A0A087X3S1_POEFO Loading...

GDP-mannose 4,6 dehydratase

Catalyzes the conversion of GDP-D-mannose to GDP-4-dehydro-6-deoxy-D-mannose.

AlphaFold DB , UniProt , Accession A0A087X3S1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 371 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	35.8	Very low	239 Å²	239	137.6 Å²	137.6	100%	1.177	87%	0.871	S	S	*	*				0	92.3	0	-72.3	-171.7	-101.2	0	0	106
2	A	37.7	Very low	35.8	Very low	89 Å²	89	135.8 Å²	135.8	74%	0.736	87%	0.866	S	S	*	*				78.3	133.7	100.7	0	0	0	0	0	110.8
3	Q	34.1	Very low	35.8	Very low	187 Å²	187	134.2 Å²	134.2	87%	0.874	86%	0.862	S	S	*	*			cis	-170	146.6	-2.5	-122.1	167.7	-17.5	0	0	104.8
4	C	34.9	Very low	36.2	Very low	134 Å²	134	131.4 Å²	131.4	91%	0.905	86%	0.855	S	S	*	*			trans	-61.5	138.2	165.7	-79.9	0	0	0	0	110.5
5	S	38.3	Very low	36.5	Very low	111 Å²	111	133.5 Å²	133.5	78%	0.776	86%	0.857	S	S	*	*			trans	-110.3	106.1	171	60.9	0	0	0	0	111.6
6	D	36.2	Very low	36.8	Very low	162 Å²	162	129.8 Å²	129.8	87%	0.866	85%	0.851	S	S	*	*			trans	45.5	122.4	135.2	-63.9	-32.3	0	0	0	123.5
7	A	37.1	Very low	37.2	Very low	93 Å²	93	132.6 Å²	132.6	77%	0.769	85%	0.847	S	S	*	*			trans	-79.1	137.7	162.9	0	0	0	0	0	111.9
8	A	35.8	Very low	37.5	Very low	106 Å²	106	134.7 Å²	134.7	88%	0.876	85%	0.85	S	S	*	*			trans	-93.6	110.5	164.7	0	0	0	0	0	110
9	K	35	Very low	38.1	Very low	207 Å²	207	134.7 Å²	134.7	90%	0.9	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-76.8	124.1	170.7	-76.9	175.9	174.6	175.6	0	110
10	A	36.3	Very low	39.2	Very low	104 Å²	104	138 Å²	138	86%	0.86	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-78.9	120.8	162.4	0	0	0	0	0	109.2
11	G	32.2	Very low	41.1	Very low	82 Å²	82	139.4 Å²	139.4	85%	0.845	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-72.7	124	178.1	0	0	0	0	0	111.9
12	S	35.9	Very low	43.7	Very low	116 Å²	116	134.7 Å²	134.7	81%	0.811	81%	0.813	S	S	*	*			trans	-93.4	108.8	165.3	150.9	0	0	0	0	108.2	A14	S12-A14 PolarHBondContact O-N 3.41Å
13	S	35.6	Very low	46.5	Very low	115 Å²	115	132.8 Å²	132.8	80%	0.804	79%	0.79	S	S	*	*			trans	-67.3	107.7	172	54.5	0	0	0	0	110.5	N15	S13-N15 PolarHBondContact O-N 3.22Å
14	A	41.5	Very low	49.5	Very low	94 Å²	94	124 Å²	124	78%	0.777	75%	0.749	S	S	*	*			trans	-75.4	115.3	171.4	0	0	0	0	0	110	S12 G16	S12-A14 PolarHBondContact O-N 3.41Å; A14-G16 PolarHBondContact O-N 2.71Å
15	N	41.3	Very low	52.6	Low	163 Å²	163	117.6 Å²	117.6	87%	0.872	71%	0.706	S	S	*	*			trans	-72	90.4	166.2	-109.2	-12.9	0	0	0	108.6	S13 K17	S13-N15 PolarHBondContact O-N 3.22Å; N15-K17 VanDerWaalsContact C-N 3.34Å; N15-K17 PolarHBondContact O-N 2.97Å
16	G	40.5	Very low	55.5	Low	75 Å²	75	112.3 Å²	112.3	77%	0.773	67%	0.669	S	S	*	*			trans	-72.8	85	170.3	0	0	0	0	0	110.6	A14	A14-G16 PolarHBondContact O-N 2.71Å
17	K	43.4	Very low	58.5	Low	178 Å²	178	104.6 Å²	104.6	77%	0.774	63%	0.628	S	S	*	*			trans	-73.6	120.8	157.3	-75.2	-175.9	176.7	-179.4	0	106.5	N15 V19	N15-K17 VanDerWaalsContact C-N 3.34Å; N15-K17 PolarHBondContact O-N 2.97Å; K17-V19 VanDerWaalsContact C-N 3.27Å; K17-V19 PolarHBondContact O-N 3.48Å
18	D	42.8	Very low	61.4	Low	170 Å²	170	100.2 Å²	100.2	91%	0.909	59%	0.592	S	S	*	*			trans	-55.1	93.4	166	-84.2	-39.2	0	0	0	108.7	K20	D18-K20 VanDerWaalsContact C-N 3.32Å; D18-K20 PolarHBondContact O-N 3.49Å
19	V	49.9	Very low	64.4	Low	135 Å²	135	96.2 Å²	96.2	82%	0.818	56%	0.561	S	S	*	*			trans	-70.5	97.4	172.3	-179.1	0	0	0	0	105.5	K17 K21	K17-V19 VanDerWaalsContact C-N 3.27Å; K17-V19 PolarHBondContact O-N 3.48Å; V19-K21 PolarHBondContact O-N 3.43Å
20	K	60.3	Low	67.4	Low	199 Å²	199	86.4 Å²	86.4	87%	0.865	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-49.2	119.1	175.1	-148.1	177.9	-173.4	-176.5	0	108.1	D18 R22	D18-K20 VanDerWaalsContact C-N 3.32Å; D18-K20 PolarHBondContact O-N 3.49Å; K20-R22 PolarHBondContact O-N 3.22Å; K20-R22 VanDerWaalsContact O-N 3.16Å
21	K	77.3	Confident	70.4	Confident	169 Å²	169	82.9 Å²	82.9	74%	0.735	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-54	121.3	-177.2	-166.8	177.5	-178.3	-176.2	0	108.9	V19 N23	V19-K21 PolarHBondContact O-N 3.43Å; K21-N23 PolarHBondContact O-N 3.32Å
22	R	91.3	Very high	73.5	Confident	140 Å²	140	80.2 Å²	80.2	53%	0.528	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-70.1	116.8	178.3	177.1	175.7	-178.2	-139.8	-7.2	108.1	K20 V24 V99 T102	K20-R22 PolarHBondContact O-N 3.22Å; K20-R22 VanDerWaalsContact O-N 3.16Å; R22-V24 HydrophobicContact CG-CG2 3.69Å; R22-V99 PolarHBondContact NH2-O 3.38Å; R22-T102 WeakPolarHBondContact O-CG2 3.46Å
23	N	96.6	Very high	76.5	Confident	48 Å²	48	75.3 Å²	75.3	26%	0.257	42%	0.423	S	S	.	.			trans	-115.6	99.9	-179.1	-71.3	-14.7	0	0	0	109.3	K21 Y47 E48	K21-N23 PolarHBondContact O-N 3.32Å; N23-Y47 HydrophobicContact CB-CD1 3.69Å; N23-Y47 HydrophobicContact CB-CD2 4.08Å; N23-Y47 HydrophobicContact CB-CE1 3.72Å; N23-Y47 HydrophobicContact CB-CE2 4.1Å; N23-Y47 HydrophobicContact CB-CG 3.87Å; N23-Y47 WeakPolarHBondContact O-CA 3.11Å; N23-E48 PolarHBondContact O-N 2.95Å
24	V	98.4	Very high	79.5	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.012	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.5	-175.9	-176.9	0	0	0	0	108.8	R22 E48 V99 T102 E103	R22-V24 HydrophobicContact CG-CG2 3.69Å; V24-E48 CarbonylContact C-O 3.53Å; V24-E48 WeakPolarHBondContact CA-O 3.17Å; V24-E48 HydrophobicContact CG1-CB 4.44Å; V24-E48 HydrophobicContact CG2-CB 4.18Å; V24-V99 HydrophobicContact CG1-CG1 3.61Å; V24-T102 PolarHBondContact N-OG1 2.73Å; V24-T102 PolarHBondContact O-N 3.07Å; V24-T102 PolarHBondContact O-OG1 2.94Å; V24-T102 VanDerWaalsContact O-OG1 3.1Å; V24-E103 PolarHBondContact O-N 2.78Å; V24-E103 VanDerWaalsContact O-N 3.15Å
25	A	98.8	Very high	82.2	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.3	-178.2	0	0	0	0	0	111.6	L42 Y47 E48 H50 E103 Y105	A25-L42 HydrophobicContact CB-CD1 3.67Å; A25-Y47 HydrophobicContact CB-CD1 4.1Å; A25-E48 PolarHBondContact N-O 2.84Å; A25-H50 PolarHBondContact O-N 2.89Å; A25-E103 CarbonylContact C-O 3.07Å; A25-E103 VanDerWaalsContact CA-O 3.28Å; A25-E103 WeakPolarHBondContact CA-O 3.43Å; A25-Y105 HydrophobicContact CB-CD2 4.44Å; A25-Y105 HydrophobicContact CB-CE2 4.23Å
26	I	98.9	Very high	84.9	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.9	160	-67.5	174.1	0	0	0	108.9	H50 I52 I95 I96 V99 P101 E103 I104 Y105	I26-H50 CarbonylContact C-O 3.59Å; I26-H50 VanDerWaalsContact CA-O 3.31Å; I26-H50 WeakPolarHBondContact CA-O 3.32Å; I26-H50 HydrophobicContact CG1-CB 4.05Å; I26-I52 HydrophobicContact CG2-CD1 4.13Å; I26-I52 HydrophobicContact CG2-CG1 4.08Å; I26-I95 HydrophobicContact CD1-CG2 4.18Å; I26-I96 HydrophobicContact CD1-CG1 4.07Å; I26-V99 HydrophobicContact CD1-CB 3.98Å; I26-V99 HydrophobicContact CD1-CG1 3.96Å; I26-V99 HydrophobicContact CD1-CG2 4.34Å; I26-V99 HydrophobicContact CG1-CB 4.37Å; I26-V99 HydrophobicContact CG1-CG1 3.85Å; I26-P101 HydrophobicContact CD1-CB 4.05Å; I26-P101 HydrophobicContact CD1-CG 3.68Å; I26-P101 HydrophobicContact CG1-CB 3.96Å; I26-P101 HydrophobicContact CG1-CG 4.14Å; I26-E103 PolarHBondContact N-O 3.02Å; I26-I104 HydrophobicContact CB-CG1 4.26Å; I26-I104 CarbonylContact O-C 3.53Å; I26-I104 WeakPolarHBondContact O-CA 3.3Å; I26-Y105 PolarHBondContact O-N 3.24Å
27	I	98.9	Very high	87.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	112.7	173.8	-52.4	174.7	0	0	0	108.5	I30 L38 A39 L42 V49 H50 G51 I52 Y105 L107	I27-I30 HydrophobicContact CB-CB 4.23Å; I27-I30 HydrophobicContact CB-CD1 4.41Å; I27-I30 HydrophobicContact CB-CG1 4.32Å; I27-I30 HydrophobicContact CD1-CD1 4.39Å; I27-I30 HydrophobicContact CG2-CB 4.09Å; I27-I30 HydrophobicContact CG2-CG1 4.33Å; I27-L38 HydrophobicContact CD1-CB 4.33Å; I27-L38 HydrophobicContact CD1-CD2 4.01Å; I27-L38 HydrophobicContact CD1-CG 3.98Å; I27-L38 HydrophobicContact CG1-CD2 4.2Å; I27-L38 HydrophobicContact CG2-CD2 4.46Å; I27-A39 HydrophobicContact CD1-CB 4.17Å; I27-L42 HydrophobicContact CD1-CD1 4.19Å; I27-V49 HydrophobicContact CD1-CG1 3.76Å; I27-V49 HydrophobicContact CG1-CG1 4.37Å; I27-H50 PolarHBondContact N-O 3.1Å; I27-G51 WeakPolarHBondContact O-CA 3.17Å; I27-I52 PolarHBondContact O-N 3.38Å; I27-Y105 HydrophobicContact CG1-CD2 4.37Å; I27-L107 HydrophobicContact CG2-CD1 3.89Å; I27-L107 HydrophobicContact CG2-CG 4.32Å
28	T	98.9	Very high	90.4	Very high	1 Å²	1	48 Å²	48	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	144.7	165.9	78.5	0	0	0	0	108.7	I30 I52 L86 Y105 N106 L107 G108 L134	T28-I30 VanDerWaalsContact C-N 3.3Å; T28-I30 PolarHBondContact O-N 2.97Å; T28-I52 HydrophobicContact CG2-CD1 3.94Å; T28-I52 HydrophobicContact CG2-CG1 4.42Å; T28-L86 HydrophobicContact CG2-CD2 4.2Å; T28-Y105 PolarHBondContact N-O 3.44Å; T28-N106 VanDerWaalsContact OG1-CA 3.31Å; T28-N106 WeakPolarHBondContact OG1-CA 3.44Å; T28-N106 PolarHBondContact OG1-OD1 2.96Å; T28-L107 CarbonylContact O-C 3.6Å; T28-L107 WeakPolarHBondContact O-CA 3.28Å; T28-L107 VanDerWaalsContact O-CB 3.26Å; T28-L107 WeakPolarHBondContact O-CB 3.35Å; T28-L107 PolarHBondContact O-N 3.15Å; T28-L107 PolarHBondContact OG1-N 3.04Å; T28-G108 PolarHBondContact O-N 3.16Å; T28-G108 PolarHBondContact OG1-N 2.99Å; T28-L134 HydrophobicContact CG2-CD1 3.91Å; T28-L134 HydrophobicContact CG2-CD2 4.25Å
29	G	98.1	Very high	93	Very high	23 Å²	23	39.9 Å²	39.9	24%	0.237	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	26.3	-176.5	0	0	0	0	0	114.2	T31 G32	G29-T31 PolarHBondContact O-N 3.25Å; G29-G32 PolarHBondContact O-N 3.34Å
30	I	98.6	Very high	95.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-27.4	-177.7	-165.3	168.5	0	0	0	113.9	I27 T28 G32 G35 S36 A39 V49 I64 M79 L81	I27-I30 HydrophobicContact CB-CB 4.23Å; I27-I30 HydrophobicContact CB-CD1 4.41Å; I27-I30 HydrophobicContact CB-CG1 4.32Å; I27-I30 HydrophobicContact CD1-CD1 4.39Å; I27-I30 HydrophobicContact CG2-CB 4.09Å; I27-I30 HydrophobicContact CG2-CG1 4.33Å; T28-I30 VanDerWaalsContact C-N 3.3Å; T28-I30 PolarHBondContact O-N 2.97Å; I30-G32 VanDerWaalsContact C-N 3.28Å; I30-G32 PolarHBondContact O-N 3.49Å; I30-G35 CarbonylContact O-C 3.59Å; I30-G35 VanDerWaalsContact O-C 3.23Å; I30-S36 PolarHBondContact O-N 3.2Å; I30-S36 VanDerWaalsContact O-N 3.16Å; I30-A39 HydrophobicContact CD1-CB 4.13Å; I30-A39 HydrophobicContact CG1-CB 4.22Å; I30-V49 HydrophobicContact CD1-CG1 4.15Å; I30-I64 HydrophobicContact CG1-CD1 4.37Å; I30-I64 HydrophobicContact CG2-CD1 4.05Å; I30-M79 HydrophobicContact CD1-SD 4.31Å; I30-L81 HydrophobicContact CD1-CD2 4.19Å; I30-L81 HydrophobicContact CG2-CD2 4.12Å
31	T	98.1	Very high	97.2	Very high	30 Å²	30	28.3 Å²	28.3	18%	0.184	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-3	179.2	58	0	0	0	0	114.4	G29 L53 N60 T61 R63 I64	G29-T31 PolarHBondContact O-N 3.25Å; T31-L53 HydrophobicContact CG2-CD1 3.34Å; T31-N60 WeakPolarHBondContact CB-O 3.28Å; T31-N60 WeakPolarHBondContact CG2-O 3.23Å; T31-T61 HydrophobicContact CG2-CG2 4.24Å; T31-R63 WeakPolarHBondContact O-CD 3.25Å; T31-R63 PolarHBondContact O-NH1 2.83Å; T31-I64 HydrophobicContact CG2-CD1 3.88Å; T31-I64 HydrophobicContact CG2-CG1 4.39Å
32	G	98.1	Very high	98.2	Very high	26 Å²	26	20.2 Å²	20.2	27%	0.268	11%	0.106	S	C	.	.	S	Bend	trans	-73.3	-178.3	172.9	0	0	0	0	0	112.9	G29 I30 S36 R63	G29-G32 PolarHBondContact O-N 3.34Å; I30-G32 VanDerWaalsContact C-N 3.28Å; I30-G32 PolarHBondContact O-N 3.49Å; G32-S36 WeakPolarHBondContact O-CB 3.38Å; G32-S36 PolarHBondContact O-N 2.89Å; G32-S36 PolarHBondContact O-OG 2.96Å; G32-R63 WeakPolarHBondContact O-CD 3.47Å
33	Q	98.6	Very high	98.5	Very high	13 Å²	13	15.5 Å²	15.5	6%	0.061	9%	0.09	C	C	.	.	H	α-helix	trans	-58.8	-60.9	174.6	174	-178.5	-94.5	0	0	110.4	S36 Y37 H208 S210 R212 R213 A251	Q33-S36 PolarHBondContact O-N 2.81Å; Q33-S36 PolarHBondContact O-OG 2.95Å; Q33-Y37 HydrophobicContact CG-CD2 4.36Å; Q33-Y37 HydrophobicContact CG-CE2 4.36Å; Q33-Y37 WeakPolarHBondContact O-CD2 2.85Å; Q33-Y37 PolarHBondContact O-N 3.36Å; Q33-H208 PolarHBondContact NE2-O 2.9Å; Q33-S210 WeakPolarHBondContact CG-OG 3.36Å; Q33-S210 PolarHBondContact OE1-OG 3.45Å; Q33-R212 HydrophobicContact CG-CB 4.33Å; Q33-R213 VanDerWaalsContact OE1-CB 3.24Å; Q33-R213 VanDerWaalsContact OE1-CD 3.24Å; Q33-A251 HydrophobicContact CG-CB 3.81Å
34	D	98.8	Very high	98.6	Very high	31 Å²	31	17.5 Å²	17.5	17%	0.166	11%	0.114	C	C	.	.	H	α-helix	trans	-73.1	-39.3	-168.6	-42.5	-27.4	0	0	0	110.3	S36 Y37 L38 L107 H208 V255 M258	D34-S36 PolarHBondContact O-N 2.98Å; D34-Y37 PolarHBondContact O-N 3.42Å; D34-L38 VanDerWaalsContact O-CB 3.3Å; D34-L38 WeakPolarHBondContact O-CB 3.41Å; D34-L38 PolarHBondContact O-N 2.95Å; D34-L107 HydrophobicContact CB-CD1 4.29Å; D34-H208 VanDerWaalsContact CG-NE2 3.34Å; D34-H208 IonicContact OD1-CD2 2.64Å; D34-H208 PolarHBondContact OD1-CD2 2.92Å; D34-H208 IonicContact OD1-NE2 2.85Å; D34-H208 PolarHBondContact OD1-NE2 3.39Å; D34-H208 IonicContact OD2-CD2 3.35Å; D34-H208 IonicContact OD2-NE2 3.99Å; D34-H208 PolarHBondContact OD2-NE2 2.89Å; D34-H208 VanDerWaalsContact OD2-NE2 3.12Å; D34-V255 HydrophobicContact CB-CG1 4.04Å; D34-V255 WeakPolarHBondContact O-CG1 3.39Å; D34-M258 HydrophobicContact CB-CE 4.07Å
35	G	98.8	Very high	98.5	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-55.3	-38.1	173.6	0	0	0	0	0	113.6	I30 A39	I30-G35 CarbonylContact O-C 3.59Å; I30-G35 VanDerWaalsContact O-C 3.23Å; G35-A39 VanDerWaalsContact O-CB 3.29Å; G35-A39 WeakPolarHBondContact O-CB 3.49Å; G35-A39 PolarHBondContact O-N 3.28Å
36	S	98.8	Very high	98.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.5	-41.8	177.9	70.9	0	0	0	0	113.2	I30 G32 Q33 D34 E40 R63 R212	I30-S36 PolarHBondContact O-N 3.2Å; I30-S36 VanDerWaalsContact O-N 3.16Å; G32-S36 WeakPolarHBondContact O-CB 3.38Å; G32-S36 PolarHBondContact O-N 2.89Å; G32-S36 PolarHBondContact O-OG 2.96Å; Q33-S36 PolarHBondContact O-N 2.81Å; Q33-S36 PolarHBondContact O-OG 2.95Å; D34-S36 PolarHBondContact O-N 2.98Å; S36-E40 WeakPolarHBondContact O-CG 3.37Å; S36-E40 PolarHBondContact O-N 2.92Å; S36-R63 WeakPolarHBondContact CB-O 3.19Å; S36-R212 VanDerWaalsContact OG-CD 3.25Å; S36-R212 WeakPolarHBondContact OG-CD 3.48Å; S36-R212 PolarHBondContact OG-NH1 2.89Å; S36-R212 VanDerWaalsContact OG-NH1 3.09Å
37	Y	98.9	Very high	98.4	Very high	19 Å²	19	24.8 Å²	24.8	8%	0.075	16%	0.161	C	C	.	.	H	α-helix	trans	-71.7	-37.3	176.3	-76.8	-61.9	0	0	0	112	Q33 D34 E40 F41 R212 A251 K252	Q33-Y37 HydrophobicContact CG-CD2 4.36Å; Q33-Y37 HydrophobicContact CG-CE2 4.36Å; Q33-Y37 WeakPolarHBondContact O-CD2 2.85Å; Q33-Y37 PolarHBondContact O-N 3.36Å; D34-Y37 PolarHBondContact O-N 3.42Å; Y37-E40 VanDerWaalsContact CD1-OE2 3.27Å; Y37-E40 WeakPolarHBondContact CD1-OE2 3.5Å; Y37-E40 WeakPolarHBondContact O-CB 3.27Å; Y37-E40 PolarHBondContact O-N 2.72Å; Y37-F41 WeakPolarHBondContact O-CB 3.11Å; Y37-F41 PolarHBondContact O-N 3.5Å; Y37-R212 HydrophobicContact CE2-CB 4.22Å; Y37-R212 HydrophobicContact CE2-CG 4.13Å; Y37-A251 HydrophobicContact CD2-CB 4.07Å; Y37-A251 HydrophobicContact CE2-CB 4.21Å; Y37-K252 HydrophobicContact CD1-CB 4.21Å; Y37-K252 HydrophobicContact CD1-CG 4.24Å; Y37-K252 HydrophobicContact CE1-CB 4.37Å; Y37-K252 HydrophobicContact CG-CB 4.47Å
38	L	98.9	Very high	98.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.3	-40.4	176.6	-177.3	64.2	0	0	0	111	I27 D34 E40 F41 L42 Y105 L107 V255 M258	I27-L38 HydrophobicContact CD1-CB 4.33Å; I27-L38 HydrophobicContact CD1-CD2 4.01Å; I27-L38 HydrophobicContact CD1-CG 3.98Å; I27-L38 HydrophobicContact CG1-CD2 4.2Å; I27-L38 HydrophobicContact CG2-CD2 4.46Å; D34-L38 VanDerWaalsContact O-CB 3.3Å; D34-L38 WeakPolarHBondContact O-CB 3.41Å; D34-L38 PolarHBondContact O-N 2.95Å; L38-E40 PolarHBondContact O-N 3.43Å; L38-F41 PolarHBondContact O-N 3.37Å; L38-L42 HydrophobicContact CD1-CD1 4.02Å; L38-L42 HydrophobicContact CD1-CD2 4.4Å; L38-L42 HydrophobicContact CD1-CG 3.96Å; L38-L42 HydrophobicContact CD2-CD1 4.46Å; L38-L42 HydrophobicContact CG-CD1 3.91Å; L38-L42 HydrophobicContact CG-CG 4.22Å; L38-L42 WeakPolarHBondContact O-CB 3.46Å; L38-L42 VanDerWaalsContact O-CG 3.32Å; L38-L42 WeakPolarHBondContact O-CG 3.3Å; L38-L42 PolarHBondContact O-N 2.97Å; L38-Y105 HydrophobicContact CD1-CE1 4.39Å; L38-Y105 HydrophobicContact CD2-CD1 3.6Å; L38-Y105 HydrophobicContact CD2-CD2 3.91Å; L38-Y105 HydrophobicContact CD2-CE1 4.1Å; L38-Y105 HydrophobicContact CD2-CE2 4.36Å; L38-Y105 HydrophobicContact CD2-CG 3.49Å; L38-Y105 VanDerWaalsContact CD2-CG 3.49Å; L38-L107 HydrophobicContact CD2-CD1 3.87Å; L38-V255 HydrophobicContact CB-CB 4.08Å; L38-V255 HydrophobicContact CB-CG1 4Å; L38-V255 HydrophobicContact CD1-CB 4.17Å; L38-M258 HydrophobicContact CD2-SD 4.49Å
39	A	98.8	Very high	98.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.9	-47.7	174.3	0	0	0	0	0	111.3	I27 I30 G35 F41 L42 L43 V49 L67	I27-A39 HydrophobicContact CD1-CB 4.17Å; I30-A39 HydrophobicContact CD1-CB 4.13Å; I30-A39 HydrophobicContact CG1-CB 4.22Å; G35-A39 VanDerWaalsContact O-CB 3.29Å; G35-A39 WeakPolarHBondContact O-CB 3.49Å; G35-A39 PolarHBondContact O-N 3.28Å; A39-F41 VanDerWaalsContact C-N 3.35Å; A39-F41 PolarHBondContact O-N 3.27Å; A39-L42 PolarHBondContact O-N 2.93Å; A39-L43 VanDerWaalsContact O-CB 3.3Å; A39-L43 WeakPolarHBondContact O-CB 3.36Å; A39-L43 WeakPolarHBondContact O-CD1 3.35Å; A39-L43 WeakPolarHBondContact O-CG 3.37Å; A39-L43 PolarHBondContact O-N 3.29Å; A39-V49 HydrophobicContact CB-CG1 4.32Å; A39-L67 HydrophobicContact CB-CD1 3.8Å
40	E	98.7	Very high	98.4	Very high	51 Å²	51	26.7 Å²	26.7	24%	0.238	16%	0.164	C	C	.	.	H	α-helix	trans	-55.8	-48.7	173.5	-75.5	168.3	156	0	0	112.1	S36 Y37 L38 A44 H66 L67 R212	S36-E40 WeakPolarHBondContact O-CG 3.37Å; S36-E40 PolarHBondContact O-N 2.92Å; Y37-E40 VanDerWaalsContact CD1-OE2 3.27Å; Y37-E40 WeakPolarHBondContact CD1-OE2 3.5Å; Y37-E40 WeakPolarHBondContact O-CB 3.27Å; Y37-E40 PolarHBondContact O-N 2.72Å; L38-E40 PolarHBondContact O-N 3.43Å; E40-A44 WeakPolarHBondContact O-CB 3.23Å; E40-A44 PolarHBondContact O-N 2.97Å; E40-H66 IonicContact OE1-CD2 3.59Å; E40-H66 IonicContact OE1-CE1 3.2Å; E40-H66 PolarHBondContact OE1-CE1 2.99Å; E40-H66 IonicContact OE1-NE2 3.96Å; E40-H66 PolarHBondContact OE1-NE2 3.16Å; E40-L67 HydrophobicContact CG-CD1 4.1Å; E40-L67 HydrophobicContact CG-CD2 3.67Å; E40-L67 HydrophobicContact CG-CG 4.45Å; E40-R212 VanDerWaalsContact CD-NH1 3.32Å; E40-R212 IonicContact OE1-CZ 2.92Å; E40-R212 IonicContact OE1-NH1 3.66Å; E40-R212 PolarHBondContact OE1-NH1 2.96Å; E40-R212 IonicContact OE1-NH2 2.69Å; E40-R212 PolarHBondContact OE1-NH2 3.5Å; E40-R212 IonicContact OE2-CZ 3.43Å; E40-R212 IonicContact OE2-NH1 3.48Å; E40-R212 PolarHBondContact OE2-NH1 3.22Å; E40-R212 IonicContact OE2-NH2 3.82Å; E40-R212 PolarHBondContact OE2-NH2 2.94Å
41	F	98.8	Very high	98.4	Very high	40 Å²	40	26.7 Å²	26.7	18%	0.175	16%	0.164	C	C	.	.	H	α-helix	trans	-61.9	-45.6	-177.3	-178.1	-91.1	0	0	0	112.4	Y37 L38 A39 K45 E256 W259	Y37-F41 WeakPolarHBondContact O-CB 3.11Å; Y37-F41 PolarHBondContact O-N 3.5Å; L38-F41 PolarHBondContact O-N 3.37Å; A39-F41 VanDerWaalsContact C-N 3.35Å; A39-F41 PolarHBondContact O-N 3.27Å; F41-K45 HydrophobicContact CD1-CD 4.26Å; F41-K45 HydrophobicContact CE1-CD 3.73Å; F41-K45 HydrophobicContact CZ-CD 4.17Å; F41-K45 PolarHBondContact O-N 3.38Å; F41-E256 HydrophobicContact CE2-CB 3.85Å; F41-E256 HydrophobicContact CE2-CG 3.97Å; F41-E256 HydrophobicContact CZ-CB 3.99Å; F41-E256 HydrophobicContact CZ-CG 3.85Å; F41-W259 HydrophobicContact CD1-CB 4.28Å; F41-W259 HydrophobicContact CD1-CG 4.4Å; F41-W259 HydrophobicContact CE1-CB 3.61Å; F41-W259 AromaticContact CE1-CD2 3.67Å; F41-W259 HydrophobicContact CE1-CD2 3.67Å; F41-W259 AromaticContact CE1-CE3 3.87Å; F41-W259 HydrophobicContact CE1-CE3 3.87Å; F41-W259 AromaticContact CE1-CG 3.57Å; F41-W259 HydrophobicContact CE1-CG 3.57Å; F41-W259 HydrophobicContact CZ-CB 4.43Å; F41-W259 HydrophobicContact CZ-CD2 4.19Å; F41-W259 AromaticContact CZ-CE3 3.89Å; F41-W259 HydrophobicContact CZ-CE3 3.89Å; F41-W259 HydrophobicContact CZ-CG 4.44Å
42	L	98.7	Very high	98.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-72.3	-40.7	-179.6	-65.6	178.8	0	0	0	112.1	A25 I27 L38 A39 A44 K45 G46 Y47 V49 Y105 W259	A25-L42 HydrophobicContact CB-CD1 3.67Å; I27-L42 HydrophobicContact CD1-CD1 4.19Å; L38-L42 HydrophobicContact CD1-CD1 4.02Å; L38-L42 HydrophobicContact CD1-CD2 4.4Å; L38-L42 HydrophobicContact CD1-CG 3.96Å; L38-L42 HydrophobicContact CD2-CD1 4.46Å; L38-L42 HydrophobicContact CG-CD1 3.91Å; L38-L42 HydrophobicContact CG-CG 4.22Å; L38-L42 WeakPolarHBondContact O-CB 3.46Å; L38-L42 VanDerWaalsContact O-CG 3.32Å; L38-L42 WeakPolarHBondContact O-CG 3.3Å; L38-L42 PolarHBondContact O-N 2.97Å; A39-L42 PolarHBondContact O-N 2.93Å; L42-A44 VanDerWaalsContact C-N 3.31Å; L42-A44 PolarHBondContact O-N 3.27Å; L42-K45 CarbonylContact O-C 3.5Å; L42-K45 WeakPolarHBondContact O-CA 3.5Å; L42-K45 PolarHBondContact O-N 3Å; L42-G46 PolarHBondContact O-N 3.06Å; L42-Y47 HydrophobicContact CB-CD2 4.34Å; L42-Y47 HydrophobicContact CB-CG 4.07Å; L42-Y47 HydrophobicContact CD2-CD1 4.31Å; L42-Y47 HydrophobicContact CD2-CD2 4.23Å; L42-Y47 HydrophobicContact CD2-CE1 4.25Å; L42-Y47 HydrophobicContact CD2-CE2 4.18Å; L42-Y47 HydrophobicContact CD2-CG 4.3Å; L42-Y47 WeakPolarHBondContact O-CB 3.21Å; L42-Y47 WeakPolarHBondContact O-CD2 3.44Å; L42-Y47 PolarHBondContact O-N 3.32Å; L42-V49 HydrophobicContact CB-CG2 3.81Å; L42-Y105 HydrophobicContact CD1-CD2 4.27Å; L42-Y105 HydrophobicContact CD1-CE2 3.71Å; L42-W259 HydrophobicContact CD2-CG 4.26Å
43	L	97.9	Very high	98.1	Very high	40 Å²	40	25.1 Å²	25.1	21%	0.209	15%	0.148	C	C	.	.	H	α-helix	trans	-59.9	-42	174.4	-73.1	168.3	0	0	0	111.3	A39 K45 G46 V49 L67 N78 M79	A39-L43 VanDerWaalsContact O-CB 3.3Å; A39-L43 WeakPolarHBondContact O-CB 3.36Å; A39-L43 WeakPolarHBondContact O-CD1 3.35Å; A39-L43 WeakPolarHBondContact O-CG 3.37Å; A39-L43 PolarHBondContact O-N 3.29Å; L43-K45 PolarHBondContact O-N 3.07Å; L43-G46 PolarHBondContact O-N 3.2Å; L43-V49 HydrophobicContact CD2-CB 4.12Å; L43-V49 HydrophobicContact CD2-CG2 3.88Å; L43-V49 HydrophobicContact CG-CB 4.32Å; L43-V49 HydrophobicContact CG-CG2 3.86Å; L43-L67 HydrophobicContact CD1-CB 4.3Å; L43-L67 HydrophobicContact CD1-CD1 4.24Å; L43-L67 HydrophobicContact CD1-CD2 4.36Å; L43-N78 HydrophobicContact CD2-CB 3.8Å; L43-M79 HydrophobicContact CD1-CB 4.26Å; L43-M79 HydrophobicContact CD2-CB 4.37Å
44	A	97.7	Very high	97.8	Very high	91 Å²	91	31.2 Å²	31.2	75%	0.752	17%	0.171	S	C	*	.	H	α-helix	trans	-63.1	-26.8	175.6	0	0	0	0	0	113	E40 L42 G46	E40-A44 WeakPolarHBondContact O-CB 3.23Å; E40-A44 PolarHBondContact O-N 2.97Å; L42-A44 VanDerWaalsContact C-N 3.31Å; L42-A44 PolarHBondContact O-N 3.27Å; A44-G46 VanDerWaalsContact C-N 3.3Å
45	K	97.5	Very high	97.5	Very high	90 Å²	90	39 Å²	39	39%	0.391	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	2.7	172.2	-71	-177.3	-179.4	-71.9	0	113.8	F41 L42 L43 Y47 W259	F41-K45 HydrophobicContact CD1-CD 4.26Å; F41-K45 HydrophobicContact CE1-CD 3.73Å; F41-K45 HydrophobicContact CZ-CD 4.17Å; F41-K45 PolarHBondContact O-N 3.38Å; L42-K45 CarbonylContact O-C 3.5Å; L42-K45 WeakPolarHBondContact O-CA 3.5Å; L42-K45 PolarHBondContact O-N 3Å; L43-K45 PolarHBondContact O-N 3.07Å; K45-Y47 HydrophobicContact CB-CD2 3.87Å; K45-Y47 HydrophobicContact CB-CE2 4.01Å; K45-W259 HydrophobicContact CD-CD2 4.23Å; K45-W259 HydrophobicContact CD-CH2 4.25Å; K45-W259 HydrophobicContact CD-CZ2 3.76Å
46	G	96.4	Very high	97.2	Very high	57 Å²	57	41.3 Å²	41.3	59%	0.588	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	21.8	177.2	0	0	0	0	0	114.8	L42 L43 A44	L42-G46 PolarHBondContact O-N 3.06Å; L43-G46 PolarHBondContact O-N 3.2Å; A44-G46 VanDerWaalsContact C-N 3.3Å
47	Y	98.2	Very high	96.4	Very high	7 Å²	7	46.3 Å²	46.3	3%	0.027	25%	0.249	C	C	.	.			trans	-71.9	150.5	172.5	-78.1	-117.3	0	0	0	111.4	N23 A25 L42 K45 E103 W259	N23-Y47 HydrophobicContact CB-CD1 3.69Å; N23-Y47 HydrophobicContact CB-CD2 4.08Å; N23-Y47 HydrophobicContact CB-CE1 3.72Å; N23-Y47 HydrophobicContact CB-CE2 4.1Å; N23-Y47 HydrophobicContact CB-CG 3.87Å; N23-Y47 WeakPolarHBondContact O-CA 3.11Å; A25-Y47 HydrophobicContact CB-CD1 4.1Å; L42-Y47 HydrophobicContact CB-CD2 4.34Å; L42-Y47 HydrophobicContact CB-CG 4.07Å; L42-Y47 HydrophobicContact CD2-CD1 4.31Å; L42-Y47 HydrophobicContact CD2-CD2 4.23Å; L42-Y47 HydrophobicContact CD2-CE1 4.25Å; L42-Y47 HydrophobicContact CD2-CE2 4.18Å; L42-Y47 HydrophobicContact CD2-CG 4.3Å; L42-Y47 WeakPolarHBondContact O-CB 3.21Å; L42-Y47 WeakPolarHBondContact O-CD2 3.44Å; L42-Y47 PolarHBondContact O-N 3.32Å; K45-Y47 HydrophobicContact CB-CD2 3.87Å; K45-Y47 HydrophobicContact CB-CE2 4.01Å; Y47-E103 VanDerWaalsContact CE1-OE2 3.23Å; Y47-E103 WeakPolarHBondContact CE1-OE2 3.42Å; Y47-E103 PolarHBondContact OH-OE1 3.16Å; Y47-E103 PolarHBondContact OH-OE2 3.01Å; Y47-W259 AromaticContact CE2-NE1 3.98Å; Y47-W259 AromaticContact CZ-NE1 3.71Å; Y47-W259 PolarHBondContact OH-NE1 2.88Å
48	E	98.2	Very high	95.9	Very high	55 Å²	55	49.2 Å²	49.2	26%	0.257	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	122.4	154.2	-177.1	176.5	-171.4	0	0	107.8	N23 V24 A25 H50 K80	N23-E48 PolarHBondContact O-N 2.95Å; V24-E48 CarbonylContact C-O 3.53Å; V24-E48 WeakPolarHBondContact CA-O 3.17Å; V24-E48 HydrophobicContact CG1-CB 4.44Å; V24-E48 HydrophobicContact CG2-CB 4.18Å; A25-E48 PolarHBondContact N-O 2.84Å; E48-H50 IonicContact OE1-CE1 2.77Å; E48-H50 IonicContact OE1-NE2 3.89Å; E48-H50 PolarHBondContact OE1-NE2 2.76Å; E48-K80 IonicContact OE1-NZ 2.73Å; E48-K80 PolarHBondContact OE1-NZ 3.28Å
49	V	98.6	Very high	95.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122	-174.4	178.1	0	0	0	0	109.8	I27 I30 A39 L42 L43 N78 M79 K80	I27-V49 HydrophobicContact CD1-CG1 3.76Å; I27-V49 HydrophobicContact CG1-CG1 4.37Å; I30-V49 HydrophobicContact CD1-CG1 4.15Å; A39-V49 HydrophobicContact CB-CG1 4.32Å; L42-V49 HydrophobicContact CB-CG2 3.81Å; L43-V49 HydrophobicContact CD2-CB 4.12Å; L43-V49 HydrophobicContact CD2-CG2 3.88Å; L43-V49 HydrophobicContact CG-CB 4.32Å; L43-V49 HydrophobicContact CG-CG2 3.86Å; V49-N78 PolarHBondContact N-O 2.99Å; V49-M79 CarbonylContact O-C 3.57Å; V49-M79 VanDerWaalsContact O-CA 3.23Å; V49-M79 WeakPolarHBondContact O-CA 3.39Å; V49-K80 PolarHBondContact O-N 3.23Å
50	H	98.8	Very high	94.8	Very high	9 Å²	9	60.1 Å²	60.1	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.2	172.4	-66.4	-92.3	0	0	0	110.2	A25 I26 I27 E48 K80 H82 V99	A25-H50 PolarHBondContact O-N 2.89Å; I26-H50 CarbonylContact C-O 3.59Å; I26-H50 VanDerWaalsContact CA-O 3.31Å; I26-H50 WeakPolarHBondContact CA-O 3.32Å; I26-H50 HydrophobicContact CG1-CB 4.05Å; I27-H50 PolarHBondContact N-O 3.1Å; E48-H50 IonicContact OE1-CE1 2.77Å; E48-H50 IonicContact OE1-NE2 3.89Å; E48-H50 PolarHBondContact OE1-NE2 2.76Å; H50-K80 CarbonylContact C-O 3.6Å; H50-K80 VanDerWaalsContact CA-O 3.25Å; H50-K80 WeakPolarHBondContact CA-O 3.33Å; H50-H82 AromaticContact CE1-NE2 3.9Å; H50-H82 AromaticContact CG-NE2 3.76Å; H50-H82 AromaticContact ND1-CD2 3.85Å; H50-H82 AromaticContact ND1-CE1 3.97Å; H50-H82 AromaticContact ND1-NE2 2.98Å; H50-H82 PolarHBondContact ND1-NE2 3.23Å; H50-V99 HydrophobicContact CB-CG1 4.39Å; H50-V99 HydrophobicContact CB-CG2 4.34Å; H50-V99 VanDerWaalsContact CD2-CG1 3.4Å; H50-V99 WeakPolarHBondContact CD2-CG1 3.43Å
51	G	98.5	Very high	94.5	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.1	177.1	0	0	0	0	0	112.2	I27 K80 L81 H82	I27-G51 WeakPolarHBondContact O-CA 3.17Å; G51-K80 PolarHBondContact N-O 3.05Å; G51-L81 WeakPolarHBondContact O-CA 3.35Å; G51-H82 PolarHBondContact O-N 3.15Å
52	I	98.3	Very high	94.3	Very high	13 Å²	13	59 Å²	59	7%	0.067	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	120.1	167.6	-53.3	-172	0	0	0	109.2	I26 I27 T28 H82 L92 I95	I26-I52 HydrophobicContact CG2-CD1 4.13Å; I26-I52 HydrophobicContact CG2-CG1 4.08Å; I27-I52 PolarHBondContact O-N 3.38Å; T28-I52 HydrophobicContact CG2-CD1 3.94Å; T28-I52 HydrophobicContact CG2-CG1 4.42Å; I52-H82 WeakPolarHBondContact CA-O 3.46Å; I52-L92 HydrophobicContact CD1-CD2 3.85Å; I52-I95 HydrophobicContact CD1-CD1 4.1Å; I52-I95 HydrophobicContact CD1-CG2 4.33Å; I52-I95 HydrophobicContact CG1-CD1 4.27Å; I52-I95 HydrophobicContact CG1-CG2 4.44Å; I52-I95 HydrophobicContact CG2-CD1 4.42Å
53	L	93.3	Very high	94.2	Very high	11 Å²	11	63.1 Å²	63.1	6%	0.058	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.1	-177.4	-179.8	71.5	0	0	0	110.5	T31 T61 L81 H82 Y83 G84	T31-L53 HydrophobicContact CG2-CD1 3.34Å; L53-T61 HydrophobicContact CD1-CG2 3.89Å; L53-T61 HydrophobicContact CD2-CG2 3.97Å; L53-L81 HydrophobicContact CD2-CD1 4.41Å; L53-H82 PolarHBondContact N-O 2.83Å; L53-Y83 HydrophobicContact CD2-CD1 4.38Å; L53-Y83 HydrophobicContact CD2-CE1 3.82Å; L53-Y83 HydrophobicContact CG-CE1 4.36Å; L53-Y83 WeakPolarHBondContact O-CA 3.49Å; L53-G84 PolarHBondContact O-N 3.01Å
54	R	92.4	Very high	94.1	Very high	140 Å²	140	61.2 Å²	61.2	53%	0.528	34%	0.34	S	S	.	.			trans	-73.7	137.7	168.6	-68.8	-171.8	-63.7	172.4	-0.3	110.5	S56 N60 D85 Y122	R54-S56 PolarHBondContact O-N 2.87Å; R54-N60 PolarHBondContact O-ND2 2.7Å; R54-D85 VanDerWaalsContact CD-OD2 3.24Å; R54-D85 WeakPolarHBondContact CD-OD2 3.3Å; R54-Y122 PolarHBondContact NH1-OH 2.85Å
55	R	92.3	Very high	93.9	Very high	194 Å²	194	60.7 Å²	60.7	73%	0.732	32%	0.322	S	S	*	.			trans	-61.1	132.7	169.7	-173.4	-87.9	175.2	179.6	1.3	109.5	Y83	R55-Y83 HydrophobicContact CB-CD1 4.21Å; R55-Y83 HydrophobicContact CB-CE1 4.38Å
56	S	90.7	Very high	93.8	Very high	51 Å²	51	61.1 Å²	61.1	36%	0.357	33%	0.325	S	S	.	.			trans	-133.5	150.4	177.3	172.4	0	0	0	0	109.8	R54 S58 N60	R54-S56 PolarHBondContact O-N 2.87Å; S56-S58 WeakPolarHBondContact CB-O 3.44Å; S56-S58 PolarHBondContact OG-N 2.81Å; S56-S58 VanDerWaalsContact OG-N 3.16Å; S56-S58 PolarHBondContact OG-O 2.97Å; S56-N60 VanDerWaalsContact CB-ND2 3.34Å; S56-N60 WeakPolarHBondContact CB-ND2 3.35Å
57	S	84	Confident	93.7	Very high	105 Å²	105	60 Å²	60	73%	0.734	31%	0.305	S	S	*	.	S	Bend	trans	-76.1	-11	172.2	55.6	0	0	0	0	113.1
58	S	87.4	Confident	93.3	Very high	80 Å²	80	60.8 Å²	60.8	56%	0.559	31%	0.308	S	S	*	.	S	Bend	trans	-129.4	159.1	178.5	-52.1	0	0	0	0	110.3	S56 N60	S56-S58 WeakPolarHBondContact CB-O 3.44Å; S56-S58 PolarHBondContact OG-N 2.81Å; S56-S58 VanDerWaalsContact OG-N 3.16Å; S56-S58 PolarHBondContact OG-O 2.97Å; S58-N60 PolarHBondContact O-N 3.27Å
59	F	85.5	Confident	92.7	Very high	173 Å²	173	65.1 Å²	65.1	76%	0.759	33%	0.329	S	S	*	.			trans	-56.1	125.8	173.8	-71.6	-81	0	0	0	111.3	H74	F59-H74 AromaticContact CE1-NE2 3.85Å
60	N	89.3	Confident	92	Very high	55 Å²	55	67.9 Å²	67.9	29%	0.294	34%	0.343	S	S	.	.			trans	-129.7	16.5	-178	65.5	-15.3	0	0	0	112.8	T31 R54 S56 S58	T31-N60 WeakPolarHBondContact CB-O 3.28Å; T31-N60 WeakPolarHBondContact CG2-O 3.23Å; R54-N60 PolarHBondContact O-ND2 2.7Å; S56-N60 VanDerWaalsContact CB-ND2 3.34Å; S56-N60 WeakPolarHBondContact CB-ND2 3.35Å; S58-N60 PolarHBondContact O-N 3.27Å
