35 Å²	35	3%	0.032	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	147.4	177.4	27.3	-33.9	0	0	0	111.7	L120 Q123 W160 R225 N334	L120-P332 HydrophobicContact CD2-CB 3.49Å; L120-P332 VanDerWaalsContact CD2-CB 3.49Å; L120-P332 HydrophobicContact CD2-CG 4.42Å; L120-P332 HydrophobicContact CG-CB 4.09Å; Q123-P332 HydrophobicContact CB-CG 3.66Å; Q123-P332 HydrophobicContact CG-CG 3.7Å; W160-P332 HydrophobicContact CH2-CB 4.23Å; W160-P332 HydrophobicContact CZ2-CB 4.07Å; R225-P332 WeakPolarHBondContact CB-O 3.5Å; P332-N334 PolarHBondContact O-N 3.22Å
333	L	87.8	Confident	93.5	Very high	98 Å²	98	36.2 Å²	36.2	51%	0.513	20%	0.196	S	C	.	.			trans	-69.9	119.5	170.7	-174.6	67.5	0	0	0	108.9	F223 R225	F223-L333 HydrophobicContact CB-CB 4.4Å; F223-L333 HydrophobicContact CB-CD2 4.24Å; F223-L333 VanDerWaalsContact O-CB 3.24Å; F223-L333 WeakPolarHBondContact O-CB 3.29Å; F223-L333 PolarHBondContact O-N 3.47Å; R225-L333 HydrophobicContact CG-CD1 4.48Å
334	N	62.3	Low	93.1	Very high	180 Å²	180	39.5 Å²	39.5	96%	0.963	21%	0.213	S	C	*	.			trans	-62.6	0	176.2	-67.3	-3.3	0	0	0	112.5	P332	P332-N334 PolarHBondContact O-N 3.22Å

Retrieved 334 of 334 residues in 766.1 ms (Link to these results)

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