61	T	92.9	Very high	91.1	Very high	8 Å²	8	69.8 Å²	69.8	5%	0.049	36%	0.357	C	S	.	.			trans	-106.8	7.8	-177.5	48.3	0	0	0	0	113.7	T31 L53 R63 I64 E65 L81	T31-T61 HydrophobicContact CG2-CG2 4.24Å; L53-T61 HydrophobicContact CD1-CG2 3.89Å; L53-T61 HydrophobicContact CD2-CG2 3.97Å; T61-R63 PolarHBondContact O-N 2.98Å; T61-I64 HydrophobicContact CG2-CD1 4.45Å; T61-I64 CarbonylContact O-C 3.56Å; T61-I64 VanDerWaalsContact O-CG1 3.28Å; T61-I64 WeakPolarHBondContact O-CG1 3.31Å; T61-I64 PolarHBondContact O-N 3.4Å; T61-E65 PolarHBondContact O-N 3.48Å; T61-L81 HydrophobicContact CG2-CD1 4.22Å
62	G	93.5	Very high	90.3	Very high	60 Å²	60	78.2 Å²	78.2	62%	0.619	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.5	-171.2	0	0	0	0	0	116.1
63	R	96.4	Very high	89.4	Confident	87 Å²	87	81.6 Å²	81.6	33%	0.328	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.3	174.5	-66.6	-169.3	-176.3	81.5	7.2	114.7	T31 G32 S36 T61 H66 R212	T31-R63 WeakPolarHBondContact O-CD 3.25Å; T31-R63 PolarHBondContact O-NH1 2.83Å; G32-R63 WeakPolarHBondContact O-CD 3.47Å; S36-R63 WeakPolarHBondContact CB-O 3.19Å; T61-R63 PolarHBondContact O-N 2.98Å; R63-H66 PolarHBondContact O-CE1 3.03Å; R63-H66 VanDerWaalsContact O-CE1 3.23Å; R63-R212 PolarHBondContact NE-O 3.06Å; R63-R212 PolarHBondContact NH2-O 3.41Å
64	I	96.7	Very high	88.7	Confident	0 Å²	0	84.7 Å²	84.7	0%	0	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	2.1	-174.6	60.9	168.7	0	0	0	112.3	I30 T31 T61 H66 L67 L81	I30-I64 HydrophobicContact CG1-CD1 4.37Å; I30-I64 HydrophobicContact CG2-CD1 4.05Å; T31-I64 HydrophobicContact CG2-CD1 3.88Å; T31-I64 HydrophobicContact CG2-CG1 4.39Å; T61-I64 HydrophobicContact CG2-CD1 4.45Å; T61-I64 CarbonylContact O-C 3.56Å; T61-I64 VanDerWaalsContact O-CG1 3.28Å; T61-I64 WeakPolarHBondContact O-CG1 3.31Å; T61-I64 PolarHBondContact O-N 3.4Å; I64-H66 PolarHBondContact O-N 3.5Å; I64-L67 HydrophobicContact CB-CD1 4.12Å; I64-L67 HydrophobicContact CG2-CD1 4.15Å; I64-L67 WeakPolarHBondContact O-CB 3.4Å; I64-L67 PolarHBondContact O-N 3.41Å; I64-L81 HydrophobicContact CD1-CD1 4.02Å; I64-L81 HydrophobicContact CD1-CD2 4.11Å
65	E	93.9	Very high	88.1	Confident	79 Å²	79	81 Å²	81	37%	0.369	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-60	-33.8	-178.5	-177.1	175.3	-132.3	0	0	111.9	T61 L67 Y68 P71	T61-E65 PolarHBondContact O-N 3.48Å; E65-L67 PolarHBondContact O-N 3.12Å; E65-Y68 HydrophobicContact CG-CD2 4.47Å; E65-Y68 VanDerWaalsContact O-CD2 3.27Å; E65-Y68 WeakPolarHBondContact O-CD2 3.49Å; E65-Y68 PolarHBondContact O-N 3.07Å; E65-P71 HydrophobicContact CG-CB 4.24Å; E65-P71 WeakPolarHBondContact O-CG 3.46Å
66	H	94.4	Very high	87.8	Confident	99 Å²	99	75.5 Å²	75.5	46%	0.458	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-70.6	-7.6	176	66.6	-74.2	0	0	0	114.2	E40 R63 I64	E40-H66 IonicContact OE1-CD2 3.59Å; E40-H66 IonicContact OE1-CE1 3.2Å; E40-H66 PolarHBondContact OE1-CE1 2.99Å; E40-H66 IonicContact OE1-NE2 3.96Å; E40-H66 PolarHBondContact OE1-NE2 3.16Å; R63-H66 PolarHBondContact O-CE1 3.03Å; R63-H66 VanDerWaalsContact O-CE1 3.23Å; I64-H66 PolarHBondContact O-N 3.5Å
67	L	94.1	Very high	87.7	Confident	33 Å²	33	74 Å²	74	17%	0.173	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-93.6	-8.6	178.9	-55.3	179.7	0	0	0	113.5	A39 E40 L43 I64 E65 M79	A39-L67 HydrophobicContact CB-CD1 3.8Å; E40-L67 HydrophobicContact CG-CD1 4.1Å; E40-L67 HydrophobicContact CG-CD2 3.67Å; E40-L67 HydrophobicContact CG-CG 4.45Å; L43-L67 HydrophobicContact CD1-CB 4.3Å; L43-L67 HydrophobicContact CD1-CD1 4.24Å; L43-L67 HydrophobicContact CD1-CD2 4.36Å; I64-L67 HydrophobicContact CB-CD1 4.12Å; I64-L67 HydrophobicContact CG2-CD1 4.15Å; I64-L67 WeakPolarHBondContact O-CB 3.4Å; I64-L67 PolarHBondContact O-N 3.41Å; E65-L67 PolarHBondContact O-N 3.12Å; L67-M79 HydrophobicContact CB-CE 3.66Å; L67-M79 HydrophobicContact CB-SD 3.75Å; L67-M79 HydrophobicContact CD1-SD 4.04Å
68	Y	89.3	Confident	88.1	Confident	24 Å²	24	74.4 Å²	74.4	9%	0.094	39%	0.394	C	S	.	.	S	Bend	trans	-63.6	146.9	169.1	-71.3	-67.1	0	0	0	110.3	E65 N70 E76 M79 L81	E65-Y68 HydrophobicContact CG-CD2 4.47Å; E65-Y68 VanDerWaalsContact O-CD2 3.27Å; E65-Y68 WeakPolarHBondContact O-CD2 3.49Å; E65-Y68 PolarHBondContact O-N 3.07Å; Y68-N70 PolarHBondContact O-N 3.36Å; Y68-E76 HydrophobicContact CD1-CG 4.37Å; Y68-E76 HydrophobicContact CE1-CG 4.24Å; Y68-M79 HydrophobicContact CD1-CE 4.09Å; Y68-M79 HydrophobicContact CE1-CE 4.15Å; Y68-M79 HydrophobicContact CG-CE 4.36Å; Y68-L81 HydrophobicContact CE1-CD1 4.29Å; Y68-L81 WeakPolarHBondContact OH-CD1 3.15Å
69	Q	85.6	Confident	88.6	Confident	146 Å²	146	70.7 Å²	70.7	68%	0.682	37%	0.368	S	S	*	.	S	Bend	trans	-60.1	-37.5	172.5	-177.4	179.3	2.1	0	0	110.8	T75 E76	Q69-T75 WeakPolarHBondContact CB-O 3.21Å; Q69-T75 PolarHBondContact N-O 3.46Å; Q69-E76 PolarHBondContact OE1-O 3.44Å
70	N	84.5	Confident	89.1	Confident	58 Å²	58	66 Å²	66	31%	0.31	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-135.1	107.1	166.1	-175.6	-17.9	0	0	0	109.7	Y68 Q72 T73 H74 T75	Y68-N70 PolarHBondContact O-N 3.36Å; N70-Q72 VanDerWaalsContact C-N 3.31Å; N70-Q72 PolarHBondContact O-N 3.44Å; N70-Q72 WeakPolarHBondContact OD1-CB 3.48Å; N70-Q72 PolarHBondContact OD1-N 3.34Å; N70-T73 VanDerWaalsContact CB-OG1 3.3Å; N70-T73 WeakPolarHBondContact CB-OG1 3.34Å; N70-T73 PolarHBondContact ND2-OG1 3Å; N70-T73 PolarHBondContact O-N 3.13Å; N70-T73 PolarHBondContact OD1-N 3.37Å; N70-H74 CarbonylContact O-C 3.6Å; N70-H74 WeakPolarHBondContact O-CA 3.34Å; N70-H74 PolarHBondContact O-N 2.98Å; N70-T75 PolarHBondContact N-O 3.48Å; N70-T75 PolarHBondContact O-N 3.29Å
71	P	80.9	Confident	89.5	Confident	49 Å²	49	64.6 Å²	64.6	32%	0.318	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-34.8	178.8	-25.7	35.2	0	0	0	114	E65 T73 H74	E65-P71 HydrophobicContact CG-CB 4.24Å; E65-P71 WeakPolarHBondContact O-CG 3.46Å; P71-T73 PolarHBondContact O-N 2.78Å; P71-H74 PolarHBondContact O-N 3.11Å; P71-H74 PolarHBondContact O-ND1 2.94Å
72	Q	80.6	Confident	89.7	Confident	177 Å²	177	66.1 Å²	66.1	83%	0.827	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-40.6	-176.1	-62.9	175.7	-5.7	0	0	111.7	N70	N70-Q72 VanDerWaalsContact C-N 3.31Å; N70-Q72 PolarHBondContact O-N 3.44Å; N70-Q72 WeakPolarHBondContact OD1-CB 3.48Å; N70-Q72 PolarHBondContact OD1-N 3.34Å
73	T	80	Confident	89.9	Confident	85 Å²	85	71.3 Å²	71.3	52%	0.521	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	2.6	179.9	55.2	0	0	0	0	113	N70 P71 T75	N70-T73 VanDerWaalsContact CB-OG1 3.3Å; N70-T73 WeakPolarHBondContact CB-OG1 3.34Å; N70-T73 PolarHBondContact ND2-OG1 3Å; N70-T73 PolarHBondContact O-N 3.13Å; N70-T73 PolarHBondContact OD1-N 3.37Å; P71-T73 PolarHBondContact O-N 2.78Å; T73-T75 PolarHBondContact O-N 3.44Å; T73-T75 PolarHBondContact OG1-OG1 3.33Å
74	H	77.2	Confident	90	Very high	75 Å²	75	67.7 Å²	67.7	35%	0.347	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	35.7	-172.9	-63.4	63.9	0	0	0	112.4	F59 N70 P71 E76	F59-H74 AromaticContact CE1-NE2 3.85Å; N70-H74 CarbonylContact O-C 3.6Å; N70-H74 WeakPolarHBondContact O-CA 3.34Å; N70-H74 PolarHBondContact O-N 2.98Å; P71-H74 PolarHBondContact O-N 3.11Å; P71-H74 PolarHBondContact O-ND1 2.94Å; H74-E76 PolarHBondContact O-N 3.32Å
75	T	81.8	Confident	90.1	Very high	62 Å²	62	69.6 Å²	69.6	38%	0.38	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-76	119	-179.9	-56.4	0	0	0	0	109.4	Q69 N70 T73	Q69-T75 WeakPolarHBondContact CB-O 3.21Å; Q69-T75 PolarHBondContact N-O 3.46Å; N70-T75 PolarHBondContact N-O 3.48Å; N70-T75 PolarHBondContact O-N 3.29Å; T73-T75 PolarHBondContact O-N 3.44Å; T73-T75 PolarHBondContact OG1-OG1 3.33Å
76	E	85.2	Confident	90.3	Very high	79 Å²	79	66.6 Å²	66.6	37%	0.369	33%	0.334	S	S	.	.			trans	-71.6	139.5	176.9	-64.3	-171.3	154.3	0	0	111.2	Y68 Q69 H74 M79 K80 L81	Y68-E76 HydrophobicContact CD1-CG 4.37Å; Y68-E76 HydrophobicContact CE1-CG 4.24Å; Q69-E76 PolarHBondContact OE1-O 3.44Å; H74-E76 PolarHBondContact O-N 3.32Å; E76-M79 WeakPolarHBondContact CB-O 3.42Å; E76-K80 HydrophobicContact CB-CG 4.41Å; E76-K80 WeakPolarHBondContact OE2-CG 3.26Å; E76-L81 PolarHBondContact OE1-N 2.72Å
77	G	89.4	Confident	90.5	Very high	21 Å²	21	64.3 Å²	64.3	22%	0.216	33%	0.328	C	S	.	.	S	Bend	trans	-112.3	-123.4	171.9	0	0	0	0	0	110	M79	G77-M79 PolarHBondContact O-N 3.43Å
78	N	91.5	Very high	90.7	Very high	113 Å²	113	66.3 Å²	66.3	60%	0.604	34%	0.339	S	S	*	.	S	Bend	trans	-72.5	-6	171	-67	-16.6	0	0	0	113.2	L43 V49	L43-N78 HydrophobicContact CD2-CB 3.8Å; V49-N78 PolarHBondContact N-O 2.99Å
79	M	96.9	Very high	91.1	Very high	1 Å²	1	68 Å²	68	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.7	168.7	-173.3	-177.1	69.1	0	0	109.9	I30 L43 V49 L67 Y68 E76 G77	I30-M79 HydrophobicContact CD1-SD 4.31Å; L43-M79 HydrophobicContact CD1-CB 4.26Å; L43-M79 HydrophobicContact CD2-CB 4.37Å; V49-M79 CarbonylContact O-C 3.57Å; V49-M79 VanDerWaalsContact O-CA 3.23Å; V49-M79 WeakPolarHBondContact O-CA 3.39Å; L67-M79 HydrophobicContact CB-CE 3.66Å; L67-M79 HydrophobicContact CB-SD 3.75Å; L67-M79 HydrophobicContact CD1-SD 4.04Å; Y68-M79 HydrophobicContact CD1-CE 4.09Å; Y68-M79 HydrophobicContact CE1-CE 4.15Å; Y68-M79 HydrophobicContact CG-CE 4.36Å; E76-M79 WeakPolarHBondContact CB-O 3.42Å; G77-M79 PolarHBondContact O-N 3.43Å
80	K	97	Very high	91.7	Very high	75 Å²	75	66.5 Å²	66.5	33%	0.326	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.4	177.3	-65.6	170.7	179.9	163.8	0	111	E48 V49 H50 G51 E76	E48-K80 IonicContact OE1-NZ 2.73Å; E48-K80 PolarHBondContact OE1-NZ 3.28Å; V49-K80 PolarHBondContact O-N 3.23Å; H50-K80 CarbonylContact C-O 3.6Å; H50-K80 VanDerWaalsContact CA-O 3.25Å; H50-K80 WeakPolarHBondContact CA-O 3.33Å; G51-K80 PolarHBondContact N-O 3.05Å; E76-K80 HydrophobicContact CB-CG 4.41Å; E76-K80 WeakPolarHBondContact OE2-CG 3.26Å
81	L	97.2	Very high	92.4	Very high	26 Å²	26	64.7 Å²	64.7	14%	0.136	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.2	-178.5	-60.2	-173.9	0	0	0	112.1	I30 G51 L53 T61 I64 Y68 E76	I30-L81 HydrophobicContact CD1-CD2 4.19Å; I30-L81 HydrophobicContact CG2-CD2 4.12Å; G51-L81 WeakPolarHBondContact O-CA 3.35Å; L53-L81 HydrophobicContact CD2-CD1 4.41Å; T61-L81 HydrophobicContact CG2-CD1 4.22Å; I64-L81 HydrophobicContact CD1-CD1 4.02Å; I64-L81 HydrophobicContact CD1-CD2 4.11Å; Y68-L81 HydrophobicContact CE1-CD1 4.29Å; Y68-L81 WeakPolarHBondContact OH-CD1 3.15Å; E76-L81 PolarHBondContact OE1-N 2.72Å
82	H	97.6	Very high	93.2	Very high	40 Å²	40	62.4 Å²	62.4	19%	0.185	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.8	178.5	-58.4	-86	0	0	0	109.9	H50 G51 I52 L53 G84 I95	H50-H82 AromaticContact CE1-NE2 3.9Å; H50-H82 AromaticContact CG-NE2 3.76Å; H50-H82 AromaticContact ND1-CD2 3.85Å; H50-H82 AromaticContact ND1-CE1 3.97Å; H50-H82 AromaticContact ND1-NE2 2.98Å; H50-H82 PolarHBondContact ND1-NE2 3.23Å; G51-H82 PolarHBondContact O-N 3.15Å; I52-H82 WeakPolarHBondContact CA-O 3.46Å; L53-H82 PolarHBondContact N-O 2.83Å; H82-G84 PolarHBondContact O-N 2.7Å; H82-I95 HydrophobicContact CB-CD1 3.75Å; H82-I95 HydrophobicContact CB-CG1 3.94Å; H82-I95 HydrophobicContact CB-CG2 4.31Å
83	Y	98	Very high	94.1	Very high	168 Å²	168	56.2 Å²	56.2	66%	0.659	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	127.7	168.7	-73.6	-60.7	0	0	0	110.5	L53 R55	L53-Y83 HydrophobicContact CD2-CD1 4.38Å; L53-Y83 HydrophobicContact CD2-CE1 3.82Å; L53-Y83 HydrophobicContact CG-CE1 4.36Å; L53-Y83 WeakPolarHBondContact O-CA 3.49Å; R55-Y83 HydrophobicContact CB-CD1 4.21Å; R55-Y83 HydrophobicContact CB-CE1 4.38Å
84	G	97.9	Very high	95	Very high	11 Å²	11	58 Å²	58	11%	0.113	31%	0.307	C	S	.	.			trans	-169.8	166.7	175.8	0	0	0	0	0	112.2	L53 H82 C91	L53-G84 PolarHBondContact O-N 3.01Å; H82-G84 PolarHBondContact O-N 2.7Å; G84-C91 VanDerWaalsContact CA-SG 3.58Å
85	D	98.3	Very high	96	Very high	41 Å²	41	54.8 Å²	54.8	22%	0.219	29%	0.291	C	S	.	.			trans	-139.2	143.6	175.6	-160.2	-65.4	0	0	0	109.6	R54 T87 D88 C91	R54-D85 VanDerWaalsContact CD-OD2 3.24Å; R54-D85 WeakPolarHBondContact CD-OD2 3.3Å; D85-T87 PolarHBondContact O-N 3.43Å; D85-T87 VanDerWaalsContact O-N 3.1Å; D85-T87 PolarHBondContact OD1-N 3.35Å; D85-T87 PolarHBondContact OD1-OG1 2.97Å; D85-D88 PolarHBondContact O-N 2.72Å; D85-C91 PolarHBondContact N-SG 3.45Å; D85-C91 VanDerWaalsContact N-SG 3.41Å
86	L	98.5	Very high	96.8	Very high	15 Å²	15	51.9 Å²	51.9	8%	0.079	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-10.6	178	-71.1	176.5	0	0	0	112.8	T28 L92 G108 V126 G130 R133 L134	T28-L86 HydrophobicContact CG2-CD2 4.2Å; L86-L92 HydrophobicContact CD2-CD1 4.49Å; L86-L92 HydrophobicContact CD2-CD2 4.38Å; L86-G108 WeakPolarHBondContact CD1-O 3.27Å; L86-V126 HydrophobicContact CB-CG1 4.28Å; L86-V126 HydrophobicContact CD1-CG1 3.98Å; L86-G130 WeakPolarHBondContact O-CA 3.47Å; L86-R133 WeakPolarHBondContact O-CD 3.44Å; L86-R133 PolarHBondContact O-NH1 3.47Å; L86-L134 HydrophobicContact CD2-CD1 3.62Å; L86-L134 HydrophobicContact CD2-CD2 4.47Å; L86-L134 HydrophobicContact CD2-CG 3.95Å
87	T	98.6	Very high	97.5	Very high	51 Å²	51	52 Å²	52	31%	0.313	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-9.6	173.2	67.3	0	0	0	0	114.3	D85 N125 V126	D85-T87 PolarHBondContact O-N 3.43Å; D85-T87 VanDerWaalsContact O-N 3.1Å; D85-T87 PolarHBondContact OD1-N 3.35Å; D85-T87 PolarHBondContact OD1-OG1 2.97Å; T87-N125 WeakPolarHBondContact CG2-ND2 3.38Å; T87-V126 HydrophobicContact CG2-CG2 3.79Å
88	D	98.6	Very high	97.9	Very high	76 Å²	76	56.4 Å²	56.4	41%	0.406	29%	0.292	S	S	.	.			trans	-109.3	101.2	-178	-178.7	-20.3	0	0	0	111.2	D85 T90 C91 L92	D85-D88 PolarHBondContact O-N 2.72Å; D88-T90 VanDerWaalsContact C-N 3.3Å; D88-T90 PolarHBondContact O-N 3.5Å; D88-T90 PolarHBondContact OD1-N 2.91Å; D88-C91 HydrophobicContact CB-CB 4.36Å; D88-C91 PolarHBondContact O-N 3.24Å; D88-C91 PolarHBondContact O-SG 3.01Å; D88-C91 PolarHBondContact OD1-N 3.39Å; D88-C91 VanDerWaalsContact OD1-N 3.11Å; D88-L92 WeakPolarHBondContact O-CG 3.23Å; D88-L92 PolarHBondContact O-N 3.39Å
89	S	98.5	Very high	98.2	Very high	60 Å²	60	51.4 Å²	51.4	42%	0.42	27%	0.265	S	S	.	.	H	α-helix	trans	-61	-35	-178.8	-54.5	0	0	0	0	113.7	L92 V93 R133	S89-L92 PolarHBondContact O-N 2.81Å; S89-V93 WeakPolarHBondContact O-CG2 3.47Å; S89-V93 PolarHBondContact O-N 3.08Å; S89-V93 VanDerWaalsContact O-N 3.07Å; S89-R133 WeakPolarHBondContact OG-CD 3.35Å
90	T	98.5	Very high	98.3	Very high	113 Å²	113	54.6 Å²	54.6	69%	0.693	28%	0.279	S	S	*	.	H	α-helix	trans	-70.4	-41.5	-175.1	-56.2	0	0	0	0	110.3	D88 L92 V93 K94	D88-T90 VanDerWaalsContact C-N 3.3Å; D88-T90 PolarHBondContact O-N 3.5Å; D88-T90 PolarHBondContact OD1-N 2.91Å; T90-L92 VanDerWaalsContact C-N 3.34Å; T90-L92 PolarHBondContact O-N 3.49Å; T90-V93 PolarHBondContact O-N 2.94Å; T90-K94 WeakPolarHBondContact O-CB 3.49Å; T90-K94 PolarHBondContact O-N 2.91Å
91	C	98	Very high	98.4	Very high	21 Å²	21	51.2 Å²	51.2	14%	0.142	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-39.9	177.9	85.7	0	0	0	0	111.7	G84 D85 D88 K94 I95	G84-C91 VanDerWaalsContact CA-SG 3.58Å; D85-C91 PolarHBondContact N-SG 3.45Å; D85-C91 VanDerWaalsContact N-SG 3.41Å; D88-C91 HydrophobicContact CB-CB 4.36Å; D88-C91 PolarHBondContact O-N 3.24Å; D88-C91 PolarHBondContact O-SG 3.01Å; D88-C91 PolarHBondContact OD1-N 3.39Å; D88-C91 VanDerWaalsContact OD1-N 3.11Å; C91-K94 PolarHBondContact O-N 3.06Å; C91-I95 WeakPolarHBondContact O-CD1 3.29Å; C91-I95 VanDerWaalsContact O-CG1 3.23Å; C91-I95 WeakPolarHBondContact O-CG1 3.45Å; C91-I95 PolarHBondContact O-N 3.43Å
92	L	98.8	Very high	98.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-45.5	178.7	-63.1	177.7	0	0	0	111.5	I52 L86 D88 S89 T90 K94 I95 I96 R133 L134 A137	I52-L92 HydrophobicContact CD1-CD2 3.85Å; L86-L92 HydrophobicContact CD2-CD1 4.49Å; L86-L92 HydrophobicContact CD2-CD2 4.38Å; D88-L92 WeakPolarHBondContact O-CG 3.23Å; D88-L92 PolarHBondContact O-N 3.39Å; S89-L92 PolarHBondContact O-N 2.81Å; T90-L92 VanDerWaalsContact C-N 3.34Å; T90-L92 PolarHBondContact O-N 3.49Å; L92-K94 PolarHBondContact O-N 3.45Å; L92-I95 PolarHBondContact O-N 3.02Å; L92-I96 WeakPolarHBondContact O-CB 3.32Å; L92-I96 WeakPolarHBondContact O-CG1 3.28Å; L92-I96 PolarHBondContact O-N 3.04Å; L92-R133 HydrophobicContact CD1-CB 3.87Å; L92-L134 HydrophobicContact CD1-CD2 4.16Å; L92-L134 HydrophobicContact CD1-CG 4.21Å; L92-L134 HydrophobicContact CD2-CD2 3.94Å; L92-L134 HydrophobicContact CG-CD2 4.44Å; L92-A137 HydrophobicContact CB-CB 4.35Å
93	V	98.8	Very high	98.5	Very high	47 Å²	47	50.4 Å²	50.4	29%	0.285	26%	0.263	S	S	.	.	H	α-helix	trans	-59.9	-46.9	175.4	171.3	0	0	0	0	110.7	S89 T90 I95 I96 N97 A137 T140	S89-V93 WeakPolarHBondContact O-CG2 3.47Å; S89-V93 PolarHBondContact O-N 3.08Å; S89-V93 VanDerWaalsContact O-N 3.07Å; T90-V93 PolarHBondContact O-N 2.94Å; V93-I95 PolarHBondContact O-N 2.83Å; V93-I96 PolarHBondContact O-N 2.91Å; V93-N97 WeakPolarHBondContact O-CB 3.36Å; V93-N97 PolarHBondContact O-N 3.25Å; V93-A137 HydrophobicContact CG2-CB 3.71Å; V93-T140 HydrophobicContact CG1-CG2 4.39Å
94	K	98.8	Very high	98.6	Very high	124 Å²	124	42.4 Å²	42.4	54%	0.539	23%	0.232	S	C	.	.	H	α-helix	trans	-56.8	-53.5	178	-179.1	-171.6	171.2	-172.7	0	111.3	T90 C91 L92 I96 N97 E98	T90-K94 WeakPolarHBondContact O-CB 3.49Å; T90-K94 PolarHBondContact O-N 2.91Å; C91-K94 PolarHBondContact O-N 3.06Å; L92-K94 PolarHBondContact O-N 3.45Å; K94-I96 PolarHBondContact O-N 3.09Å; K94-N97 PolarHBondContact O-N 3.04Å; K94-E98 WeakPolarHBondContact CE-OE1 3.24Å; K94-E98 HydrophobicContact CG-CG 4.49Å; K94-E98 WeakPolarHBondContact CG-OE1 3.49Å; K94-E98 IonicContact NZ-OE1 3.06Å; K94-E98 WeakPolarHBondContact O-CB 3.36Å; K94-E98 WeakPolarHBondContact O-CG 3.33Å; K94-E98 PolarHBondContact O-N 3.1Å
95	I	98.8	Very high	98.6	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-47.7	-176.7	-66.5	164.1	0	0	0	110.7	I26 I52 H82 C91 L92 V93 N97 E98 V99	I26-I95 HydrophobicContact CD1-CG2 4.18Å; I52-I95 HydrophobicContact CD1-CD1 4.1Å; I52-I95 HydrophobicContact CD1-CG2 4.33Å; I52-I95 HydrophobicContact CG1-CD1 4.27Å; I52-I95 HydrophobicContact CG1-CG2 4.44Å; I52-I95 HydrophobicContact CG2-CD1 4.42Å; H82-I95 HydrophobicContact CB-CD1 3.75Å; H82-I95 HydrophobicContact CB-CG1 3.94Å; H82-I95 HydrophobicContact CB-CG2 4.31Å; C91-I95 WeakPolarHBondContact O-CD1 3.29Å; C91-I95 VanDerWaalsContact O-CG1 3.23Å; C91-I95 WeakPolarHBondContact O-CG1 3.45Å; C91-I95 PolarHBondContact O-N 3.43Å; L92-I95 PolarHBondContact O-N 3.02Å; V93-I95 PolarHBondContact O-N 2.83Å; I95-N97 VanDerWaalsContact C-N 3.31Å; I95-N97 PolarHBondContact O-N 2.92Å; I95-E98 PolarHBondContact O-N 2.86Å; I95-V99 HydrophobicContact CG2-CG2 4.25Å; I95-V99 WeakPolarHBondContact O-CB 3.4Å; I95-V99 VanDerWaalsContact O-CG2 3.3Å; I95-V99 WeakPolarHBondContact O-CG2 3.27Å; I95-V99 PolarHBondContact O-N 2.96Å
96	I	98.8	Very high	98.6	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-39.6	179.8	-69.9	169	0	0	0	110.9	I26 L92 V93 K94 K100 I104 L134 A137 I138 C141 L143	I26-I96 HydrophobicContact CD1-CG1 4.07Å; L92-I96 WeakPolarHBondContact O-CB 3.32Å; L92-I96 WeakPolarHBondContact O-CG1 3.28Å; L92-I96 PolarHBondContact O-N 3.04Å; V93-I96 PolarHBondContact O-N 2.91Å; K94-I96 PolarHBondContact O-N 3.09Å; I96-K100 WeakPolarHBondContact O-CA 3.48Å; I96-K100 PolarHBondContact O-N 3Å; I96-I104 HydrophobicContact CD1-CD1 4.22Å; I96-I104 HydrophobicContact CG1-CD1 4.28Å; I96-L134 HydrophobicContact CD1-CD2 4.05Å; I96-A137 HydrophobicContact CD1-CB 3.65Å; I96-I138 HydrophobicContact CD1-CG1 4.21Å; I96-C141 HydrophobicContact CG2-CB 4.15Å; I96-L143 HydrophobicContact CG2-CD1 3.83Å
97	N	98.5	Very high	98.6	Very high	81 Å²	81	40.3 Å²	40.3	43%	0.433	22%	0.218	S	C	.	.	H	α-helix	trans	-68.7	-37	179.5	-168.5	52.6	0	0	0	113.1	V93 K94 I95 K100	V93-N97 WeakPolarHBondContact O-CB 3.36Å; V93-N97 PolarHBondContact O-N 3.25Å; K94-N97 PolarHBondContact O-N 3.04Å; I95-N97 VanDerWaalsContact C-N 3.31Å; I95-N97 PolarHBondContact O-N 2.92Å; N97-K100 WeakPolarHBondContact O-CD 3.36Å; N97-K100 WeakPolarHBondContact O-CE 3.41Å; N97-K100 WeakPolarHBondContact O-CG 3.4Å; N97-K100 WeakPolarHBondContact OD1-CE 3.37Å; N97-K100 PolarHBondContact OD1-NZ 3.27Å
98	E	98.4	Very high	98.6	Very high	115 Å²	115	38.3 Å²	38.3	54%	0.537	21%	0.208	S	C	.	.	H	α-helix	trans	-74.2	-44.7	178	-73.7	175.5	-179.7	0	0	111.9	K94 I95	K94-E98 WeakPolarHBondContact CE-OE1 3.24Å; K94-E98 HydrophobicContact CG-CG 4.49Å; K94-E98 WeakPolarHBondContact CG-OE1 3.49Å; K94-E98 IonicContact NZ-OE1 3.06Å; K94-E98 WeakPolarHBondContact O-CB 3.36Å; K94-E98 WeakPolarHBondContact O-CG 3.33Å; K94-E98 PolarHBondContact O-N 3.1Å; I95-E98 PolarHBondContact O-N 2.86Å
99	V	98.5	Very high	98.6	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-74.9	-38.3	-176.3	173.6	0	0	0	0	111.7	R22 V24 I26 H50 I95 P101	R22-V99 PolarHBondContact NH2-O 3.38Å; V24-V99 HydrophobicContact CG1-CG1 3.61Å; I26-V99 HydrophobicContact CD1-CB 3.98Å; I26-V99 HydrophobicContact CD1-CG1 3.96Å; I26-V99 HydrophobicContact CD1-CG2 4.34Å; I26-V99 HydrophobicContact CG1-CB 4.37Å; I26-V99 HydrophobicContact CG1-CG1 3.85Å; H50-V99 HydrophobicContact CB-CG1 4.39Å; H50-V99 HydrophobicContact CB-CG2 4.34Å; H50-V99 VanDerWaalsContact CD2-CG1 3.4Å; H50-V99 WeakPolarHBondContact CD2-CG1 3.43Å; I95-V99 HydrophobicContact CG2-CG2 4.25Å; I95-V99 WeakPolarHBondContact O-CB 3.4Å; I95-V99 VanDerWaalsContact O-CG2 3.3Å; I95-V99 WeakPolarHBondContact O-CG2 3.27Å; I95-V99 PolarHBondContact O-N 2.96Å; V99-P101 HydrophobicContact CG1-CB 4.2Å
100	K	98.3	Very high	98.6	Very high	69 Å²	69	34.7 Å²	34.7	30%	0.3	19%	0.187	S	C	.	.			trans	47.6	62.9	-171	-59.2	-59.2	-161.8	-178.2	0	111.1	I96 N97 L143	I96-K100 WeakPolarHBondContact O-CA 3.48Å; I96-K100 PolarHBondContact O-N 3Å; N97-K100 WeakPolarHBondContact O-CD 3.36Å; N97-K100 WeakPolarHBondContact O-CE 3.41Å; N97-K100 WeakPolarHBondContact O-CG 3.4Å; N97-K100 WeakPolarHBondContact OD1-CE 3.37Å; N97-K100 PolarHBondContact OD1-NZ 3.27Å; K100-L143 HydrophobicContact CD-CD1 4Å; K100-L143 HydrophobicContact CD-CD2 4.17Å
101	P	98.6	Very high	98.4	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.026	17%	0.172	C	C	.	.			trans	-66.6	163	-173.8	31	-37.5	0	0	0	111.9	I26 V99 I104 V147	I26-P101 HydrophobicContact CD1-CB 4.05Å; I26-P101 HydrophobicContact CD1-CG 3.68Å; I26-P101 HydrophobicContact CG1-CB 3.96Å; I26-P101 HydrophobicContact CG1-CG 4.14Å; V99-P101 HydrophobicContact CG1-CB 4.2Å; P101-I104 HydrophobicContact CB-CG1 4.13Å; P101-I104 HydrophobicContact CG-CD1 3.69Å; P101-I104 HydrophobicContact CG-CG1 3.65Å; P101-V147 HydrophobicContact CG-CG2 4.18Å; P101-V147 WeakPolarHBondContact O-CG2 3.35Å
102	T	98.8	Very high	98.4	Very high	38 Å²	38	32.2 Å²	32.2	23%	0.233	17%	0.172	C	C	.	.	S	Bend	trans	-98.4	-27.8	165.8	55.9	0	0	0	0	112	R22 V24 K148	R22-T102 WeakPolarHBondContact O-CG2 3.46Å; V24-T102 PolarHBondContact N-OG1 2.73Å; V24-T102 PolarHBondContact O-N 3.07Å; V24-T102 PolarHBondContact O-OG1 2.94Å; V24-T102 VanDerWaalsContact O-OG1 3.1Å; T102-K148 PolarHBondContact O-N 3.35Å
103	E	98.9	Very high	98.3	Very high	10 Å²	10	32.6 Å²	32.6	5%	0.047	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.3	179.1	-65.7	173.4	-166.6	0	0	110.1	V24 A25 I26 Y47 Y105 K148 L262 Q263	V24-E103 PolarHBondContact O-N 2.78Å; V24-E103 VanDerWaalsContact O-N 3.15Å; A25-E103 CarbonylContact C-O 3.07Å; A25-E103 VanDerWaalsContact CA-O 3.28Å; A25-E103 WeakPolarHBondContact CA-O 3.43Å; I26-E103 PolarHBondContact N-O 3.02Å; Y47-E103 VanDerWaalsContact CE1-OE2 3.23Å; Y47-E103 WeakPolarHBondContact CE1-OE2 3.42Å; Y47-E103 PolarHBondContact OH-OE1 3.16Å; Y47-E103 PolarHBondContact OH-OE2 3.01Å; E103-Y105 HydrophobicContact CB-CE2 3.9Å; E103-Y105 PolarHBondContact OE2-OH 3.21Å; E103-K148 CarbonylContact C-O 3.59Å; E103-K148 WeakPolarHBondContact CA-O 3.5Å; E103-K148 HydrophobicContact CG-CB 4.48Å; E103-L262 HydrophobicContact CB-CD1 3.97Å; E103-L262 HydrophobicContact CG-CD1 4.02Å; E103-Q263 PolarHBondContact OE1-NE2 2.92Å
104	I	98.9	Very high	98.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.7	173.5	-60.9	-176.8	0	0	0	108.9	I26 I96 P101 I138 V147 K148 F149 Y150	I26-I104 HydrophobicContact CB-CG1 4.26Å; I26-I104 CarbonylContact O-C 3.53Å; I26-I104 WeakPolarHBondContact O-CA 3.3Å; I96-I104 HydrophobicContact CD1-CD1 4.22Å; I96-I104 HydrophobicContact CG1-CD1 4.28Å; P101-I104 HydrophobicContact CB-CG1 4.13Å; P101-I104 HydrophobicContact CG-CD1 3.69Å; P101-I104 HydrophobicContact CG-CG1 3.65Å; I104-I138 HydrophobicContact CD1-CD1 3.73Å; I104-I138 HydrophobicContact CD1-CG1 3.74Å; I104-V147 HydrophobicContact CB-CG1 4.45Å; I104-V147 HydrophobicContact CD1-CG1 3.92Å; I104-V147 HydrophobicContact CG1-CG1 3.91Å; I104-K148 PolarHBondContact N-O 2.92Å; I104-F149 HydrophobicContact CB-CD2 3.96Å; I104-F149 HydrophobicContact CG2-CD2 3.83Å; I104-F149 HydrophobicContact CG2-CE2 3.9Å; I104-F149 WeakPolarHBondContact O-CA 3.35Å; I104-Y150 PolarHBondContact O-N 2.88Å
105	Y	98.9	Very high	98	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	107.8	175.9	-61.8	-92.1	0	0	0	109.5	A25 I26 I27 T28 L38 L42 E103 L107 Y150 M258 L262	A25-Y105 HydrophobicContact CB-CD2 4.44Å; A25-Y105 HydrophobicContact CB-CE2 4.23Å; I26-Y105 PolarHBondContact O-N 3.24Å; I27-Y105 HydrophobicContact CG1-CD2 4.37Å; T28-Y105 PolarHBondContact N-O 3.44Å; L38-Y105 HydrophobicContact CD1-CE1 4.39Å; L38-Y105 HydrophobicContact CD2-CD1 3.6Å; L38-Y105 HydrophobicContact CD2-CD2 3.91Å; L38-Y105 HydrophobicContact CD2-CE1 4.1Å; L38-Y105 HydrophobicContact CD2-CE2 4.36Å; L38-Y105 HydrophobicContact CD2-CG 3.49Å; L38-Y105 VanDerWaalsContact CD2-CG 3.49Å; L42-Y105 HydrophobicContact CD1-CD2 4.27Å; L42-Y105 HydrophobicContact CD1-CE2 3.71Å; E103-Y105 HydrophobicContact CB-CE2 3.9Å; E103-Y105 PolarHBondContact OE2-OH 3.21Å; Y105-L107 PolarHBondContact O-N 2.85Å; Y105-Y150 AromaticContact CD1-CD1 3.91Å; Y105-Y150 HydrophobicContact CD1-CD1 3.91Å; Y105-Y150 AromaticContact CD1-CG 3.87Å; Y105-Y150 HydrophobicContact CD1-CG 3.87Å; Y105-Y150 HydrophobicContact CE1-CG 4.4Å; Y105-M258 HydrophobicContact CD1-CB 4.33Å; Y105-M258 HydrophobicContact CE1-CB 4.13Å; Y105-L262 HydrophobicContact CD1-CD1 4.31Å; Y105-L262 HydrophobicContact CE1-CD1 3.63Å; Y105-L262 HydrophobicContact CE1-CG 4.23Å; Y105-L262 HydrophobicContact CE2-CD1 4.12Å
106	N	98.9	Very high	98	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	85.9	178.3	-173.5	32.2	0	0	0	111.2	T28 T131 L134 F149 Y150 Q151 A152	T28-N106 VanDerWaalsContact OG1-CA 3.31Å; T28-N106 WeakPolarHBondContact OG1-CA 3.44Å; T28-N106 PolarHBondContact OG1-OD1 2.96Å; N106-T131 PolarHBondContact ND2-OG1 3.3Å; N106-L134 HydrophobicContact CB-CD1 3.85Å; N106-L134 WeakPolarHBondContact OD1-CD1 3.48Å; N106-F149 HydrophobicContact CB-CE1 4.44Å; N106-F149 HydrophobicContact CB-CE2 4.05Å; N106-F149 HydrophobicContact CB-CZ 3.63Å; N106-Y150 PolarHBondContact N-O 3.29Å; N106-Q151 PolarHBondContact ND2-OE1 3.02Å; N106-A152 VanDerWaalsContact O-CB 3.28Å; N106-A152 WeakPolarHBondContact O-CB 3.26Å; N106-A152 PolarHBondContact O-N 3.31Å
107	L	98.9	Very high	98	Very high	23 Å²	23	31.5 Å²	31.5	12%	0.12	17%	0.167	C	C	.	.			trans	-104.9	-5.7	179.4	-40.9	-179.7	0	0	0	113	I27 T28 D34 L38 Y105 A109 Y150 A152 M258	I27-L107 HydrophobicContact CG2-CD1 3.89Å; I27-L107 HydrophobicContact CG2-CG 4.32Å; T28-L107 CarbonylContact O-C 3.6Å; T28-L107 WeakPolarHBondContact O-CA 3.28Å; T28-L107 VanDerWaalsContact O-CB 3.26Å; T28-L107 WeakPolarHBondContact O-CB 3.35Å; T28-L107 PolarHBondContact O-N 3.15Å; T28-L107 PolarHBondContact OG1-N 3.04Å; D34-L107 HydrophobicContact CB-CD1 4.29Å; L38-L107 HydrophobicContact CD2-CD1 3.87Å; Y105-L107 PolarHBondContact O-N 2.85Å; L107-A109 PolarHBondContact O-N 3.33Å; L107-Y150 HydrophobicContact CD2-CD1 3.9Å; L107-Y150 HydrophobicContact CD2-CE1 3.62Å; L107-A152 HydrophobicContact CD2-CB 3.88Å; L107-M258 HydrophobicContact CD1-SD 4.4Å; L107-M258 HydrophobicContact CD2-CE 4.37Å; L107-M258 HydrophobicContact CD2-SD 3.95Å
108	G	98.3	Very high	97.9	Very high	9 Å²	9	33.2 Å²	33.2	9%	0.093	18%	0.176	C	C	.	.			trans	-69.1	126.9	176.5	0	0	0	0	0	111.9	T28 L86	T28-G108 PolarHBondContact O-N 3.16Å; T28-G108 PolarHBondContact OG1-N 2.99Å; L86-G108 WeakPolarHBondContact CD1-O 3.27Å
109	A	98.2	Very high	97.9	Very high	34 Å²	34	32 Å²	32	28%	0.281	17%	0.173	S	C	.	.	S	Bend	trans	-163.5	159.9	-179.8	0	0	0	0	0	112	L107 S111 D127	L107-A109 PolarHBondContact O-N 3.33Å; A109-S111 PolarHBondContact O-N 3.17Å; A109-D127 VanDerWaalsContact CA-OD1 3.25Å; A109-D127 WeakPolarHBondContact CA-OD1 3.35Å; A109-D127 WeakPolarHBondContact CB-OD1 3.37Å
110	Q	98.1	Very high	97.9	Very high	25 Å²	25	33.6 Å²	33.6	12%	0.117	19%	0.187	C	C	.	.			trans	-82.7	86.5	153.7	-166.7	-65.3	104.4	0	0	107.8	H112 Y122 T123 D127 Y178	Q110-H112 PolarHBondContact NE2-O 3.1Å; Q110-H112 PolarHBondContact O-N 3.23Å; Q110-H112 PolarHBondContact OE1-O 2.83Å; Q110-Y122 HydrophobicContact CB-CD1 4.32Å; Q110-Y122 HydrophobicContact CB-CE1 4.16Å; Q110-Y122 HydrophobicContact CG-CD1 4.18Å; Q110-Y122 HydrophobicContact CG-CE1 4.2Å; Q110-T123 PolarHBondContact NE2-OG1 2.64Å; Q110-D127 PolarHBondContact N-OD1 2.77Å; Q110-Y178 WeakPolarHBondContact O-CD2 3.35Å
111	S	95.2	Very high	97.9	Very high	54 Å²	54	38.6 Å²	38.6	38%	0.378	21%	0.211	S	C	.	.			trans	-84.7	2.4	-165.2	66.2	0	0	0	0	116.2	A109	A109-S111 PolarHBondContact O-N 3.17Å
112	H	97	Very high	97.9	Very high	29 Å²	29	42.5 Å²	42.5	13%	0.134	23%	0.226	C	C	.	.			trans	-97.6	108	-175.2	-166.5	-88.6	0	0	0	111.8	Q110 K114 I115 S116 N216 F217	Q110-H112 PolarHBondContact NE2-O 3.1Å; Q110-H112 PolarHBondContact O-N 3.23Å; Q110-H112 PolarHBondContact OE1-O 2.83Å; H112-K114 PolarHBondContact O-N 3.43Å; H112-I115 HydrophobicContact CB-CB 4.13Å; H112-I115 HydrophobicContact CB-CD1 3.9Å; H112-I115 HydrophobicContact CB-CG1 4.25Å; H112-I115 WeakPolarHBondContact ND1-CG1 3.3Å; H112-I115 PolarHBondContact ND1-N 3Å; H112-I115 PolarHBondContact O-N 3.41Å; H112-S116 PolarHBondContact O-N 3.37Å; H112-N216 PolarHBondContact NE2-O 3.43Å; H112-F217 HydrophobicContact CB-CZ 4.37Å
113	V	96.4	Very high	97.9	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-43.2	-172.9	-176.4	0	0	0	0	113.2	I115 S116 F117 E156 S176 Y178 R324	V113-I115 VanDerWaalsContact C-N 3.28Å; V113-I115 PolarHBondContact O-N 3.22Å; V113-S116 WeakPolarHBondContact O-CB 3.25Å; V113-S116 PolarHBondContact O-N 2.94Å; V113-S116 VanDerWaalsContact O-N 3.12Å; V113-S116 PolarHBondContact O-OG 2.9Å; V113-F117 HydrophobicContact CG1-CE2 4.31Å; V113-F117 WeakPolarHBondContact O-CD2 3.41Å; V113-E156 HydrophobicContact CG2-CG 4.26Å; V113-S176 WeakPolarHBondContact CG1-OG 3.49Å; V113-Y178 HydrophobicContact CG2-CD1 3.69Å; V113-Y178 HydrophobicContact CG2-CE1 4.19Å; V113-Y178 HydrophobicContact CG2-CG 4.16Å; V113-R324 VanDerWaalsContact CB-CZ 3.46Å
114	K	95.6	Very high	97.9	Very high	50 Å²	50	42.3 Å²	42.3	22%	0.217	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-34.5	178	172.6	65.8	-171.5	84.9	0	112.3	H112 S116 D118 R324	H112-K114 PolarHBondContact O-N 3.43Å; K114-S116 VanDerWaalsContact C-N 3.29Å; K114-D118 IonicContact NZ-OD1 3.12Å; K114-D118 IonicContact NZ-OD2 2.75Å; K114-D118 PolarHBondContact NZ-OD2 3.07Å; K114-R324 HydrophobicContact CB-CG 4.44Å; K114-R324 HydrophobicContact CD-CG 4.28Å
115	I	96.9	Very high	97.9	Very high	54 Å²	54	45 Å²	45	28%	0.277	25%	0.245	S	C	.	.	H	α-helix	trans	-72.3	-29	178.6	-71.4	169.7	0	0	0	110	H112 V113 F117 D118 L119	H112-I115 HydrophobicContact CB-CB 4.13Å; H112-I115 HydrophobicContact CB-CD1 3.9Å; H112-I115 HydrophobicContact CB-CG1 4.25Å; H112-I115 WeakPolarHBondContact ND1-CG1 3.3Å; H112-I115 PolarHBondContact ND1-N 3Å; H112-I115 PolarHBondContact O-N 3.41Å; V113-I115 VanDerWaalsContact C-N 3.28Å; V113-I115 PolarHBondContact O-N 3.22Å; I115-F117 PolarHBondContact O-N 3.33Å; I115-D118 PolarHBondContact O-N 3.09Å; I115-L119 HydrophobicContact CG2-CB 4.41Å; I115-L119 HydrophobicContact CG2-CD1 3.82Å; I115-L119 HydrophobicContact CG2-CG 4.31Å; I115-L119 PolarHBondContact O-N 2.82Å
116	S	98.3	Very high	97.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-24.5	178.6	78.4	0	0	0	0	114.2	H112 V113 K114 D118 L119 A120 P177 Y178	H112-S116 PolarHBondContact O-N 3.37Å; V113-S116 WeakPolarHBondContact O-CB 3.25Å; V113-S116 PolarHBondContact O-N 2.94Å; V113-S116 VanDerWaalsContact O-N 3.12Å; V113-S116 PolarHBondContact O-OG 2.9Å; K114-S116 VanDerWaalsContact C-N 3.29Å; S116-D118 VanDerWaalsContact C-N 3.29Å; S116-L119 CarbonylContact O-C 3.58Å; S116-A120 WeakPolarHBondContact O-CA 3.43Å; S116-A120 WeakPolarHBondContact O-CB 3.38Å; S116-A120 PolarHBondContact O-N 3.26Å; S116-A120 VanDerWaalsContact O-N 3.08Å; S116-P177 WeakPolarHBondContact O-CB 2.98Å; S116-P177 WeakPolarHBondContact O-CG 3.42Å; S116-Y178 PolarHBondContact OG-N 2.96Å
117	F	97.5	Very high	97.9	Very high	51 Å²	51	45.4 Å²	45.4	22%	0.224	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-29.7	173.2	-71.2	-85.1	0	0	0	112.5	V113 I115 P177 R324 P325 T326	V113-F117 HydrophobicContact CG1-CE2 4.31Å; V113-F117 WeakPolarHBondContact O-CD2 3.41Å; I115-F117 PolarHBondContact O-N 3.33Å; F117-P177 HydrophobicContact CD1-CG 4.38Å; F117-R324 HydrophobicContact CE2-CB 4.26Å; F117-P325 HydrophobicContact CD1-CB 4.25Å; F117-P325 HydrophobicContact CD1-CG 3.7Å; F117-P325 HydrophobicContact CE1-CB 3.99Å; F117-P325 HydrophobicContact CE1-CG 3.89Å; F117-P325 HydrophobicContact CG-CG 4.07Å; F117-P325 HydrophobicContact CZ-CG 4.42Å; F117-T326 WeakPolarHBondContact CZ-OG1 3.39Å
118	D	97.4	Very high	97.9	Very high	117 Å²	117	44.4 Å²	44.4	63%	0.626	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-21.4	-178.6	-54.4	-48.7	0	0	0	111.5	K114 I115 S116	K114-D118 IonicContact NZ-OD1 3.12Å; K114-D118 IonicContact NZ-OD2 2.75Å; K114-D118 PolarHBondContact NZ-OD2 3.07Å; I115-D118 PolarHBondContact O-N 3.09Å; S116-D118 VanDerWaalsContact C-N 3.29Å
119	L	98	Very high	97.9	Very high	89 Å²	89	46.5 Å²	46.5	47%	0.466	25%	0.253	S	S	.	.	S	Bend	trans	-129.4	48.5	-179.2	-66.7	178.6	0	0	0	112.1	I115 S116 E121 Y122 T123	I115-L119 HydrophobicContact CG2-CB 4.41Å; I115-L119 HydrophobicContact CG2-CD1 3.82Å; I115-L119 HydrophobicContact CG2-CG 4.31Å; I115-L119 PolarHBondContact O-N 2.82Å; S116-L119 CarbonylContact O-C 3.58Å; L119-E121 PolarHBondContact O-N 3.2Å; L119-Y122 PolarHBondContact O-N 3.06Å; L119-T123 WeakPolarHBondContact O-CB 3.26Å; L119-T123 PolarHBondContact O-N 3.3Å; L119-T123 PolarHBondContact O-OG1 3.24Å
120	A	98.5	Very high	98	Very high	41 Å²	41	44.9 Å²	44.9	34%	0.339	24%	0.24	S	C	.	.	H	α-helix	trans	-61.3	-47	-172.2	0	0	0	0	0	113.3	S116 T123 A124 P177	S116-A120 WeakPolarHBondContact O-CA 3.43Å; S116-A120 WeakPolarHBondContact O-CB 3.38Å; S116-A120 PolarHBondContact O-N 3.26Å; S116-A120 VanDerWaalsContact O-N 3.08Å; A120-T123 PolarHBondContact O-N 3.27Å; A120-A124 PolarHBondContact O-N 2.8Å; A120-P177 HydrophobicContact CB-CB 3.85Å; A120-P177 HydrophobicContact CB-CG 4.02Å
121	E	98.8	Very high	98	Very high	174 Å²	174	43.7 Å²	43.7	81%	0.813	23%	0.234	S	C	*	.	H	α-helix	trans	-63.2	-45.1	-179.7	-66.7	179.2	-178.5	0	0	112.2	L119 T123 A124 N125	L119-E121 PolarHBondContact O-N 3.2Å; E121-T123 VanDerWaalsContact C-N 3.34Å; E121-T123 PolarHBondContact O-N 3.28Å; E121-A124 PolarHBondContact O-N 2.72Å; E121-N125 WeakPolarHBondContact O-CB 3.43Å; E121-N125 PolarHBondContact O-N 3.1Å
122	Y	98.8	Very high	98.2	Very high	87 Å²	87	43 Å²	43	34%	0.341	23%	0.226	S	C	.	.	H	α-helix	trans	-62.6	-42.8	176.1	179.3	-103.6	0	0	0	111.3	R54 Q110 L119 A124 N125 V126	R54-Y122 PolarHBondContact NH1-OH 2.85Å; Q110-Y122 HydrophobicContact CB-CD1 4.32Å; Q110-Y122 HydrophobicContact CB-CE1 4.16Å; Q110-Y122 HydrophobicContact CG-CD1 4.18Å; Q110-Y122 HydrophobicContact CG-CE1 4.2Å; L119-Y122 PolarHBondContact O-N 3.06Å; Y122-A124 VanDerWaalsContact C-N 3.35Å; Y122-A124 PolarHBondContact O-N 3.36Å; Y122-N125 PolarHBondContact O-N 3.19Å; Y122-V126 HydrophobicContact CD1-CG2 4.43Å; Y122-V126 HydrophobicContact CD2-CG2 4.16Å; Y122-V126 HydrophobicContact CE1-CG2 3.96Å; Y122-V126 HydrophobicContact CE2-CG2 3.65Å; Y122-V126 WeakPolarHBondContact O-CG2 3.31Å; Y122-V126 PolarHBondContact O-N 2.69Å
123	T	98.8	Very high	98.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-44.5	176.1	-55	0	0	0	0	111	Q110 L119 A120 E121 N125 D127 Y178 A181	Q110-T123 PolarHBondContact NE2-OG1 2.64Å; L119-T123 WeakPolarHBondContact O-CB 3.26Å; L119-T123 PolarHBondContact O-N 3.3Å; L119-T123 PolarHBondContact O-OG1 3.24Å; A120-T123 PolarHBondContact O-N 3.27Å; E121-T123 VanDerWaalsContact C-N 3.34Å; E121-T123 PolarHBondContact O-N 3.28Å; T123-N125 PolarHBondContact O-N 3.16Å; T123-D127 VanDerWaalsContact O-CB 3.26Å; T123-D127 WeakPolarHBondContact O-CB 3.14Å; T123-D127 PolarHBondContact O-N 2.99Å; T123-Y178 HydrophobicContact CG2-CD2 4.4Å; T123-A181 HydrophobicContact CG2-CB 4.47Å
124	A	98.8	Very high	98.4	Very high	44 Å²	44	43.5 Å²	43.5	36%	0.364	23%	0.226	S	C	.	.	I	π-helix	trans	-63.3	-41.1	176.3	0	0	0	0	0	112.7	A120 E121 Y122 G128 V129	A120-A124 PolarHBondContact O-N 2.8Å; E121-A124 PolarHBondContact O-N 2.72Å; Y122-A124 VanDerWaalsContact C-N 3.35Å; Y122-A124 PolarHBondContact O-N 3.36Å; A124-G128 WeakPolarHBondContact O-CA 3.48Å; A124-G128 PolarHBondContact O-N 3.04Å; A124-G128 VanDerWaalsContact O-N 3.08Å; A124-V129 PolarHBondContact O-N 3.15Å
125	N	98.8	Very high	98.5	Very high	57 Å²	57	41.1 Å²	41.1	31%	0.305	22%	0.216	S	C	.	.	I	π-helix	trans	-67.4	-37	-178.4	-169.7	23.7	0	0	0	112.9	T87 E121 Y122 T123 G130 R133	T87-N125 WeakPolarHBondContact CG2-ND2 3.38Å; E121-N125 WeakPolarHBondContact O-CB 3.43Å; E121-N125 PolarHBondContact O-N 3.1Å; Y122-N125 PolarHBondContact O-N 3.19Å; T123-N125 PolarHBondContact O-N 3.16Å; N125-G130 PolarHBondContact O-N 3.14Å; N125-R133 PolarHBondContact O-NH1 2.55Å; N125-R133 PolarHBondContact OD1-NH1 3.24Å; N125-R133 VanDerWaalsContact OD1-NH1 3.13Å; N125-R133 PolarHBondContact OD1-NH2 3.49Å
126	V	98.8	Very high	98.6	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.042	22%	0.219	C	C	.	.	I	π-helix	trans	-83.4	-56.1	178.6	177.3	0	0	0	0	111	L86 T87 Y122 G130	L86-V126 HydrophobicContact CB-CG1 4.28Å; L86-V126 HydrophobicContact CD1-CG1 3.98Å; T87-V126 HydrophobicContact CG2-CG2 3.79Å; Y122-V126 HydrophobicContact CD1-CG2 4.43Å; Y122-V126 HydrophobicContact CD2-CG2 4.16Å; Y122-V126 HydrophobicContact CE1-CG2 3.96Å; Y122-V126 HydrophobicContact CE2-CG2 3.65Å; Y122-V126 WeakPolarHBondContact O-CG2 3.31Å; Y122-V126 PolarHBondContact O-N 2.69Å; V126-G130 VanDerWaalsContact O-CA 3.26Å; V126-G130 WeakPolarHBondContact O-CA 3.45Å; V126-G130 PolarHBondContact O-N 2.69Å
127	D	98.8	Very high	98.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.22	C	C	.	.	I	π-helix	trans	-79.6	-34.2	-167.1	-64.8	20.3	0	0	0	111.9	A109 Q110 T123 T131 Y178 A181 A185	A109-D127 VanDerWaalsContact CA-OD1 3.25Å; A109-D127 WeakPolarHBondContact CA-OD1 3.35Å; A109-D127 WeakPolarHBondContact CB-OD1 3.37Å; Q110-D127 PolarHBondContact N-OD1 2.77Å; T123-D127 VanDerWaalsContact O-CB 3.26Å; T123-D127 WeakPolarHBondContact O-CB 3.14Å; T123-D127 PolarHBondContact O-N 2.99Å; D127-T131 PolarHBondContact O-OG1 2.93Å; D127-Y178 VanDerWaalsContact OD2-CD2 3.27Å; D127-Y178 WeakPolarHBondContact OD2-CD2 3.28Å; D127-Y178 VanDerWaalsContact OD2-CE2 3.3Å; D127-Y178 WeakPolarHBondContact OD2-CE2 3.28Å; D127-A181 HydrophobicContact CB-CB 3.99Å; D127-A185 WeakPolarHBondContact O-CB 3.44Å
128	G	98.8	Very high	98.7	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.021	21%	0.209	C	C	.	.	I	π-helix	trans	-88.8	-73.8	176.2	0	0	0	0	0	111.7	A124 G130 T131 Y184	A124-G128 WeakPolarHBondContact O-CA 3.48Å; A124-G128 PolarHBondContact O-N 3.04Å; A124-G128 VanDerWaalsContact O-N 3.08Å; G128-G130 VanDerWaalsContact C-N 3.31Å; G128-G130 PolarHBondContact O-N 2.93Å; G128-T131 WeakPolarHBondContact O-CB 3.26Å; G128-T131 PolarHBondContact O-N 2.98Å; G128-T131 VanDerWaalsContact O-N 3.13Å; G128-Y184 WeakPolarHBondContact O-CE1 3.49Å
129	V	98.9	Very high	98.8	Very high	53 Å²	53	37.8 Å²	37.8	32%	0.321	20%	0.197	S	C	.	.	I	π-helix	trans	-66.8	-31	-172.6	-172.9	0	0	0	0	112.3	A124 T131 L132 R133	A124-V129 PolarHBondContact O-N 3.15Å; V129-T131 VanDerWaalsContact C-N 3.26Å; V129-T131 PolarHBondContact O-N 2.82Å; V129-L132 WeakPolarHBondContact O-CB 3.25Å; V129-L132 PolarHBondContact O-N 3Å; V129-L132 VanDerWaalsContact O-N 3.15Å; V129-R133 WeakPolarHBondContact O-CG 3.44Å; V129-R133 PolarHBondContact O-N 2.82Å
130	G	98.9	Very high	98.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-33.4	174.2	0	0	0	0	0	113.4	L86 N125 V126 G128 R133 L134	L86-G130 WeakPolarHBondContact O-CA 3.47Å; N125-G130 PolarHBondContact O-N 3.14Å; V126-G130 VanDerWaalsContact O-CA 3.26Å; V126-G130 WeakPolarHBondContact O-CA 3.45Å; V126-G130 PolarHBondContact O-N 2.69Å; G128-G130 VanDerWaalsContact C-N 3.31Å; G128-G130 PolarHBondContact O-N 2.93Å; G130-R133 PolarHBondContact O-N 3.21Å; G130-L134 PolarHBondContact O-N 3.06Å; G130-L134 VanDerWaalsContact O-N 3.15Å
131	T	98.9	Very high	98.8	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-46.1	172.8	-56.6	0	0	0	0	110.8	N106 D127 G128 V129 R133 L134 L135 F149 Q151 A185 I188 V189	N106-T131 PolarHBondContact ND2-OG1 3.3Å; D127-T131 PolarHBondContact O-OG1 2.93Å; G128-T131 WeakPolarHBondContact O-CB 3.26Å; G128-T131 PolarHBondContact O-N 2.98Å; G128-T131 VanDerWaalsContact O-N 3.13Å; V129-T131 VanDerWaalsContact C-N 3.26Å; V129-T131 PolarHBondContact O-N 2.82Å; T131-R133 PolarHBondContact O-N 2.82Å; T131-L134 PolarHBondContact O-N 3.31Å; T131-L135 HydrophobicContact CG2-CD1 4.31Å; T131-L135 WeakPolarHBondContact O-CG 3.47Å; T131-L135 PolarHBondContact O-N 2.89Å; T131-L135 VanDerWaalsContact O-N 3.16Å; T131-F149 HydrophobicContact CG2-CZ 4.43Å; T131-Q151 VanDerWaalsContact CG2-OE1 3.28Å; T131-Q151 PolarHBondContact OG1-NE2 3.44Å; T131-A185 HydrophobicContact CG2-CB 4.1Å; T131-A185 WeakPolarHBondContact OG1-CB 3.47Å; T131-I188 HydrophobicContact CG2-CG2 4.13Å; T131-V189 HydrophobicContact CG2-CG2 3.77Å
132	L	98.9	Very high	98.8	Very high	40 Å²	40	31.8 Å²	31.8	21%	0.209	18%	0.184	C	C	.	.	H	α-helix	trans	-58.5	-45.9	174.2	171.4	63.3	0	0	0	111.4	V129 L134 L135 D136 Y184 I188 F192	V129-L132 WeakPolarHBondContact O-CB 3.25Å; V129-L132 PolarHBondContact O-N 3Å; V129-L132 VanDerWaalsContact O-N 3.15Å; L132-L134 VanDerWaalsContact C-N 3.28Å; L132-L134 PolarHBondContact O-N 2.8Å; L132-L135 PolarHBondContact O-N 3.29Å; L132-L135 VanDerWaalsContact O-N 3.15Å; L132-D136 WeakPolarHBondContact CD1-OD2 3.45Å; L132-D136 PolarHBondContact O-N 3.09Å; L132-Y184 HydrophobicContact CB-CE1 4.37Å; L132-Y184 WeakPolarHBondContact CD2-OH 3.2Å; L132-I188 HydrophobicContact CB-CG1 4.37Å; L132-I188 HydrophobicContact CD1-CD1 4.18Å; L132-I188 HydrophobicContact CD1-CG1 3.91Å; L132-F192 HydrophobicContact CD1-CE2 3.91Å; L132-F192 HydrophobicContact CD1-CZ 4.18Å
133	R	98.9	Very high	98.8	Very high	44 Å²	44	28.6 Å²	28.6	17%	0.166	17%	0.173	C	C	.	.	H	α-helix	trans	-58.7	-38.6	-180	-69.6	-177.5	-171	98.4	4.1	112.8	L86 S89 L92 N125 V129 G130 T131 A137	L86-R133 WeakPolarHBondContact O-CD 3.44Å; L86-R133 PolarHBondContact O-NH1 3.47Å; S89-R133 WeakPolarHBondContact OG-CD 3.35Å; L92-R133 HydrophobicContact CD1-CB 3.87Å; N125-R133 PolarHBondContact O-NH1 2.55Å; N125-R133 PolarHBondContact OD1-NH1 3.24Å; N125-R133 VanDerWaalsContact OD1-NH1 3.13Å; N125-R133 PolarHBondContact OD1-NH2 3.49Å; V129-R133 WeakPolarHBondContact O-CG 3.44Å; V129-R133 PolarHBondContact O-N 2.82Å; G130-R133 PolarHBondContact O-N 3.21Å; T131-R133 PolarHBondContact O-N 2.82Å; R133-A137 VanDerWaalsContact O-CB 3.27Å; R133-A137 WeakPolarHBondContact O-CB 3.4Å; R133-A137 PolarHBondContact O-N 3.16Å
134	L	98.8	Very high	98.7	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-65.7	-46.1	175.2	-81.1	171.3	0	0	0	112.1	T28 L86 L92 I96 N106 G130 T131 L132 A137 I138 F149	T28-L134 HydrophobicContact CG2-CD1 3.91Å; T28-L134 HydrophobicContact CG2-CD2 4.25Å; L86-L134 HydrophobicContact CD2-CD1 3.62Å; L86-L134 HydrophobicContact CD2-CD2 4.47Å; L86-L134 HydrophobicContact CD2-CG 3.95Å; L92-L134 HydrophobicContact CD1-CD2 4.16Å; L92-L134 HydrophobicContact CD1-CG 4.21Å; L92-L134 HydrophobicContact CD2-CD2 3.94Å; L92-L134 HydrophobicContact CG-CD2 4.44Å; I96-L134 HydrophobicContact CD1-CD2 4.05Å; N106-L134 HydrophobicContact CB-CD1 3.85Å; N106-L134 WeakPolarHBondContact OD1-CD1 3.48Å; G130-L134 PolarHBondContact O-N 3.06Å; G130-L134 VanDerWaalsContact O-N 3.15Å; T131-L134 PolarHBondContact O-N 3.31Å; L132-L134 VanDerWaalsContact C-N 3.28Å; L132-L134 PolarHBondContact O-N 2.8Å; L134-A137 PolarHBondContact O-N 3.35Å; L134-I138 WeakPolarHBondContact O-CG1 3.36Å; L134-I138 PolarHBondContact O-N 3.13Å; L134-F149 HydrophobicContact CB-CE2 4.16Å; L134-F149 HydrophobicContact CD1-CE2 4.36Å
135	L	98.9	Very high	98.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-44.8	178	-67.4	170	0	0	0	111.4	T131 L132 A137 I138 K139 F149 I188 V189 F192 M198	T131-L135 HydrophobicContact CG2-CD1 4.31Å; T131-L135 WeakPolarHBondContact O-CG 3.47Å; T131-L135 PolarHBondContact O-N 2.89Å; T131-L135 VanDerWaalsContact O-N 3.16Å; L132-L135 PolarHBondContact O-N 3.29Å; L132-L135 VanDerWaalsContact O-N 3.15Å; L135-A137 VanDerWaalsContact C-N 3.32Å; L135-A137 PolarHBondContact O-N 3.26Å; L135-I138 WeakPolarHBondContact O-CB 3.39Å; L135-I138 PolarHBondContact O-N 3.34Å; L135-K139 PolarHBondContact O-N 3.38Å; L135-F149 HydrophobicContact CD2-CD1 3.89Å; L135-F149 HydrophobicContact CD2-CD2 4.27Å; L135-F149 HydrophobicContact CD2-CE1 3.92Å; L135-F149 HydrophobicContact CD2-CE2 4.31Å; L135-F149 HydrophobicContact CD2-CG 4.06Å; L135-F149 HydrophobicContact CD2-CZ 4.14Å; L135-F149 HydrophobicContact CG-CE1 4.45Å; L135-F149 HydrophobicContact CG-CZ 4.4Å; L135-I188 HydrophobicContact CD1-CG1 4.41Å; L135-I188 HydrophobicContact CD1-CG2 4.16Å; L135-V189 HydrophobicContact CD1-CG2 3.98Å; L135-F192 HydrophobicContact CB-CD1 3.79Å; L135-F192 HydrophobicContact CB-CD2 4.27Å; L135-F192 HydrophobicContact CB-CE1 3.65Å; L135-F192 HydrophobicContact CB-CE2 4.14Å; L135-F192 HydrophobicContact CB-CG 4.09Å; L135-F192 HydrophobicContact CB-CZ 3.83Å; L135-F192 HydrophobicContact CD1-CB 4.28Å; L135-F192 HydrophobicContact CD1-CD2 3.88Å; L135-F192 HydrophobicContact CD1-CE2 4.3Å; L135-F192 HydrophobicContact CD1-CG 3.97Å; L135-F192 HydrophobicContact CD2-CB 4.41Å; L135-F192 HydrophobicContact CD2-CD1 4.4Å; L135-F192 HydrophobicContact CD2-CG 4.4Å; L135-F192 HydrophobicContact CG-CD1 4.46Å; L135-F192 HydrophobicContact CG-CG 4.39Å; L135-M198 HydrophobicContact CD2-CE 3.86Å; L135-M198 HydrophobicContact CD2-SD 4.04Å
136	D	98.8	Very high	98.5	Very high	66 Å²	66	34.1 Å²	34.1	35%	0.353	21%	0.212	S	C	.	.	H	α-helix	trans	-62.9	-37.7	174.3	-86.1	-27.2	0	0	0	112.1	L132 K139 T140	L132-D136 WeakPolarHBondContact CD1-OD2 3.45Å; L132-D136 PolarHBondContact O-N 3.09Å; D136-K139 PolarHBondContact O-N 3.21Å; D136-T140 VanDerWaalsContact O-CB 3.26Å; D136-T140 WeakPolarHBondContact O-CB 3.49Å; D136-T140 PolarHBondContact O-N 3.16Å; D136-T140 PolarHBondContact O-OG1 3.46Å
137	A	98.9	Very high	98.5	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.017	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-39.5	175.9	0	0	0	0	0	112.3	L92 V93 I96 R133 L134 L135 T140 C141	L92-A137 HydrophobicContact CB-CB 4.35Å; V93-A137 HydrophobicContact CG2-CB 3.71Å; I96-A137 HydrophobicContact CD1-CB 3.65Å; R133-A137 VanDerWaalsContact O-CB 3.27Å; R133-A137 WeakPolarHBondContact O-CB 3.4Å; R133-A137 PolarHBondContact O-N 3.16Å; L134-A137 PolarHBondContact O-N 3.35Å; L135-A137 VanDerWaalsContact C-N 3.32Å; L135-A137 PolarHBondContact O-N 3.26Å; A137-T140 PolarHBondContact O-N 3.15Å; A137-C141 WeakPolarHBondContact O-CB 3.22Å; A137-C141 PolarHBondContact O-N 3.24Å; A137-C141 PolarHBondContact O-SG 2.99Å
138	I	98.8	Very high	98.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-48.2	173.2	-65.5	162.1	0	0	0	110.3	I96 I104 L134 L135 C141 G142 L143 V147 F149 M198	I96-I138 HydrophobicContact CD1-CG1 4.21Å; I104-I138 HydrophobicContact CD1-CD1 3.73Å; I104-I138 HydrophobicContact CD1-CG1 3.74Å; L134-I138 WeakPolarHBondContact O-CG1 3.36Å; L134-I138 PolarHBondContact O-N 3.13Å; L135-I138 WeakPolarHBondContact O-CB 3.39Å; L135-I138 PolarHBondContact O-N 3.34Å; I138-C141 PolarHBondContact O-N 3.02Å; I138-G142 PolarHBondContact O-N 3.13Å; I138-L143 HydrophobicContact CG2-CB 3.99Å; I138-L143 PolarHBondContact O-N 2.93Å; I138-V147 HydrophobicContact CD1-CG1 4.2Å; I138-V147 HydrophobicContact CG2-CB 4.26Å; I138-V147 HydrophobicContact CG2-CG1 4.4Å; I138-F149 HydrophobicContact CD1-CD2 3.66Å; I138-F149 HydrophobicContact CD1-CE2 4.23Å; I138-F149 HydrophobicContact CD1-CG 4.45Å; I138-M198 HydrophobicContact CB-CE 4.47Å; I138-M198 HydrophobicContact CD1-CE 3.54Å; I138-M198 HydrophobicContact CG2-CE 3.97Å; I138-M198 HydrophobicContact CG2-SD 4.4Å
139	K	98.6	Very high	98.5	Very high	84 Å²	84	36.2 Å²	36.2	37%	0.365	22%	0.221	S	C	.	.	H	α-helix	trans	-62.1	-45.3	177.9	-174.2	179.2	177.7	-175.4	0	112.2	L135 D136 C141 G142 F192 Y196	L135-K139 PolarHBondContact O-N 3.38Å; D136-K139 PolarHBondContact O-N 3.21Å; K139-C141 VanDerWaalsContact C-N 3.26Å; K139-C141 PolarHBondContact O-N 3.03Å; K139-G142 PolarHBondContact O-N 3.34Å; K139-F192 HydrophobicContact CD-CE1 4.28Å; K139-Y196 HydrophobicContact CD-CE2 4.45Å; K139-Y196 PolarHBondContact NZ-OH 2.86Å
140	T	98.7	Very high	98.5	Very high	102 Å²	102	33.7 Å²	33.7	63%	0.626	21%	0.205	S	C	*	.	H	α-helix	trans	-60.5	-36.1	177.2	-59.8	0	0	0	0	111.8	V93 D136 A137 G142	V93-T140 HydrophobicContact CG1-CG2 4.39Å; D136-T140 VanDerWaalsContact O-CB 3.26Å; D136-T140 WeakPolarHBondContact O-CB 3.49Å; D136-T140 PolarHBondContact O-N 3.16Å; D136-T140 PolarHBondContact O-OG1 3.46Å; A137-T140 PolarHBondContact O-N 3.15Å; T140-G142 PolarHBondContact O-N 3.45Å
141	C	98.6	Very high	98.5	Very high	19 Å²	19	33.7 Å²	33.7	13%	0.128	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-0.9	176.8	-65.8	0	0	0	0	114	I96 A137 I138 K139 L143	I96-C141 HydrophobicContact CG2-CB 4.15Å; A137-C141 WeakPolarHBondContact O-CB 3.22Å; A137-C141 PolarHBondContact O-N 3.24Å; A137-C141 PolarHBondContact O-SG 2.99Å; I138-C141 PolarHBondContact O-N 3.02Å; K139-C141 VanDerWaalsContact C-N 3.26Å; K139-C141 PolarHBondContact O-N 3.03Å; C141-L143 VanDerWaalsContact C-N 3.35Å; C141-L143 HydrophobicContact CB-CD1 3.99Å; C141-L143 HydrophobicContact CB-CG 3.93Å
142	G	98.4	Very high	98.5	Very high	58 Å²	58	34.5 Å²	34.5	60%	0.598	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.1	28.6	-177.7	0	0	0	0	0	113.8	I138 K139 T140	I138-G142 PolarHBondContact O-N 3.13Å; K139-G142 PolarHBondContact O-N 3.34Å; T140-G142 PolarHBondContact O-N 3.45Å
143	L	98.4	Very high	98.5	Very high	19 Å²	19	33 Å²	33	10%	0.099	20%	0.204	C	C	.	.			trans	-104.6	2.4	-171.8	-63.5	-178.7	0	0	0	114.8	I96 K100 I138 C141 S145 S146 V147	I96-L143 HydrophobicContact CG2-CD1 3.83Å; K100-L143 HydrophobicContact CD-CD1 4Å; K100-L143 HydrophobicContact CD-CD2 4.17Å; I138-L143 HydrophobicContact CG2-CB 3.99Å; I138-L143 PolarHBondContact O-N 2.93Å; C141-L143 VanDerWaalsContact C-N 3.35Å; C141-L143 HydrophobicContact CB-CD1 3.99Å; C141-L143 HydrophobicContact CB-CG 3.93Å; L143-S145 PolarHBondContact O-N 3.15Å; L143-S145 VanDerWaalsContact O-N 3.09Å; L143-S146 PolarHBondContact O-N 3Å; L143-S146 PolarHBondContact O-OG 3.37Å; L143-V147 HydrophobicContact CB-CG2 3.87Å; L143-V147 HydrophobicContact CD1-CG2 4.18Å; L143-V147 PolarHBondContact O-N 2.89Å
144	T	97.7	Very high	98.5	Very high	27 Å²	27	31.5 Å²	31.5	17%	0.166	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-38	-174.6	-51.2	0	0	0	0	114.1	M198	T144-M198 HydrophobicContact CG2-CB 3.8Å; T144-M198 HydrophobicContact CG2-CG 4.02Å; T144-M198 HydrophobicContact CG2-SD 4.36Å
145	S	97	Very high	98.5	Very high	122 Å²	122	31.5 Å²	31.5	85%	0.853	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-0.4	-178.9	55.2	0	0	0	0	114.8	L143	L143-S145 PolarHBondContact O-N 3.15Å; L143-S145 VanDerWaalsContact O-N 3.09Å
146	S	96.9	Very high	98.5	Very high	68 Å²	68	32 Å²	32	48%	0.476	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-20.4	-171.3	64.9	0	0	0	0	114.6	L143	L143-S146 PolarHBondContact O-N 3Å; L143-S146 PolarHBondContact O-OG 3.37Å
147	V	98.4	Very high	98.5	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.012	19%	0.186	C	C	.	.			trans	-100.8	136.7	179.9	162.2	0	0	0	0	110.1	P101 I104 I138 L143	P101-V147 HydrophobicContact CG-CG2 4.18Å; P101-V147 WeakPolarHBondContact O-CG2 3.35Å; I104-V147 HydrophobicContact CB-CG1 4.45Å; I104-V147 HydrophobicContact CD1-CG1 3.92Å; I104-V147 HydrophobicContact CG1-CG1 3.91Å; I138-V147 HydrophobicContact CD1-CG1 4.2Å; I138-V147 HydrophobicContact CG2-CB 4.26Å; I138-V147 HydrophobicContact CG2-CG1 4.4Å; L143-V147 HydrophobicContact CB-CG2 3.87Å; L143-V147 HydrophobicContact CD1-CG2 4.18Å; L143-V147 PolarHBondContact O-N 2.89Å
148	K	98.9	Very high	98.5	Very high	53 Å²	53	28.8 Å²	28.8	23%	0.23	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133.1	164.5	-58.4	-165.8	173.6	-161	0	110.4	T102 E103 I104 F199 L262 S264	T102-K148 PolarHBondContact O-N 3.35Å; E103-K148 CarbonylContact C-O 3.59Å; E103-K148 WeakPolarHBondContact CA-O 3.5Å; E103-K148 HydrophobicContact CG-CB 4.48Å; I104-K148 PolarHBondContact N-O 2.92Å; K148-F199 CarbonylContact C-O 3.49Å; K148-F199 WeakPolarHBondContact CA-O 3.27Å; K148-F199 HydrophobicContact CB-CB 4.42Å; K148-F199 HydrophobicContact CB-CD1 3.72Å; K148-F199 HydrophobicContact CB-CE1 4.36Å; K148-F199 HydrophobicContact CB-CG 4.21Å; K148-F199 HydrophobicContact CD-CD1 3.74Å; K148-F199 HydrophobicContact CD-CD2 4.17Å; K148-F199 HydrophobicContact CD-CE1 3.86Å; K148-F199 HydrophobicContact CD-CE2 4.25Å; K148-F199 HydrophobicContact CD-CG 3.93Å; K148-F199 HydrophobicContact CD-CZ 4.11Å; K148-F199 HydrophobicContact CG-CB 4Å; K148-F199 HydrophobicContact CG-CD1 3.7Å; K148-F199 HydrophobicContact CG-CD2 4.38Å; K148-F199 HydrophobicContact CG-CE1 4.33Å; K148-F199 HydrophobicContact CG-CG 3.75Å; K148-L262 HydrophobicContact CB-CB 4.43Å; K148-L262 HydrophobicContact CB-CD1 4.27Å; K148-L262 HydrophobicContact CB-CD2 4.14Å; K148-L262 HydrophobicContact CD-CB 4.34Å; K148-L262 WeakPolarHBondContact CD-O 3.43Å; K148-L262 WeakPolarHBondContact CE-O 3.46Å; K148-L262 PolarHBondContact NZ-O 3.11Å; K148-S264 PolarHBondContact NZ-O 3.03Å; K148-S264 VanDerWaalsContact NZ-O 3.15Å
149	F	98.9	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.5	-175.2	-175.9	-92.3	0	0	0	111.8	I104 N106 T131 L134 L135 I138 Q151 V189 M198 F199 A200 V201	I104-F149 HydrophobicContact CB-CD2 3.96Å; I104-F149 HydrophobicContact CG2-CD2 3.83Å; I104-F149 HydrophobicContact CG2-CE2 3.9Å; I104-F149 WeakPolarHBondContact O-CA 3.35Å; N106-F149 HydrophobicContact CB-CE1 4.44Å; N106-F149 HydrophobicContact CB-CE2 4.05Å; N106-F149 HydrophobicContact CB-CZ 3.63Å; T131-F149 HydrophobicContact CG2-CZ 4.43Å; L134-F149 HydrophobicContact CB-CE2 4.16Å; L134-F149 HydrophobicContact CD1-CE2 4.36Å; L135-F149 HydrophobicContact CD2-CD1 3.89Å; L135-F149 HydrophobicContact CD2-CD2 4.27Å; L135-F149 HydrophobicContact CD2-CE1 3.92Å; L135-F149 HydrophobicContact CD2-CE2 4.31Å; L135-F149 HydrophobicContact CD2-CG 4.06Å; L135-F149 HydrophobicContact CD2-CZ 4.14Å; L135-F149 HydrophobicContact CG-CE1 4.45Å; L135-F149 HydrophobicContact CG-CZ 4.4Å; I138-F149 HydrophobicContact CD1-CD2 3.66Å; I138-F149 HydrophobicContact CD1-CE2 4.23Å; I138-F149 HydrophobicContact CD1-CG 4.45Å; F149-Q151 HydrophobicContact CE1-CB 4Å; F149-V189 HydrophobicContact CD1-CG2 4.43Å; F149-V189 HydrophobicContact CE1-CG2 3.87Å; F149-M198 HydrophobicContact CB-CE 3.47Å; F149-M198 VanDerWaalsContact CB-CE 3.47Å; F149-M198 HydrophobicContact CD2-CE 4.47Å; F149-M198 HydrophobicContact CG-CE 4.09Å; F149-F199 PolarHBondContact N-O 3.4Å; F149-A200 HydrophobicContact CB-CB 4.16Å; F149-A200 HydrophobicContact CD1-CB 4.33Å; F149-A200 CarbonylContact O-C 3.59Å; F149-A200 VanDerWaalsContact O-CA 3.31Å; F149-A200 WeakPolarHBondContact O-CA 3.48Å; F149-V201 PolarHBondContact O-N 3.48Å
150	Y	98.9	Very high	98.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.1	171.6	173.1	-87.9	0	0	0	110.1	I104 Y105 N106 L107 A152 V201 L205 M258 M261	I104-Y150 PolarHBondContact O-N 2.88Å; Y105-Y150 AromaticContact CD1-CD1 3.91Å; Y105-Y150 HydrophobicContact CD1-CD1 3.91Å; Y105-Y150 AromaticContact CD1-CG 3.87Å; Y105-Y150 HydrophobicContact CD1-CG 3.87Å; Y105-Y150 HydrophobicContact CE1-CG 4.4Å; N106-Y150 PolarHBondContact N-O 3.29Å; L107-Y150 HydrophobicContact CD2-CD1 3.9Å; L107-Y150 HydrophobicContact CD2-CE1 3.62Å; Y150-A152 HydrophobicContact CE1-CB 4.14Å; Y150-V201 HydrophobicContact CD2-CG2 3.96Å; Y150-L205 VanDerWaalsContact OH-CD1 3.31Å; Y150-L205 WeakPolarHBondContact OH-CD1 3.33Å; Y150-M258 HydrophobicContact CD1-CB 4.48Å; Y150-M258 HydrophobicContact CD2-CB 4.06Å; Y150-M258 HydrophobicContact CE1-CB 4.23Å; Y150-M258 HydrophobicContact CE1-CE 4.44Å; Y150-M258 HydrophobicContact CE1-CG 3.9Å; Y150-M258 HydrophobicContact CE1-SD 3.87Å; Y150-M258 HydrophobicContact CE2-CB 3.79Å; Y150-M258 HydrophobicContact CE2-CG 3.84Å; Y150-M258 HydrophobicContact CG-CB 4.41Å; Y150-M258 VanDerWaalsContact CZ-CG 3.48Å; Y150-M258 WeakPolarHBondContact OH-CG 3.48Å; Y150-M261 HydrophobicContact CD2-SD 4.2Å; Y150-M261 HydrophobicContact CE2-SD 3.77Å
151	Q	98.9	Very high	98.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.6	169.8	177.5	59.4	19.3	0	0	111	N106 T131 F149 S153 V189 V201 N202 G203	N106-Q151 PolarHBondContact ND2-OE1 3.02Å; T131-Q151 VanDerWaalsContact CG2-OE1 3.28Å; T131-Q151 PolarHBondContact OG1-NE2 3.44Å; F149-Q151 HydrophobicContact CE1-CB 4Å; Q151-S153 VanDerWaalsContact C-N 3.26Å; Q151-S153 PolarHBondContact O-N 3.02Å; Q151-V189 HydrophobicContact CB-CG1 4.36Å; Q151-V189 HydrophobicContact CB-CG2 3.85Å; Q151-V189 HydrophobicContact CG-CG2 4.01Å; Q151-V201 PolarHBondContact N-O 3.27Å; Q151-N202 WeakPolarHBondContact CB-OD1 3.41Å; Q151-N202 WeakPolarHBondContact CG-OD1 3.27Å; Q151-G203 PolarHBondContact O-N 3.08Å; Q151-G203 VanDerWaalsContact O-N 3.11Å
152	A	98.8	Very high	98	Very high	17 Å²	17	31.2 Å²	31.2	14%	0.14	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	82.7	166.7	0	0	0	0	0	110.5	N106 L107 Y150 K182	N106-A152 VanDerWaalsContact O-CB 3.28Å; N106-A152 WeakPolarHBondContact O-CB 3.26Å; N106-A152 PolarHBondContact O-N 3.31Å; L107-A152 HydrophobicContact CD2-CB 3.88Å; Y150-A152 HydrophobicContact CE1-CB 4.14Å; A152-K182 PolarHBondContact O-NZ 3.32Å
153	S	98.8	Very high	98	Very high	8 Å²	8	32.1 Å²	32.1	6%	0.056	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-175.7	165.1	-82.5	0	0	0	0	110	Q151 N202 G203	Q151-S153 VanDerWaalsContact C-N 3.26Å; Q151-S153 PolarHBondContact O-N 3.02Å; S153-N202 PolarHBondContact OG-OD1 3.39Å; S153-G203 CarbonylContact C-O 3.54Å; S153-G203 VanDerWaalsContact CA-O 3.27Å; S153-G203 WeakPolarHBondContact CA-O 3.5Å; S153-G203 VanDerWaalsContact CB-O 3.24Å; S153-G203 WeakPolarHBondContact CB-O 3.35Å; S153-G203 PolarHBondContact N-O 2.87Å; S153-G203 VanDerWaalsContact N-O 3.12Å
154	T	98.9	Very high	98	Very high	14 Å²	14	36.4 Å²	36.4	9%	0.086	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	150.4	-165.7	179.1	0	0	0	0	112.9	E156 L157 Y178 K182 L205	T154-E156 HydrophobicContact CG2-CB 3.88Å; T154-E156 PolarHBondContact O-N 3.45Å; T154-E156 PolarHBondContact OG1-N 3.17Å; T154-L157 HydrophobicContact CG2-CG 4.12Å; T154-L157 WeakPolarHBondContact O-CB 3.22Å; T154-L157 WeakPolarHBondContact O-CG 3.38Å; T154-L157 PolarHBondContact O-N 3.25Å; T154-Y178 HydrophobicContact CG2-CE1 3.89Å; T154-K182 HydrophobicContact CG2-CB 3.94Å; T154-K182 HydrophobicContact CG2-CG 3.99Å; T154-L205 WeakPolarHBondContact CA-O 3.18Å
155	S	98.6	Very high	98	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-60.6	-19.1	168.7	58.7	0	0	0	0	114.2	L157 Y158 L205	S155-L157 PolarHBondContact O-N 3.39Å; S155-L157 VanDerWaalsContact O-N 3.1Å; S155-Y158 WeakPolarHBondContact O-CB 3.45Å; S155-Y158 WeakPolarHBondContact O-CD2 3.21Å; S155-Y158 PolarHBondContact O-N 3.08Å; S155-L205 PolarHBondContact N-O 3.48Å
156	E	98.4	Very high	98.1	Very high	10 Å²	10	31.9 Å²	31.9	5%	0.047	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-63.2	-14	174.3	-71.4	-82.8	164.9	0	0	113	V113 T154 Y158 G159 Y178 R324	V113-E156 HydrophobicContact CG2-CG 4.26Å; T154-E156 HydrophobicContact CG2-CB 3.88Å; T154-E156 PolarHBondContact O-N 3.45Å; T154-E156 PolarHBondContact OG1-N 3.17Å; E156-Y158 PolarHBondContact O-N 3.15Å; E156-G159 PolarHBondContact O-N 3.17Å; E156-Y178 HydrophobicContact CB-CD1 4.16Å; E156-Y178 HydrophobicContact CB-CE1 3.92Å; E156-Y178 HydrophobicContact CG-CD1 4.3Å; E156-Y178 HydrophobicContact CG-CE1 3.99Å; E156-R324 IonicContact OE1-NH1 3.87Å
157	L	98.6	Very high	98.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-61.1	-30.8	168.5	-62.8	177.2	0	0	0	112	T154 S155 G159 F172 Y173 K182 L183 Y186	T154-L157 HydrophobicContact CG2-CG 4.12Å; T154-L157 WeakPolarHBondContact O-CB 3.22Å; T154-L157 WeakPolarHBondContact O-CG 3.38Å; T154-L157 PolarHBondContact O-N 3.25Å; S155-L157 PolarHBondContact O-N 3.39Å; S155-L157 VanDerWaalsContact O-N 3.1Å; L157-G159 VanDerWaalsContact C-N 3.32Å; L157-F172 HydrophobicContact CB-CD1 3.52Å; L157-F172 HydrophobicContact CB-CE1 3.83Å; L157-F172 HydrophobicContact CB-CG 4.03Å; L157-F172 HydrophobicContact CD1-CD1 4.44Å; L157-F172 HydrophobicContact CD1-CE1 4Å; L157-F172 HydrophobicContact CD1-CE2 4.42Å; L157-F172 HydrophobicContact CD1-CZ 4Å; L157-F172 CarbonylContact O-C 3.57Å; L157-F172 WeakPolarHBondContact O-CA 3.43Å; L157-F172 WeakPolarHBondContact O-CB 3.29Å; L157-Y173 CarbonylContact O-C 3.57Å; L157-Y173 PolarHBondContact O-N 2.79Å; L157-K182 HydrophobicContact CD2-CB 3.98Å; L157-L183 VanDerWaalsContact CD2-CA 3.47Å; L157-L183 HydrophobicContact CD2-CB 3.83Å; L157-L183 HydrophobicContact CD2-CD1 4.21Å; L157-L183 VanDerWaalsContact CD2-N 3.33Å; L157-Y186 HydrophobicContact CD1-CD2 3.93Å; L157-Y186 HydrophobicContact CD1-CG 4.29Å
158	Y	98.6	Very high	98.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-80.7	-10.1	179.7	-58.1	-61.2	0	0	0	113.9	S155 E156 K160 V161 Q166 K167 T170 F172 I204 F206 V271	S155-Y158 WeakPolarHBondContact O-CB 3.45Å; S155-Y158 WeakPolarHBondContact O-CD2 3.21Å; S155-Y158 PolarHBondContact O-N 3.08Å; E156-Y158 PolarHBondContact O-N 3.15Å; Y158-K160 CarbonylContact O-C 3.56Å; Y158-K160 PolarHBondContact O-N 3.3Å; Y158-V161 WeakPolarHBondContact O-CA 3.18Å; Y158-V161 PolarHBondContact O-N 3.4Å; Y158-V161 VanDerWaalsContact O-N 3.08Å; Y158-Q166 HydrophobicContact CD1-CB 4.23Å; Y158-Q166 HydrophobicContact CD1-CG 4.22Å; Y158-Q166 HydrophobicContact CD2-CB 3.85Å; Y158-Q166 HydrophobicContact CD2-CG 3.99Å; Y158-Q166 HydrophobicContact CE1-CB 4.24Å; Y158-Q166 HydrophobicContact CE2-CB 3.88Å; Y158-Q166 HydrophobicContact CG-CB 4.04Å; Y158-Q166 HydrophobicContact CG-CG 3.83Å; Y158-K167 PolarHBondContact OH-O 2.92Å; Y158-T170 HydrophobicContact CD1-CG2 4.02Å; Y158-T170 HydrophobicContact CE1-CG2 4.15Å; Y158-T170 WeakPolarHBondContact CE1-O 3.4Å; Y158-F172 AromaticContact CD1-CD1 3.69Å; Y158-F172 HydrophobicContact CD1-CD1 3.69Å; Y158-F172 HydrophobicContact CD1-CE1 4.01Å; Y158-F172 AromaticContact CE1-CD1 3.59Å; Y158-F172 HydrophobicContact CE1-CD1 3.59Å; Y158-F172 AromaticContact CE1-CE1 3.44Å; Y158-F172 HydrophobicContact CE1-CE1 3.44Å; Y158-F172 VanDerWaalsContact CE1-CE1 3.44Å; Y158-F172 AromaticContact CZ-CE1 3.85Å; Y158-I204 HydrophobicContact CE2-CG2 3.68Å; Y158-F206 HydrophobicContact CD2-CE2 4.45Å; Y158-F206 HydrophobicContact CD2-CZ 4.02Å; Y158-F206 HydrophobicContact CE2-CE2 4.01Å; Y158-F206 AromaticContact CE2-CZ 3.98Å; Y158-F206 HydrophobicContact CE2-CZ 3.98Å; Y158-V271 WeakPolarHBondContact OH-CG2 3.45Å
159	G	96	Very high	98.2	Very high	4 Å²	4	36.8 Å²	36.8	4%	0.041	19%	0.191	C	C	.	.	S	Bend	trans	9.4	-88	-178.8	0	0	0	0	0	116.6	E156 L157 V161 Y173	E156-G159 PolarHBondContact O-N 3.17Å; L157-G159 VanDerWaalsContact C-N 3.32Å; G159-V161 PolarHBondContact O-N 2.9Å; G159-V161 VanDerWaalsContact O-N 3.14Å; G159-Y173 CarbonylContact C-O 3.54Å; G159-Y173 WeakPolarHBondContact CA-O 3.43Å; G159-Y173 PolarHBondContact N-O 3.46Å
160	K	96.1	Very high	98.1	Very high	116 Å²	116	37 Å²	37	50%	0.504	19%	0.192	S	C	.	.	S	Bend	trans	-80.1	91	168.9	-173.1	-178.7	-178	-178.7	0	109.1	Y158 Q162 Y173 R175	Y158-K160 CarbonylContact O-C 3.56Å; Y158-K160 PolarHBondContact O-N 3.3Å; K160-Q162 PolarHBondContact O-N 3.31Å; K160-Q162 PolarHBondContact O-NE2 2.95Å; K160-Y173 HydrophobicContact CB-CD1 3.83Å; K160-Y173 HydrophobicContact CB-CD2 4.25Å; K160-Y173 HydrophobicContact CB-CE1 4.3Å; K160-Y173 HydrophobicContact CB-CG 3.81Å; K160-Y173 HydrophobicContact CD-CD2 4.48Å; K160-Y173 HydrophobicContact CD-CE2 4.25Å; K160-Y173 PolarHBondContact N-O 3.01Å; K160-Y173 WeakPolarHBondContact O-CB 3.35Å; K160-R175 HydrophobicContact CB-CG 4.14Å
161	V	95	Very high	98.1	Very high	36 Å²	36	40.4 Å²	40.4	22%	0.218	22%	0.215	C	C	.	.			trans	-51.1	132.3	-174	171.8	0	0	0	0	112.6	Y158 G159 E163 I164 Q166 F330 L331	Y158-V161 WeakPolarHBondContact O-CA 3.18Å; Y158-V161 PolarHBondContact O-N 3.4Å; Y158-V161 VanDerWaalsContact O-N 3.08Å; G159-V161 PolarHBondContact O-N 2.9Å; G159-V161 VanDerWaalsContact O-N 3.14Å; V161-E163 WeakPolarHBondContact CG1-O 3.37Å; V161-I164 HydrophobicContact CG1-CD1 4.42Å; V161-I164 HydrophobicContact CG1-CG1 3.69Å; V161-Q166 HydrophobicContact CG1-CG 4.08Å; V161-Q166 HydrophobicContact CG2-CG 4.33Å; V161-F330 WeakPolarHBondContact CG2-O 3.33Å; V161-L331 HydrophobicContact CG2-CD2 4.13Å
162	Q	97.8	Very high	98.1	Very high	101 Å²	101	42.4 Å²	42.4	47%	0.472	22%	0.224	S	C	.	.	S	Bend	trans	-100.1	-27.2	177.7	-59.1	-59.4	-68.5	0	0	112.8	K160 T170 P171	K160-Q162 PolarHBondContact O-N 3.31Å; K160-Q162 PolarHBondContact O-NE2 2.95Å; Q162-T170 HydrophobicContact CB-CG2 4.38Å; Q162-P171 HydrophobicContact CG-CB 4.27Å
163	E	97.9	Very high	98.1	Very high	77 Å²	77	46.8 Å²	46.8	36%	0.36	24%	0.237	S	C	.	.	S	Bend	trans	-141.9	147.5	-178.7	-59.9	173.8	179.6	0	0	110.3	V161 Q166 T170	V161-E163 WeakPolarHBondContact CG1-O 3.37Å; E163-Q166 WeakPolarHBondContact O-CG 3.47Å; E163-Q166 PolarHBondContact O-NE2 3.26Å; E163-T170 HydrophobicContact CB-CG2 3.73Å; E163-T170 HydrophobicContact CG-CG2 3.98Å; E163-T170 PolarHBondContact OE2-OG1 2.71Å
164	I	97.7	Very high	98.1	Very high	109 Å²	109	48 Å²	48	56%	0.559	25%	0.245	S	C	*	.	S	Bend	trans	-129.7	127.6	176.7	-63.2	172.1	0	0	0	109.3	V161 F330	V161-I164 HydrophobicContact CG1-CD1 4.42Å; V161-I164 HydrophobicContact CG1-CG1 3.69Å; I164-F330 HydrophobicContact CD1-CD1 3.88Å; I164-F330 HydrophobicContact CD1-CE1 3.95Å; I164-F330 HydrophobicContact CG1-CD1 4.19Å; I164-F330 HydrophobicContact CG1-CE1 4.11Å; I164-F330 HydrophobicContact CG2-CE1 3.71Å; I164-F330 HydrophobicContact CG2-CZ 4.28Å
165	P	98.3	Very high	98	Very high	54 Å²	54	51.6 Å²	51.6	35%	0.351	26%	0.257	S	S	.	.	S	Bend	cis	-65.1	160.8	-13	30.7	-36.5	0	0	0	111.9	Q332 D334	P165-Q332 CarbonylContact C-O 3.54Å; P165-Q332 WeakPolarHBondContact CA-O 3.33Å; P165-Q332 HydrophobicContact CB-CG 4.23Å; P165-Q332 WeakPolarHBondContact CB-O 3.12Å; P165-D334 HydrophobicContact CB-CB 3.99Å; P165-D334 HydrophobicContact CG-CB 3.77Å
166	Q	98.8	Very high	98	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-83.1	137.7	176	-56.7	76.4	70.8	0	0	110.1	Y158 V161 E163 T170 F206 Q332 D334	Y158-Q166 HydrophobicContact CD1-CB 4.23Å; Y158-Q166 HydrophobicContact CD1-CG 4.22Å; Y158-Q166 HydrophobicContact CD2-CB 3.85Å; Y158-Q166 HydrophobicContact CD2-CG 3.99Å; Y158-Q166 HydrophobicContact CE1-CB 4.24Å; Y158-Q166 HydrophobicContact CE2-CB 3.88Å; Y158-Q166 HydrophobicContact CG-CB 4.04Å; Y158-Q166 HydrophobicContact CG-CG 3.83Å; V161-Q166 HydrophobicContact CG1-CG 4.08Å; V161-Q166 HydrophobicContact CG2-CG 4.33Å; E163-Q166 WeakPolarHBondContact O-CG 3.47Å; E163-Q166 PolarHBondContact O-NE2 3.26Å; Q166-T170 HydrophobicContact CB-CG2 4.28Å; Q166-T170 HydrophobicContact CG-CG2 4.23Å; Q166-F206 HydrophobicContact CB-CZ 4.08Å; Q166-Q332 PolarHBondContact N-O 2.83Å; Q166-Q332 PolarHBondContact OE1-O 3.44Å; Q166-D334 PolarHBondContact O-N 2.93Å
167	K	98.8	Very high	98.1	Very high	88 Å²	88	53.3 Å²	53.3	38%	0.383	27%	0.269	S	S	.	.			trans	-131.8	-178.5	177	61.5	-173.5	175.9	-173.5	0	110.7	Y158 T169 T170 D334	Y158-K167 PolarHBondContact OH-O 2.92Å; K167-T169 VanDerWaalsContact CE-OG1 3.25Å; K167-T169 WeakPolarHBondContact CE-OG1 3.24Å; K167-T169 PolarHBondContact O-N 2.75Å; K167-T169 VanDerWaalsContact O-N 3.1Å; K167-T170 PolarHBondContact N-OG1 3.14Å; K167-T170 WeakPolarHBondContact O-CB 3.42Å; K167-T170 PolarHBondContact O-N 3.03Å; K167-T170 PolarHBondContact O-OG1 2.83Å; K167-D334 HydrophobicContact CB-CB 4.24Å
168	E	98.8	Very high	98.1	Very high	35 Å²	35	54.3 Å²	54.3	16%	0.164	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-29	-175.6	-63.7	79.5	-178	0	0	113.5	D269 V271 K337	E168-D269 WeakPolarHBondContact CG-O 3.44Å; E168-V271 HydrophobicContact CG-CG2 4.2Å; E168-V271 PolarHBondContact OE1-N 3.36Å; E168-K337 VanDerWaalsContact CD-CD 3.46Å; E168-K337 HydrophobicContact CG-CD 3.88Å; E168-K337 WeakPolarHBondContact OE1-CB 3.28Å; E168-K337 WeakPolarHBondContact OE1-CD 3.2Å
169	T	98.6	Very high	98.1	Very high	103 Å²	103	54.3 Å²	54.3	63%	0.632	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-8.6	-179.9	63.5	0	0	0	0	113.9	K167	K167-T169 VanDerWaalsContact CE-OG1 3.25Å; K167-T169 WeakPolarHBondContact CE-OG1 3.24Å; K167-T169 PolarHBondContact O-N 2.75Å; K167-T169 VanDerWaalsContact O-N 3.1Å
170	T	98.7	Very high	98.2	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.018	29%	0.291	C	S	.	.	S	Bend	trans	-66.3	129.5	-178.6	-60.4	0	0	0	0	109.5	Y158 Q162 E163 Q166 K167	Y158-T170 HydrophobicContact CD1-CG2 4.02Å; Y158-T170 HydrophobicContact CE1-CG2 4.15Å; Y158-T170 WeakPolarHBondContact CE1-O 3.4Å; Q162-T170 HydrophobicContact CB-CG2 4.38Å; E163-T170 HydrophobicContact CB-CG2 3.73Å; E163-T170 HydrophobicContact CG-CG2 3.98Å; E163-T170 PolarHBondContact OE2-OG1 2.71Å; Q166-T170 HydrophobicContact CB-CG2 4.28Å; Q166-T170 HydrophobicContact CG-CG2 4.23Å; K167-T170 PolarHBondContact N-OG1 3.14Å; K167-T170 WeakPolarHBondContact O-CB 3.42Å; K167-T170 PolarHBondContact O-N 3.03Å; K167-T170 PolarHBondContact O-OG1 2.83Å
171	P	98.6	Very high	98.3	Very high	72 Å²	72	51.4 Å²	51.4	47%	0.468	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-62.5	139.7	-179.2	-23.4	33.2	0	0	0	113	Q162	Q162-P171 HydrophobicContact CG-CB 4.27Å
172	F	98.8	Very high	98.5	Very high	43 Å²	43	49.9 Å²	49.9	19%	0.189	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-77.3	144.6	177.4	-59	-43.7	0	0	0	112.5	L157 Y158 L183 Y186 I204	L157-F172 HydrophobicContact CB-CD1 3.52Å; L157-F172 HydrophobicContact CB-CE1 3.83Å; L157-F172 HydrophobicContact CB-CG 4.03Å; L157-F172 HydrophobicContact CD1-CD1 4.44Å; L157-F172 HydrophobicContact CD1-CE1 4Å; L157-F172 HydrophobicContact CD1-CE2 4.42Å; L157-F172 HydrophobicContact CD1-CZ 4Å; L157-F172 CarbonylContact O-C 3.57Å; L157-F172 WeakPolarHBondContact O-CA 3.43Å; L157-F172 WeakPolarHBondContact O-CB 3.29Å; Y158-F172 AromaticContact CD1-CD1 3.69Å; Y158-F172 HydrophobicContact CD1-CD1 3.69Å; Y158-F172 HydrophobicContact CD1-CE1 4.01Å; Y158-F172 AromaticContact CE1-CD1 3.59Å; Y158-F172 HydrophobicContact CE1-CD1 3.59Å; Y158-F172 AromaticContact CE1-CE1 3.44Å; Y158-F172 HydrophobicContact CE1-CE1 3.44Å; Y158-F172 VanDerWaalsContact CE1-CE1 3.44Å; Y158-F172 AromaticContact CZ-CE1 3.85Å; F172-L183 HydrophobicContact CB-CD1 3.93Å; F172-L183 HydrophobicContact CD2-CD1 3.46Å; F172-L183 VanDerWaalsContact CD2-CD1 3.46Å; F172-L183 HydrophobicContact CE2-CD1 4.27Å; F172-L183 HydrophobicContact CG-CD1 3.98Å; F172-Y186 AromaticContact CE2-CD1 3.78Å; F172-Y186 HydrophobicContact CE2-CD1 3.78Å; F172-Y186 HydrophobicContact CE2-CD2 4.27Å; F172-Y186 AromaticContact CE2-CE1 3.57Å; F172-Y186 HydrophobicContact CE2-CE1 3.57Å; F172-Y186 HydrophobicContact CE2-CE2 4.06Å; F172-Y186 HydrophobicContact CE2-CG 4.14Å; F172-Y186 AromaticContact CE2-CZ 3.72Å; F172-Y186 HydrophobicContact CZ-CD1 4.47Å; F172-Y186 HydrophobicContact CZ-CD2 4.2Å; F172-Y186 HydrophobicContact CZ-CE1 4.13Å; F172-Y186 AromaticContact CZ-CE2 3.8Å; F172-Y186 HydrophobicContact CZ-CE2 3.8Å; F172-Y186 AromaticContact CZ-CZ 3.77Å; F172-I204 HydrophobicContact CZ-CD1 4.34Å
173	Y	98.6	Very high	98.6	Very high	109 Å²	109	47 Å²	47	43%	0.427	25%	0.248	S	C	.	.			trans	-150.6	80.1	173.5	-160.1	-46.5	0	0	0	109.3	L157 G159 K160	L157-Y173 CarbonylContact O-C 3.57Å; L157-Y173 PolarHBondContact O-N 2.79Å; G159-Y173 CarbonylContact C-O 3.54Å; G159-Y173 WeakPolarHBondContact CA-O 3.43Å; G159-Y173 PolarHBondContact N-O 3.46Å; K160-Y173 HydrophobicContact CB-CD1 3.83Å; K160-Y173 HydrophobicContact CB-CD2 4.25Å; K160-Y173 HydrophobicContact CB-CE1 4.3Å; K160-Y173 HydrophobicContact CB-CG 3.81Å; K160-Y173 HydrophobicContact CD-CD2 4.48Å; K160-Y173 HydrophobicContact CD-CE2 4.25Å; K160-Y173 PolarHBondContact N-O 3.01Å; K160-Y173 WeakPolarHBondContact O-CB 3.35Å
174	P	98.2	Very high	98.6	Very high	34 Å²	34	48 Å²	48	22%	0.221	25%	0.25	C	C	.	.			trans	-65.9	147	-177.3	28.1	-35.9	0	0	0	112.2	G179 L183	P174-G179 VanDerWaalsContact CB-C 3.42Å; P174-L183 HydrophobicContact CG-CD2 3.81Å
175	R	98.1	Very high	98.7	Very high	89 Å²	89	42.9 Å²	42.9	34%	0.336	22%	0.223	S	C	.	.			trans	-123.8	22.7	-176.4	-69	-74.7	-75.3	170.6	-2	113.2	K160 T326 V328	K160-R175 HydrophobicContact CB-CG 4.14Å; R175-T326 WeakPolarHBondContact O-CB 3.38Å; R175-T326 PolarHBondContact O-OG1 3.36Å; R175-V328 HydrophobicContact CB-CG2 4.18Å
176	S	98.5	Very high	98.7	Very high	11 Å²	11	41.2 Å²	41.2	8%	0.077	21%	0.21	C	C	.	.	S	Bend	trans	-158.8	162.3	177.5	61.8	0	0	0	0	111.3	V113 Y178 G179 A180	V113-S176 WeakPolarHBondContact CG1-OG 3.49Å; S176-Y178 PolarHBondContact O-N 2.8Å; S176-G179 PolarHBondContact O-N 3.35Å; S176-G179 VanDerWaalsContact O-N 3.13Å; S176-G179 PolarHBondContact OG-N 3.25Å; S176-A180 PolarHBondContact O-N 3.33Å
177	P	98.8	Very high	98.7	Very high	36 Å²	36	47.9 Å²	47.9	23%	0.234	24%	0.235	C	C	.	.	H	α-helix	trans	-56.5	-37.8	170.1	-27	36.9	0	0	0	112.9	S116 F117 A120 A180 A181	S116-P177 WeakPolarHBondContact O-CB 2.98Å; S116-P177 WeakPolarHBondContact O-CG 3.42Å; F117-P177 HydrophobicContact CD1-CG 4.38Å; A120-P177 HydrophobicContact CB-CB 3.85Å; A120-P177 HydrophobicContact CB-CG 4.02Å; P177-A180 PolarHBondContact O-N 2.99Å; P177-A181 WeakPolarHBondContact O-CB 3.29Å; P177-A181 PolarHBondContact O-N 3.01Å
178	Y	98.8	Very high	98.7	Very high	20 Å²	20	45 Å²	45	8%	0.078	22%	0.224	C	C	.	.	H	α-helix	trans	-58.1	-51	170.9	172	-97.4	0	0	0	112.3	Q110 V113 S116 T123 D127 T154 E156 S176 A180 A181 K182	Q110-Y178 WeakPolarHBondContact O-CD2 3.35Å; V113-Y178 HydrophobicContact CG2-CD1 3.69Å; V113-Y178 HydrophobicContact CG2-CE1 4.19Å; V113-Y178 HydrophobicContact CG2-CG 4.16Å; S116-Y178 PolarHBondContact OG-N 2.96Å; T123-Y178 HydrophobicContact CG2-CD2 4.4Å; D127-Y178 VanDerWaalsContact OD2-CD2 3.27Å; D127-Y178 WeakPolarHBondContact OD2-CD2 3.28Å; D127-Y178 VanDerWaalsContact OD2-CE2 3.3Å; D127-Y178 WeakPolarHBondContact OD2-CE2 3.28Å; T154-Y178 HydrophobicContact CG2-CE1 3.89Å; E156-Y178 HydrophobicContact CB-CD1 4.16Å; E156-Y178 HydrophobicContact CB-CE1 3.92Å; E156-Y178 HydrophobicContact CG-CD1 4.3Å; E156-Y178 HydrophobicContact CG-CE1 3.99Å; S176-Y178 PolarHBondContact O-N 2.8Å; Y178-A180 VanDerWaalsContact C-N 3.31Å; Y178-A180 PolarHBondContact O-N 3.14Å; Y178-A181 PolarHBondContact O-N 3.21Å; Y178-K182 HydrophobicContact CD2-CG 4.3Å; Y178-K182 HydrophobicContact CE1-CG 4.12Å; Y178-K182 HydrophobicContact CE2-CD 4.42Å; Y178-K182 HydrophobicContact CE2-CG 3.82Å; Y178-K182 WeakPolarHBondContact O-CB 3.43Å; Y178-K182 PolarHBondContact O-N 3.02Å
179	G	98.6	Very high	98.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-39.7	179	0	0	0	0	0	112.5	P174 S176 L183	P174-G179 VanDerWaalsContact CB-C 3.42Å; S176-G179 PolarHBondContact O-N 3.35Å; S176-G179 VanDerWaalsContact O-N 3.13Å; S176-G179 PolarHBondContact OG-N 3.25Å; G179-L183 WeakPolarHBondContact O-CB 3.49Å; G179-L183 PolarHBondContact O-N 3.2Å
180	A	98.9	Very high	98.8	Very high	52 Å²	52	38.7 Å²	38.7	43%	0.43	19%	0.188	S	C	.	.	H	α-helix	trans	-66.9	-43.3	176.3	0	0	0	0	0	112.5	S176 P177 Y178 L183 Y184	S176-A180 PolarHBondContact O-N 3.33Å; P177-A180 PolarHBondContact O-N 2.99Å; Y178-A180 VanDerWaalsContact C-N 3.31Å; Y178-A180 PolarHBondContact O-N 3.14Å; A180-L183 WeakPolarHBondContact O-CB 3.42Å; A180-L183 PolarHBondContact O-N 3.37Å; A180-Y184 PolarHBondContact O-N 3.12Å; A180-Y184 VanDerWaalsContact O-N 3.08Å
181	A	98.9	Very high	98.8	Very high	8 Å²	8	42.3 Å²	42.3	7%	0.066	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-42.5	176.5	0	0	0	0	0	112	T123 D127 P177 Y178 L183 Y184 A185	T123-A181 HydrophobicContact CG2-CB 4.47Å; D127-A181 HydrophobicContact CB-CB 3.99Å; P177-A181 WeakPolarHBondContact O-CB 3.29Å; P177-A181 PolarHBondContact O-N 3.01Å; Y178-A181 PolarHBondContact O-N 3.21Å; A181-L183 VanDerWaalsContact C-N 3.31Å; A181-L183 PolarHBondContact O-N 3.09Å; A181-Y184 WeakPolarHBondContact O-CB 3.32Å; A181-Y184 PolarHBondContact O-N 3.33Å; A181-A185 PolarHBondContact O-N 2.95Å
182	K	98.9	Very high	98.8	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-66.8	-31.6	174.3	-74.1	-68.2	-172.9	175	0	112.7	A152 T154 L157 Y178 A185 Y186	A152-K182 PolarHBondContact O-NZ 3.32Å; T154-K182 HydrophobicContact CG2-CB 3.94Å; T154-K182 HydrophobicContact CG2-CG 3.99Å; L157-K182 HydrophobicContact CD2-CB 3.98Å; Y178-K182 HydrophobicContact CD2-CG 4.3Å; Y178-K182 HydrophobicContact CE1-CG 4.12Å; Y178-K182 HydrophobicContact CE2-CD 4.42Å; Y178-K182 HydrophobicContact CE2-CG 3.82Å; Y178-K182 WeakPolarHBondContact O-CB 3.43Å; Y178-K182 PolarHBondContact O-N 3.02Å; K182-A185 WeakPolarHBondContact O-CB 3.47Å; K182-A185 PolarHBondContact O-N 2.91Å; K182-Y186 WeakPolarHBondContact O-CB 3.41Å; K182-Y186 PolarHBondContact O-N 2.8Å
183	L	98.9	Very high	98.8	Very high	39 Å²	39	38.8 Å²	38.8	20%	0.204	18%	0.183	C	C	.	.	H	α-helix	trans	-65.6	-41.2	173.7	-177.5	63.5	0	0	0	111.4	L157 F172 P174 G179 A180 A181 Y186 W187	L157-L183 VanDerWaalsContact CD2-CA 3.47Å; L157-L183 HydrophobicContact CD2-CB 3.83Å; L157-L183 HydrophobicContact CD2-CD1 4.21Å; L157-L183 VanDerWaalsContact CD2-N 3.33Å; F172-L183 HydrophobicContact CB-CD1 3.93Å; F172-L183 HydrophobicContact CD2-CD1 3.46Å; F172-L183 VanDerWaalsContact CD2-CD1 3.46Å; F172-L183 HydrophobicContact CE2-CD1 4.27Å; F172-L183 HydrophobicContact CG-CD1 3.98Å; P174-L183 HydrophobicContact CG-CD2 3.81Å; G179-L183 WeakPolarHBondContact O-CB 3.49Å; G179-L183 PolarHBondContact O-N 3.2Å; A180-L183 WeakPolarHBondContact O-CB 3.42Å; A180-L183 PolarHBondContact O-N 3.37Å; A181-L183 VanDerWaalsContact C-N 3.31Å; A181-L183 PolarHBondContact O-N 3.09Å; L183-Y186 PolarHBondContact O-N 2.81Å; L183-W187 VanDerWaalsContact O-CD1 3.26Å; L183-W187 PolarHBondContact O-N 3.07Å; L183-W187 VanDerWaalsContact O-N 3.16Å
184	Y	98.9	Very high	98.8	Very high	100 Å²	100	40.1 Å²	40.1	39%	0.392	19%	0.193	S	C	.	.	H	α-helix	trans	-59	-48	170.9	173.3	-87.1	0	0	0	111.4	G128 L132 A180 A181 Y186 W187 I188	G128-Y184 WeakPolarHBondContact O-CE1 3.49Å; L132-Y184 HydrophobicContact CB-CE1 4.37Å; L132-Y184 WeakPolarHBondContact CD2-OH 3.2Å; A180-Y184 PolarHBondContact O-N 3.12Å; A180-Y184 VanDerWaalsContact O-N 3.08Å; A181-Y184 WeakPolarHBondContact O-CB 3.32Å; A181-Y184 PolarHBondContact O-N 3.33Å; Y184-Y186 VanDerWaalsContact C-N 3.31Å; Y184-Y186 PolarHBondContact O-N 2.9Å; Y184-W187 PolarHBondContact O-N 2.9Å; Y184-I188 HydrophobicContact CD1-CG2 4.42Å; Y184-I188 HydrophobicContact CE1-CB 4.33Å; Y184-I188 HydrophobicContact CE1-CG2 4.13Å; Y184-I188 WeakPolarHBondContact O-CG2 3.31Å; Y184-I188 PolarHBondContact O-N 2.85Å
185	A	98.9	Very high	98.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.8	-40.4	179.3	0	0	0	0	0	112.6	D127 T131 A181 K182 I188 V189	D127-A185 WeakPolarHBondContact O-CB 3.44Å; T131-A185 HydrophobicContact CG2-CB 4.1Å; T131-A185 WeakPolarHBondContact OG1-CB 3.47Å; A181-A185 PolarHBondContact O-N 2.95Å; K182-A185 WeakPolarHBondContact O-CB 3.47Å; K182-A185 PolarHBondContact O-N 2.91Å; A185-I188 WeakPolarHBondContact O-CG2 3.35Å; A185-V189 WeakPolarHBondContact O-CG2 3.49Å; A185-V189 PolarHBondContact O-N 3.41Å
186	Y	98.9	Very high	98.8	Very high	19 Å²	19	41.6 Å²	41.6	8%	0.075	21%	0.207	C	C	.	.	H	α-helix	trans	-57.2	-54.2	174.5	178	-83	0	0	0	110.9	L157 F172 K182 L183 Y184 V189 V190 N202 I204 D269	L157-Y186 HydrophobicContact CD1-CD2 3.93Å; L157-Y186 HydrophobicContact CD1-CG 4.29Å; F172-Y186 AromaticContact CE2-CD1 3.78Å; F172-Y186 HydrophobicContact CE2-CD1 3.78Å; F172-Y186 HydrophobicContact CE2-CD2 4.27Å; F172-Y186 AromaticContact CE2-CE1 3.57Å; F172-Y186 HydrophobicContact CE2-CE1 3.57Å; F172-Y186 HydrophobicContact CE2-CE2 4.06Å; F172-Y186 HydrophobicContact CE2-CG 4.14Å; F172-Y186 AromaticContact CE2-CZ 3.72Å; F172-Y186 HydrophobicContact CZ-CD1 4.47Å; F172-Y186 HydrophobicContact CZ-CD2 4.2Å; F172-Y186 HydrophobicContact CZ-CE1 4.13Å; F172-Y186 AromaticContact CZ-CE2 3.8Å; F172-Y186 HydrophobicContact CZ-CE2 3.8Å; F172-Y186 AromaticContact CZ-CZ 3.77Å; K182-Y186 WeakPolarHBondContact O-CB 3.41Å; K182-Y186 PolarHBondContact O-N 2.8Å; L183-Y186 PolarHBondContact O-N 2.81Å; Y184-Y186 VanDerWaalsContact C-N 3.31Å; Y184-Y186 PolarHBondContact O-N 2.9Å; Y186-V189 WeakPolarHBondContact O-CB 3.36Å; Y186-V189 PolarHBondContact O-N 2.77Å; Y186-V190 HydrophobicContact CD1-CG2 4.1Å; Y186-V190 HydrophobicContact CE1-CG2 3.7Å; Y186-V190 WeakPolarHBondContact O-CG2 3.31Å; Y186-V190 PolarHBondContact O-N 2.87Å; Y186-V190 VanDerWaalsContact O-N 3.11Å; Y186-N202 HydrophobicContact CD2-CB 3.71Å; Y186-N202 VanDerWaalsContact CD2-CG 3.41Å; Y186-N202 HydrophobicContact CE2-CB 3.69Å; Y186-N202 PolarHBondContact O-ND2 2.95Å; Y186-I204 HydrophobicContact CE2-CD1 4.01Å; Y186-I204 HydrophobicContact CE2-CG1 4.18Å; Y186-D269 PolarHBondContact OH-OD2 2.93Å
187	W	98.9	Very high	98.8	Very high	141 Å²	141	48.1 Å²	48.1	53%	0.534	24%	0.241	S	C	.	.	H	α-helix	trans	-71	-34.1	-174.1	-78.3	114.3	0	0	0	113.6	L183 Y184 V189 V190 N191	L183-W187 VanDerWaalsContact O-CD1 3.26Å; L183-W187 PolarHBondContact O-N 3.07Å; L183-W187 VanDerWaalsContact O-N 3.16Å; Y184-W187 PolarHBondContact O-N 2.9Å; W187-V189 VanDerWaalsContact C-N 3.28Å; W187-V189 PolarHBondContact O-N 3.39Å; W187-V190 HydrophobicContact CE3-CB 4.23Å; W187-V190 HydrophobicContact CE3-CG1 4.29Å; W187-V190 HydrophobicContact CE3-CG2 4.4Å; W187-V190 HydrophobicContact CZ3-CG1 4.28Å; W187-V190 PolarHBondContact O-N 3.24Å; W187-N191 WeakPolarHBondContact O-CB 3.39Å; W187-N191 PolarHBondContact O-N 3.3Å
188	I	98.9	Very high	98.8	Very high	26 Å²	26	46.4 Å²	46.4	13%	0.133	23%	0.23	C	C	.	.	H	α-helix	trans	-68	-32.7	176.2	-163.6	61.2	0	0	0	111.5	T131 L132 L135 Y184 A185 N191 F192	T131-I188 HydrophobicContact CG2-CG2 4.13Å; L132-I188 HydrophobicContact CB-CG1 4.37Å; L132-I188 HydrophobicContact CD1-CD1 4.18Å; L132-I188 HydrophobicContact CD1-CG1 3.91Å; L135-I188 HydrophobicContact CD1-CG1 4.41Å; L135-I188 HydrophobicContact CD1-CG2 4.16Å; Y184-I188 HydrophobicContact CD1-CG2 4.42Å; Y184-I188 HydrophobicContact CE1-CB 4.33Å; Y184-I188 HydrophobicContact CE1-CG2 4.13Å; Y184-I188 WeakPolarHBondContact O-CG2 3.31Å; Y184-I188 PolarHBondContact O-N 2.85Å; A185-I188 WeakPolarHBondContact O-CG2 3.35Å; I188-N191 PolarHBondContact O-N 3.33Å; I188-F192 HydrophobicContact CD1-CD2 4.26Å; I188-F192 HydrophobicContact CD1-CE2 4.12Å; I188-F192 HydrophobicContact CG1-CD2 4.19Å; I188-F192 HydrophobicContact CG1-CE2 4.15Å; I188-F192 WeakPolarHBondContact O-CD2 3.42Å; I188-F192 PolarHBondContact O-N 3.46Å
189	V	98.9	Very high	98.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.2	-46.2	173.2	168.7	0	0	0	0	111	T131 L135 F149 Q151 A185 Y186 W187 N191 F192 R193 A200	T131-V189 HydrophobicContact CG2-CG2 3.77Å; L135-V189 HydrophobicContact CD1-CG2 3.98Å; F149-V189 HydrophobicContact CD1-CG2 4.43Å; F149-V189 HydrophobicContact CE1-CG2 3.87Å; Q151-V189 HydrophobicContact CB-CG1 4.36Å; Q151-V189 HydrophobicContact CB-CG2 3.85Å; Q151-V189 HydrophobicContact CG-CG2 4.01Å; A185-V189 WeakPolarHBondContact O-CG2 3.49Å; A185-V189 PolarHBondContact O-N 3.41Å; Y186-V189 WeakPolarHBondContact O-CB 3.36Å; Y186-V189 PolarHBondContact O-N 2.77Å; W187-V189 VanDerWaalsContact C-N 3.28Å; W187-V189 PolarHBondContact O-N 3.39Å; V189-N191 VanDerWaalsContact C-N 3.31Å; V189-N191 PolarHBondContact O-N 3.01Å; V189-F192 PolarHBondContact O-N 3.02Å; V189-R193 PolarHBondContact O-N 3.25Å; V189-A200 HydrophobicContact CG1-CB 3.91Å
190	V	98.9	Very high	98.8	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-56.5	-47.2	174	175.2	0	0	0	0	110.5	Y186 W187 F192 R193 E194	Y186-V190 HydrophobicContact CD1-CG2 4.1Å; Y186-V190 HydrophobicContact CE1-CG2 3.7Å; Y186-V190 WeakPolarHBondContact O-CG2 3.31Å; Y186-V190 PolarHBondContact O-N 2.87Å; Y186-V190 VanDerWaalsContact O-N 3.11Å; W187-V190 HydrophobicContact CE3-CB 4.23Å; W187-V190 HydrophobicContact CE3-CG1 4.29Å; W187-V190 HydrophobicContact CE3-CG2 4.4Å; W187-V190 HydrophobicContact CZ3-CG1 4.28Å; W187-V190 PolarHBondContact O-N 3.24Å; V190-F192 VanDerWaalsContact C-N 3.35Å; V190-F192 PolarHBondContact O-N 3.17Å; V190-R193 WeakPolarHBondContact O-CB 3.38Å; V190-R193 PolarHBondContact O-N 3.03Å; V190-E194 HydrophobicContact CG1-CG 4.36Å; V190-E194 VanDerWaalsContact CG1-OE1 3.25Å; V190-E194 WeakPolarHBondContact CG1-OE1 3.42Å; V190-E194 WeakPolarHBondContact O-CG 3.39Å; V190-E194 PolarHBondContact O-N 3.38Å
191	N	98.9	Very high	98.8	Very high	78 Å²	78	44.4 Å²	44.4	42%	0.417	21%	0.212	S	C	.	.	H	α-helix	trans	-62	-39	179.7	-176.6	82	0	0	0	112.7	W187 I188 V189 E194 A195	W187-N191 WeakPolarHBondContact O-CB 3.39Å; W187-N191 PolarHBondContact O-N 3.3Å; I188-N191 PolarHBondContact O-N 3.33Å; V189-N191 VanDerWaalsContact C-N 3.31Å; V189-N191 PolarHBondContact O-N 3.01Å; N191-E194 PolarHBondContact O-N 3.42Å; N191-A195 WeakPolarHBondContact O-CB 3.49Å; N191-A195 PolarHBondContact O-N 3.44Å
192	F	98.8	Very high	98.8	Very high	6 Å²	6	44 Å²	44	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-68.6	-35.7	175.7	-93.5	-109.9	0	0	0	112.8	L132 L135 K139 I188 V189 V190 Y196 M198	L132-F192 HydrophobicContact CD1-CE2 3.91Å; L132-F192 HydrophobicContact CD1-CZ 4.18Å; L135-F192 HydrophobicContact CB-CD1 3.79Å; L135-F192 HydrophobicContact CB-CD2 4.27Å; L135-F192 HydrophobicContact CB-CE1 3.65Å; L135-F192 HydrophobicContact CB-CE2 4.14Å; L135-F192 HydrophobicContact CB-CG 4.09Å; L135-F192 HydrophobicContact CB-CZ 3.83Å; L135-F192 HydrophobicContact CD1-CB 4.28Å; L135-F192 HydrophobicContact CD1-CD2 3.88Å; L135-F192 HydrophobicContact CD1-CE2 4.3Å; L135-F192 HydrophobicContact CD1-CG 3.97Å; L135-F192 HydrophobicContact CD2-CB 4.41Å; L135-F192 HydrophobicContact CD2-CD1 4.4Å; L135-F192 HydrophobicContact CD2-CG 4.4Å; L135-F192 HydrophobicContact CG-CD1 4.46Å; L135-F192 HydrophobicContact CG-CG 4.39Å; K139-F192 HydrophobicContact CD-CE1 4.28Å; I188-F192 HydrophobicContact CD1-CD2 4.26Å; I188-F192 HydrophobicContact CD1-CE2 4.12Å; I188-F192 HydrophobicContact CG1-CD2 4.19Å; I188-F192 HydrophobicContact CG1-CE2 4.15Å; I188-F192 WeakPolarHBondContact O-CD2 3.42Å; I188-F192 PolarHBondContact O-N 3.46Å; V189-F192 PolarHBondContact O-N 3.02Å; V190-F192 VanDerWaalsContact C-N 3.35Å; V190-F192 PolarHBondContact O-N 3.17Å; F192-Y196 HydrophobicContact CB-CD2 4.34Å; F192-Y196 AromaticContact CD1-CD2 3.59Å; F192-Y196 HydrophobicContact CD1-CD2 3.59Å; F192-Y196 AromaticContact CD1-CE2 3.88Å; F192-Y196 HydrophobicContact CD1-CE2 3.88Å; F192-Y196 HydrophobicContact CD2-CE2 4.31Å; F192-Y196 HydrophobicContact CE1-CD2 4Å; F192-Y196 AromaticContact CE1-CE2 3.88Å; F192-Y196 HydrophobicContact CE1-CE2 3.88Å; F192-Y196 HydrophobicContact CE2-CE2 4.32Å; F192-Y196 AromaticContact CG-CD2 3.91Å; F192-Y196 HydrophobicContact CG-CD2 3.91Å; F192-Y196 HydrophobicContact CG-CE2 4.11Å; F192-Y196 HydrophobicContact CZ-CE2 4.12Å; F192-Y196 PolarHBondContact O-N 3.25Å; F192-M198 HydrophobicContact CD1-SD 4.28Å
193	R	98.8	Very high	98.8	Very high	36 Å²	36	43.8 Å²	43.8	14%	0.136	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-49.6	172.1	174.1	175.4	60.3	-143.9	12.2	111	V189 V190 D197 M198 A200 P267 D269	V189-R193 PolarHBondContact O-N 3.25Å; V190-R193 WeakPolarHBondContact O-CB 3.38Å; V190-R193 PolarHBondContact O-N 3.03Å; R193-D197 VanDerWaalsContact O-CA 3.28Å; R193-D197 WeakPolarHBondContact O-CA 3.46Å; R193-D197 PolarHBondContact O-N 3.47Å; R193-D197 VanDerWaalsContact O-N 3.16Å; R193-M198 WeakPolarHBondContact CA-O 3.3Å; R193-A200 HydrophobicContact CB-CB 4.4Å; R193-A200 WeakPolarHBondContact CD-O 3.26Å; R193-A200 PolarHBondContact NH1-O 2.77Å; R193-P267 HydrophobicContact CG-CG 4.1Å; R193-D269 IonicContact CZ-OD1 3.1Å; R193-D269 IonicContact CZ-OD2 3.58Å; R193-D269 IonicContact NH1-OD1 3.22Å; R193-D269 PolarHBondContact NH1-OD1 3.08Å; R193-D269 IonicContact NH1-OD2 3.04Å; R193-D269 PolarHBondContact NH1-OD2 3.34Å; R193-D269 IonicContact NH2-OD1 2.92Å; R193-D269 IonicContact NH2-OD2 3.48Å; R193-D269 PolarHBondContact NH2-OD2 2.63Å
194	E	98.7	Very high	98.8	Very high	137 Å²	137	42 Å²	42	64%	0.64	20%	0.198	S	C	*	.	H	α-helix	trans	-77	-36.1	-174.8	-67.9	176	-173.8	0	0	113.9	V190 N191	V190-E194 HydrophobicContact CG1-CG 4.36Å; V190-E194 VanDerWaalsContact CG1-OE1 3.25Å; V190-E194 WeakPolarHBondContact CG1-OE1 3.42Å; V190-E194 WeakPolarHBondContact O-CG 3.39Å; V190-E194 PolarHBondContact O-N 3.38Å; N191-E194 PolarHBondContact O-N 3.42Å
195	A	98.5	Very high	98.8	Very high	57 Å²	57	37.5 Å²	37.5	47%	0.471	18%	0.182	S	C	.	.	H	α-helix	trans	-86.9	-22.9	-174.5	0	0	0	0	0	113.9	N191	N191-A195 WeakPolarHBondContact O-CB 3.49Å; N191-A195 PolarHBondContact O-N 3.44Å
196	Y	98.1	Very high	98.8	Very high	96 Å²	96	37.6 Å²	37.6	38%	0.376	18%	0.182	S	C	.	.	H	α-helix	trans	-130.4	10.9	-173.2	-51.3	-57.3	0	0	0	113.8	K139 F192 M198	K139-Y196 HydrophobicContact CD-CE2 4.45Å; K139-Y196 PolarHBondContact NZ-OH 2.86Å; F192-Y196 HydrophobicContact CB-CD2 4.34Å; F192-Y196 AromaticContact CD1-CD2 3.59Å; F192-Y196 HydrophobicContact CD1-CD2 3.59Å; F192-Y196 AromaticContact CD1-CE2 3.88Å; F192-Y196 HydrophobicContact CD1-CE2 3.88Å; F192-Y196 HydrophobicContact CD2-CE2 4.31Å; F192-Y196 HydrophobicContact CE1-CD2 4Å; F192-Y196 AromaticContact CE1-CE2 3.88Å; F192-Y196 HydrophobicContact CE1-CE2 3.88Å; F192-Y196 HydrophobicContact CE2-CE2 4.32Å; F192-Y196 AromaticContact CG-CD2 3.91Å; F192-Y196 HydrophobicContact CG-CD2 3.91Å; F192-Y196 HydrophobicContact CG-CE2 4.11Å; F192-Y196 HydrophobicContact CZ-CE2 4.12Å; F192-Y196 PolarHBondContact O-N 3.25Å; Y196-M198 PolarHBondContact O-N 2.95Å; Y196-M198 VanDerWaalsContact O-N 3.09Å
197	D	98.1	Very high	98.8	Very high	148 Å²	148	38.1 Å²	38.1	79%	0.791	19%	0.186	S	C	*	.			trans	50.9	32.6	-176.9	-59	-48.7	0	0	0	112.9	R193	R193-D197 VanDerWaalsContact O-CA 3.28Å; R193-D197 WeakPolarHBondContact O-CA 3.46Å; R193-D197 PolarHBondContact O-N 3.47Å; R193-D197 VanDerWaalsContact O-N 3.16Å
198	M	98.5	Very high	98.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	16%	0.164	C	C	.	.			trans	-77.5	134	-178.8	-170.8	175.7	159.2	0	0	109.9	L135 I138 T144 F149 F192 R193 Y196 A200	L135-M198 HydrophobicContact CD2-CE 3.86Å; L135-M198 HydrophobicContact CD2-SD 4.04Å; I138-M198 HydrophobicContact CB-CE 4.47Å; I138-M198 HydrophobicContact CD1-CE 3.54Å; I138-M198 HydrophobicContact CG2-CE 3.97Å; I138-M198 HydrophobicContact CG2-SD 4.4Å; T144-M198 HydrophobicContact CG2-CB 3.8Å; T144-M198 HydrophobicContact CG2-CG 4.02Å; T144-M198 HydrophobicContact CG2-SD 4.36Å; F149-M198 HydrophobicContact CB-CE 3.47Å; F149-M198 VanDerWaalsContact CB-CE 3.47Å; F149-M198 HydrophobicContact CD2-CE 4.47Å; F149-M198 HydrophobicContact CG-CE 4.09Å; F192-M198 HydrophobicContact CD1-SD 4.28Å; R193-M198 WeakPolarHBondContact CA-O 3.3Å; Y196-M198 PolarHBondContact O-N 2.95Å; Y196-M198 VanDerWaalsContact O-N 3.09Å; M198-A200 VanDerWaalsContact C-N 3.32Å; M198-A200 HydrophobicContact CG-CB 4.39Å; M198-A200 PolarHBondContact O-N 2.92Å
199	F	98.9	Very high	98.8	Very high	29 Å²	29	31.1 Å²	31.1	13%	0.127	16%	0.159	C	C	.	.			trans	-70.4	91.5	170.5	-164.9	-66.9	0	0	0	109.1	K148 F149 V201 L262 S264 P267	K148-F199 CarbonylContact C-O 3.49Å; K148-F199 WeakPolarHBondContact CA-O 3.27Å; K148-F199 HydrophobicContact CB-CB 4.42Å; K148-F199 HydrophobicContact CB-CD1 3.72Å; K148-F199 HydrophobicContact CB-CE1 4.36Å; K148-F199 HydrophobicContact CB-CG 4.21Å; K148-F199 HydrophobicContact CD-CD1 3.74Å; K148-F199 HydrophobicContact CD-CD2 4.17Å; K148-F199 HydrophobicContact CD-CE1 3.86Å; K148-F199 HydrophobicContact CD-CE2 4.25Å; K148-F199 HydrophobicContact CD-CG 3.93Å; K148-F199 HydrophobicContact CD-CZ 4.11Å; K148-F199 HydrophobicContact CG-CB 4Å; K148-F199 HydrophobicContact CG-CD1 3.7Å; K148-F199 HydrophobicContact CG-CD2 4.38Å; K148-F199 HydrophobicContact CG-CE1 4.33Å; K148-F199 HydrophobicContact CG-CG 3.75Å; F149-F199 PolarHBondContact N-O 3.4Å; F199-V201 HydrophobicContact CD1-CG1 4.41Å; F199-V201 HydrophobicContact CE1-CG1 3.9Å; F199-L262 HydrophobicContact CD1-CD2 4.32Å; F199-L262 HydrophobicContact CE1-CD2 3.99Å; F199-S264 VanDerWaalsContact CE2-O 3.32Å; F199-S264 WeakPolarHBondContact CE2-O 3.49Å; F199-S264 WeakPolarHBondContact CZ-O 3.38Å; F199-P267 HydrophobicContact CD1-CB 4.01Å; F199-P267 HydrophobicContact CD2-CB 4.1Å; F199-P267 HydrophobicContact CD2-CG 4.25Å; F199-P267 HydrophobicContact CE1-CB 4.1Å; F199-P267 HydrophobicContact CE2-CB 4.22Å; F199-P267 HydrophobicContact CG-CB 4Å; F199-P267 HydrophobicContact CG-CG 4.4Å; F199-P267 HydrophobicContact CZ-CB 4.21Å
200	A	98.9	Very high	98.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	129.2	-177.8	0	0	0	0	0	111.1	F149 V189 R193 M198	F149-A200 HydrophobicContact CB-CB 4.16Å; F149-A200 HydrophobicContact CD1-CB 4.33Å; F149-A200 CarbonylContact O-C 3.59Å; F149-A200 VanDerWaalsContact O-CA 3.31Å; F149-A200 WeakPolarHBondContact O-CA 3.48Å; V189-A200 HydrophobicContact CG1-CB 3.91Å; R193-A200 HydrophobicContact CB-CB 4.4Å; R193-A200 WeakPolarHBondContact CD-O 3.26Å; R193-A200 PolarHBondContact NH1-O 2.77Å; M198-A200 VanDerWaalsContact C-N 3.32Å; M198-A200 HydrophobicContact CG-CB 4.39Å; M198-A200 PolarHBondContact O-N 2.92Å
201	V	98.9	Very high	98.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.4	-173.2	-57.5	0	0	0	0	111.7	F149 Y150 Q151 F199 M261 L262 P267 D268	F149-V201 PolarHBondContact O-N 3.48Å; Y150-V201 HydrophobicContact CD2-CG2 3.96Å; Q151-V201 PolarHBondContact N-O 3.27Å; F199-V201 HydrophobicContact CD1-CG1 4.41Å; F199-V201 HydrophobicContact CE1-CG1 3.9Å; V201-M261 HydrophobicContact CG2-CB 4.02Å; V201-L262 HydrophobicContact CG2-CD2 3.61Å; V201-P267 HydrophobicContact CG1-CB 3.75Å; V201-D268 WeakPolarHBondContact CB-O 3.48Å; V201-D268 WeakPolarHBondContact CG1-O 3.36Å
202	N	98.9	Very high	98.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.5	168	-71.4	-74.7	0	0	0	110.2	Q151 S153 Y186 I204 D269 F270	Q151-N202 WeakPolarHBondContact CB-OD1 3.41Å; Q151-N202 WeakPolarHBondContact CG-OD1 3.27Å; S153-N202 PolarHBondContact OG-OD1 3.39Å; Y186-N202 HydrophobicContact CD2-CB 3.71Å; Y186-N202 VanDerWaalsContact CD2-CG 3.41Å; Y186-N202 HydrophobicContact CE2-CB 3.69Å; Y186-N202 PolarHBondContact O-ND2 2.95Å; N202-I204 PolarHBondContact O-N 3.04Å; N202-D269 HydrophobicContact CB-CB 4.19Å; N202-D269 VanDerWaalsContact CB-OD1 3.3Å; N202-D269 WeakPolarHBondContact CB-OD1 3.46Å; N202-D269 PolarHBondContact N-OD1 3.12Å; N202-D269 PolarHBondContact ND2-OD1 2.95Å; N202-D269 WeakPolarHBondContact O-CA 3.4Å; N202-F270 PolarHBondContact O-N 3.25Å; N202-F270 VanDerWaalsContact O-N 3.16Å
203	G	98.9	Very high	98.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	108.8	162	0	0	0	0	0	109.8	Q151 S153 L205	Q151-G203 PolarHBondContact O-N 3.08Å; Q151-G203 VanDerWaalsContact O-N 3.11Å; S153-G203 CarbonylContact C-O 3.54Å; S153-G203 VanDerWaalsContact CA-O 3.27Å; S153-G203 WeakPolarHBondContact CA-O 3.5Å; S153-G203 VanDerWaalsContact CB-O 3.24Å; S153-G203 WeakPolarHBondContact CB-O 3.35Å; S153-G203 PolarHBondContact N-O 2.87Å; S153-G203 VanDerWaalsContact N-O 3.12Å; G203-L205 VanDerWaalsContact C-CD1 3.45Å; G203-L205 VanDerWaalsContact C-N 3.27Å; G203-L205 PolarHBondContact O-N 2.9Å; G203-L205 VanDerWaalsContact O-N 3.09Å
204	I	98.9	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	74.1	175.9	-49	169.5	0	0	0	107.9	Y158 F172 Y186 N202 F270 V271 I272	Y158-I204 HydrophobicContact CE2-CG2 3.68Å; F172-I204 HydrophobicContact CZ-CD1 4.34Å; Y186-I204 HydrophobicContact CE2-CD1 4.01Å; Y186-I204 HydrophobicContact CE2-CG1 4.18Å; N202-I204 PolarHBondContact O-N 3.04Å; I204-F270 PolarHBondContact N-O 3.3Å; I204-V271 HydrophobicContact CB-CG2 4.11Å; I204-V271 HydrophobicContact CD1-CG2 4.3Å; I204-V271 HydrophobicContact CG2-CG2 4.25Å; I204-V271 WeakPolarHBondContact O-CA 3.22Å; I204-I272 PolarHBondContact O-N 2.95Å
205	L	98.9	Very high	98.3	Very high	7 Å²	7	26.6 Å²	26.6	4%	0.037	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.4	-174.6	-85.5	58.4	0	0	0	111.1	Y150 T154 S155 G203 Y254 M258 M261 I272	Y150-L205 VanDerWaalsContact OH-CD1 3.31Å; Y150-L205 WeakPolarHBondContact OH-CD1 3.33Å; T154-L205 WeakPolarHBondContact CA-O 3.18Å; S155-L205 PolarHBondContact N-O 3.48Å; G203-L205 VanDerWaalsContact C-CD1 3.45Å; G203-L205 VanDerWaalsContact C-N 3.27Å; G203-L205 PolarHBondContact O-N 2.9Å; G203-L205 VanDerWaalsContact O-N 3.09Å; L205-Y254 HydrophobicContact CB-CD2 4.11Å; L205-Y254 HydrophobicContact CB-CE2 4.45Å; L205-Y254 HydrophobicContact CD2-CD2 3.85Å; L205-Y254 HydrophobicContact CD2-CG 4.46Å; L205-Y254 HydrophobicContact CG-CD2 3.74Å; L205-Y254 HydrophobicContact CG-CE2 4.41Å; L205-M258 HydrophobicContact CD2-CE 3.39Å; L205-M258 HydrophobicContact CD2-CG 4.41Å; L205-M261 HydrophobicContact CD1-CE 4.34Å; L205-I272 HydrophobicContact CD1-CB 3.8Å; L205-I272 HydrophobicContact CD1-CG1 3.79Å; L205-I272 HydrophobicContact CD1-CG2 4.46Å; L205-I272 HydrophobicContact CG-CB 3.88Å; L205-I272 HydrophobicContact CG-CG1 4.39Å; L205-I272 HydrophobicContact CG-CG2 4.17Å
206	F	98.8	Very high	98.1	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	16%	0.155	C	C	.	.			trans	-73.8	177.6	166.7	-80.4	-107.7	0	0	0	111	Y158 Q166 H208 D247 V271 I272 A273 L331	Y158-F206 HydrophobicContact CD2-CE2 4.45Å; Y158-F206 HydrophobicContact CD2-CZ 4.02Å; Y158-F206 HydrophobicContact CE2-CE2 4.01Å; Y158-F206 AromaticContact CE2-CZ 3.98Å; Y158-F206 HydrophobicContact CE2-CZ 3.98Å; Q166-F206 HydrophobicContact CB-CZ 4.08Å; F206-H208 PolarHBondContact O-N 3.47Å; F206-H208 PolarHBondContact O-ND1 3.49Å; F206-D247 HydrophobicContact CB-CB 4.45Å; F206-D247 HydrophobicContact CD1-CB 3.91Å; F206-V271 HydrophobicContact CD2-CG1 3.98Å; F206-V271 HydrophobicContact CE2-CG1 3.62Å; F206-I272 PolarHBondContact N-O 3.42Å; F206-A273 HydrophobicContact CB-CB 3.98Å; F206-A273 HydrophobicContact CD2-CB 3.68Å; F206-A273 HydrophobicContact CE2-CB 4.37Å; F206-A273 HydrophobicContact CG-CB 3.79Å; F206-L331 HydrophobicContact CD1-CB 4.16Å; F206-L331 HydrophobicContact CE1-CB 3.91Å; F206-L331 HydrophobicContact CE1-CD2 4.31Å
207	N	98.8	Very high	98	Very high	30 Å²	30	26.5 Å²	26.5	16%	0.16	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	131	-174.4	-64.1	78.7	0	0	0	110.1	D247 W248 G249	N207-D247 WeakPolarHBondContact CB-O 3.32Å; N207-D247 PolarHBondContact N-O 3.21Å; N207-W248 VanDerWaalsContact CB-CD1 3.45Å; N207-W248 HydrophobicContact CB-CG 4.42Å; N207-W248 CarbonylContact O-C 3.47Å; N207-W248 WeakPolarHBondContact O-CA 3.25Å; N207-G249 PolarHBondContact O-N 2.82Å
208	H	98.8	Very high	98	Very high	18 Å²	18	21.8 Å²	21.8	8%	0.083	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	133.5	177.9	49.5	-80.1	0	0	0	110.2	Q33 D34 F206 G249 Y254	Q33-H208 PolarHBondContact NE2-O 2.9Å; D34-H208 VanDerWaalsContact CG-NE2 3.34Å; D34-H208 IonicContact OD1-CD2 2.64Å; D34-H208 PolarHBondContact OD1-CD2 2.92Å; D34-H208 IonicContact OD1-NE2 2.85Å; D34-H208 PolarHBondContact OD1-NE2 3.39Å; D34-H208 IonicContact OD2-CD2 3.35Å; D34-H208 IonicContact OD2-NE2 3.99Å; D34-H208 PolarHBondContact OD2-NE2 2.89Å; D34-H208 VanDerWaalsContact OD2-NE2 3.12Å; F206-H208 PolarHBondContact O-N 3.47Å; F206-H208 PolarHBondContact O-ND1 3.49Å; H208-G249 CarbonylContact C-O 3.55Å; H208-G249 WeakPolarHBondContact CA-O 3.26Å; H208-Y254 HydrophobicContact CB-CD1 4.11Å; H208-Y254 HydrophobicContact CB-CD2 3.55Å; H208-Y254 HydrophobicContact CB-CE1 4.3Å; H208-Y254 HydrophobicContact CB-CE2 3.76Å; H208-Y254 HydrophobicContact CB-CG 3.75Å; H208-Y254 AromaticContact CG-CD2 3.46Å; H208-Y254 VanDerWaalsContact CG-CD2 3.46Å; H208-Y254 AromaticContact CG-CE2 3.99Å; H208-Y254 AromaticContact CG-CG 3.88Å; H208-Y254 AromaticContact ND1-CD2 3.32Å; H208-Y254 VanDerWaalsContact ND1-CD2 3.32Å; H208-Y254 WeakPolarHBondContact ND1-CD2 3.41Å; H208-Y254 AromaticContact ND1-CE2 3.72Å
209	E	98.8	Very high	98.1	Very high	3 Å²	3	21.8 Å²	21.8	1%	0.014	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	167.4	-162.7	-46.3	-67.2	149.4	0	0	109	R213 T219 W248 G249 H250 A251 L353 M357	E209-R213 IonicContact OE1-CZ 3.22Å; E209-R213 IonicContact OE1-NE 3.88Å; E209-R213 IonicContact OE1-NH2 3.77Å; E209-R213 PolarHBondContact OE1-NH2 3.18Å; E209-R213 WeakPolarHBondContact OE2-CD 3.41Å; E209-R213 WeakPolarHBondContact OE2-CG 3.09Å; E209-R213 IonicContact OE2-CZ 3.45Å; E209-R213 IonicContact OE2-NE 3.39Å; E209-R213 PolarHBondContact OE2-NE 3.05Å; E209-R213 IonicContact OE2-NH2 2.82Å; E209-T219 HydrophobicContact CG-CG2 3.86Å; E209-T219 PolarHBondContact OE2-OG1 3.24Å; E209-W248 HydrophobicContact CG-CG 4.35Å; E209-G249 PolarHBondContact N-O 3.41Å; E209-H250 WeakPolarHBondContact O-CA 3.33Å; E209-H250 PolarHBondContact O-CD2 2.79Å; E209-A251 PolarHBondContact O-N 3.43Å; E209-L353 HydrophobicContact CB-CD1 4.07Å; E209-L353 HydrophobicContact CB-CD2 4.14Å; E209-L353 HydrophobicContact CG-CD2 4.48Å; E209-M357 HydrophobicContact CB-SD 3.96Å
210	S	98.8	Very high	98	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.118	C	C	.	.			trans	-173.2	172.5	179.2	67.2	0	0	0	0	110.6	Q33 R212 R213	Q33-S210 WeakPolarHBondContact CG-OG 3.36Å; Q33-S210 PolarHBondContact OE1-OG 3.45Å; S210-R212 PolarHBondContact O-N 2.84Å; S210-R212 PolarHBondContact OG-N 3.41Å; S210-R213 VanDerWaalsContact O-CB 3.29Å; S210-R213 WeakPolarHBondContact O-CB 3.48Å; S210-R213 PolarHBondContact O-N 3.34Å; S210-R213 PolarHBondContact OG-N 3.28Å
211	P	98.6	Very high	98	Very high	21 Å²	21	23.1 Å²	23.1	14%	0.136	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-6.1	164.5	-27.5	37	0	0	0	115.8	R220 E356 S360	P211-R220 VanDerWaalsContact C-NH1 3.27Å; P211-R220 PolarHBondContact O-NH1 2.99Å; P211-R220 PolarHBondContact O-NH2 2.86Å; P211-E356 HydrophobicContact CG-CG 3.86Å; P211-S360 WeakPolarHBondContact CB-OG 3.39Å
212	R	98.4	Very high	98	Very high	52 Å²	52	23.2 Å²	23.2	20%	0.196	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-4.6	175.4	-61.8	-174.1	-174.8	165.3	3.9	113.5	Q33 S36 Y37 E40 R63 S210	Q33-R212 HydrophobicContact CG-CB 4.33Å; S36-R212 VanDerWaalsContact OG-CD 3.25Å; S36-R212 WeakPolarHBondContact OG-CD 3.48Å; S36-R212 PolarHBondContact OG-NH1 2.89Å; S36-R212 VanDerWaalsContact OG-NH1 3.09Å; Y37-R212 HydrophobicContact CE2-CB 4.22Å; Y37-R212 HydrophobicContact CE2-CG 4.13Å; E40-R212 VanDerWaalsContact CD-NH1 3.32Å; E40-R212 IonicContact OE1-CZ 2.92Å; E40-R212 IonicContact OE1-NH1 3.66Å; E40-R212 PolarHBondContact OE1-NH1 2.96Å; E40-R212 IonicContact OE1-NH2 2.69Å; E40-R212 PolarHBondContact OE1-NH2 3.5Å; E40-R212 IonicContact OE2-CZ 3.43Å; E40-R212 IonicContact OE2-NH1 3.48Å; E40-R212 PolarHBondContact OE2-NH1 3.22Å; E40-R212 IonicContact OE2-NH2 3.82Å; E40-R212 PolarHBondContact OE2-NH2 2.94Å; R63-R212 PolarHBondContact NE-O 3.06Å; R63-R212 PolarHBondContact NH2-O 3.41Å; S210-R212 PolarHBondContact O-N 2.84Å; S210-R212 PolarHBondContact OG-N 3.41Å
213	R	98.3	Very high	98	Very high	28 Å²	28	23.2 Å²	23.2	11%	0.106	13%	0.127	C	C	.	.	S	Bend	trans	-55.2	145.1	-178.5	-170.5	64.3	160.6	177	-11.4	112	Q33 E209 S210 F217 R220 M357	Q33-R213 VanDerWaalsContact OE1-CB 3.24Å; Q33-R213 VanDerWaalsContact OE1-CD 3.24Å; E209-R213 IonicContact OE1-CZ 3.22Å; E209-R213 IonicContact OE1-NE 3.88Å; E209-R213 IonicContact OE1-NH2 3.77Å; E209-R213 PolarHBondContact OE1-NH2 3.18Å; E209-R213 WeakPolarHBondContact OE2-CD 3.41Å; E209-R213 WeakPolarHBondContact OE2-CG 3.09Å; E209-R213 IonicContact OE2-CZ 3.45Å; E209-R213 IonicContact OE2-NE 3.39Å; E209-R213 PolarHBondContact OE2-NE 3.05Å; E209-R213 IonicContact OE2-NH2 2.82Å; S210-R213 VanDerWaalsContact O-CB 3.29Å; S210-R213 WeakPolarHBondContact O-CB 3.48Å; S210-R213 PolarHBondContact O-N 3.34Å; S210-R213 PolarHBondContact OG-N 3.28Å; R213-F217 HydrophobicContact CG-CB 3.93Å; R213-F217 HydrophobicContact CG-CD2 4.25Å; R213-F217 HydrophobicContact CG-CG 4.33Å; R213-R220 HydrophobicContact CB-CB 3.98Å; R213-R220 HydrophobicContact CB-CG 4.29Å; R213-R220 HydrophobicContact CG-CB 4.02Å; R213-R220 WeakPolarHBondContact O-CG 2.81Å; R213-R220 PolarHBondContact O-NH1 3.34Å; R213-M357 HydrophobicContact CB-CE 4.46Å
214	G	96	Very high	98	Very high	22 Å²	22	25.1 Å²	25.1	23%	0.227	13%	0.134	C	C	.	.			trans	-63	138	174.5	0	0	0	0	0	111.9	N216 F217 R220	G214-N216 PolarHBondContact O-N 3.41Å; G214-F217 WeakPolarHBondContact O-CD2 3.35Å; G214-F217 PolarHBondContact O-N 3.06Å; G214-F217 VanDerWaalsContact O-N 3.09Å; G214-R220 WeakPolarHBondContact O-CB 3.47Å
215	A	94.3	Very high	98	Very high	46 Å²	46	25.9 Å²	25.9	38%	0.38	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.6	-174.6	0	0	0	0	0	114.8	F217	A215-F217 VanDerWaalsContact C-N 3.34Å
216	N	92.9	Very high	97.9	Very high	114 Å²	114	25.5 Å²	25.5	61%	0.61	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-15.6	177.7	-66.9	-14.3	0	0	0	113.2	H112 G214	H112-N216 PolarHBondContact NE2-O 3.43Å; G214-N216 PolarHBondContact O-N 3.41Å
217	F	97.4	Very high	97.9	Very high	36 Å²	36	25.5 Å²	25.5	16%	0.158	14%	0.137	C	C	.	.	S	Bend	trans	-79.6	146.3	175.4	-66.8	-85.4	0	0	0	111	H112 R213 G214 A215 T219 R220 K221	H112-F217 HydrophobicContact CB-CZ 4.37Å; R213-F217 HydrophobicContact CG-CB 3.93Å; R213-F217 HydrophobicContact CG-CD2 4.25Å; R213-F217 HydrophobicContact CG-CG 4.33Å; G214-F217 WeakPolarHBondContact O-CD2 3.35Å; G214-F217 PolarHBondContact O-N 3.06Å; G214-F217 VanDerWaalsContact O-N 3.09Å; A215-F217 VanDerWaalsContact C-N 3.34Å; F217-T219 PolarHBondContact O-N 3.36Å; F217-R220 PolarHBondContact O-N 2.91Å; F217-K221 WeakPolarHBondContact O-CB 3.4Å; F217-K221 PolarHBondContact O-N 2.79Å
218	V	98.1	Very high	97.9	Very high	50 Å²	50	26.5 Å²	26.5	30%	0.303	14%	0.141	S	C	.	.	H	α-helix	trans	-57.6	-45.4	-167	66.2	0	0	0	0	113.8	R220 K221 I222 L239 W248 V280	V218-R220 PolarHBondContact O-N 3.24Å; V218-K221 PolarHBondContact O-N 3.11Å; V218-I222 HydrophobicContact CG2-CD1 3.86Å; V218-I222 WeakPolarHBondContact O-CD1 3.36Å; V218-I222 WeakPolarHBondContact O-CG1 3.49Å; V218-I222 PolarHBondContact O-N 3.11Å; V218-L239 HydrophobicContact CG2-CD2 4.27Å; V218-W248 HydrophobicContact CG1-CZ2 4.16Å; V218-V280 HydrophobicContact CG1-CG2 4.46Å; V218-V280 HydrophobicContact CG2-CG1 3.7Å; V218-V280 HydrophobicContact CG2-CG2 4.11Å
219	T	98.6	Very high	97.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-44.9	179.8	54.3	0	0	0	0	111.7	E209 F217 I222 S223 W248 F283	E209-T219 HydrophobicContact CG-CG2 3.86Å; E209-T219 PolarHBondContact OE2-OG1 3.24Å; F217-T219 PolarHBondContact O-N 3.36Å; T219-I222 PolarHBondContact O-N 3.4Å; T219-S223 PolarHBondContact O-N 2.85Å; T219-S223 PolarHBondContact O-OG 2.89Å; T219-W248 HydrophobicContact CG2-CD2 4.37Å; T219-W248 HydrophobicContact CG2-CZ2 4.16Å; T219-F283 HydrophobicContact CG2-CD2 3.82Å; T219-F283 HydrophobicContact CG2-CE2 3.38Å; T219-F283 HydrophobicContact CG2-CZ 3.86Å
220	R	98.4	Very high	97.9	Very high	18 Å²	18	30 Å²	30	7%	0.068	16%	0.157	C	C	.	.	H	α-helix	trans	-74.8	-35.1	179.5	-163.6	65.7	-173.5	-91	17.7	112.9	P211 R213 G214 F217 V218 I222 S223 R224 M357 D361	P211-R220 VanDerWaalsContact C-NH1 3.27Å; P211-R220 PolarHBondContact O-NH1 2.99Å; P211-R220 PolarHBondContact O-NH2 2.86Å; R213-R220 HydrophobicContact CB-CB 3.98Å; R213-R220 HydrophobicContact CB-CG 4.29Å; R213-R220 HydrophobicContact CG-CB 4.02Å; R213-R220 WeakPolarHBondContact O-CG 2.81Å; R213-R220 PolarHBondContact O-NH1 3.34Å; G214-R220 WeakPolarHBondContact O-CB 3.47Å; F217-R220 PolarHBondContact O-N 2.91Å; V218-R220 PolarHBondContact O-N 3.24Å; R220-I222 VanDerWaalsContact C-N 3.32Å; R220-S223 VanDerWaalsContact CA-OG 3.31Å; R220-S223 WeakPolarHBondContact CA-OG 3.19Å; R220-S223 PolarHBondContact O-OG 3.43Å; R220-R224 HydrophobicContact CG-CG 4.29Å; R220-R224 WeakPolarHBondContact O-CB 3.38Å; R220-R224 VanDerWaalsContact O-CG 3.24Å; R220-R224 WeakPolarHBondContact O-CG 3.27Å; R220-R224 PolarHBondContact O-N 3.48Å; R220-R224 VanDerWaalsContact O-N 3.1Å; R220-M357 HydrophobicContact CB-CE 4.08Å; R220-D361 WeakPolarHBondContact CD-OD2 3.36Å; R220-D361 IonicContact CZ-OD1 3.42Å; R220-D361 VanDerWaalsContact CZ-OD1 3.31Å; R220-D361 IonicContact CZ-OD2 3.86Å; R220-D361 IonicContact NE-OD1 3.61Å; R220-D361 PolarHBondContact NE-OD1 2.85Å; R220-D361 IonicContact NE-OD2 3.54Å; R220-D361 PolarHBondContact NE-OD2 2.77Å; R220-D361 IonicContact NH2-OD1 3.02Å; R220-D361 PolarHBondContact NH2-OD1 2.82Å; R220-D361 IonicContact NH2-OD2 2.69Å
221	K	98.6	Very high	97.8	Very high	40 Å²	40	32.5 Å²	32.5	17%	0.174	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-43.8	171.4	-178.7	177.1	173.3	-174.2	0	110.9	F217 V218 S225 S238 L239 F322	F217-K221 WeakPolarHBondContact O-CB 3.4Å; F217-K221 PolarHBondContact O-N 2.79Å; V218-K221 PolarHBondContact O-N 3.11Å; K221-S225 VanDerWaalsContact O-CB 3.26Å; K221-S225 WeakPolarHBondContact O-CB 3.33Å; K221-S225 PolarHBondContact O-N 2.99Å; K221-S225 VanDerWaalsContact O-N 3.09Å; K221-S225 PolarHBondContact O-OG 3.48Å; K221-S238 WeakPolarHBondContact CE-O 3.31Å; K221-S238 PolarHBondContact NZ-O 2.86Å; K221-L239 HydrophobicContact CD-CD2 3.98Å; K221-L239 HydrophobicContact CG-CD2 4.47Å; K221-F322 VanDerWaalsContact NZ-CE2 3.34Å
222	I	98.8	Very high	97.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-64.2	-58.5	177.9	-68.5	162.1	0	0	0	110.6	V218 T219 R220 R224 S225 V226 F237 L239 V280 F283 V284 A287	V218-I222 HydrophobicContact CG2-CD1 3.86Å; V218-I222 WeakPolarHBondContact O-CD1 3.36Å; V218-I222 WeakPolarHBondContact O-CG1 3.49Å; V218-I222 PolarHBondContact O-N 3.11Å; T219-I222 PolarHBondContact O-N 3.4Å; R220-I222 VanDerWaalsContact C-N 3.32Å; I222-R224 VanDerWaalsContact C-N 3.34Å; I222-R224 PolarHBondContact O-N 3.32Å; I222-S225 PolarHBondContact O-N 3.31Å; I222-S225 VanDerWaalsContact O-N 3.08Å; I222-V226 HydrophobicContact CG2-CG2 4.09Å; I222-V226 WeakPolarHBondContact O-CG2 3.45Å; I222-V226 PolarHBondContact O-N 2.89Å; I222-F237 HydrophobicContact CG1-CE2 4.21Å; I222-F237 HydrophobicContact CG1-CZ 4.49Å; I222-L239 HydrophobicContact CD1-CD1 4.17Å; I222-L239 HydrophobicContact CG1-CD1 4.01Å; I222-L239 HydrophobicContact CG1-CD2 4.29Å; I222-V280 HydrophobicContact CD1-CG1 4.15Å; I222-F283 HydrophobicContact CB-CD1 4.19Å; I222-F283 HydrophobicContact CB-CE1 4.38Å; I222-F283 HydrophobicContact CD1-CB 4.29Å; I222-F283 HydrophobicContact CD1-CD1 3.95Å; I222-F283 HydrophobicContact CD1-CG 4.31Å; I222-F283 HydrophobicContact CG2-CD1 3.88Å; I222-F283 HydrophobicContact CG2-CE1 4.24Å; I222-V284 HydrophobicContact CD1-CG2 3.59Å; I222-V284 HydrophobicContact CG1-CG2 3.88Å; I222-V284 HydrophobicContact CG2-CG2 4.17Å; I222-A287 HydrophobicContact CG2-CB 3.93Å
223	S	98.8	Very high	97.8	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.007	20%	0.204	C	C	.	.	H	α-helix	trans	-55	-46.3	-177.1	38.3	0	0	0	0	112.6	T219 R220 S225 V226 A227 D361	T219-S223 PolarHBondContact O-N 2.85Å; T219-S223 PolarHBondContact O-OG 2.89Å; R220-S223 VanDerWaalsContact CA-OG 3.31Å; R220-S223 WeakPolarHBondContact CA-OG 3.19Å; R220-S223 PolarHBondContact O-OG 3.43Å; S223-S225 PolarHBondContact O-N 3.28Å; S223-V226 PolarHBondContact O-N 2.86Å; S223-A227 VanDerWaalsContact O-CB 3.3Å; S223-A227 WeakPolarHBondContact O-CB 3.29Å; S223-A227 PolarHBondContact O-N 3.46Å; S223-D361 WeakPolarHBondContact CB-OD2 3.43Å; S223-D361 PolarHBondContact OG-OD2 2.81Å; S223-D361 VanDerWaalsContact OG-OD2 3.14Å
224	R	98.5	Very high	97.7	Very high	39 Å²	39	37.3 Å²	37.3	15%	0.147	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-41.5	175.8	-68	175.3	61.5	95.2	-13.6	113.3	R220 I222 A227 K228 D361 A371	R220-R224 HydrophobicContact CG-CG 4.29Å; R220-R224 WeakPolarHBondContact O-CB 3.38Å; R220-R224 VanDerWaalsContact O-CG 3.24Å; R220-R224 WeakPolarHBondContact O-CG 3.27Å; R220-R224 PolarHBondContact O-N 3.48Å; R220-R224 VanDerWaalsContact O-N 3.1Å; I222-R224 VanDerWaalsContact C-N 3.34Å; I222-R224 PolarHBondContact O-N 3.32Å; R224-A227 PolarHBondContact O-N 3.32Å; R224-K228 WeakPolarHBondContact O-CG 3.28Å; R224-K228 PolarHBondContact O-N 3.1Å; R224-D361 HydrophobicContact CG-CB 4.2Å; R224-D361 WeakPolarHBondContact CG-OD1 3.45Å; R224-D361 WeakPolarHBondContact CG-OD2 3.35Å; R224-D361 PolarHBondContact N-OD2 3.1Å; R224-A371 VanDerWaalsContact CZ-OXT 3.26Å; R224-A371 PolarHBondContact NH1-OXT 2.81Å; R224-A371 PolarHBondContact NH2-O 3.18Å; R224-A371 PolarHBondContact NH2-OXT 3.42Å
225	S	98.6	Very high	97.8	Very high	16 Å²	16	44 Å²	44	11%	0.112	24%	0.239	C	C	.	.	H	α-helix	trans	-68	-42.3	179.8	-57	0	0	0	0	111.2	K221 I222 S223 K228 I229 F237	K221-S225 VanDerWaalsContact O-CB 3.26Å; K221-S225 WeakPolarHBondContact O-CB 3.33Å; K221-S225 PolarHBondContact O-N 2.99Å; K221-S225 VanDerWaalsContact O-N 3.09Å; K221-S225 PolarHBondContact O-OG 3.48Å; I222-S225 PolarHBondContact O-N 3.31Å; I222-S225 VanDerWaalsContact O-N 3.08Å; S223-S225 PolarHBondContact O-N 3.28Å; S225-K228 PolarHBondContact O-N 3.25Å; S225-I229 VanDerWaalsContact O-CG1 3.3Å; S225-I229 WeakPolarHBondContact O-CG1 3.49Å; S225-I229 PolarHBondContact O-N 3.01Å; S225-F237 VanDerWaalsContact CB-CD1 3.47Å
226	V	98.6	Very high	98	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.6	-42.2	176	176.3	0	0	0	0	110.9	I222 S223 K228 I229 H230 A287 F288 V291 L358	I222-V226 HydrophobicContact CG2-CG2 4.09Å; I222-V226 WeakPolarHBondContact O-CG2 3.45Å; I222-V226 PolarHBondContact O-N 2.89Å; S223-V226 PolarHBondContact O-N 2.86Å; V226-K228 PolarHBondContact O-N 2.8Å; V226-I229 PolarHBondContact O-N 3.43Å; V226-H230 WeakPolarHBondContact O-CB 3.44Å; V226-H230 PolarHBondContact O-N 2.93Å; V226-A287 HydrophobicContact CG1-CB 4.47Å; V226-A287 HydrophobicContact CG2-CB 4.08Å; V226-F288 HydrophobicContact CG1-CD1 4.34Å; V226-F288 HydrophobicContact CG1-CG 4.5Å; V226-F288 HydrophobicContact CG2-CD2 3.88Å; V226-F288 HydrophobicContact CG2-CE1 4.33Å; V226-F288 HydrophobicContact CG2-CE2 3.66Å; V226-F288 HydrophobicContact CG2-CG 4.32Å; V226-F288 HydrophobicContact CG2-CZ 3.9Å; V226-V291 HydrophobicContact CG1-CG1 4.22Å; V226-V291 HydrophobicContact CG1-CG2 3.7Å; V226-L358 HydrophobicContact CB-CD1 4.04Å; V226-L358 HydrophobicContact CG1-CD1 3.85Å; V226-L358 HydrophobicContact CG1-CD2 4.34Å
227	A	98.6	Very high	98.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.1	-47	173.6	0	0	0	0	0	111.9	S223 R224 H230 L231 L358 D361 I362 M365	S223-A227 VanDerWaalsContact O-CB 3.3Å; S223-A227 WeakPolarHBondContact O-CB 3.29Å; S223-A227 PolarHBondContact O-N 3.46Å; R224-A227 PolarHBondContact O-N 3.32Å; A227-H230 PolarHBondContact O-N 2.89Å; A227-L231 WeakPolarHBondContact O-CG 3.28Å; A227-L231 PolarHBondContact O-N 3.34Å; A227-L358 HydrophobicContact CB-CD1 4.24Å; A227-D361 HydrophobicContact CB-CB 3.94Å; A227-I362 HydrophobicContact CB-CB 4.48Å; A227-I362 HydrophobicContact CB-CG1 3.71Å; A227-M365 HydrophobicContact CB-CG 4.35Å
228	K	98.4	Very high	98.3	Very high	52 Å²	52	38.5 Å²	38.5	23%	0.226	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-41	176.2	-72.8	-169.3	175.2	-164.4	0	112.6	R224 S225 V226 L231 G232 Q233 L234 M365 P369	R224-K228 WeakPolarHBondContact O-CG 3.28Å; R224-K228 PolarHBondContact O-N 3.1Å; S225-K228 PolarHBondContact O-N 3.25Å; V226-K228 PolarHBondContact O-N 2.8Å; K228-L231 CarbonylContact O-C 3.59Å; K228-L231 PolarHBondContact O-N 2.66Å; K228-G232 PolarHBondContact O-N 2.87Å; K228-G232 VanDerWaalsContact O-N 3.11Å; K228-Q233 HydrophobicContact CB-CB 4.05Å; K228-Q233 HydrophobicContact CG-CB 4.3Å; K228-Q233 PolarHBondContact O-N 3.44Å; K228-L234 HydrophobicContact CB-CB 3.65Å; K228-L234 HydrophobicContact CB-CD2 4.4Å; K228-L234 PolarHBondContact O-N 3.49Å; K228-M365 HydrophobicContact CD-SD 4.32Å; K228-M365 WeakPolarHBondContact CE-SD 3.5Å; K228-M365 HydrophobicContact CG-CG 3.95Å; K228-M365 HydrophobicContact CG-SD 4.07Å; K228-P369 PolarHBondContact NZ-O 3.03Å; K228-P369 VanDerWaalsContact NZ-O 3.14Å
229	I	98.4	Very high	98.3	Very high	13 Å²	13	36.3 Å²	36.3	7%	0.067	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-43.8	175.3	-71.1	162.6	0	0	0	111	S225 V226 L231 G232 L234 F237 F288 H315	S225-I229 VanDerWaalsContact O-CG1 3.3Å; S225-I229 WeakPolarHBondContact O-CG1 3.49Å; S225-I229 PolarHBondContact O-N 3.01Å; V226-I229 PolarHBondContact O-N 3.43Å; I229-L231 PolarHBondContact O-N 3.09Å; I229-G232 PolarHBondContact O-N 3.19Å; I229-G232 VanDerWaalsContact O-N 3.11Å; I229-L234 WeakPolarHBondContact CA-O 3.18Å; I229-L234 HydrophobicContact CG1-CB 4.17Å; I229-L234 HydrophobicContact CG1-CD2 4.46Å; I229-L234 HydrophobicContact CG1-CG 4.34Å; I229-L234 VanDerWaalsContact CG1-O 3.23Å; I229-L234 WeakPolarHBondContact CG1-O 3.32Å; I229-F237 HydrophobicContact CD1-CD1 3.83Å; I229-F237 HydrophobicContact CD1-CE1 4.08Å; I229-F288 HydrophobicContact CD1-CE1 4.26Å; I229-F288 HydrophobicContact CD1-CZ 3.91Å; I229-F288 HydrophobicContact CG2-CE1 4.27Å; I229-H315 HydrophobicContact CD1-CB 4.15Å
230	H	98.1	Very high	98.2	Very high	82 Å²	82	36.8 Å²	36.8	38%	0.38	20%	0.201	S	C	.	.	H	α-helix	trans	-60.3	-36	177	175.2	69.1	0	0	0	112.4	V226 A227 G232 V291	V226-H230 WeakPolarHBondContact O-CB 3.44Å; V226-H230 PolarHBondContact O-N 2.93Å; A227-H230 PolarHBondContact O-N 2.89Å; H230-G232 VanDerWaalsContact C-N 3.35Å; H230-V291 HydrophobicContact CB-CB 4.06Å; H230-V291 HydrophobicContact CB-CG1 3.8Å; H230-V291 HydrophobicContact CB-CG2 4.43Å
231	L	98.1	Very high	98.1	Very high	51 Å²	51	37.9 Å²	37.9	27%	0.267	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	3.7	177.8	-62.8	174.8	0	0	0	114.1	A227 K228 I229 Q233 M365 R366	A227-L231 WeakPolarHBondContact O-CG 3.28Å; A227-L231 PolarHBondContact O-N 3.34Å; K228-L231 CarbonylContact O-C 3.59Å; K228-L231 PolarHBondContact O-N 2.66Å; I229-L231 PolarHBondContact O-N 3.09Å; L231-Q233 VanDerWaalsContact C-N 3.26Å; L231-Q233 HydrophobicContact CB-CG 3.94Å; L231-Q233 PolarHBondContact O-N 3.34Å; L231-M365 HydrophobicContact CD1-CB 3.57Å; L231-R366 HydrophobicContact CD1-CB 4.43Å
232	G	97.6	Very high	98.1	Very high	69 Å²	69	36.1 Å²	36.1	71%	0.711	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.1	20.3	-178.2	0	0	0	0	0	114.6	K228 I229 H230	K228-G232 PolarHBondContact O-N 2.87Å; K228-G232 VanDerWaalsContact O-N 3.11Å; I229-G232 PolarHBondContact O-N 3.19Å; I229-G232 VanDerWaalsContact O-N 3.11Å; H230-G232 VanDerWaalsContact C-N 3.35Å
233	Q	98	Very high	98	Very high	72 Å²	72	40.7 Å²	40.7	34%	0.336	23%	0.226	S	C	.	.	S	Bend	trans	-95.2	-9.3	-178.2	-59.8	173.1	-4.6	0	0	113	K228 L231 M365	K228-Q233 HydrophobicContact CB-CB 4.05Å; K228-Q233 HydrophobicContact CG-CB 4.3Å; K228-Q233 PolarHBondContact O-N 3.44Å; L231-Q233 VanDerWaalsContact C-N 3.26Å; L231-Q233 HydrophobicContact CB-CG 3.94Å; L231-Q233 PolarHBondContact O-N 3.34Å; Q233-M365 PolarHBondContact NE2-O 3.18Å
234	L	98.1	Very high	97.9	Very high	62 Å²	62	41 Å²	41	33%	0.325	23%	0.227	S	C	.	.			trans	-150.8	141.7	179	-175.9	66.6	0	0	0	109.2	K228 I229 F237	K228-L234 HydrophobicContact CB-CB 3.65Å; K228-L234 HydrophobicContact CB-CD2 4.4Å; K228-L234 PolarHBondContact O-N 3.49Å; I229-L234 WeakPolarHBondContact CA-O 3.18Å; I229-L234 HydrophobicContact CG1-CB 4.17Å; I229-L234 HydrophobicContact CG1-CD2 4.46Å; I229-L234 HydrophobicContact CG1-CG 4.34Å; I229-L234 VanDerWaalsContact CG1-O 3.23Å; I229-L234 WeakPolarHBondContact CG1-O 3.32Å; L234-F237 HydrophobicContact CD2-CB 4.31Å
235	E	97.6	Very high	97.9	Very high	161 Å²	161	43.6 Å²	43.6	75%	0.752	24%	0.24	S	C	*	.	S	Bend	trans	-92.1	-43.5	178.2	-65.4	-174.7	165.5	0	0	112.8	H315	E235-H315 PolarHBondContact O-ND1 3.49Å
236	S	98.1	Very high	97.9	Very high	35 Å²	35	43.7 Å²	43.7	25%	0.245	24%	0.238	C	C	.	.			trans	-154.2	162.7	-178.4	61.8	0	0	0	0	111.9	H315	S236-H315 CarbonylContact C-O 3.44Å; S236-H315 WeakPolarHBondContact CA-O 3.34Å; S236-H315 WeakPolarHBondContact CB-O 3.23Å
237	F	98.6	Very high	97.9	Very high	15 Å²	15	43.7 Å²	43.7	7%	0.066	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	161	173.2	70.3	-75.3	0	0	0	111	I222 S225 I229 L234 L239 F288 H315 V316 K317	I222-F237 HydrophobicContact CG1-CE2 4.21Å; I222-F237 HydrophobicContact CG1-CZ 4.49Å; S225-F237 VanDerWaalsContact CB-CD1 3.47Å; I229-F237 HydrophobicContact CD1-CD1 3.83Å; I229-F237 HydrophobicContact CD1-CE1 4.08Å; L234-F237 HydrophobicContact CD2-CB 4.31Å; F237-L239 HydrophobicContact CD2-CD2 4.26Å; F237-L239 HydrophobicContact CD2-CG 4.12Å; F237-L239 HydrophobicContact CE2-CD1 3.83Å; F237-L239 HydrophobicContact CE2-CD2 3.95Å; F237-L239 HydrophobicContact CE2-CG 3.71Å; F237-F288 HydrophobicContact CE1-CE2 4.01Å; F237-F288 HydrophobicContact CE1-CZ 4.02Å; F237-F288 HydrophobicContact CZ-CE2 4.38Å; F237-H315 WeakPolarHBondContact CD1-O 3.3Å; F237-H315 PolarHBondContact N-O 2.68Å; F237-V316 HydrophobicContact CE1-CG2 3.9Å; F237-V316 HydrophobicContact CZ-CG2 4.07Å; F237-V316 WeakPolarHBondContact O-CA 3.42Å; F237-K317 PolarHBondContact O-N 3.31Å
238	S	98.4	Very high	97.9	Very high	31 Å²	31	43.9 Å²	43.9	22%	0.217	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144.1	-179.8	-50.7	0	0	0	0	112.7	K221 K317 F322	K221-S238 WeakPolarHBondContact CE-O 3.31Å; K221-S238 PolarHBondContact NZ-O 2.86Å; S238-K317 CarbonylContact C-O 3.02Å; S238-K317 WeakPolarHBondContact CA-O 3.3Å; S238-F322 WeakPolarHBondContact O-CE2 3.22Å
239	L	98.3	Very high	97.9	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	175.3	174.6	-68.3	176.1	0	0	0	111	V218 K221 I222 F237 L242 V280 V284 V316 K317 V318 D319	V218-L239 HydrophobicContact CG2-CD2 4.27Å; K221-L239 HydrophobicContact CD-CD2 3.98Å; K221-L239 HydrophobicContact CG-CD2 4.47Å; I222-L239 HydrophobicContact CD1-CD1 4.17Å; I222-L239 HydrophobicContact CG1-CD1 4.01Å; I222-L239 HydrophobicContact CG1-CD2 4.29Å; F237-L239 HydrophobicContact CD2-CD2 4.26Å; F237-L239 HydrophobicContact CD2-CG 4.12Å; F237-L239 HydrophobicContact CE2-CD1 3.83Å; F237-L239 HydrophobicContact CE2-CD2 3.95Å; F237-L239 HydrophobicContact CE2-CG 3.71Å; L239-L242 HydrophobicContact CB-CD2 4.07Å; L239-L242 HydrophobicContact CD1-CD2 3.72Å; L239-V280 HydrophobicContact CD1-CG1 4.14Å; L239-V284 HydrophobicContact CD1-CG2 3.66Å; L239-V316 HydrophobicContact CD1-CG1 4.37Å; L239-K317 PolarHBondContact N-O 2.98Å; L239-V318 CarbonylContact O-C 3.55Å; L239-V318 WeakPolarHBondContact O-CA 3.49Å; L239-D319 PolarHBondContact O-N 3.17Å
240	G	96.4	Very high	97.9	Very high	10 Å²	10	41 Å²	41	10%	0.103	23%	0.226	C	C	.	.	S	Bend	trans	-96.8	-123.9	170.7	0	0	0	0	0	110.2	L242	G240-L242 PolarHBondContact O-N 2.7Å; G240-L242 VanDerWaalsContact O-N 3.17Å
241	N	95.9	Very high	98	Very high	41 Å²	41	37.1 Å²	37.1	22%	0.219	21%	0.208	C	C	.	.			trans	-65.8	110.9	179.9	-170.8	-3.6	0	0	0	112.5	D243 S244 F323	N241-D243 PolarHBondContact OD1-N 2.76Å; N241-S244 VanDerWaalsContact CG-OG 3.28Å; N241-S244 PolarHBondContact ND2-OG 3.09Å; N241-S244 PolarHBondContact OD1-N 3.3Å; N241-F323 VanDerWaalsContact CA-CE1 3.48Å; N241-F323 HydrophobicContact CB-CD1 3.87Å; N241-F323 HydrophobicContact CB-CE1 3.65Å; N241-F323 VanDerWaalsContact N-CE1 3.26Å
242	L	97.8	Very high	98	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	22%	0.221	C	C	.	.	S	Bend	trans	-78	-22.7	176.9	-66.8	174.9	0	0	0	112.9	L239 G240 V280 R281 W297 V318	L239-L242 HydrophobicContact CB-CD2 4.07Å; L239-L242 HydrophobicContact CD1-CD2 3.72Å; G240-L242 PolarHBondContact O-N 2.7Å; G240-L242 VanDerWaalsContact O-N 3.17Å; L242-V280 HydrophobicContact CD2-CG1 4.16Å; L242-V280 WeakPolarHBondContact O-CB 3.29Å; L242-V280 PolarHBondContact O-N 2.99Å; L242-R281 HydrophobicContact CB-CB 4.3Å; L242-R281 WeakPolarHBondContact O-CB 3.44Å; L242-R281 PolarHBondContact O-N 3.07Å; L242-W297 HydrophobicContact CD1-CE3 4.02Å; L242-W297 HydrophobicContact CD1-CH2 3.79Å; L242-W297 HydrophobicContact CD1-CZ3 3.4Å; L242-W297 HydrophobicContact CD2-CH2 4.13Å; L242-W297 HydrophobicContact CD2-CZ3 4.49Å; L242-V318 HydrophobicContact CD1-CG2 3.82Å; L242-V318 HydrophobicContact CG-CG2 4.27Å
243	D	97.2	Very high	98	Very high	97 Å²	97	38.2 Å²	38.2	52%	0.519	19%	0.192	S	C	.	.	S	Bend	trans	-93.4	-3.6	-174.1	-59.2	-33.5	0	0	0	112.9	N241 K245 R281	N241-D243 PolarHBondContact OD1-N 2.76Å; D243-K245 PolarHBondContact O-N 2.82Å; D243-R281 IonicContact OD1-CZ 2.7Å; D243-R281 IonicContact OD1-NE 3.39Å; D243-R281 PolarHBondContact OD1-NE 3.35Å; D243-R281 IonicContact OD1-NH2 2.79Å; D243-R281 PolarHBondContact OD1-NH2 3.01Å; D243-R281 IonicContact OD2-NH2 3.67Å
244	S	96.1	Very high	98.1	Very high	6 Å²	6	34.8 Å²	34.8	4%	0.042	18%	0.176	C	C	.	.			trans	-56.4	130.1	169.6	-77.9	0	0	0	0	111	N241 S279 V280	N241-S244 VanDerWaalsContact CG-OG 3.28Å; N241-S244 PolarHBondContact ND2-OG 3.09Å; N241-S244 PolarHBondContact OD1-N 3.3Å; S244-S279 CarbonylContact O-C 3.58Å; S244-S279 WeakPolarHBondContact O-CA 3.46Å; S244-V280 PolarHBondContact O-N 2.85Å
245	K	98.3	Very high	98.1	Very high	95 Å²	95	31.9 Å²	31.9	41%	0.413	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135	-177.3	-76.1	-179.2	-177	-176.3	0	111.8	D243 V277 H278 D329 F330 L331	D243-K245 PolarHBondContact O-N 2.82Å; K245-V277 HydrophobicContact CB-CG2 3.73Å; K245-V277 HydrophobicContact CG-CG2 4.48Å; K245-H278 CarbonylContact C-O 3.58Å; K245-H278 VanDerWaalsContact CA-O 3.31Å; K245-H278 WeakPolarHBondContact CA-O 3.48Å; K245-D329 PolarHBondContact N-O 3.48Å; K245-F330 HydrophobicContact CB-CD2 3.87Å; K245-F330 HydrophobicContact CB-CE2 4.47Å; K245-F330 HydrophobicContact CD-CD2 3.89Å; K245-F330 HydrophobicContact CD-CE2 4.14Å; K245-L331 PolarHBondContact O-N 3.12Å
246	R	98.6	Very high	98.2	Very high	17 Å²	17	27.9 Å²	27.9	6%	0.064	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	152.9	-177.7	-62.4	-64.3	-179.2	-81.6	0.2	110.9	W248 V277 H278 E327 V328	R246-W248 HydrophobicContact CB-CD2 3.76Å; R246-W248 VanDerWaalsContact CB-CE2 3.46Å; R246-W248 HydrophobicContact CB-CE3 4.11Å; R246-W248 HydrophobicContact CB-CG 4.35Å; R246-W248 HydrophobicContact CB-CH2 3.95Å; R246-W248 HydrophobicContact CB-CZ2 3.58Å; R246-W248 HydrophobicContact CB-CZ3 4.21Å; R246-W248 HydrophobicContact CG-CH2 4.22Å; R246-W248 HydrophobicContact CG-CZ2 3.68Å; R246-V277 WeakPolarHBondContact O-CA 3.47Å; R246-H278 PolarHBondContact N-O 3.34Å; R246-H278 PolarHBondContact O-N 3.11Å; R246-E327 IonicContact NH2-OE1 3.72Å; R246-E327 PolarHBondContact NH2-OE1 3.16Å; R246-V328 PolarHBondContact NH1-O 2.59Å; R246-V328 PolarHBondContact NH2-O 3.1Å
247	D	98.8	Very high	98.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.			trans	-92.6	112.5	165.5	-179.6	-34.5	0	0	0	108	F206 N207 T274 G275 E276 L331 G333	F206-D247 HydrophobicContact CB-CB 4.45Å; F206-D247 HydrophobicContact CD1-CB 3.91Å; N207-D247 WeakPolarHBondContact CB-O 3.32Å; N207-D247 PolarHBondContact N-O 3.21Å; D247-T274 VanDerWaalsContact CG-OG1 3.24Å; D247-T274 WeakPolarHBondContact OD1-CB 3.14Å; D247-T274 PolarHBondContact OD1-N 3.3Å; D247-T274 PolarHBondContact OD1-OG1 3.04Å; D247-T274 PolarHBondContact OD2-N 3.08Å; D247-G275 WeakPolarHBondContact OD2-CA 3.12Å; D247-G275 PolarHBondContact OD2-N 2.94Å; D247-E276 WeakPolarHBondContact CA-O 3.35Å; D247-E276 WeakPolarHBondContact CB-O 3.42Å; D247-L331 PolarHBondContact N-O 2.96Å; D247-G333 PolarHBondContact OD2-N 3.23Å; D247-G333 VanDerWaalsContact OD2-N 3.16Å
248	W	98.8	Very high	98.2	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.015	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	109.8	-173.1	-77.2	-59.8	0	0	0	111.4	N207 E209 V218 T219 R246 H278 V280 F283 F350 L353	N207-W248 VanDerWaalsContact CB-CD1 3.45Å; N207-W248 HydrophobicContact CB-CG 4.42Å; N207-W248 CarbonylContact O-C 3.47Å; N207-W248 WeakPolarHBondContact O-CA 3.25Å; E209-W248 HydrophobicContact CG-CG 4.35Å; V218-W248 HydrophobicContact CG1-CZ2 4.16Å; T219-W248 HydrophobicContact CG2-CD2 4.37Å; T219-W248 HydrophobicContact CG2-CZ2 4.16Å; R246-W248 HydrophobicContact CB-CD2 3.76Å; R246-W248 VanDerWaalsContact CB-CE2 3.46Å; R246-W248 HydrophobicContact CB-CE3 4.11Å; R246-W248 HydrophobicContact CB-CG 4.35Å; R246-W248 HydrophobicContact CB-CH2 3.95Å; R246-W248 HydrophobicContact CB-CZ2 3.58Å; R246-W248 HydrophobicContact CB-CZ3 4.21Å; R246-W248 HydrophobicContact CG-CH2 4.22Å; R246-W248 HydrophobicContact CG-CZ2 3.68Å; W248-H278 HydrophobicContact CE3-CB 4.08Å; W248-H278 HydrophobicContact CZ3-CB 3.95Å; W248-H278 VanDerWaalsContact CZ3-O 3.28Å; W248-H278 WeakPolarHBondContact CZ3-O 3.28Å; W248-V280 HydrophobicContact CH2-CG2 4.04Å; W248-V280 HydrophobicContact CZ2-CG2 4.39Å; W248-F283 HydrophobicContact CE3-CD2 4.22Å; W248-F283 HydrophobicContact CZ3-CD2 4.23Å; W248-F350 HydrophobicContact CE3-CD2 4.33Å; W248-F350 AromaticContact CE3-CE2 3.72Å; W248-F350 HydrophobicContact CE3-CE2 3.72Å; W248-F350 HydrophobicContact CZ3-CE2 4.22Å; W248-L353 HydrophobicContact CB-CD2 4.03Å
249	G	98.8	Very high	98.3	Very high	1 Å²	1	26 Å²	26	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-177.4	169.2	0	0	0	0	0	114	N207 H208 E209 T274	N207-G249 PolarHBondContact O-N 2.82Å; H208-G249 CarbonylContact C-O 3.55Å; H208-G249 WeakPolarHBondContact CA-O 3.26Å; E209-G249 PolarHBondContact N-O 3.41Å; G249-T274 VanDerWaalsContact CA-CG2 3.47Å
250	H	98.9	Very high	98.3	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.019	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.8	174.5	-171.3	-95.3	0	0	0	111.9	E209 K252 D253 Y254 V348 L353 E356	E209-H250 WeakPolarHBondContact O-CA 3.33Å; E209-H250 PolarHBondContact O-CD2 2.79Å; H250-K252 VanDerWaalsContact CE1-CB 3.41Å; H250-K252 WeakPolarHBondContact CE1-CB 3.22Å; H250-K252 VanDerWaalsContact ND1-CB 3.27Å; H250-K252 WeakPolarHBondContact ND1-CB 3.2Å; H250-K252 PolarHBondContact ND1-N 3.38Å; H250-K252 PolarHBondContact O-N 3.39Å; H250-D253 PolarHBondContact O-N 3.32Å; H250-D253 VanDerWaalsContact O-N 3.08Å; H250-Y254 VanDerWaalsContact O-CD1 3.28Å; H250-Y254 WeakPolarHBondContact O-CD1 3.42Å; H250-Y254 PolarHBondContact O-N 2.77Å; H250-V348 HydrophobicContact CB-CB 3.58Å; H250-V348 HydrophobicContact CB-CG1 3.89Å; H250-V348 HydrophobicContact CB-CG2 3.73Å; H250-L353 HydrophobicContact CB-CD1 4.44Å; H250-E356 IonicContact CD2-OE2 2.81Å; H250-E356 IonicContact NE2-OE1 2.71Å; H250-E356 IonicContact NE2-OE2 2.72Å; H250-E356 PolarHBondContact NE2-OE2 3.33Å
251	A	98.8	Very high	98.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60	-31.8	-173	0	0	0	0	0	114	Q33 Y37 E209 D253 Y254 V255	Q33-A251 HydrophobicContact CG-CB 3.81Å; Y37-A251 HydrophobicContact CD2-CB 4.07Å; Y37-A251 HydrophobicContact CE2-CB 4.21Å; E209-A251 PolarHBondContact O-N 3.43Å; A251-D253 VanDerWaalsContact C-N 3.31Å; A251-D253 PolarHBondContact O-N 3.29Å; A251-Y254 PolarHBondContact O-N 3.05Å; A251-V255 PolarHBondContact O-N 2.76Å; A251-V255 VanDerWaalsContact O-N 3.14Å
252	K	98.6	Very high	98.5	Very high	127 Å²	127	25 Å²	25	55%	0.552	12%	0.116	S	C	*	.	H	α-helix	trans	-64.6	-34.6	177.9	-170.9	-178.6	176.6	-176.1	0	112.6	Y37 H250 Y254 V255	Y37-K252 HydrophobicContact CD1-CB 4.21Å; Y37-K252 HydrophobicContact CD1-CG 4.24Å; Y37-K252 HydrophobicContact CE1-CB 4.37Å; Y37-K252 HydrophobicContact CG-CB 4.47Å; H250-K252 VanDerWaalsContact CE1-CB 3.41Å; H250-K252 WeakPolarHBondContact CE1-CB 3.22Å; H250-K252 VanDerWaalsContact ND1-CB 3.27Å; H250-K252 WeakPolarHBondContact ND1-CB 3.2Å; H250-K252 PolarHBondContact ND1-N 3.38Å; H250-K252 PolarHBondContact O-N 3.39Å; K252-Y254 VanDerWaalsContact C-N 3.33Å; K252-V255 VanDerWaalsContact O-CG2 3.22Å; K252-V255 WeakPolarHBondContact O-CG2 3.48Å
253	D	98.8	Very high	98.6	Very high	17 Å²	17	28.1 Å²	28.1	9%	0.091	13%	0.131	C	C	.	.	H	α-helix	trans	-73.4	-33.3	177.7	-60.3	-0	0	0	0	110.3	H250 A251 W344 Q347 V348	H250-D253 PolarHBondContact O-N 3.32Å; H250-D253 VanDerWaalsContact O-N 3.08Å; A251-D253 VanDerWaalsContact C-N 3.31Å; A251-D253 PolarHBondContact O-N 3.29Å; D253-W344 PolarHBondContact O-NE1 3.07Å; D253-Q347 WeakPolarHBondContact OD2-CA 3.31Å; D253-Q347 PolarHBondContact OD2-N 2.8Å; D253-V348 PolarHBondContact OD2-N 3.42Å
254	Y	98.9	Very high	98.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-76.4	-33.4	-174.3	-80.3	46.9	0	0	0	112	L205 H208 H250 A251 K252 E256 A257 M258 I272 A273 W344	L205-Y254 HydrophobicContact CB-CD2 4.11Å; L205-Y254 HydrophobicContact CB-CE2 4.45Å; L205-Y254 HydrophobicContact CD2-CD2 3.85Å; L205-Y254 HydrophobicContact CD2-CG 4.46Å; L205-Y254 HydrophobicContact CG-CD2 3.74Å; L205-Y254 HydrophobicContact CG-CE2 4.41Å; H208-Y254 HydrophobicContact CB-CD1 4.11Å; H208-Y254 HydrophobicContact CB-CD2 3.55Å; H208-Y254 HydrophobicContact CB-CE1 4.3Å; H208-Y254 HydrophobicContact CB-CE2 3.76Å; H208-Y254 HydrophobicContact CB-CG 3.75Å; H208-Y254 AromaticContact CG-CD2 3.46Å; H208-Y254 VanDerWaalsContact CG-CD2 3.46Å; H208-Y254 AromaticContact CG-CE2 3.99Å; H208-Y254 AromaticContact CG-CG 3.88Å; H208-Y254 AromaticContact ND1-CD2 3.32Å; H208-Y254 VanDerWaalsContact ND1-CD2 3.32Å; H208-Y254 WeakPolarHBondContact ND1-CD2 3.41Å; H208-Y254 AromaticContact ND1-CE2 3.72Å; H250-Y254 VanDerWaalsContact O-CD1 3.28Å; H250-Y254 WeakPolarHBondContact O-CD1 3.42Å; H250-Y254 PolarHBondContact O-N 2.77Å; A251-Y254 PolarHBondContact O-N 3.05Å; K252-Y254 VanDerWaalsContact C-N 3.33Å; Y254-E256 VanDerWaalsContact C-N 3.26Å; Y254-E256 PolarHBondContact O-N 2.91Å; Y254-A257 WeakPolarHBondContact O-CB 3.24Å; Y254-A257 PolarHBondContact O-N 3.27Å; Y254-A257 VanDerWaalsContact O-N 3.15Å; Y254-M258 WeakPolarHBondContact O-CG 3.27Å; Y254-M258 PolarHBondContact O-N 3.43Å; Y254-I272 HydrophobicContact CD1-CG2 4.27Å; Y254-I272 HydrophobicContact CD2-CG2 3.67Å; Y254-I272 HydrophobicContact CE1-CG2 4.37Å; Y254-I272 HydrophobicContact CE2-CG2 3.81Å; Y254-I272 WeakPolarHBondContact CE2-O 3.3Å; Y254-I272 HydrophobicContact CG-CG2 3.92Å; Y254-A273 VanDerWaalsContact OH-CA 3.29Å; Y254-A273 WeakPolarHBondContact OH-CA 3.48Å; Y254-W344 HydrophobicContact CD1-CH2 4.4Å; Y254-W344 AromaticContact CD1-CZ2 3.95Å; Y254-W344 HydrophobicContact CD1-CZ2 3.95Å; Y254-W344 HydrophobicContact CE1-CH2 4.04Å; Y254-W344 HydrophobicContact CE1-CZ2 4.03Å
255	V	98.9	Very high	98.6	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-66.7	-28.3	175.9	-63.6	0	0	0	0	112.8	D34 L38 A251 K252 M258 W259	D34-V255 HydrophobicContact CB-CG1 4.04Å; D34-V255 WeakPolarHBondContact O-CG1 3.39Å; L38-V255 HydrophobicContact CB-CB 4.08Å; L38-V255 HydrophobicContact CB-CG1 4Å; L38-V255 HydrophobicContact CD1-CB 4.17Å; A251-V255 PolarHBondContact O-N 2.76Å; A251-V255 VanDerWaalsContact O-N 3.14Å; K252-V255 VanDerWaalsContact O-CG2 3.22Å; K252-V255 WeakPolarHBondContact O-CG2 3.48Å; V255-M258 HydrophobicContact CB-SD 4.4Å; V255-M258 HydrophobicContact CG1-CE 4.19Å; V255-M258 HydrophobicContact CG1-SD 4.12Å; V255-M258 WeakPolarHBondContact O-CB 3.25Å; V255-M258 PolarHBondContact O-N 2.87Å; V255-W259 PolarHBondContact O-N 3.39Å
256	E	98.9	Very high	98.6	Very high	76 Å²	76	35.6 Å²	35.6	36%	0.355	17%	0.167	S	C	.	.	H	α-helix	trans	-64.6	-41.7	171.5	175.5	168.5	-152.5	0	0	111	F41 Y254 M258 W259 L260	F41-E256 HydrophobicContact CE2-CB 3.85Å; F41-E256 HydrophobicContact CE2-CG 3.97Å; F41-E256 HydrophobicContact CZ-CB 3.99Å; F41-E256 HydrophobicContact CZ-CG 3.85Å; Y254-E256 VanDerWaalsContact C-N 3.26Å; Y254-E256 PolarHBondContact O-N 2.91Å; E256-M258 VanDerWaalsContact C-N 3.31Å; E256-M258 PolarHBondContact O-N 3.13Å; E256-W259 PolarHBondContact O-N 2.98Å; E256-L260 HydrophobicContact CG-CD1 3.99Å; E256-L260 HydrophobicContact CG-CG 4.28Å; E256-L260 WeakPolarHBondContact O-CG 3.49Å; E256-L260 PolarHBondContact O-N 3.38Å
257	A	98.9	Very high	98.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.2	-41.7	174.3	0	0	0	0	0	112	Y254 W259 L260 M261 I272 W344	Y254-A257 WeakPolarHBondContact O-CB 3.24Å; Y254-A257 PolarHBondContact O-N 3.27Å; Y254-A257 VanDerWaalsContact O-N 3.15Å; A257-W259 VanDerWaalsContact C-N 3.27Å; A257-W259 PolarHBondContact O-N 3.29Å; A257-L260 PolarHBondContact O-N 3.16Å; A257-M261 HydrophobicContact CB-CE 4.24Å; A257-M261 VanDerWaalsContact O-CG 3.29Å; A257-M261 WeakPolarHBondContact O-CG 3.42Å; A257-M261 PolarHBondContact O-N 3.41Å; A257-I272 HydrophobicContact CB-CD1 3.65Å; A257-I272 HydrophobicContact CB-CG1 3.87Å; A257-I272 HydrophobicContact CB-CG2 4Å; A257-W344 HydrophobicContact CB-CD2 4.11Å; A257-W344 HydrophobicContact CB-CG 3.98Å
258	M	98.9	Very high	98.6	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-56	-45.2	176.5	-52.8	179.2	180	0	0	111.2	D34 L38 Y105 L107 Y150 L205 Y254 V255 E256	D34-M258 HydrophobicContact CB-CE 4.07Å; L38-M258 HydrophobicContact CD2-SD 4.49Å; Y105-M258 HydrophobicContact CD1-CB 4.33Å; Y105-M258 HydrophobicContact CE1-CB 4.13Å; L107-M258 HydrophobicContact CD1-SD 4.4Å; L107-M258 HydrophobicContact CD2-CE 4.37Å; L107-M258 HydrophobicContact CD2-SD 3.95Å; Y150-M258 HydrophobicContact CD1-CB 4.48Å; Y150-M258 HydrophobicContact CD2-CB 4.06Å; Y150-M258 HydrophobicContact CE1-CB 4.23Å; Y150-M258 HydrophobicContact CE1-CE 4.44Å; Y150-M258 HydrophobicContact CE1-CG 3.9Å; Y150-M258 HydrophobicContact CE1-SD 3.87Å; Y150-M258 HydrophobicContact CE2-CB 3.79Å; Y150-M258 HydrophobicContact CE2-CG 3.84Å; Y150-M258 HydrophobicContact CG-CB 4.41Å; Y150-M258 VanDerWaalsContact CZ-CG 3.48Å; Y150-M258 WeakPolarHBondContact OH-CG 3.48Å; L205-M258 HydrophobicContact CD2-CE 3.39Å; L205-M258 HydrophobicContact CD2-CG 4.41Å; Y254-M258 WeakPolarHBondContact O-CG 3.27Å; Y254-M258 PolarHBondContact O-N 3.43Å; V255-M258 HydrophobicContact CB-SD 4.4Å; V255-M258 HydrophobicContact CG1-CE 4.19Å; V255-M258 HydrophobicContact CG1-SD 4.12Å; V255-M258 WeakPolarHBondContact O-CB 3.25Å; V255-M258 PolarHBondContact O-N 2.87Å; E256-M258 VanDerWaalsContact C-N 3.31Å; E256-M258 PolarHBondContact O-N 3.13Å
259	W	98.9	Very high	98.6	Very high	40 Å²	40	38.3 Å²	38.3	15%	0.152	18%	0.184	C	C	.	.	H	α-helix	trans	-68	-45.4	178.1	175.1	79.7	0	0	0	112.2	F41 L42 K45 Y47 V255 E256 A257 M261 L262 Q263	F41-W259 HydrophobicContact CD1-CB 4.28Å; F41-W259 HydrophobicContact CD1-CG 4.4Å; F41-W259 HydrophobicContact CE1-CB 3.61Å; F41-W259 AromaticContact CE1-CD2 3.67Å; F41-W259 HydrophobicContact CE1-CD2 3.67Å; F41-W259 AromaticContact CE1-CE3 3.87Å; F41-W259 HydrophobicContact CE1-CE3 3.87Å; F41-W259 AromaticContact CE1-CG 3.57Å; F41-W259 HydrophobicContact CE1-CG 3.57Å; F41-W259 HydrophobicContact CZ-CB 4.43Å; F41-W259 HydrophobicContact CZ-CD2 4.19Å; F41-W259 AromaticContact CZ-CE3 3.89Å; F41-W259 HydrophobicContact CZ-CE3 3.89Å; F41-W259 HydrophobicContact CZ-CG 4.44Å; L42-W259 HydrophobicContact CD2-CG 4.26Å; K45-W259 HydrophobicContact CD-CD2 4.23Å; K45-W259 HydrophobicContact CD-CH2 4.25Å; K45-W259 HydrophobicContact CD-CZ2 3.76Å; Y47-W259 AromaticContact CE2-NE1 3.98Å; Y47-W259 AromaticContact CZ-NE1 3.71Å; Y47-W259 PolarHBondContact OH-NE1 2.88Å; V255-W259 PolarHBondContact O-N 3.39Å; E256-W259 PolarHBondContact O-N 2.98Å; A257-W259 VanDerWaalsContact C-N 3.27Å; A257-W259 PolarHBondContact O-N 3.29Å; W259-M261 VanDerWaalsContact C-N 3.28Å; W259-M261 PolarHBondContact O-N 2.93Å; W259-L262 PolarHBondContact O-N 3.24Å; W259-Q263 HydrophobicContact CD2-CG 3.82Å; W259-Q263 HydrophobicContact CE3-CG 4.1Å; W259-Q263 HydrophobicContact CG-CG 4.45Å; W259-Q263 HydrophobicContact CH2-CG 3.84Å; W259-Q263 HydrophobicContact CZ2-CG 3.55Å; W259-Q263 HydrophobicContact CZ3-CG 4.11Å; W259-Q263 VanDerWaalsContact NE1-NE2 3.19Å; W259-Q263 WeakPolarHBondContact O-CG 3.45Å; W259-Q263 PolarHBondContact O-N 3.05Å; W259-Q263 PolarHBondContact O-NE2 3.36Å
260	L	98.9	Very high	98.6	Very high	34 Å²	34	38.4 Å²	38.4	18%	0.178	18%	0.184	C	C	.	.	H	α-helix	trans	-56.6	-40.5	178.3	-73.7	170.6	0	0	0	112.2	E256 A257 L262 Q263 S264 L342 W344	E256-L260 HydrophobicContact CG-CD1 3.99Å; E256-L260 HydrophobicContact CG-CG 4.28Å; E256-L260 WeakPolarHBondContact O-CG 3.49Å; E256-L260 PolarHBondContact O-N 3.38Å; A257-L260 PolarHBondContact O-N 3.16Å; L260-L262 VanDerWaalsContact C-N 3.25Å; L260-L262 PolarHBondContact O-N 3.48Å; L260-Q263 PolarHBondContact O-N 3.24Å; L260-S264 PolarHBondContact O-N 2.91Å; L260-L342 HydrophobicContact CB-CB 4.26Å; L260-L342 HydrophobicContact CB-CD1 4.45Å; L260-L342 HydrophobicContact CD1-CB 4.45Å; L260-W344 HydrophobicContact CD1-CB 3.96Å; L260-W344 HydrophobicContact CD1-CG 4.41Å
261	M	98.9	Very high	98.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.5	-37.1	176.1	-66.7	175.2	-156.5	0	0	112.5	Y150 V201 L205 A257 W259 Q263 S264 F270 I272 L342	Y150-M261 HydrophobicContact CD2-SD 4.2Å; Y150-M261 HydrophobicContact CE2-SD 3.77Å; V201-M261 HydrophobicContact CG2-CB 4.02Å; L205-M261 HydrophobicContact CD1-CE 4.34Å; A257-M261 HydrophobicContact CB-CE 4.24Å; A257-M261 VanDerWaalsContact O-CG 3.29Å; A257-M261 WeakPolarHBondContact O-CG 3.42Å; A257-M261 PolarHBondContact O-N 3.41Å; W259-M261 VanDerWaalsContact C-N 3.28Å; W259-M261 PolarHBondContact O-N 2.93Å; M261-Q263 VanDerWaalsContact C-N 3.29Å; M261-S264 WeakPolarHBondContact O-CB 3.14Å; M261-S264 PolarHBondContact O-OG 3.06Å; M261-F270 HydrophobicContact CE-CB 3.74Å; M261-F270 HydrophobicContact CE-CG 4.5Å; M261-F270 HydrophobicContact CG-CD2 3.72Å; M261-F270 HydrophobicContact CG-CE2 4.3Å; M261-F270 HydrophobicContact CG-CG 4.4Å; M261-F270 HydrophobicContact SD-CB 4.23Å; M261-F270 HydrophobicContact SD-CD2 4.11Å; M261-I272 HydrophobicContact CE-CD1 3.65Å; M261-I272 HydrophobicContact CE-CG1 3.31Å; M261-L342 HydrophobicContact CG-CD1 3.75Å
262	L	98.8	Very high	98.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-78.1	-12.8	176.1	-59.3	-165.2	0	0	0	113.1	E103 Y105 K148 F199 V201 W259 L260	E103-L262 HydrophobicContact CB-CD1 3.97Å; E103-L262 HydrophobicContact CG-CD1 4.02Å; Y105-L262 HydrophobicContact CD1-CD1 4.31Å; Y105-L262 HydrophobicContact CE1-CD1 3.63Å; Y105-L262 HydrophobicContact CE1-CG 4.23Å; Y105-L262 HydrophobicContact CE2-CD1 4.12Å; K148-L262 HydrophobicContact CB-CB 4.43Å; K148-L262 HydrophobicContact CB-CD1 4.27Å; K148-L262 HydrophobicContact CB-CD2 4.14Å; K148-L262 HydrophobicContact CD-CB 4.34Å; K148-L262 WeakPolarHBondContact CD-O 3.43Å; K148-L262 WeakPolarHBondContact CE-O 3.46Å; K148-L262 PolarHBondContact NZ-O 3.11Å; F199-L262 HydrophobicContact CD1-CD2 4.32Å; F199-L262 HydrophobicContact CE1-CD2 3.99Å; V201-L262 HydrophobicContact CG2-CD2 3.61Å; W259-L262 PolarHBondContact O-N 3.24Å; L260-L262 VanDerWaalsContact C-N 3.25Å; L260-L262 PolarHBondContact O-N 3.48Å
263	Q	98.5	Very high	98.6	Very high	70 Å²	70	32.1 Å²	32.1	33%	0.327	16%	0.157	S	C	.	.	H	α-helix	trans	-87.9	-13.8	175.2	-55.4	-38.6	-63.7	0	0	113.2	E103 W259 L260 M261	E103-Q263 PolarHBondContact OE1-NE2 2.92Å; W259-Q263 HydrophobicContact CD2-CG 3.82Å; W259-Q263 HydrophobicContact CE3-CG 4.1Å; W259-Q263 HydrophobicContact CG-CG 4.45Å; W259-Q263 HydrophobicContact CH2-CG 3.84Å; W259-Q263 HydrophobicContact CZ2-CG 3.55Å; W259-Q263 HydrophobicContact CZ3-CG 4.11Å; W259-Q263 VanDerWaalsContact NE1-NE2 3.19Å; W259-Q263 WeakPolarHBondContact O-CG 3.45Å; W259-Q263 PolarHBondContact O-N 3.05Å; W259-Q263 PolarHBondContact O-NE2 3.36Å; L260-Q263 PolarHBondContact O-N 3.24Å; M261-Q263 VanDerWaalsContact C-N 3.29Å
264	S	97.3	Very high	98.6	Very high	26 Å²	26	32.8 Å²	32.8	18%	0.182	16%	0.161	C	C	.	.	S	Bend	trans	-56.3	152	174.4	-58.3	0	0	0	0	112.6	K148 F199 L260 M261 E266 L342	K148-S264 PolarHBondContact NZ-O 3.03Å; K148-S264 VanDerWaalsContact NZ-O 3.15Å; F199-S264 VanDerWaalsContact CE2-O 3.32Å; F199-S264 WeakPolarHBondContact CE2-O 3.49Å; F199-S264 WeakPolarHBondContact CZ-O 3.38Å; L260-S264 PolarHBondContact O-N 2.91Å; M261-S264 WeakPolarHBondContact O-CB 3.14Å; M261-S264 PolarHBondContact O-OG 3.06Å; S264-E266 WeakPolarHBondContact CB-O 3.4Å; S264-L342 VanDerWaalsContact OG-CD2 3.28Å; S264-L342 WeakPolarHBondContact OG-CD2 3.42Å
265	E	96.4	Very high	98.6	Very high	185 Å²	185	34 Å²	34	86%	0.864	17%	0.174	S	C	*	.	S	Bend	trans	-64.5	-47	174	-66	-174.7	168.8	0	0	110.9
266	E	97.8	Very high	98.5	Very high	144 Å²	144	38.8 Å²	38.8	67%	0.673	20%	0.197	S	C	*	.	S	Bend	trans	-113.9	144.3	-179.8	-64.4	-60.9	150.5	0	0	111.5	S264	S264-E266 WeakPolarHBondContact CB-O 3.4Å
267	P	98.6	Very high	98.5	Very high	29 Å²	29	37.2 Å²	37.2	19%	0.188	19%	0.192	C	C	.	.			trans	-73.1	127.5	175.9	30.8	-34	0	0	0	110.9	R193 F199 V201	R193-P267 HydrophobicContact CG-CG 4.1Å; F199-P267 HydrophobicContact CD1-CB 4.01Å; F199-P267 HydrophobicContact CD2-CB 4.1Å; F199-P267 HydrophobicContact CD2-CG 4.25Å; F199-P267 HydrophobicContact CE1-CB 4.1Å; F199-P267 HydrophobicContact CE2-CB 4.22Å; F199-P267 HydrophobicContact CG-CB 4Å; F199-P267 HydrophobicContact CG-CG 4.4Å; F199-P267 HydrophobicContact CZ-CB 4.21Å; V201-P267 HydrophobicContact CG1-CB 3.75Å
268	D	98.5	Very high	98.5	Very high	40 Å²	40	38.4 Å²	38.4	21%	0.214	20%	0.198	C	C	.	.			trans	-147.4	157.3	179.6	-162.5	-1.2	0	0	0	109.9	V201 F270 K337 K341	V201-D268 WeakPolarHBondContact CB-O 3.48Å; V201-D268 WeakPolarHBondContact CG1-O 3.36Å; D268-F270 HydrophobicContact CB-CE2 3.74Å; D268-F270 HydrophobicContact CB-CZ 3.94Å; D268-F270 VanDerWaalsContact O-CD2 3.25Å; D268-F270 WeakPolarHBondContact O-CD2 3.45Å; D268-F270 VanDerWaalsContact O-CE2 3.28Å; D268-F270 WeakPolarHBondContact O-CE2 3.33Å; D268-K337 IonicContact OD1-NZ 2.75Å; D268-K337 PolarHBondContact OD1-NZ 3.26Å; D268-K337 WeakPolarHBondContact OD2-CE 3.47Å; D268-K337 IonicContact OD2-NZ 3.31Å; D268-K337 PolarHBondContact OD2-NZ 3.36Å; D268-K341 IonicContact OD2-NZ 2.92Å; D268-K341 PolarHBondContact OD2-NZ 3.1Å
269	D	98.9	Very high	98.5	Very high	9 Å²	9	39.3 Å²	39.3	5%	0.048	20%	0.204	C	C	.	.			trans	-96	143.5	-178.6	-56.2	-39.9	0	0	0	110.2	E168 Y186 R193 N202 K337	E168-D269 WeakPolarHBondContact CG-O 3.44Å; Y186-D269 PolarHBondContact OH-OD2 2.93Å; R193-D269 IonicContact CZ-OD1 3.1Å; R193-D269 IonicContact CZ-OD2 3.58Å; R193-D269 IonicContact NH1-OD1 3.22Å; R193-D269 PolarHBondContact NH1-OD1 3.08Å; R193-D269 IonicContact NH1-OD2 3.04Å; R193-D269 PolarHBondContact NH1-OD2 3.34Å; R193-D269 IonicContact NH2-OD1 2.92Å; R193-D269 IonicContact NH2-OD2 3.48Å; R193-D269 PolarHBondContact NH2-OD2 2.63Å; N202-D269 HydrophobicContact CB-CB 4.19Å; N202-D269 VanDerWaalsContact CB-OD1 3.3Å; N202-D269 WeakPolarHBondContact CB-OD1 3.46Å; N202-D269 PolarHBondContact N-OD1 3.12Å; N202-D269 PolarHBondContact ND2-OD1 2.95Å; N202-D269 WeakPolarHBondContact O-CA 3.4Å; D269-K337 PolarHBondContact O-NZ 3.18Å
270	F	98.9	Very high	98.5	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	134.5	-172.2	-66.5	-87.4	0	0	0	112.7	N202 I204 M261 D268 I272 K337 A338 K341 L342	N202-F270 PolarHBondContact O-N 3.25Å; N202-F270 VanDerWaalsContact O-N 3.16Å; I204-F270 PolarHBondContact N-O 3.3Å; M261-F270 HydrophobicContact CE-CB 3.74Å; M261-F270 HydrophobicContact CE-CG 4.5Å; M261-F270 HydrophobicContact CG-CD2 3.72Å; M261-F270 HydrophobicContact CG-CE2 4.3Å; M261-F270 HydrophobicContact CG-CG 4.4Å; M261-F270 HydrophobicContact SD-CB 4.23Å; M261-F270 HydrophobicContact SD-CD2 4.11Å; D268-F270 HydrophobicContact CB-CE2 3.74Å; D268-F270 HydrophobicContact CB-CZ 3.94Å; D268-F270 VanDerWaalsContact O-CD2 3.25Å; D268-F270 WeakPolarHBondContact O-CD2 3.45Å; D268-F270 VanDerWaalsContact O-CE2 3.28Å; D268-F270 WeakPolarHBondContact O-CE2 3.33Å; F270-I272 HydrophobicContact CB-CD1 4.43Å; F270-K337 HydrophobicContact CD1-CB 4.43Å; F270-K337 HydrophobicContact CD1-CD 3.87Å; F270-K337 HydrophobicContact CD1-CG 3.91Å; F270-K337 HydrophobicContact CE1-CD 3.98Å; F270-K337 HydrophobicContact CE1-CG 3.82Å; F270-A338 HydrophobicContact CD1-CB 4.24Å; F270-K341 HydrophobicContact CE1-CB 3.87Å; F270-K341 HydrophobicContact CE1-CD 3.89Å; F270-K341 HydrophobicContact CE1-CG 4.34Å; F270-K341 HydrophobicContact CZ-CB 4.19Å; F270-K341 HydrophobicContact CZ-CD 3.99Å; F270-L342 HydrophobicContact CD1-CD1 4.06Å; F270-L342 HydrophobicContact CD1-CG 4.38Å; F270-L342 HydrophobicContact CD2-CD1 4.16Å; F270-L342 HydrophobicContact CE1-CD1 4.18Å; F270-L342 HydrophobicContact CE1-CD2 4.32Å; F270-L342 HydrophobicContact CE1-CG 4.05Å; F270-L342 HydrophobicContact CE2-CD1 4.28Å; F270-L342 HydrophobicContact CE2-CD2 4.23Å; F270-L342 HydrophobicContact CG-CD1 4.04Å; F270-L342 HydrophobicContact CZ-CD1 4.29Å; F270-L342 HydrophobicContact CZ-CD2 3.92Å; F270-L342 HydrophobicContact CZ-CG 4.14Å
271	V	98.9	Very high	98.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	128.6	163.8	167.1	0	0	0	0	109.5	Y158 E168 I204 F206 A273 D334 S335	Y158-V271 WeakPolarHBondContact OH-CG2 3.45Å; E168-V271 HydrophobicContact CG-CG2 4.2Å; E168-V271 PolarHBondContact OE1-N 3.36Å; I204-V271 HydrophobicContact CB-CG2 4.11Å; I204-V271 HydrophobicContact CD1-CG2 4.3Å; I204-V271 HydrophobicContact CG2-CG2 4.25Å; I204-V271 WeakPolarHBondContact O-CA 3.22Å; F206-V271 HydrophobicContact CD2-CG1 3.98Å; F206-V271 HydrophobicContact CE2-CG1 3.62Å; V271-A273 HydrophobicContact CG1-CB 4.16Å; V271-D334 WeakPolarHBondContact CG1-O 3.43Å; V271-S335 WeakPolarHBondContact O-CB 3.36Å
272	I	98.9	Very high	98.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	114.4	176.4	-58.9	-60	0	0	0	107.7	I204 L205 F206 Y254 A257 M261 F270 A338 W344	I204-I272 PolarHBondContact O-N 2.95Å; L205-I272 HydrophobicContact CD1-CB 3.8Å; L205-I272 HydrophobicContact CD1-CG1 3.79Å; L205-I272 HydrophobicContact CD1-CG2 4.46Å; L205-I272 HydrophobicContact CG-CB 3.88Å; L205-I272 HydrophobicContact CG-CG1 4.39Å; L205-I272 HydrophobicContact CG-CG2 4.17Å; F206-I272 PolarHBondContact N-O 3.42Å; Y254-I272 HydrophobicContact CD1-CG2 4.27Å; Y254-I272 HydrophobicContact CD2-CG2 3.67Å; Y254-I272 HydrophobicContact CE1-CG2 4.37Å; Y254-I272 HydrophobicContact CE2-CG2 3.81Å; Y254-I272 WeakPolarHBondContact CE2-O 3.3Å; Y254-I272 HydrophobicContact CG-CG2 3.92Å; A257-I272 HydrophobicContact CB-CD1 3.65Å; A257-I272 HydrophobicContact CB-CG1 3.87Å; A257-I272 HydrophobicContact CB-CG2 4Å; M261-I272 HydrophobicContact CE-CD1 3.65Å; M261-I272 HydrophobicContact CE-CG1 3.31Å; F270-I272 HydrophobicContact CB-CD1 4.43Å; I272-A338 HydrophobicContact CD1-CB 3.5Å; I272-A338 VanDerWaalsContact CD1-CB 3.5Å; I272-W344 HydrophobicContact CD1-CD2 4.2Å; I272-W344 HydrophobicContact CD1-CE3 3.92Å; I272-W344 HydrophobicContact CD1-CZ3 4.29Å; I272-W344 HydrophobicContact CG2-CD2 4.42Å; I272-W344 HydrophobicContact CG2-CE3 4.26Å; I272-W344 HydrophobicContact CG2-CH2 3.38Å; I272-W344 HydrophobicContact CG2-CZ2 3.53Å; I272-W344 HydrophobicContact CG2-CZ3 3.77Å
273	A	98.9	Very high	98.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.			trans	-155.4	167.6	-168.7	0	0	0	0	0	110.6	F206 Y254 V271 S335 W344	F206-A273 HydrophobicContact CB-CB 3.98Å; F206-A273 HydrophobicContact CD2-CB 3.68Å; F206-A273 HydrophobicContact CE2-CB 4.37Å; F206-A273 HydrophobicContact CG-CB 3.79Å; Y254-A273 VanDerWaalsContact OH-CA 3.29Å; Y254-A273 WeakPolarHBondContact OH-CA 3.48Å; V271-A273 HydrophobicContact CG1-CB 4.16Å; A273-S335 PolarHBondContact O-OG 2.85Å; A273-W344 WeakPolarHBondContact O-CH2 3.44Å; A273-W344 WeakPolarHBondContact O-CZ3 3.49Å
274	T	98.8	Very high	98.5	Very high	30 Å²	30	36.9 Å²	36.9	18%	0.184	19%	0.192	C	C	.	.			trans	-88.3	-29.3	170.6	70.1	0	0	0	0	112.5	D247 G249 E276 P346	D247-T274 VanDerWaalsContact CG-OG1 3.24Å; D247-T274 WeakPolarHBondContact OD1-CB 3.14Å; D247-T274 PolarHBondContact OD1-N 3.3Å; D247-T274 PolarHBondContact OD1-OG1 3.04Å; D247-T274 PolarHBondContact OD2-N 3.08Å; G249-T274 VanDerWaalsContact CA-CG2 3.47Å; T274-E276 PolarHBondContact OG1-N 2.82Å; T274-E276 VanDerWaalsContact OG1-N 3.1Å; T274-E276 PolarHBondContact OG1-O 3.33Å; T274-P346 HydrophobicContact CG2-CB 4.28Å
275	G	98.4	Very high	98.5	Very high	26 Å²	26	39 Å²	39	27%	0.268	20%	0.199	S	C	.	.	S	Bend	trans	81.7	-6.1	-170.2	0	0	0	0	0	113.7	D247 Q332 G333	D247-G275 WeakPolarHBondContact OD2-CA 3.12Å; D247-G275 PolarHBondContact OD2-N 2.94Å; G275-Q332 PolarHBondContact O-NE2 3.16Å; G275-G333 WeakPolarHBondContact CA-O 3.36Å
276	E	98.1	Very high	98.6	Very high	102 Å²	102	33.4 Å²	33.4	48%	0.477	17%	0.172	S	C	.	.			trans	-99.5	144.1	176.7	-63.2	-174.1	164.8	0	0	110.3	D247 T274	D247-E276 WeakPolarHBondContact CA-O 3.35Å; D247-E276 WeakPolarHBondContact CB-O 3.42Å; T274-E276 PolarHBondContact OG1-N 2.82Å; T274-E276 VanDerWaalsContact OG1-N 3.1Å; T274-E276 PolarHBondContact OG1-O 3.33Å
277	V	98.3	Very high	98.7	Very high	42 Å²	42	26.6 Å²	26.6	26%	0.255	14%	0.141	S	C	.	.			trans	-129.7	128	-174.3	66.3	0	0	0	0	111.3	K245 R246 F330	K245-V277 HydrophobicContact CB-CG2 3.73Å; K245-V277 HydrophobicContact CG-CG2 4.48Å; R246-V277 WeakPolarHBondContact O-CA 3.47Å; V277-F330 HydrophobicContact CB-CE2 4.35Å; V277-F330 HydrophobicContact CB-CZ 4.38Å; V277-F330 HydrophobicContact CG1-CE2 3.89Å; V277-F330 HydrophobicContact CG1-CZ 3.96Å; V277-F330 HydrophobicContact CG2-CD2 4.25Å; V277-F330 HydrophobicContact CG2-CE2 3.75Å; V277-F330 HydrophobicContact CG2-CZ 4.12Å
278	H	98.8	Very high	98.7	Very high	26 Å²	26	25.2 Å²	25.2	12%	0.12	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154.4	-179.8	-63.3	-81.3	0	0	0	110.7	K245 R246 W248 E282 F350	K245-H278 CarbonylContact C-O 3.58Å; K245-H278 VanDerWaalsContact CA-O 3.31Å; K245-H278 WeakPolarHBondContact CA-O 3.48Å; R246-H278 PolarHBondContact N-O 3.34Å; R246-H278 PolarHBondContact O-N 3.11Å; W248-H278 HydrophobicContact CE3-CB 4.08Å; W248-H278 HydrophobicContact CZ3-CB 3.95Å; W248-H278 VanDerWaalsContact CZ3-O 3.28Å; W248-H278 WeakPolarHBondContact CZ3-O 3.28Å; H278-E282 IonicContact CE1-OE1 3.54Å; H278-E282 IonicContact CE1-OE2 3.43Å; H278-E282 IonicContact CG-OE2 3.33Å; H278-E282 IonicContact ND1-OE1 2.67Å; H278-E282 PolarHBondContact ND1-OE1 2.96Å; H278-E282 IonicContact ND1-OE2 3.18Å; H278-E282 PolarHBondContact ND1-OE2 3.04Å; H278-F350 HydrophobicContact CB-CD1 4.39Å; H278-F350 HydrophobicContact CB-CD2 4.26Å; H278-F350 HydrophobicContact CB-CE1 3.97Å; H278-F350 HydrophobicContact CB-CE2 3.84Å; H278-F350 HydrophobicContact CB-CZ 3.68Å; H278-F350 AromaticContact CD2-CD1 3.6Å; H278-F350 AromaticContact CD2-CD2 3.68Å; H278-F350 AromaticContact CD2-CG 3.38Å; H278-F350 WeakPolarHBondContact CD2-CG 3.36Å; H278-F350 AromaticContact CE1-CD1 3.59Å; H278-F350 AromaticContact CG-CD1 3.61Å; H278-F350 AromaticContact CG-CD2 3.99Å; H278-F350 AromaticContact CG-CE1 3.62Å; H278-F350 AromaticContact CG-CE2 4Å; H278-F350 AromaticContact CG-CG 3.8Å; H278-F350 AromaticContact CG-CZ 3.82Å; H278-F350 AromaticContact ND1-CD1 3.62Å; H278-F350 AromaticContact ND1-CE1 3.65Å; H278-F350 AromaticContact NE2-CD1 3.6Å; H278-F350 AromaticContact NE2-CG 3.59Å
279	S	98.7	Very high	98.7	Very high	20 Å²	20	30.9 Å²	30.9	14%	0.14	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	158.6	176.1	63.4	0	0	0	0	111.8	S244 R281 E282 F283	S244-S279 CarbonylContact O-C 3.58Å; S244-S279 WeakPolarHBondContact O-CA 3.46Å; S279-R281 PolarHBondContact O-N 3.49Å; S279-E282 PolarHBondContact O-N 3.29Å; S279-E282 WeakPolarHBondContact OG-CB 3.33Å; S279-E282 PolarHBondContact OG-N 3.42Å; S279-F283 PolarHBondContact O-N 3.33Å; S279-F283 VanDerWaalsContact O-N 3.08Å
280	V	98.6	Very high	98.6	Very high	8 Å²	8	34.1 Å²	34.1	5%	0.048	17%	0.169	C	C	.	.	H	α-helix	trans	-57.5	-39.5	169.2	172.4	0	0	0	0	110.7	V218 I222 L239 L242 S244 W248 E282 F283 V284	V218-V280 HydrophobicContact CG1-CG2 4.46Å; V218-V280 HydrophobicContact CG2-CG1 3.7Å; V218-V280 HydrophobicContact CG2-CG2 4.11Å; I222-V280 HydrophobicContact CD1-CG1 4.15Å; L239-V280 HydrophobicContact CD1-CG1 4.14Å; L242-V280 HydrophobicContact CD2-CG1 4.16Å; L242-V280 WeakPolarHBondContact O-CB 3.29Å; L242-V280 PolarHBondContact O-N 2.99Å; S244-V280 PolarHBondContact O-N 2.85Å; W248-V280 HydrophobicContact CH2-CG2 4.04Å; W248-V280 HydrophobicContact CZ2-CG2 4.39Å; V280-E282 PolarHBondContact O-N 3.39Å; V280-F283 WeakPolarHBondContact O-CB 3.31Å; V280-F283 PolarHBondContact O-N 2.94Å; V280-V284 WeakPolarHBondContact O-CG2 3.29Å; V280-V284 PolarHBondContact O-N 3.13Å; V280-V284 VanDerWaalsContact O-N 3.07Å
281	R	98.7	Very high	98.5	Very high	35 Å²	35	35 Å²	35	13%	0.132	17%	0.174	C	C	.	.	H	α-helix	trans	-54.4	-50.2	173.3	-174.7	-177.8	-59	-79.7	-1.5	112.4	L242 D243 S279 F283 V284 E285 W297 E304	L242-R281 HydrophobicContact CB-CB 4.3Å; L242-R281 WeakPolarHBondContact O-CB 3.44Å; L242-R281 PolarHBondContact O-N 3.07Å; D243-R281 IonicContact OD1-CZ 2.7Å; D243-R281 IonicContact OD1-NE 3.39Å; D243-R281 PolarHBondContact OD1-NE 3.35Å; D243-R281 IonicContact OD1-NH2 2.79Å; D243-R281 PolarHBondContact OD1-NH2 3.01Å; D243-R281 IonicContact OD2-NH2 3.67Å; S279-R281 PolarHBondContact O-N 3.49Å; R281-F283 VanDerWaalsContact C-N 3.33Å; R281-F283 PolarHBondContact O-N 3.29Å; R281-V284 WeakPolarHBondContact O-CB 3.32Å; R281-V284 PolarHBondContact O-N 2.78Å; R281-E285 WeakPolarHBondContact O-CG 3.35Å; R281-E285 PolarHBondContact O-N 2.86Å; R281-W297 HydrophobicContact CB-CZ2 4.5Å; R281-W297 HydrophobicContact CG-CD2 4.47Å; R281-W297 HydrophobicContact CG-CZ2 3.64Å; R281-E304 IonicContact CZ-OE1 3.57Å; R281-E304 VanDerWaalsContact CZ-OE1 3.22Å; R281-E304 IonicContact CZ-OE2 2.86Å; R281-E304 VanDerWaalsContact NH1-CD 3.33Å; R281-E304 IonicContact NH1-OE1 3.53Å; R281-E304 PolarHBondContact NH1-OE1 3.49Å; R281-E304 IonicContact NH1-OE2 2.76Å; R281-E304 VanDerWaalsContact NH2-CD 3.26Å; R281-E304 IonicContact NH2-OE1 3.52Å; R281-E304 PolarHBondContact NH2-OE1 3.36Å; R281-E304 IonicContact NH2-OE2 3.69Å; R281-E304 PolarHBondContact NH2-OE2 2.95Å
282	E	98.7	Very high	98.4	Very high	49 Å²	49	37.9 Å²	37.9	23%	0.229	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-38.9	179.4	-174	178.5	179.8	0	0	111.8	H278 S279 V280 V284 E285 K286 F350	H278-E282 IonicContact CE1-OE1 3.54Å; H278-E282 IonicContact CE1-OE2 3.43Å; H278-E282 IonicContact CG-OE2 3.33Å; H278-E282 IonicContact ND1-OE1 2.67Å; H278-E282 PolarHBondContact ND1-OE1 2.96Å; H278-E282 IonicContact ND1-OE2 3.18Å; H278-E282 PolarHBondContact ND1-OE2 3.04Å; S279-E282 PolarHBondContact O-N 3.29Å; S279-E282 WeakPolarHBondContact OG-CB 3.33Å; S279-E282 PolarHBondContact OG-N 3.42Å; V280-E282 PolarHBondContact O-N 3.39Å; E282-V284 VanDerWaalsContact C-N 3.31Å; E282-V284 PolarHBondContact O-N 3.08Å; E282-E285 PolarHBondContact O-N 3.39Å; E282-K286 HydrophobicContact CG-CG 4.2Å; E282-K286 WeakPolarHBondContact O-CB 3.44Å; E282-K286 WeakPolarHBondContact O-CG 2.93Å; E282-K286 PolarHBondContact O-N 2.86Å; E282-F350 HydrophobicContact CG-CE1 4.22Å
283	F	98.8	Very high	98.4	Very high	1 Å²	1	40 Å²	40	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-57.9	-45.7	173.9	-160.2	-64.7	0	0	0	111.1	T219 I222 W248 S279 V280 R281 A287 F350 V354 M357	T219-F283 HydrophobicContact CG2-CD2 3.82Å; T219-F283 HydrophobicContact CG2-CE2 3.38Å; T219-F283 HydrophobicContact CG2-CZ 3.86Å; I222-F283 HydrophobicContact CB-CD1 4.19Å; I222-F283 HydrophobicContact CB-CE1 4.38Å; I222-F283 HydrophobicContact CD1-CB 4.29Å; I222-F283 HydrophobicContact CD1-CD1 3.95Å; I222-F283 HydrophobicContact CD1-CG 4.31Å; I222-F283 HydrophobicContact CG2-CD1 3.88Å; I222-F283 HydrophobicContact CG2-CE1 4.24Å; W248-F283 HydrophobicContact CE3-CD2 4.22Å; W248-F283 HydrophobicContact CZ3-CD2 4.23Å; S279-F283 PolarHBondContact O-N 3.33Å; S279-F283 VanDerWaalsContact O-N 3.08Å; V280-F283 WeakPolarHBondContact O-CB 3.31Å; V280-F283 PolarHBondContact O-N 2.94Å; R281-F283 VanDerWaalsContact C-N 3.33Å; R281-F283 PolarHBondContact O-N 3.29Å; F283-A287 VanDerWaalsContact O-CB 3.31Å; F283-A287 WeakPolarHBondContact O-CB 3.41Å; F283-A287 PolarHBondContact O-N 3.18Å; F283-F350 HydrophobicContact CB-CZ 4.23Å; F283-F350 AromaticContact CD2-CE2 3.63Å; F283-F350 HydrophobicContact CD2-CE2 3.63Å; F283-F350 HydrophobicContact CD2-CZ 4.01Å; F283-F350 HydrophobicContact CE2-CE2 4.14Å; F283-F350 HydrophobicContact CG-CE2 4.44Å; F283-F350 HydrophobicContact CG-CZ 4.39Å; F283-V354 HydrophobicContact CD1-CG2 4.35Å; F283-V354 HydrophobicContact CD2-CG2 4.04Å; F283-V354 HydrophobicContact CE1-CG1 4.43Å; F283-V354 HydrophobicContact CE1-CG2 4.12Å; F283-V354 HydrophobicContact CE2-CG2 3.77Å; F283-V354 HydrophobicContact CG-CG2 4.3Å; F283-V354 HydrophobicContact CZ-CG2 3.81Å; F283-M357 HydrophobicContact CZ-SD 4.17Å
284	V	98.8	Very high	98.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.6	-49.8	176.3	172.3	0	0	0	0	110.9	I222 L239 V280 R281 E282 K286 A287 F288 W297 V316	I222-V284 HydrophobicContact CD1-CG2 3.59Å; I222-V284 HydrophobicContact CG1-CG2 3.88Å; I222-V284 HydrophobicContact CG2-CG2 4.17Å; L239-V284 HydrophobicContact CD1-CG2 3.66Å; V280-V284 WeakPolarHBondContact O-CG2 3.29Å; V280-V284 PolarHBondContact O-N 3.13Å; V280-V284 VanDerWaalsContact O-N 3.07Å; R281-V284 WeakPolarHBondContact O-CB 3.32Å; R281-V284 PolarHBondContact O-N 2.78Å; E282-V284 VanDerWaalsContact C-N 3.31Å; E282-V284 PolarHBondContact O-N 3.08Å; V284-K286 PolarHBondContact O-N 2.89Å; V284-A287 PolarHBondContact O-N 2.77Å; V284-F288 HydrophobicContact CG1-CD2 3.69Å; V284-F288 HydrophobicContact CG1-CE2 3.82Å; V284-F288 WeakPolarHBondContact O-CD2 3.33Å; V284-F288 PolarHBondContact O-N 3.3Å; V284-W297 HydrophobicContact CB-CH2 4.41Å; V284-W297 HydrophobicContact CB-CZ2 4.28Å; V284-W297 HydrophobicContact CG1-CH2 3.97Å; V284-W297 HydrophobicContact CG1-CZ2 4.01Å; V284-V316 HydrophobicContact CG1-CG2 3.88Å
285	E	98.8	Very high	98.3	Very high	70 Å²	70	42.6 Å²	42.6	33%	0.327	23%	0.228	S	C	.	.	H	α-helix	trans	-58.8	-47	-179.4	-70.7	167.8	178	0	0	112.1	R281 E282 F288 K289 W297	R281-E285 WeakPolarHBondContact O-CG 3.35Å; R281-E285 PolarHBondContact O-N 2.86Å; E282-E285 PolarHBondContact O-N 3.39Å; E285-F288 PolarHBondContact O-N 2.97Å; E285-K289 VanDerWaalsContact O-CB 3.28Å; E285-K289 WeakPolarHBondContact O-CB 3.19Å; E285-K289 PolarHBondContact O-N 2.75Å; E285-W297 HydrophobicContact CG-CZ2 4.45Å; E285-W297 PolarHBondContact OE1-NE1 3.08Å
286	K	98.6	Very high	98.4	Very high	69 Å²	69	44.3 Å²	44.3	30%	0.3	23%	0.234	S	C	.	.	H	α-helix	trans	-65.1	-40.5	179.3	-64.8	-91.3	-178.1	154.4	0	111.5	E282 V284 K289 H290 F350 E351 V354	E282-K286 HydrophobicContact CG-CG 4.2Å; E282-K286 WeakPolarHBondContact O-CB 3.44Å; E282-K286 WeakPolarHBondContact O-CG 2.93Å; E282-K286 PolarHBondContact O-N 2.86Å; V284-K286 PolarHBondContact O-N 2.89Å; K286-K289 PolarHBondContact O-N 2.92Å; K286-H290 PolarHBondContact O-N 3.04Å; K286-F350 HydrophobicContact CG-CE1 4.17Å; K286-E351 IonicContact NZ-OE1 2.89Å; K286-E351 PolarHBondContact NZ-OE1 2.99Å; K286-V354 HydrophobicContact CB-CG1 3.99Å
287	A	98.6	Very high	98.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-63.4	-47.2	176.1	0	0	0	0	0	112	I222 V226 F283 V284 K289 H290 V354 L358	I222-A287 HydrophobicContact CG2-CB 3.93Å; V226-A287 HydrophobicContact CG1-CB 4.47Å; V226-A287 HydrophobicContact CG2-CB 4.08Å; F283-A287 VanDerWaalsContact O-CB 3.31Å; F283-A287 WeakPolarHBondContact O-CB 3.41Å; F283-A287 PolarHBondContact O-N 3.18Å; V284-A287 PolarHBondContact O-N 2.77Å; A287-K289 PolarHBondContact O-N 2.97Å; A287-H290 PolarHBondContact O-N 2.92Å; A287-V354 HydrophobicContact CB-CG1 4.19Å; A287-L358 HydrophobicContact CB-CD2 4.35Å; A287-L358 WeakPolarHBondContact O-CD2 3.35Å
288	F	98.7	Very high	98.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.6	-38.6	176.9	-87.4	-77.4	0	0	0	112.7	V226 I229 F237 V284 E285 H290 V291 G292 K293 I295 H315 V316	V226-F288 HydrophobicContact CG1-CD1 4.34Å; V226-F288 HydrophobicContact CG1-CG 4.5Å; V226-F288 HydrophobicContact CG2-CD2 3.88Å; V226-F288 HydrophobicContact CG2-CE1 4.33Å; V226-F288 HydrophobicContact CG2-CE2 3.66Å; V226-F288 HydrophobicContact CG2-CG 4.32Å; V226-F288 HydrophobicContact CG2-CZ 3.9Å; I229-F288 HydrophobicContact CD1-CE1 4.26Å; I229-F288 HydrophobicContact CD1-CZ 3.91Å; I229-F288 HydrophobicContact CG2-CE1 4.27Å; F237-F288 HydrophobicContact CE1-CE2 4.01Å; F237-F288 HydrophobicContact CE1-CZ 4.02Å; F237-F288 HydrophobicContact CZ-CE2 4.38Å; V284-F288 HydrophobicContact CG1-CD2 3.69Å; V284-F288 HydrophobicContact CG1-CE2 3.82Å; V284-F288 WeakPolarHBondContact O-CD2 3.33Å; V284-F288 PolarHBondContact O-N 3.3Å; E285-F288 PolarHBondContact O-N 2.97Å; F288-H290 PolarHBondContact O-N 2.8Å; F288-V291 HydrophobicContact CD1-CG2 4.44Å; F288-V291 CarbonylContact O-C 3.59Å; F288-V291 WeakPolarHBondContact O-CG2 3.45Å; F288-V291 PolarHBondContact O-N 2.69Å; F288-V291 VanDerWaalsContact O-N 3.07Å; F288-G292 PolarHBondContact O-N 3.22Å; F288-K293 CarbonylContact C-O 3.23Å; F288-K293 HydrophobicContact CB-CB 4.31Å; F288-K293 HydrophobicContact CD1-CB 3.99Å; F288-K293 HydrophobicContact CD1-CD 4.04Å; F288-K293 HydrophobicContact CE1-CD 4.37Å; F288-K293 PolarHBondContact O-N 3.1Å; F288-K293 VanDerWaalsContact O-O 3.08Å; F288-I295 HydrophobicContact CB-CD1 4.27Å; F288-I295 HydrophobicContact CB-CG1 3.7Å; F288-I295 HydrophobicContact CD1-CD1 3.92Å; F288-I295 HydrophobicContact CD1-CG1 4.25Å; F288-I295 HydrophobicContact CD2-CD1 3.83Å; F288-I295 HydrophobicContact CD2-CG1 3.5Å; F288-I295 VanDerWaalsContact CD2-CG1 3.5Å; F288-I295 HydrophobicContact CE1-CD1 4.16Å; F288-I295 HydrophobicContact CE2-CD1 4.08Å; F288-I295 HydrophobicContact CE2-CG1 4.15Å; F288-I295 HydrophobicContact CG-CD1 3.74Å; F288-I295 HydrophobicContact CG-CG1 3.55Å; F288-I295 HydrophobicContact CZ-CD1 4.24Å; F288-H315 HydrophobicContact CE1-CB 3.96Å; F288-H315 AromaticContact CE1-CD2 3.9Å; F288-H315 HydrophobicContact CZ-CB 3.65Å; F288-V316 HydrophobicContact CE2-CG2 3.58Å; F288-V316 HydrophobicContact CZ-CG2 4.06Å
289	K	98.2	Very high	98.3	Very high	159 Å²	159	45 Å²	45	69%	0.691	25%	0.247	S	C	*	.	H	α-helix	trans	-58.7	-37.9	177.3	-175.9	175.9	179.7	179.6	0	111.8	E285 K286 A287 V291 G292 K293	E285-K289 VanDerWaalsContact O-CB 3.28Å; E285-K289 WeakPolarHBondContact O-CB 3.19Å; E285-K289 PolarHBondContact O-N 2.75Å; K286-K289 PolarHBondContact O-N 2.92Å; A287-K289 PolarHBondContact O-N 2.97Å; K289-V291 VanDerWaalsContact C-N 3.27Å; K289-V291 PolarHBondContact O-N 2.69Å; K289-G292 PolarHBondContact O-N 2.93Å; K289-K293 WeakPolarHBondContact CA-O 3.22Å; K289-K293 PolarHBondContact N-O 3.19Å
290	H	97.1	Very high	98.1	Very high	77 Å²	77	51.6 Å²	51.6	36%	0.356	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-29.2	178.1	-175.8	88.2	0	0	0	113.1	K286 A287 F288 G292 L358 E359	K286-H290 PolarHBondContact O-N 3.04Å; A287-H290 PolarHBondContact O-N 2.92Å; F288-H290 PolarHBondContact O-N 2.8Å; H290-G292 VanDerWaalsContact C-N 3.32Å; H290-L358 HydrophobicContact CB-CD2 3.58Å; H290-L358 VanDerWaalsContact CD2-CD2 3.45Å; H290-L358 WeakPolarHBondContact CD2-CD2 3.5Å; H290-E359 IonicContact CE1-OE1 3.94Å; H290-E359 PolarHBondContact CE1-OE1 3.36Å; H290-E359 IonicContact NE2-OE1 3.41Å
291	V	97.3	Very high	97.8	Very high	20 Å²	20	57 Å²	57	12%	0.121	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	18.2	172.8	-62.4	0	0	0	0	113.4	V226 H230 F288 K289 K293 L358 I362	V226-V291 HydrophobicContact CG1-CG1 4.22Å; V226-V291 HydrophobicContact CG1-CG2 3.7Å; H230-V291 HydrophobicContact CB-CB 4.06Å; H230-V291 HydrophobicContact CB-CG1 3.8Å; H230-V291 HydrophobicContact CB-CG2 4.43Å; F288-V291 HydrophobicContact CD1-CG2 4.44Å; F288-V291 CarbonylContact O-C 3.59Å; F288-V291 WeakPolarHBondContact O-CG2 3.45Å; F288-V291 PolarHBondContact O-N 2.69Å; F288-V291 VanDerWaalsContact O-N 3.07Å; K289-V291 VanDerWaalsContact C-N 3.27Å; K289-V291 PolarHBondContact O-N 2.69Å; V291-K293 HydrophobicContact CG2-CD 4.35Å; V291-K293 HydrophobicContact CG2-CG 4.43Å; V291-L358 HydrophobicContact CG1-CD1 4.48Å; V291-L358 HydrophobicContact CG1-CD2 4.13Å; V291-I362 HydrophobicContact CG1-CD1 3.86Å
292	G	97.3	Very high	97.6	Very high	61 Å²	61	60.3 Å²	60.3	63%	0.629	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	27.7	175.1	0	0	0	0	0	114.6	F288 K289 H290	F288-G292 PolarHBondContact O-N 3.22Å; K289-G292 PolarHBondContact O-N 2.93Å; H290-G292 VanDerWaalsContact C-N 3.32Å
293	K	98	Very high	97.5	Very high	45 Å²	45	63.6 Å²	63.6	20%	0.196	34%	0.338	C	S	.	.			trans	-120.7	133.4	178.2	-65.4	179.3	-179.3	-66.9	0	110.6	F288 K289 V291	F288-K293 CarbonylContact C-O 3.23Å; F288-K293 HydrophobicContact CB-CB 4.31Å; F288-K293 HydrophobicContact CD1-CB 3.99Å; F288-K293 HydrophobicContact CD1-CD 4.04Å; F288-K293 HydrophobicContact CE1-CD 4.37Å; F288-K293 PolarHBondContact O-N 3.1Å; F288-K293 VanDerWaalsContact O-O 3.08Å; K289-K293 WeakPolarHBondContact CA-O 3.22Å; K289-K293 PolarHBondContact N-O 3.19Å; V291-K293 HydrophobicContact CG2-CD 4.35Å; V291-K293 HydrophobicContact CG2-CG 4.43Å
294	T	98.5	Very high	97.5	Very high	69 Å²	69	64.8 Å²	64.8	42%	0.423	34%	0.343	S	S	.	.			trans	-100.4	123.6	175.1	-49.2	0	0	0	0	109.6	C308 K309 E310	T294-C308 CarbonylContact O-C 3.15Å; T294-C308 WeakPolarHBondContact O-CA 3.34Å; T294-K309 PolarHBondContact O-N 2.71Å; T294-E310 WeakPolarHBondContact CB-OE1 3.38Å; T294-E310 PolarHBondContact N-OE1 3.3Å; T294-E310 VanDerWaalsContact N-OE1 3.14Å; T294-E310 PolarHBondContact N-OE2 3.43Å; T294-E310 PolarHBondContact OG1-OE1 3.17Å
295	I	98.5	Very high	97.5	Very high	14 Å²	14	66.7 Å²	66.7	7%	0.072	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.5	174.9	-60.6	-58.6	0	0	0	110.3	F288 W297 R307	F288-I295 HydrophobicContact CB-CD1 4.27Å; F288-I295 HydrophobicContact CB-CG1 3.7Å; F288-I295 HydrophobicContact CD1-CD1 3.92Å; F288-I295 HydrophobicContact CD1-CG1 4.25Å; F288-I295 HydrophobicContact CD2-CD1 3.83Å; F288-I295 HydrophobicContact CD2-CG1 3.5Å; F288-I295 VanDerWaalsContact CD2-CG1 3.5Å; F288-I295 HydrophobicContact CE1-CD1 4.16Å; F288-I295 HydrophobicContact CE2-CD1 4.08Å; F288-I295 HydrophobicContact CE2-CG1 4.15Å; F288-I295 HydrophobicContact CG-CD1 3.74Å; F288-I295 HydrophobicContact CG-CG1 3.55Å; F288-I295 HydrophobicContact CZ-CD1 4.24Å; I295-W297 HydrophobicContact CG2-CD2 4.13Å; I295-W297 HydrophobicContact CG2-CH2 4.4Å; I295-W297 HydrophobicContact CG2-CZ2 3.97Å; I295-R307 CarbonylContact C-O 3.51Å; I295-R307 WeakPolarHBondContact CA-O 3.14Å
296	V	98.6	Very high	97.5	Very high	62 Å²	62	63.4 Å²	63.4	38%	0.376	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.8	170.1	179.4	0	0	0	0	107.7	R307 K309	V296-R307 PolarHBondContact N-O 3.36Å; V296-R307 PolarHBondContact O-N 3.35Å; V296-K309 HydrophobicContact CG2-CB 4.04Å; V296-K309 HydrophobicContact CG2-CD 4.48Å; V296-K309 HydrophobicContact CG2-CG 4.37Å
297	W	98.6	Very high	97.5	Very high	49 Å²	49	63.5 Å²	63.5	19%	0.186	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	133.8	-178.4	-57.7	102	0	0	0	111.1	L242 R281 V284 E285 I295 E304 I305 V316	L242-W297 HydrophobicContact CD1-CE3 4.02Å; L242-W297 HydrophobicContact CD1-CH2 3.79Å; L242-W297 HydrophobicContact CD1-CZ3 3.4Å; L242-W297 HydrophobicContact CD2-CH2 4.13Å; L242-W297 HydrophobicContact CD2-CZ3 4.49Å; R281-W297 HydrophobicContact CB-CZ2 4.5Å; R281-W297 HydrophobicContact CG-CD2 4.47Å; R281-W297 HydrophobicContact CG-CZ2 3.64Å; V284-W297 HydrophobicContact CB-CH2 4.41Å; V284-W297 HydrophobicContact CB-CZ2 4.28Å; V284-W297 HydrophobicContact CG1-CH2 3.97Å; V284-W297 HydrophobicContact CG1-CZ2 4.01Å; E285-W297 HydrophobicContact CG-CZ2 4.45Å; E285-W297 PolarHBondContact OE1-NE1 3.08Å; I295-W297 HydrophobicContact CG2-CD2 4.13Å; I295-W297 HydrophobicContact CG2-CH2 4.4Å; I295-W297 HydrophobicContact CG2-CZ2 3.97Å; W297-E304 HydrophobicContact CE3-CG 4.26Å; W297-I305 WeakPolarHBondContact CA-O 3.48Å; W297-V316 HydrophobicContact CH2-CB 4.3Å; W297-V316 HydrophobicContact CH2-CG1 3.98Å; W297-V316 HydrophobicContact CZ3-CB 4.19Å; W297-V316 HydrophobicContact CZ3-CG1 3.99Å
298	E	98.3	Very high	97.4	Very high	80 Å²	80	63.5 Å²	63.5	37%	0.374	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.7	178.7	-65.2	167.1	-163.2	0	0	109.1	E304 I305 R307	E298-E304 WeakPolarHBondContact O-CA 3.41Å; E298-I305 HydrophobicContact CB-CD1 4.37Å; E298-I305 HydrophobicContact CB-CG1 3.96Å; E298-I305 PolarHBondContact N-O 3.03Å; E298-I305 WeakPolarHBondContact O-CG1 3.17Å; E298-I305 PolarHBondContact O-N 2.95Å; E298-R307 WeakPolarHBondContact OE1-CD 3.4Å; E298-R307 IonicContact OE1-CZ 3.98Å; E298-R307 IonicContact OE1-NE 3.47Å; E298-R307 PolarHBondContact OE1-NE 2.69Å; E298-R307 IonicContact OE2-CZ 3.52Å; E298-R307 IonicContact OE2-NE 3.46Å; E298-R307 PolarHBondContact OE2-NE 3.08Å; E298-R307 VanDerWaalsContact OE2-NE 3.1Å; E298-R307 IonicContact OE2-NH2 3.34Å; E298-R307 PolarHBondContact OE2-NH2 3.21Å
299	G	97.3	Very high	97.4	Very high	55 Å²	55	70.7 Å²	70.7	57%	0.567	37%	0.367	S	S	*	.	S	Bend	trans	83.3	-168.5	-176.1	0	0	0	0	0	112.9
300	K	94.5	Very high	97.3	Very high	159 Å²	159	68 Å²	68	69%	0.691	36%	0.357	S	S	*	.			trans	-150.1	158	179.9	-67.1	-171.4	178.1	-177.1	0	109.8	N303 E304	K300-N303 CarbonylContact O-C 3.52Å; K300-N303 WeakPolarHBondContact O-CA 3.46Å; K300-N303 PolarHBondContact O-N 3.1Å; K300-E304 PolarHBondContact O-N 3.38Å
301	D	92.6	Very high	97.2	Very high	121 Å²	121	68 Å²	68	65%	0.647	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	53.5	-135.3	174	-50.3	-53.9	0	0	0	111.3	N303 E304	D301-N303 PolarHBondContact O-N 3.26Å; D301-E304 VanDerWaalsContact O-CB 3.31Å; D301-E304 WeakPolarHBondContact O-CB 3.49Å; D301-E304 PolarHBondContact O-N 3.04Å; D301-E304 VanDerWaalsContact O-N 3.12Å
302	E	94.1	Very high	97.2	Very high	105 Å²	105	68.8 Å²	68.8	49%	0.491	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-65.4	-16.3	178.3	66.1	-87.2	-165.7	0	0	114.7	E304 P320	E302-E304 VanDerWaalsContact C-N 3.34Å; E302-P320 HydrophobicContact CB-CG 3.9Å
303	N	96.4	Very high	97.3	Very high	119 Å²	119	69.1 Å²	69.1	64%	0.636	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-92.6	1.7	177.6	-61.1	-62.7	0	0	0	112.4	K300 D301	K300-N303 CarbonylContact O-C 3.52Å; K300-N303 WeakPolarHBondContact O-CA 3.46Å; K300-N303 PolarHBondContact O-N 3.1Å; D301-N303 PolarHBondContact O-N 3.26Å
304	E	98.3	Very high	97.3	Very high	25 Å²	25	68.6 Å²	68.6	12%	0.117	37%	0.365	C	S	.	.			trans	-69.7	136.1	177.1	-169.3	171.8	-153.9	0	0	111.8	R281 W297 E298 K300 D301 E302 V318	R281-E304 IonicContact CZ-OE1 3.57Å; R281-E304 VanDerWaalsContact CZ-OE1 3.22Å; R281-E304 IonicContact CZ-OE2 2.86Å; R281-E304 VanDerWaalsContact NH1-CD 3.33Å; R281-E304 IonicContact NH1-OE1 3.53Å; R281-E304 PolarHBondContact NH1-OE1 3.49Å; R281-E304 IonicContact NH1-OE2 2.76Å; R281-E304 VanDerWaalsContact NH2-CD 3.26Å; R281-E304 IonicContact NH2-OE1 3.52Å; R281-E304 PolarHBondContact NH2-OE1 3.36Å; R281-E304 IonicContact NH2-OE2 3.69Å; R281-E304 PolarHBondContact NH2-OE2 2.95Å; W297-E304 HydrophobicContact CE3-CG 4.26Å; E298-E304 WeakPolarHBondContact O-CA 3.41Å; K300-E304 PolarHBondContact O-N 3.38Å; D301-E304 VanDerWaalsContact O-CB 3.31Å; D301-E304 WeakPolarHBondContact O-CB 3.49Å; D301-E304 PolarHBondContact O-N 3.04Å; D301-E304 VanDerWaalsContact O-N 3.12Å; E302-E304 VanDerWaalsContact C-N 3.34Å; E304-V318 HydrophobicContact CB-CG2 4.12Å; E304-V318 PolarHBondContact O-N 3.27Å
305	I	98.6	Very high	97.3	Very high	41 Å²	41	65.9 Å²	65.9	21%	0.21	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	150.2	179.2	60.3	167	0	0	0	111.2	W297 E298 V314 V316 K317	W297-I305 WeakPolarHBondContact CA-O 3.48Å; E298-I305 HydrophobicContact CB-CD1 4.37Å; E298-I305 HydrophobicContact CB-CG1 3.96Å; E298-I305 PolarHBondContact N-O 3.03Å; E298-I305 WeakPolarHBondContact O-CG1 3.17Å; E298-I305 PolarHBondContact O-N 2.95Å; I305-V314 HydrophobicContact CB-CG1 3.88Å; I305-V314 HydrophobicContact CD1-CG1 4.33Å; I305-V314 HydrophobicContact CD1-CG2 3.77Å; I305-V314 HydrophobicContact CG2-CG1 4.19Å; I305-V316 CarbonylContact C-O 3.45Å; I305-V316 WeakPolarHBondContact CA-O 3.34Å; I305-K317 HydrophobicContact CG2-CG 4.43Å
306	G	98.6	Very high	97.3	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	111.7	171.2	0	0	0	0	0	111	H315 V316	G306-H315 PolarHBondContact O-N 2.57Å; G306-V316 PolarHBondContact N-O 2.83Å; G306-V316 PolarHBondContact O-N 3.3Å
307	R	98.6	Very high	97.3	Very high	72 Å²	72	66.7 Å²	66.7	27%	0.272	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.3	179.9	-170.1	-175.3	-57.3	-76.2	-3.6	111.3	I295 V296 E298 K309 G312 V313	I295-R307 CarbonylContact C-O 3.51Å; I295-R307 WeakPolarHBondContact CA-O 3.14Å; V296-R307 PolarHBondContact N-O 3.36Å; V296-R307 PolarHBondContact O-N 3.35Å; E298-R307 WeakPolarHBondContact OE1-CD 3.4Å; E298-R307 IonicContact OE1-CZ 3.98Å; E298-R307 IonicContact OE1-NE 3.47Å; E298-R307 PolarHBondContact OE1-NE 2.69Å; E298-R307 IonicContact OE2-CZ 3.52Å; E298-R307 IonicContact OE2-NE 3.46Å; E298-R307 PolarHBondContact OE2-NE 3.08Å; E298-R307 VanDerWaalsContact OE2-NE 3.1Å; E298-R307 IonicContact OE2-NH2 3.34Å; E298-R307 PolarHBondContact OE2-NH2 3.21Å; R307-K309 PolarHBondContact O-N 3.44Å; R307-G312 WeakPolarHBondContact CD-O 3.06Å; R307-G312 VanDerWaalsContact CG-O 3.3Å; R307-G312 WeakPolarHBondContact CG-O 3.37Å; R307-G312 PolarHBondContact NH1-O 3.45Å; R307-V313 CarbonylContact C-O 3.57Å; R307-V313 WeakPolarHBondContact CA-O 3.27Å
308	C	98.1	Very high	97.3	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	118.5	170.9	170.3	0	0	0	0	110	T294 E310 T311 G312 V313	T294-C308 CarbonylContact O-C 3.15Å; T294-C308 WeakPolarHBondContact O-CA 3.34Å; C308-E310 VanDerWaalsContact C-N 3.26Å; C308-E310 PolarHBondContact O-N 2.91Å; C308-E310 PolarHBondContact SG-OE2 3.22Å; C308-T311 WeakPolarHBondContact CB-OG1 3.14Å; C308-T311 PolarHBondContact O-N 2.96Å; C308-T311 PolarHBondContact SG-OG1 3.02Å; C308-G312 WeakPolarHBondContact O-CA 3.37Å; C308-G312 PolarHBondContact O-N 2.99Å; C308-V313 PolarHBondContact N-O 3.47Å
309	K	97.9	Very high	97.2	Very high	152 Å²	152	63.3 Å²	63.3	66%	0.661	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-39.2	-178.1	-173.5	179.1	177.7	-179.6	0	112.5	T294 V296 R307	T294-K309 PolarHBondContact O-N 2.71Å; V296-K309 HydrophobicContact CG2-CB 4.04Å; V296-K309 HydrophobicContact CG2-CD 4.48Å; V296-K309 HydrophobicContact CG2-CG 4.37Å; R307-K309 PolarHBondContact O-N 3.44Å
310	E	96.1	Very high	97.1	Very high	101 Å²	101	64.3 Å²	64.3	47%	0.472	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-26.6	-173.6	-59.5	77.4	-166.4	0	0	112.9	T294 C308	T294-E310 WeakPolarHBondContact CB-OE1 3.38Å; T294-E310 PolarHBondContact N-OE1 3.3Å; T294-E310 VanDerWaalsContact N-OE1 3.14Å; T294-E310 PolarHBondContact N-OE2 3.43Å; T294-E310 PolarHBondContact OG1-OE1 3.17Å; C308-E310 VanDerWaalsContact C-N 3.26Å; C308-E310 PolarHBondContact O-N 2.91Å; C308-E310 PolarHBondContact SG-OE2 3.22Å
311	T	95.9	Very high	97.2	Very high	77 Å²	77	63.1 Å²	63.1	47%	0.472	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-16	-172.6	62.7	0	0	0	0	113.8	C308 V313	C308-T311 WeakPolarHBondContact CB-OG1 3.14Å; C308-T311 PolarHBondContact O-N 2.96Å; C308-T311 PolarHBondContact SG-OG1 3.02Å; T311-V313 PolarHBondContact O-N 2.92Å; T311-V313 PolarHBondContact OG1-N 3.31Å
312	G	97.1	Very high	97.2	Very high	37 Å²	37	61.2 Å²	61.2	38%	0.381	31%	0.312	S	S	.	.			trans	71.2	1.4	-171.2	0	0	0	0	0	114.3	R307 C308	R307-G312 WeakPolarHBondContact CD-O 3.06Å; R307-G312 VanDerWaalsContact CG-O 3.3Å; R307-G312 WeakPolarHBondContact CG-O 3.37Å; R307-G312 PolarHBondContact NH1-O 3.45Å; C308-G312 WeakPolarHBondContact O-CA 3.37Å; C308-G312 PolarHBondContact O-N 2.99Å
313	V	97.9	Very high	97.2	Very high	68 Å²	68	59.8 Å²	59.8	41%	0.412	30%	0.304	S	S	.	.			trans	-80.6	138.3	-177.1	179.6	0	0	0	0	111.1	R307 C308 T311	R307-V313 CarbonylContact C-O 3.57Å; R307-V313 WeakPolarHBondContact CA-O 3.27Å; C308-V313 PolarHBondContact N-O 3.47Å; T311-V313 PolarHBondContact O-N 2.92Å; T311-V313 PolarHBondContact OG1-N 3.31Å
314	V	98.6	Very high	97.1	Very high	34 Å²	34	56.9 Å²	56.9	21%	0.206	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	117.8	174.1	-178.7	0	0	0	0	109.7	I305 K317	I305-V314 HydrophobicContact CB-CG1 3.88Å; I305-V314 HydrophobicContact CD1-CG1 4.33Å; I305-V314 HydrophobicContact CD1-CG2 3.77Å; I305-V314 HydrophobicContact CG2-CG1 4.19Å; V314-K317 HydrophobicContact CG1-CG 4.15Å
315	H	98.5	Very high	96.9	Very high	13 Å²	13	60.3 Å²	60.3	6%	0.06	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-24.6	179.6	-69.9	-44.6	0	0	0	113.4	I229 E235 S236 F237 F288 G306	I229-H315 HydrophobicContact CD1-CB 4.15Å; E235-H315 PolarHBondContact O-ND1 3.49Å; S236-H315 CarbonylContact C-O 3.44Å; S236-H315 WeakPolarHBondContact CA-O 3.34Å; S236-H315 WeakPolarHBondContact CB-O 3.23Å; F237-H315 WeakPolarHBondContact CD1-O 3.3Å; F237-H315 PolarHBondContact N-O 2.68Å; F288-H315 HydrophobicContact CE1-CB 3.96Å; F288-H315 AromaticContact CE1-CD2 3.9Å; F288-H315 HydrophobicContact CZ-CB 3.65Å; G306-H315 PolarHBondContact O-N 2.57Å
316	V	98.8	Very high	96.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135	-176.6	-169	0	0	0	0	109.4	F237 L239 V284 F288 W297 I305 G306	F237-V316 HydrophobicContact CE1-CG2 3.9Å; F237-V316 HydrophobicContact CZ-CG2 4.07Å; F237-V316 WeakPolarHBondContact O-CA 3.42Å; L239-V316 HydrophobicContact CD1-CG1 4.37Å; V284-V316 HydrophobicContact CG1-CG2 3.88Å; F288-V316 HydrophobicContact CE2-CG2 3.58Å; F288-V316 HydrophobicContact CZ-CG2 4.06Å; W297-V316 HydrophobicContact CH2-CB 4.3Å; W297-V316 HydrophobicContact CH2-CG1 3.98Å; W297-V316 HydrophobicContact CZ3-CB 4.19Å; W297-V316 HydrophobicContact CZ3-CG1 3.99Å; I305-V316 CarbonylContact C-O 3.45Å; I305-V316 WeakPolarHBondContact CA-O 3.34Å; G306-V316 PolarHBondContact N-O 2.83Å; G306-V316 PolarHBondContact O-N 3.3Å
317	K	98.4	Very high	96.3	Very high	93 Å²	93	61.8 Å²	61.8	40%	0.404	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	158.4	176.1	-60.6	176.2	-177.2	172.4	0	109.7	F237 S238 L239 I305 V314	F237-K317 PolarHBondContact O-N 3.31Å; S238-K317 CarbonylContact C-O 3.02Å; S238-K317 WeakPolarHBondContact CA-O 3.3Å; L239-K317 PolarHBondContact N-O 2.98Å; I305-K317 HydrophobicContact CG2-CG 4.43Å; V314-K317 HydrophobicContact CG1-CG 4.15Å
318	V	98.3	Very high	96	Very high	18 Å²	18	58.4 Å²	58.4	11%	0.109	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138.3	167.2	-179.9	0	0	0	0	109.1	L239 L242 E304 F323	L239-V318 CarbonylContact O-C 3.55Å; L239-V318 WeakPolarHBondContact O-CA 3.49Å; L242-V318 HydrophobicContact CD1-CG2 3.82Å; L242-V318 HydrophobicContact CG-CG2 4.27Å; E304-V318 HydrophobicContact CB-CG2 4.12Å; E304-V318 PolarHBondContact O-N 3.27Å; V318-F323 HydrophobicContact CG1-CE2 4.07Å; V318-F323 HydrophobicContact CG1-CZ 3.84Å
319	D	97.4	Very high	95.6	Very high	40 Å²	40	63.6 Å²	63.6	21%	0.214	33%	0.332	C	S	.	.			trans	-133.1	118.8	174	-179.7	-23.5	0	0	0	109.1	L239 K321 F322	L239-D319 PolarHBondContact O-N 3.17Å; D319-K321 PolarHBondContact O-N 3.07Å; D319-K321 WeakPolarHBondContact OD1-CB 3.25Å; D319-K321 WeakPolarHBondContact OD1-CD 3.28Å; D319-K321 VanDerWaalsContact OD1-CG 3.25Å; D319-K321 WeakPolarHBondContact OD1-CG 3.48Å; D319-K321 PolarHBondContact OD1-N 3.41Å; D319-K321 VanDerWaalsContact OD2-CD 3.27Å; D319-K321 WeakPolarHBondContact OD2-CD 3.41Å; D319-K321 WeakPolarHBondContact OD2-CE 3.2Å; D319-K321 IonicContact OD2-NZ 3.03Å; D319-K321 PolarHBondContact OD2-NZ 3.08Å; D319-F322 HydrophobicContact CB-CD2 3.92Å; D319-F322 HydrophobicContact CB-CE2 4.12Å; D319-F322 PolarHBondContact O-N 3.28Å; D319-F322 VanDerWaalsContact O-N 3.08Å
320	P	94.9	Very high	95.5	Very high	75 Å²	75	58.7 Å²	58.7	49%	0.487	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-56.8	-22.4	-174.6	-29.1	35.5	0	0	0	116.2	E302 F322 F323	E302-P320 HydrophobicContact CB-CG 3.9Å; P320-F322 PolarHBondContact O-N 3.44Å; P320-F322 VanDerWaalsContact O-N 3.1Å; P320-F323 HydrophobicContact CB-CD2 3.97Å; P320-F323 HydrophobicContact CB-CE2 4.2Å; P320-F323 HydrophobicContact CG-CE2 4.44Å; P320-F323 WeakPolarHBondContact O-CB 3.43Å; P320-F323 WeakPolarHBondContact O-CD2 3.45Å; P320-F323 PolarHBondContact O-N 3.2Å
321	K	95.1	Very high	95.6	Very high	135 Å²	135	53.9 Å²	53.9	59%	0.587	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-62.4	-19.2	178.1	81.3	-167	178.5	-147.5	0	113.8	D319	D319-K321 PolarHBondContact O-N 3.07Å; D319-K321 WeakPolarHBondContact OD1-CB 3.25Å; D319-K321 WeakPolarHBondContact OD1-CD 3.28Å; D319-K321 VanDerWaalsContact OD1-CG 3.25Å; D319-K321 WeakPolarHBondContact OD1-CG 3.48Å; D319-K321 PolarHBondContact OD1-N 3.41Å; D319-K321 VanDerWaalsContact OD2-CD 3.27Å; D319-K321 WeakPolarHBondContact OD2-CD 3.41Å; D319-K321 WeakPolarHBondContact OD2-CE 3.2Å; D319-K321 IonicContact OD2-NZ 3.03Å; D319-K321 PolarHBondContact OD2-NZ 3.08Å
322	F	94.4	Very high	95.8	Very high	80 Å²	80	52.5 Å²	52.5	35%	0.351	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-89.8	-8.3	178.2	-65.3	-61.3	0	0	0	113.4	K221 S238 D319 P320	K221-F322 VanDerWaalsContact NZ-CE2 3.34Å; S238-F322 WeakPolarHBondContact O-CE2 3.22Å; D319-F322 HydrophobicContact CB-CD2 3.92Å; D319-F322 HydrophobicContact CB-CE2 4.12Å; D319-F322 PolarHBondContact O-N 3.28Å; D319-F322 VanDerWaalsContact O-N 3.08Å; P320-F322 PolarHBondContact O-N 3.44Å; P320-F322 VanDerWaalsContact O-N 3.1Å
323	F	93.7	Very high	95.8	Very high	76 Å²	76	50.8 Å²	50.8	33%	0.333	26%	0.26	S	S	.	.	S	Bend	trans	-68.5	157.3	169.7	-66.7	-68.1	0	0	0	111.2	N241 V318 P320	N241-F323 VanDerWaalsContact CA-CE1 3.48Å; N241-F323 HydrophobicContact CB-CD1 3.87Å; N241-F323 HydrophobicContact CB-CE1 3.65Å; N241-F323 VanDerWaalsContact N-CE1 3.26Å; V318-F323 HydrophobicContact CG1-CE2 4.07Å; V318-F323 HydrophobicContact CG1-CZ 3.84Å; P320-F323 HydrophobicContact CB-CD2 3.97Å; P320-F323 HydrophobicContact CB-CE2 4.2Å; P320-F323 HydrophobicContact CG-CE2 4.44Å; P320-F323 WeakPolarHBondContact O-CB 3.43Å; P320-F323 WeakPolarHBondContact O-CD2 3.45Å; P320-F323 PolarHBondContact O-N 3.2Å
324	R	94.5	Very high	95.9	Very high	57 Å²	57	49.7 Å²	49.7	22%	0.215	25%	0.251	C	S	.	.			trans	-101.4	149.2	172.6	-63.1	174.7	-177.9	-168.8	1.8	109.2	V113 K114 F117 E156 T326	V113-R324 VanDerWaalsContact CB-CZ 3.46Å; K114-R324 HydrophobicContact CB-CG 4.44Å; K114-R324 HydrophobicContact CD-CG 4.28Å; F117-R324 HydrophobicContact CE2-CB 4.26Å; E156-R324 IonicContact OE1-NH1 3.87Å; R324-T326 PolarHBondContact O-N 3.37Å
325	P	94.5	Very high	95.9	Very high	97 Å²	97	49 Å²	49	63%	0.63	25%	0.248	S	C	*	.	S	Bend	trans	-55.9	-34.4	173.1	-26.8	35.9	0	0	0	112.9	F117	F117-P325 HydrophobicContact CD1-CB 4.25Å; F117-P325 HydrophobicContact CD1-CG 3.7Å; F117-P325 HydrophobicContact CE1-CB 3.99Å; F117-P325 HydrophobicContact CE1-CG 3.89Å; F117-P325 HydrophobicContact CG-CG 4.07Å; F117-P325 HydrophobicContact CZ-CG 4.42Å
326	T	92.7	Very high	95.9	Very high	37 Å²	37	51.6 Å²	51.6	23%	0.227	27%	0.265	C	S	.	.	S	Bend	trans	-134.2	116.7	174.6	41.4	0	0	0	0	108.6	F117 R175 R324	F117-T326 WeakPolarHBondContact CZ-OG1 3.39Å; R175-T326 WeakPolarHBondContact O-CB 3.38Å; R175-T326 PolarHBondContact O-OG1 3.36Å; R324-T326 PolarHBondContact O-N 3.37Å
327	E	89.9	Confident	95.9	Very high	35 Å²	35	53.7 Å²	53.7	16%	0.164	27%	0.274	C	S	.	.			trans	-87.2	157.6	179.8	-165.7	53.3	-87.2	0	0	111.7	R246	R246-E327 IonicContact NH2-OE1 3.72Å; R246-E327 PolarHBondContact NH2-OE1 3.16Å
328	V	93.2	Very high	95.9	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	26%	0.255	C	S	.	.			trans	-108.1	107.8	163.5	176.1	0	0	0	0	106.7	R175 R246 L331	R175-V328 HydrophobicContact CB-CG2 4.18Å; R246-V328 PolarHBondContact NH1-O 2.59Å; R246-V328 PolarHBondContact NH2-O 3.1Å; V328-L331 HydrophobicContact CG1-CD1 3.86Å; V328-L331 HydrophobicContact CG1-CD2 4.06Å; V328-L331 HydrophobicContact CG1-CG 3.71Å
329	D	89.6	Confident	95.9	Very high	109 Å²	109	55.2 Å²	55.2	58%	0.583	28%	0.276	S	S	*	.			trans	-78.5	-38.4	-167.4	-59.8	-43.8	0	0	0	112.7	K245	K245-D329 PolarHBondContact N-O 3.48Å
330	F	96.7	Very high	96	Very high	49 Å²	49	60.4 Å²	60.4	22%	0.215	30%	0.299	C	S	.	.			trans	-144.2	135.7	-170.5	-173.7	-88	0	0	0	110.8	V161 I164 K245 V277 Q332	V161-F330 WeakPolarHBondContact CG2-O 3.33Å; I164-F330 HydrophobicContact CD1-CD1 3.88Å; I164-F330 HydrophobicContact CD1-CE1 3.95Å; I164-F330 HydrophobicContact CG1-CD1 4.19Å; I164-F330 HydrophobicContact CG1-CE1 4.11Å; I164-F330 HydrophobicContact CG2-CE1 3.71Å; I164-F330 HydrophobicContact CG2-CZ 4.28Å; K245-F330 HydrophobicContact CB-CD2 3.87Å; K245-F330 HydrophobicContact CB-CE2 4.47Å; K245-F330 HydrophobicContact CD-CD2 3.89Å; K245-F330 HydrophobicContact CD-CE2 4.14Å; V277-F330 HydrophobicContact CB-CE2 4.35Å; V277-F330 HydrophobicContact CB-CZ 4.38Å; V277-F330 HydrophobicContact CG1-CE2 3.89Å; V277-F330 HydrophobicContact CG1-CZ 3.96Å; V277-F330 HydrophobicContact CG2-CD2 4.25Å; V277-F330 HydrophobicContact CG2-CE2 3.75Å; V277-F330 HydrophobicContact CG2-CZ 4.12Å; F330-Q332 HydrophobicContact CE1-CB 3.54Å; F330-Q332 HydrophobicContact CZ-CB 3.87Å
331	L	97.9	Very high	96.1	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.303	C	S	.	.			trans	-141.6	128.9	172.4	-73.9	175.4	0	0	0	108.7	V161 F206 K245 D247 V328	V161-L331 HydrophobicContact CG2-CD2 4.13Å; F206-L331 HydrophobicContact CD1-CB 4.16Å; F206-L331 HydrophobicContact CE1-CB 3.91Å; F206-L331 HydrophobicContact CE1-CD2 4.31Å; K245-L331 PolarHBondContact O-N 3.12Å; D247-L331 PolarHBondContact N-O 2.96Å; V328-L331 HydrophobicContact CG1-CD1 3.86Å; V328-L331 HydrophobicContact CG1-CD2 4.06Å; V328-L331 HydrophobicContact CG1-CG 3.71Å
332	Q	98.7	Very high	96.3	Very high	47 Å²	47	57.7 Å²	57.7	22%	0.22	28%	0.28	C	S	.	.			trans	-148.7	117.1	175.6	-175.6	-176.3	19.9	0	0	108.3	P165 Q166 G275 F330	P165-Q332 CarbonylContact C-O 3.54Å; P165-Q332 WeakPolarHBondContact CA-O 3.33Å; P165-Q332 HydrophobicContact CB-CG 4.23Å; P165-Q332 WeakPolarHBondContact CB-O 3.12Å; Q166-Q332 PolarHBondContact N-O 2.83Å; Q166-Q332 PolarHBondContact OE1-O 3.44Å; G275-Q332 PolarHBondContact O-NE2 3.16Å; F330-Q332 HydrophobicContact CE1-CB 3.54Å; F330-Q332 HydrophobicContact CZ-CB 3.87Å
333	G	98.8	Very high	96.5	Very high	2 Å²	2	56.5 Å²	56.5	2%	0.021	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-94.6	147	-174.6	0	0	0	0	0	113.1	D247 G275	D247-G333 PolarHBondContact OD2-N 3.23Å; D247-G333 VanDerWaalsContact OD2-N 3.16Å; G275-G333 WeakPolarHBondContact CA-O 3.36Å
334	D	98.8	Very high	96.7	Very high	45 Å²	45	53.2 Å²	53.2	24%	0.241	28%	0.276	C	S	.	.			trans	-106.4	104.2	167.7	176.7	2.2	0	0	0	109.2	P165 Q166 K167 V271 T336	P165-D334 HydrophobicContact CB-CB 3.99Å; P165-D334 HydrophobicContact CG-CB 3.77Å; Q166-D334 PolarHBondContact O-N 2.93Å; K167-D334 HydrophobicContact CB-CB 4.24Å; V271-D334 WeakPolarHBondContact CG1-O 3.43Å; D334-T336 VanDerWaalsContact C-N 3.33Å; D334-T336 WeakPolarHBondContact OD1-CB 3.39Å; D334-T336 PolarHBondContact OD1-N 2.86Å; D334-T336 PolarHBondContact OD1-OG1 2.99Å
335	S	98.5	Very high	96.9	Very high	20 Å²	20	56 Å²	56	14%	0.14	29%	0.29	C	S	.	.			trans	-94.2	24.3	178.8	65	0	0	0	0	113.3	V271 A273 K337 A338 Y339	V271-S335 WeakPolarHBondContact O-CB 3.36Å; A273-S335 PolarHBondContact O-OG 2.85Å; S335-K337 VanDerWaalsContact C-N 3.27Å; S335-K337 PolarHBondContact O-N 3.22Å; S335-A338 PolarHBondContact O-N 2.97Å; S335-A338 VanDerWaalsContact O-N 3.13Å; S335-Y339 PolarHBondContact O-N 3.03Å
336	T	98.8	Very high	97.1	Very high	67 Å²	67	53.3 Å²	53.3	41%	0.411	27%	0.272	S	S	.	.	H	α-helix	trans	-55.6	-41.4	-179.6	-66.2	0	0	0	0	112	D334 A338 Y339 Q340	D334-T336 VanDerWaalsContact C-N 3.33Å; D334-T336 WeakPolarHBondContact OD1-CB 3.39Å; D334-T336 PolarHBondContact OD1-N 2.86Å; D334-T336 PolarHBondContact OD1-OG1 2.99Å; T336-A338 PolarHBondContact O-N 3.42Å; T336-Y339 PolarHBondContact O-N 2.99Å; T336-Q340 HydrophobicContact CG2-CG 4.3Å; T336-Q340 WeakPolarHBondContact O-CG 3.42Å; T336-Q340 PolarHBondContact O-N 3.37Å
337	K	98.8	Very high	97.4	Very high	43 Å²	43	57 Å²	57	19%	0.187	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-43	178	-172.1	-169.3	179.4	-179.2	0	111.9	E168 D268 D269 F270 S335 Q340 K341	E168-K337 VanDerWaalsContact CD-CD 3.46Å; E168-K337 HydrophobicContact CG-CD 3.88Å; E168-K337 WeakPolarHBondContact OE1-CB 3.28Å; E168-K337 WeakPolarHBondContact OE1-CD 3.2Å; D268-K337 IonicContact OD1-NZ 2.75Å; D268-K337 PolarHBondContact OD1-NZ 3.26Å; D268-K337 WeakPolarHBondContact OD2-CE 3.47Å; D268-K337 IonicContact OD2-NZ 3.31Å; D268-K337 PolarHBondContact OD2-NZ 3.36Å; D269-K337 PolarHBondContact O-NZ 3.18Å; F270-K337 HydrophobicContact CD1-CB 4.43Å; F270-K337 HydrophobicContact CD1-CD 3.87Å; F270-K337 HydrophobicContact CD1-CG 3.91Å; F270-K337 HydrophobicContact CE1-CD 3.98Å; F270-K337 HydrophobicContact CE1-CG 3.82Å; S335-K337 VanDerWaalsContact C-N 3.27Å; S335-K337 PolarHBondContact O-N 3.22Å; K337-Q340 PolarHBondContact O-N 3.01Å; K337-K341 HydrophobicContact CG-CD 4.38Å; K337-K341 WeakPolarHBondContact O-CB 3.39Å; K337-K341 PolarHBondContact O-N 2.91Å
338	A	98.8	Very high	97.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-41.1	177.4	0	0	0	0	0	111.6	F270 I272 S335 T336 L342 G343 W344	F270-A338 HydrophobicContact CD1-CB 4.24Å; I272-A338 HydrophobicContact CD1-CB 3.5Å; I272-A338 VanDerWaalsContact CD1-CB 3.5Å; S335-A338 PolarHBondContact O-N 2.97Å; S335-A338 VanDerWaalsContact O-N 3.13Å; T336-A338 PolarHBondContact O-N 3.42Å; A338-L342 HydrophobicContact CB-CD1 4.36Å; A338-L342 WeakPolarHBondContact O-CA 3.33Å; A338-L342 WeakPolarHBondContact O-CB 3.42Å; A338-L342 PolarHBondContact O-N 2.84Å; A338-G343 PolarHBondContact O-N 3.35Å; A338-W344 HydrophobicContact CB-CE3 4.34Å
339	Y	98.5	Very high	98	Very high	144 Å²	144	59.5 Å²	59.5	57%	0.565	31%	0.305	S	S	*	.	H	α-helix	trans	-61.9	-49	174.1	176.7	-107.6	0	0	0	111.9	S335 T336 G343 W344 K345	S335-Y339 PolarHBondContact O-N 3.03Å; T336-Y339 PolarHBondContact O-N 2.99Å; Y339-G343 WeakPolarHBondContact O-CA 3.38Å; Y339-G343 PolarHBondContact O-N 2.89Å; Y339-W344 VanDerWaalsContact CA-O 3.29Å; Y339-W344 WeakPolarHBondContact CA-O 3.48Å; Y339-K345 HydrophobicContact CD2-CB 4.39Å
340	Q	98.6	Very high	98.4	Very high	148 Å²	148	54.5 Å²	54.5	69%	0.692	28%	0.278	S	S	*	.	H	α-helix	trans	-67.1	-41.4	-176.5	-71.5	175.6	-5.4	0	0	113.4	T336 K337	T336-Q340 HydrophobicContact CG2-CG 4.3Å; T336-Q340 WeakPolarHBondContact O-CG 3.42Å; T336-Q340 PolarHBondContact O-N 3.37Å; K337-Q340 PolarHBondContact O-N 3.01Å
341	K	98.5	Very high	98.5	Very high	131 Å²	131	56.3 Å²	56.3	57%	0.57	29%	0.287	S	S	*	.	H	α-helix	trans	-93.3	-32.2	-175.3	-68.9	-165.1	174.1	-171.6	0	114.1	D268 F270 K337	D268-K341 IonicContact OD2-NZ 2.92Å; D268-K341 PolarHBondContact OD2-NZ 3.1Å; F270-K341 HydrophobicContact CE1-CB 3.87Å; F270-K341 HydrophobicContact CE1-CD 3.89Å; F270-K341 HydrophobicContact CE1-CG 4.34Å; F270-K341 HydrophobicContact CZ-CB 4.19Å; F270-K341 HydrophobicContact CZ-CD 3.99Å; K337-K341 HydrophobicContact CG-CD 4.38Å; K337-K341 WeakPolarHBondContact O-CB 3.39Å; K337-K341 PolarHBondContact O-N 2.91Å
342	L	98.4	Very high	98.5	Very high	22 Å²	22	61.1 Å²	61.1	12%	0.115	31%	0.309	C	S	.	.	H	α-helix	trans	-109.7	-11.1	-174.3	-47.8	178	0	0	0	112.7	L260 M261 S264 F270 A338 W344	L260-L342 HydrophobicContact CB-CB 4.26Å; L260-L342 HydrophobicContact CB-CD1 4.45Å; L260-L342 HydrophobicContact CD1-CB 4.45Å; M261-L342 HydrophobicContact CG-CD1 3.75Å; S264-L342 VanDerWaalsContact OG-CD2 3.28Å; S264-L342 WeakPolarHBondContact OG-CD2 3.42Å; F270-L342 HydrophobicContact CD1-CD1 4.06Å; F270-L342 HydrophobicContact CD1-CG 4.38Å; F270-L342 HydrophobicContact CD2-CD1 4.16Å; F270-L342 HydrophobicContact CE1-CD1 4.18Å; F270-L342 HydrophobicContact CE1-CD2 4.32Å; F270-L342 HydrophobicContact CE1-CG 4.05Å; F270-L342 HydrophobicContact CE2-CD1 4.28Å; F270-L342 HydrophobicContact CE2-CD2 4.23Å; F270-L342 HydrophobicContact CG-CD1 4.04Å; F270-L342 HydrophobicContact CZ-CD1 4.29Å; F270-L342 HydrophobicContact CZ-CD2 3.92Å; F270-L342 HydrophobicContact CZ-CG 4.14Å; A338-L342 HydrophobicContact CB-CD1 4.36Å; A338-L342 WeakPolarHBondContact O-CA 3.33Å; A338-L342 WeakPolarHBondContact O-CB 3.42Å; A338-L342 PolarHBondContact O-N 2.84Å; L342-W344 HydrophobicContact CB-CB 4.26Å; L342-W344 PolarHBondContact O-N 3.17Å
343	G	98.4	Very high	98.5	Very high	55 Å²	55	58.9 Å²	58.9	57%	0.567	30%	0.299	S	S	*	.			trans	67.3	11.5	-171.4	0	0	0	0	0	113.6	A338 Y339	A338-G343 PolarHBondContact O-N 3.35Å; Y339-G343 WeakPolarHBondContact O-CA 3.38Å; Y339-G343 PolarHBondContact O-N 2.89Å
344	W	98.7	Very high	98.5	Very high	7 Å²	7	59 Å²	59	3%	0.027	30%	0.3	C	S	.	.			trans	-80.5	138.4	-175.2	-178.2	86.7	0	0	0	111.5	D253 Y254 A257 L260 I272 A273 A338 Y339 L342 P346	D253-W344 PolarHBondContact O-NE1 3.07Å; Y254-W344 HydrophobicContact CD1-CH2 4.4Å; Y254-W344 AromaticContact CD1-CZ2 3.95Å; Y254-W344 HydrophobicContact CD1-CZ2 3.95Å; Y254-W344 HydrophobicContact CE1-CH2 4.04Å; Y254-W344 HydrophobicContact CE1-CZ2 4.03Å; A257-W344 HydrophobicContact CB-CD2 4.11Å; A257-W344 HydrophobicContact CB-CG 3.98Å; L260-W344 HydrophobicContact CD1-CB 3.96Å; L260-W344 HydrophobicContact CD1-CG 4.41Å; I272-W344 HydrophobicContact CD1-CD2 4.2Å; I272-W344 HydrophobicContact CD1-CE3 3.92Å; I272-W344 HydrophobicContact CD1-CZ3 4.29Å; I272-W344 HydrophobicContact CG2-CD2 4.42Å; I272-W344 HydrophobicContact CG2-CE3 4.26Å; I272-W344 HydrophobicContact CG2-CH2 3.38Å; I272-W344 HydrophobicContact CG2-CZ2 3.53Å; I272-W344 HydrophobicContact CG2-CZ3 3.77Å; A273-W344 WeakPolarHBondContact O-CH2 3.44Å; A273-W344 WeakPolarHBondContact O-CZ3 3.49Å; A338-W344 HydrophobicContact CB-CE3 4.34Å; Y339-W344 VanDerWaalsContact CA-O 3.29Å; Y339-W344 WeakPolarHBondContact CA-O 3.48Å; L342-W344 HydrophobicContact CB-CB 4.26Å; L342-W344 PolarHBondContact O-N 3.17Å; W344-P346 HydrophobicContact CH2-CB 4.21Å
345	K	98.3	Very high	98.5	Very high	117 Å²	117	61.8 Å²	61.8	51%	0.509	31%	0.309	S	S	.	.			trans	-146.4	147.3	170.2	71.1	-176.4	-176.7	172	0	109.6	Y339 Q347	Y339-K345 HydrophobicContact CD2-CB 4.39Å; K345-Q347 PolarHBondContact O-NE2 2.75Å
346	P	98.1	Very high	98.5	Very high	40 Å²	40	64.3 Å²	64.3	26%	0.26	32%	0.319	S	S	.	.			trans	-61.1	145.3	172.8	30.9	-38.9	0	0	0	110.4	T274 W344	T274-P346 HydrophobicContact CG2-CB 4.28Å; W344-P346 HydrophobicContact CH2-CB 4.21Å
347	Q	98.4	Very high	98.5	Very high	114 Å²	114	61.1 Å²	61.1	53%	0.533	30%	0.299	S	S	.	.			trans	-108.1	-40.1	176.8	-55.2	-56.9	-53.1	0	0	111.7	D253 K345	D253-Q347 WeakPolarHBondContact OD2-CA 3.31Å; D253-Q347 PolarHBondContact OD2-N 2.8Å; K345-Q347 PolarHBondContact O-NE2 2.75Å
348	V	98.5	Very high	98.5	Very high	30 Å²	30	59 Å²	59	18%	0.182	29%	0.29	C	S	.	.	S	Bend	trans	-86.5	127.7	-177.4	-177.8	0	0	0	0	110.5	H250 D253 E352 L353	H250-V348 HydrophobicContact CB-CB 3.58Å; H250-V348 HydrophobicContact CB-CG1 3.89Å; H250-V348 HydrophobicContact CB-CG2 3.73Å; D253-V348 PolarHBondContact OD2-N 3.42Å; V348-E352 HydrophobicContact CG1-CB 3.86Å; V348-L353 HydrophobicContact CG1-CB 4.18Å
349	T	98.5	Very high	98.5	Very high	59 Å²	59	63.2 Å²	63.2	36%	0.362	31%	0.31	S	S	.	.			trans	-80.7	165	176	62.9	0	0	0	0	112.4	E351 E352 L353	T349-E351 VanDerWaalsContact C-N 3.35Å; T349-E351 PolarHBondContact O-N 2.96Å; T349-E352 PolarHBondContact N-OE2 3.14Å; T349-E352 PolarHBondContact O-N 3.05Å; T349-E352 WeakPolarHBondContact OG1-CB 3.44Å; T349-E352 VanDerWaalsContact OG1-CD 3.28Å; T349-E352 VanDerWaalsContact OG1-CG 3.22Å; T349-E352 WeakPolarHBondContact OG1-CG 3.42Å; T349-E352 PolarHBondContact OG1-N 2.9Å; T349-E352 PolarHBondContact OG1-OE2 3.08Å; T349-L353 WeakPolarHBondContact O-CB 3.45Å; T349-L353 PolarHBondContact O-N 2.87Å
350	F	98.6	Very high	98.5	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-57.8	-44.3	175.9	175.5	-111.7	0	0	0	112.7	W248 H278 E282 F283 K286 E352 L353 V354	W248-F350 HydrophobicContact CE3-CD2 4.33Å; W248-F350 AromaticContact CE3-CE2 3.72Å; W248-F350 HydrophobicContact CE3-CE2 3.72Å; W248-F350 HydrophobicContact CZ3-CE2 4.22Å; H278-F350 HydrophobicContact CB-CD1 4.39Å; H278-F350 HydrophobicContact CB-CD2 4.26Å; H278-F350 HydrophobicContact CB-CE1 3.97Å; H278-F350 HydrophobicContact CB-CE2 3.84Å; H278-F350 HydrophobicContact CB-CZ 3.68Å; H278-F350 AromaticContact CD2-CD1 3.6Å; H278-F350 AromaticContact CD2-CD2 3.68Å; H278-F350 AromaticContact CD2-CG 3.38Å; H278-F350 WeakPolarHBondContact CD2-CG 3.36Å; H278-F350 AromaticContact CE1-CD1 3.59Å; H278-F350 AromaticContact CG-CD1 3.61Å; H278-F350 AromaticContact CG-CD2 3.99Å; H278-F350 AromaticContact CG-CE1 3.62Å; H278-F350 AromaticContact CG-CE2 4Å; H278-F350 AromaticContact CG-CG 3.8Å; H278-F350 AromaticContact CG-CZ 3.82Å; H278-F350 AromaticContact ND1-CD1 3.62Å; H278-F350 AromaticContact ND1-CE1 3.65Å; H278-F350 AromaticContact NE2-CD1 3.6Å; H278-F350 AromaticContact NE2-CG 3.59Å; E282-F350 HydrophobicContact CG-CE1 4.22Å; F283-F350 HydrophobicContact CB-CZ 4.23Å; F283-F350 AromaticContact CD2-CE2 3.63Å; F283-F350 HydrophobicContact CD2-CE2 3.63Å; F283-F350 HydrophobicContact CD2-CZ 4.01Å; F283-F350 HydrophobicContact CE2-CE2 4.14Å; F283-F350 HydrophobicContact CG-CE2 4.44Å; F283-F350 HydrophobicContact CG-CZ 4.39Å; K286-F350 HydrophobicContact CG-CE1 4.17Å; F350-E352 PolarHBondContact O-N 3.3Å; F350-L353 PolarHBondContact O-N 3.22Å; F350-V354 HydrophobicContact CD2-CG2 4.29Å; F350-V354 HydrophobicContact CE1-CG2 4.25Å; F350-V354 HydrophobicContact CE2-CG2 3.9Å; F350-V354 HydrophobicContact CZ-CG2 3.87Å; F350-V354 WeakPolarHBondContact O-CG2 3.11Å; F350-V354 PolarHBondContact O-N 3.32Å
351	E	98.1	Very high	98.5	Very high	87 Å²	87	51.2 Å²	51.2	41%	0.407	26%	0.263	S	S	.	.	H	α-helix	trans	-60.6	-44.4	176.8	-79.5	70.4	-162.3	0	0	112.8	K286 T349 K355	K286-E351 IonicContact NZ-OE1 2.89Å; K286-E351 PolarHBondContact NZ-OE1 2.99Å; T349-E351 VanDerWaalsContact C-N 3.35Å; T349-E351 PolarHBondContact O-N 2.96Å; E351-K355 WeakPolarHBondContact O-CB 3.46Å; E351-K355 PolarHBondContact O-N 2.84Å
352	E	98.5	Very high	98.4	Very high	101 Å²	101	45.8 Å²	45.8	47%	0.472	24%	0.24	S	C	.	.	H	α-helix	trans	-65.9	-41.3	178.4	-72	169	142.8	0	0	111.3	V348 T349 F350 K355 E356	V348-E352 HydrophobicContact CG1-CB 3.86Å; T349-E352 PolarHBondContact N-OE2 3.14Å; T349-E352 PolarHBondContact O-N 3.05Å; T349-E352 WeakPolarHBondContact OG1-CB 3.44Å; T349-E352 VanDerWaalsContact OG1-CD 3.28Å; T349-E352 VanDerWaalsContact OG1-CG 3.22Å; T349-E352 WeakPolarHBondContact OG1-CG 3.42Å; T349-E352 PolarHBondContact OG1-N 2.9Å; T349-E352 PolarHBondContact OG1-OE2 3.08Å; F350-E352 PolarHBondContact O-N 3.3Å; E352-K355 PolarHBondContact O-N 2.95Å; E352-E356 WeakPolarHBondContact O-CB 3.43Å; E352-E356 PolarHBondContact O-N 3.3Å
353	L	98.8	Very high	98.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-59.5	-49.7	175.6	174.2	66.1	0	0	0	111.7	E209 W248 H250 V348 T349 F350 K355 E356 M357	E209-L353 HydrophobicContact CB-CD1 4.07Å; E209-L353 HydrophobicContact CB-CD2 4.14Å; E209-L353 HydrophobicContact CG-CD2 4.48Å; W248-L353 HydrophobicContact CB-CD2 4.03Å; H250-L353 HydrophobicContact CB-CD1 4.44Å; V348-L353 HydrophobicContact CG1-CB 4.18Å; T349-L353 WeakPolarHBondContact O-CB 3.45Å; T349-L353 PolarHBondContact O-N 2.87Å; F350-L353 PolarHBondContact O-N 3.22Å; L353-K355 VanDerWaalsContact C-N 3.3Å; L353-K355 PolarHBondContact O-N 2.58Å; L353-E356 PolarHBondContact O-N 2.82Å; L353-M357 HydrophobicContact CD1-CG 4.14Å; L353-M357 HydrophobicContact CD1-SD 3.95Å; L353-M357 HydrophobicContact CG-SD 4.25Å; L353-M357 WeakPolarHBondContact O-CB 3.49Å; L353-M357 VanDerWaalsContact O-CG 3.29Å; L353-M357 WeakPolarHBondContact O-CG 3.38Å; L353-M357 PolarHBondContact O-N 3.02Å
354	V	98.7	Very high	98.4	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.03	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-44.4	178.8	173.3	0	0	0	0	110.5	F283 K286 A287 F350 L358	F283-V354 HydrophobicContact CD1-CG2 4.35Å; F283-V354 HydrophobicContact CD2-CG2 4.04Å; F283-V354 HydrophobicContact CE1-CG1 4.43Å; F283-V354 HydrophobicContact CE1-CG2 4.12Å; F283-V354 HydrophobicContact CE2-CG2 3.77Å; F283-V354 HydrophobicContact CG-CG2 4.3Å; F283-V354 HydrophobicContact CZ-CG2 3.81Å; K286-V354 HydrophobicContact CB-CG1 3.99Å; A287-V354 HydrophobicContact CB-CG1 4.19Å; F350-V354 HydrophobicContact CD2-CG2 4.29Å; F350-V354 HydrophobicContact CE1-CG2 4.25Å; F350-V354 HydrophobicContact CE2-CG2 3.9Å; F350-V354 HydrophobicContact CZ-CG2 3.87Å; F350-V354 WeakPolarHBondContact O-CG2 3.11Å; F350-V354 PolarHBondContact O-N 3.32Å; V354-L358 WeakPolarHBondContact O-CB 3.14Å; V354-L358 PolarHBondContact O-N 3.25Å
355	K	98.5	Very high	98.3	Very high	103 Å²	103	49.2 Å²	49.2	45%	0.448	24%	0.243	S	C	.	.	H	α-helix	trans	-60.5	-54.5	177.9	175.4	178.6	176.5	-166.7	0	111.6	E351 E352 L353 M357 L358 E359	E351-K355 WeakPolarHBondContact O-CB 3.46Å; E351-K355 PolarHBondContact O-N 2.84Å; E352-K355 PolarHBondContact O-N 2.95Å; L353-K355 VanDerWaalsContact C-N 3.3Å; L353-K355 PolarHBondContact O-N 2.58Å; K355-M357 PolarHBondContact O-N 2.95Å; K355-L358 PolarHBondContact O-N 2.68Å; K355-E359 VanDerWaalsContact CE-CD 3.5Å; K355-E359 WeakPolarHBondContact CE-OE1 3.41Å; K355-E359 HydrophobicContact CG-CG 4.3Å; K355-E359 IonicContact NZ-OE1 3.97Å; K355-E359 WeakPolarHBondContact O-CB 3.38Å; K355-E359 WeakPolarHBondContact O-CG 3.3Å; K355-E359 PolarHBondContact O-N 3.14Å
356	E	98.6	Very high	98.2	Very high	72 Å²	72	51.3 Å²	51.3	34%	0.336	25%	0.248	S	C	.	.	H	α-helix	trans	-59.1	-46.3	-176.8	-175.4	-169.3	172.8	0	0	111.6	P211 H250 E352 L353 L358 S360	P211-E356 HydrophobicContact CG-CG 3.86Å; H250-E356 IonicContact CD2-OE2 2.81Å; H250-E356 IonicContact NE2-OE1 2.71Å; H250-E356 IonicContact NE2-OE2 2.72Å; H250-E356 PolarHBondContact NE2-OE2 3.33Å; E352-E356 WeakPolarHBondContact O-CB 3.43Å; E352-E356 PolarHBondContact O-N 3.3Å; L353-E356 PolarHBondContact O-N 2.82Å; E356-L358 VanDerWaalsContact C-N 3.32Å; E356-L358 PolarHBondContact O-N 2.81Å; E356-S360 WeakPolarHBondContact O-CB 3.42Å; E356-S360 PolarHBondContact O-N 2.81Å
357	M	98.7	Very high	98.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-44.8	178.7	-72.6	-173.3	70.9	0	0	111.6	E209 R213 R220 F283 L353 K355 D361	E209-M357 HydrophobicContact CB-SD 3.96Å; R213-M357 HydrophobicContact CB-CE 4.46Å; R220-M357 HydrophobicContact CB-CE 4.08Å; F283-M357 HydrophobicContact CZ-SD 4.17Å; L353-M357 HydrophobicContact CD1-CG 4.14Å; L353-M357 HydrophobicContact CD1-SD 3.95Å; L353-M357 HydrophobicContact CG-SD 4.25Å; L353-M357 WeakPolarHBondContact O-CB 3.49Å; L353-M357 VanDerWaalsContact O-CG 3.29Å; L353-M357 WeakPolarHBondContact O-CG 3.38Å; L353-M357 PolarHBondContact O-N 3.02Å; K355-M357 PolarHBondContact O-N 2.95Å; M357-D361 WeakPolarHBondContact O-CB 3.48Å; M357-D361 PolarHBondContact O-N 3.02Å
358	L	97.9	Very high	97.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-71.6	-43.4	-177.5	-179.3	58	0	0	0	112.6	V226 A227 A287 H290 V291 V354 K355 E356 S360 D361 I362	V226-L358 HydrophobicContact CB-CD1 4.04Å; V226-L358 HydrophobicContact CG1-CD1 3.85Å; V226-L358 HydrophobicContact CG1-CD2 4.34Å; A227-L358 HydrophobicContact CB-CD1 4.24Å; A287-L358 HydrophobicContact CB-CD2 4.35Å; A287-L358 WeakPolarHBondContact O-CD2 3.35Å; H290-L358 HydrophobicContact CB-CD2 3.58Å; H290-L358 VanDerWaalsContact CD2-CD2 3.45Å; H290-L358 WeakPolarHBondContact CD2-CD2 3.5Å; V291-L358 HydrophobicContact CG1-CD1 4.48Å; V291-L358 HydrophobicContact CG1-CD2 4.13Å; V354-L358 WeakPolarHBondContact O-CB 3.14Å; V354-L358 PolarHBondContact O-N 3.25Å; K355-L358 PolarHBondContact O-N 2.68Å; E356-L358 VanDerWaalsContact C-N 3.32Å; E356-L358 PolarHBondContact O-N 2.81Å; L358-S360 VanDerWaalsContact C-N 3.3Å; L358-S360 PolarHBondContact O-N 2.75Å; L358-D361 PolarHBondContact O-N 3.5Å; L358-I362 HydrophobicContact CD1-CD1 4.04Å; L358-I362 HydrophobicContact CD1-CG1 4.19Å; L358-I362 HydrophobicContact CG-CD1 3.96Å; L358-I362 WeakPolarHBondContact O-CB 3.36Å; L358-I362 VanDerWaalsContact O-CG1 3.27Å; L358-I362 WeakPolarHBondContact O-CG1 3.37Å; L358-I362 PolarHBondContact O-N 2.92Å
359	E	98.4	Very high	97.6	Very high	88 Å²	88	56.5 Å²	56.5	41%	0.411	27%	0.272	S	S	.	.	H	α-helix	trans	-58.9	-44.6	175.6	-73.8	178.1	167.5	0	0	110.8	H290 K355 I362 E363	H290-E359 IonicContact CE1-OE1 3.94Å; H290-E359 PolarHBondContact CE1-OE1 3.36Å; H290-E359 IonicContact NE2-OE1 3.41Å; K355-E359 VanDerWaalsContact CE-CD 3.5Å; K355-E359 WeakPolarHBondContact CE-OE1 3.41Å; K355-E359 HydrophobicContact CG-CG 4.3Å; K355-E359 IonicContact NZ-OE1 3.97Å; K355-E359 WeakPolarHBondContact O-CB 3.38Å; K355-E359 WeakPolarHBondContact O-CG 3.3Å; K355-E359 PolarHBondContact O-N 3.14Å; E359-I362 PolarHBondContact O-N 2.87Å; E359-E363 PolarHBondContact O-N 3.01Å
360	S	98.3	Very high	97.2	Very high	40 Å²	40	60.9 Å²	60.9	28%	0.28	29%	0.293	S	S	.	.	H	α-helix	trans	-63	-44.1	176.9	-174.4	0	0	0	0	112.5	P211 E356 L358 E363 L364	P211-S360 WeakPolarHBondContact CB-OG 3.39Å; E356-S360 WeakPolarHBondContact O-CB 3.42Å; E356-S360 PolarHBondContact O-N 2.81Å; L358-S360 VanDerWaalsContact C-N 3.3Å; L358-S360 PolarHBondContact O-N 2.75Å; S360-E363 PolarHBondContact O-N 3.04Å; S360-L364 WeakPolarHBondContact O-CB 3.25Å; S360-L364 PolarHBondContact O-N 2.75Å
361	D	98.6	Very high	96.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-70.4	-33.4	179.2	-78.3	-37.8	0	0	0	112.5	R220 S223 R224 A227 M357 L358 L364 M365	R220-D361 WeakPolarHBondContact CD-OD2 3.36Å; R220-D361 IonicContact CZ-OD1 3.42Å; R220-D361 VanDerWaalsContact CZ-OD1 3.31Å; R220-D361 IonicContact CZ-OD2 3.86Å; R220-D361 IonicContact NE-OD1 3.61Å; R220-D361 PolarHBondContact NE-OD1 2.85Å; R220-D361 IonicContact NE-OD2 3.54Å; R220-D361 PolarHBondContact NE-OD2 2.77Å; R220-D361 IonicContact NH2-OD1 3.02Å; R220-D361 PolarHBondContact NH2-OD1 2.82Å; R220-D361 IonicContact NH2-OD2 2.69Å; S223-D361 WeakPolarHBondContact CB-OD2 3.43Å; S223-D361 PolarHBondContact OG-OD2 2.81Å; S223-D361 VanDerWaalsContact OG-OD2 3.14Å; R224-D361 HydrophobicContact CG-CB 4.2Å; R224-D361 WeakPolarHBondContact CG-OD1 3.45Å; R224-D361 WeakPolarHBondContact CG-OD2 3.35Å; R224-D361 PolarHBondContact N-OD2 3.1Å; A227-D361 HydrophobicContact CB-CB 3.94Å; M357-D361 WeakPolarHBondContact O-CB 3.48Å; M357-D361 PolarHBondContact O-N 3.02Å; L358-D361 PolarHBondContact O-N 3.5Å; D361-L364 PolarHBondContact O-N 2.89Å; D361-M365 WeakPolarHBondContact O-CB 3.37Å; D361-M365 WeakPolarHBondContact O-CG 3.34Å; D361-M365 PolarHBondContact O-N 2.67Å
362	I	98.4	Very high	96.3	Very high	16 Å²	16	61.6 Å²	61.6	8%	0.082	31%	0.305	C	S	.	.	H	α-helix	trans	-62.1	-46.1	171.5	-71.1	167	0	0	0	110.3	A227 V291 L358 E359 R366	A227-I362 HydrophobicContact CB-CB 4.48Å; A227-I362 HydrophobicContact CB-CG1 3.71Å; V291-I362 HydrophobicContact CG1-CD1 3.86Å; L358-I362 HydrophobicContact CD1-CD1 4.04Å; L358-I362 HydrophobicContact CD1-CG1 4.19Å; L358-I362 HydrophobicContact CG-CD1 3.96Å; L358-I362 WeakPolarHBondContact O-CB 3.36Å; L358-I362 VanDerWaalsContact O-CG1 3.27Å; L358-I362 WeakPolarHBondContact O-CG1 3.37Å; L358-I362 PolarHBondContact O-N 2.92Å; E359-I362 PolarHBondContact O-N 2.87Å; I362-R366 VanDerWaalsContact O-CB 3.28Å; I362-R366 WeakPolarHBondContact O-CB 3.37Å; I362-R366 PolarHBondContact O-N 2.88Å
363	E	98.2	Very high	96.2	Very high	98 Å²	98	59.5 Å²	59.5	46%	0.458	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-44.6	177.5	-172.9	177.9	178.4	0	0	111.6	E359 S360 R366 K367	E359-E363 PolarHBondContact O-N 3.01Å; S360-E363 PolarHBondContact O-N 3.04Å; E363-R366 PolarHBondContact O-N 2.92Å; E363-K367 HydrophobicContact CG-CD 4.43Å; E363-K367 WeakPolarHBondContact O-CG 3.13Å; E363-K367 PolarHBondContact O-N 2.86Å; E363-K367 VanDerWaalsContact O-N 3.1Å; E363-K367 VanDerWaalsContact OE1-CE 3.26Å; E363-K367 WeakPolarHBondContact OE1-CE 2.99Å; E363-K367 IonicContact OE1-NZ 2.7Å; E363-K367 PolarHBondContact OE1-NZ 2.88Å
364	L	97.1	Very high	96.1	Very high	59 Å²	59	62.8 Å²	62.8	31%	0.309	31%	0.312	S	S	.	.	H	α-helix	trans	-60.6	-49.6	178.4	-178.1	64	0	0	0	111.5	S360 D361 R366 K367 N368 A371	S360-L364 WeakPolarHBondContact O-CB 3.25Å; S360-L364 PolarHBondContact O-N 2.75Å; D361-L364 PolarHBondContact O-N 2.89Å; L364-R366 VanDerWaalsContact C-N 3.3Å; L364-R366 PolarHBondContact O-N 3.38Å; L364-K367 PolarHBondContact O-N 2.81Å; L364-N368 PolarHBondContact O-N 3.22Å; L364-A371 HydrophobicContact CD1-CB 3.75Å; L364-A371 HydrophobicContact CD2-CB 3.97Å; L364-A371 HydrophobicContact CG-CB 3.67Å
365	M	97.1	Very high	95.9	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-69.7	-25.7	-179	-67.2	-51	115	0	0	113.1	A227 K228 L231 Q233 D361 N368 A371	A227-M365 HydrophobicContact CB-CG 4.35Å; K228-M365 HydrophobicContact CD-SD 4.32Å; K228-M365 WeakPolarHBondContact CE-SD 3.5Å; K228-M365 HydrophobicContact CG-CG 3.95Å; K228-M365 HydrophobicContact CG-SD 4.07Å; L231-M365 HydrophobicContact CD1-CB 3.57Å; Q233-M365 PolarHBondContact NE2-O 3.18Å; D361-M365 WeakPolarHBondContact O-CB 3.37Å; D361-M365 WeakPolarHBondContact O-CG 3.34Å; D361-M365 PolarHBondContact O-N 2.67Å; M365-N368 CarbonylContact O-C 3.51Å; M365-A371 HydrophobicContact CE-CB 3.95Å; M365-A371 WeakPolarHBondContact CE-O 3.31Å
366	R	96.5	Very high	95.8	Very high	161 Å²	161	63.9 Å²	63.9	61%	0.608	32%	0.321	S	S	*	.	H	α-helix	trans	-70.3	-39.4	172.3	-172.3	-178.1	-64.7	141	0.5	111.5	L231 I362 E363 L364	L231-R366 HydrophobicContact CD1-CB 4.43Å; I362-R366 VanDerWaalsContact O-CB 3.28Å; I362-R366 WeakPolarHBondContact O-CB 3.37Å; I362-R366 PolarHBondContact O-N 2.88Å; E363-R366 PolarHBondContact O-N 2.92Å; L364-R366 VanDerWaalsContact C-N 3.3Å; L364-R366 PolarHBondContact O-N 3.38Å
367	K	96.3	Very high	95.6	Very high	154 Å²	154	63.3 Å²	63.3	67%	0.67	32%	0.32	S	S	*	.	H	α-helix	trans	-76.8	-39.3	177.4	-69.6	178.4	-173.8	171.2	0	112.3	E363 L364	E363-K367 HydrophobicContact CG-CD 4.43Å; E363-K367 WeakPolarHBondContact O-CG 3.13Å; E363-K367 PolarHBondContact O-N 2.86Å; E363-K367 VanDerWaalsContact O-N 3.1Å; E363-K367 VanDerWaalsContact OE1-CE 3.26Å; E363-K367 WeakPolarHBondContact OE1-CE 2.99Å; E363-K367 IonicContact OE1-NZ 2.7Å; E363-K367 PolarHBondContact OE1-NZ 2.88Å; L364-K367 PolarHBondContact O-N 2.81Å
368	N	94.3	Very high	95.4	Very high	75 Å²	75	67.9 Å²	67.9	40%	0.401	34%	0.343	S	S	.	.			trans	-146.7	99.7	-178.2	-178.8	4.4	0	0	0	110.9	L364 M365 N370 A371	L364-N368 PolarHBondContact O-N 3.22Å; M365-N368 CarbonylContact O-C 3.51Å; N368-N370 PolarHBondContact O-N 3.12Å; N368-N370 WeakPolarHBondContact OD1-CB 3.41Å; N368-N370 PolarHBondContact OD1-N 2.95Å; N368-N370 VanDerWaalsContact OD1-N 3.08Å; N368-A371 HydrophobicContact CB-CB 4Å; N368-A371 WeakPolarHBondContact O-CB 3.48Å; N368-A371 PolarHBondContact O-N 3.34Å; N368-A371 VanDerWaalsContact O-N 3.1Å; N368-A371 PolarHBondContact OD1-N 2.75Å
369	P	91.5	Very high	95.2	Very high	63 Å²	63	73.1 Å²	73.1	41%	0.409	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.3	179	-25.6	35	0	0	0	115.1	K228	K228-P369 PolarHBondContact NZ-O 3.03Å; K228-P369 VanDerWaalsContact NZ-O 3.14Å
370	N	90.5	Very high	94.9	Very high	151 Å²	151	71.8 Å²	71.8	81%	0.807	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-5.2	-178.7	-63	-34.9	0	0	0	113.7	N368	N368-N370 PolarHBondContact O-N 3.12Å; N368-N370 WeakPolarHBondContact OD1-CB 3.41Å; N368-N370 PolarHBondContact OD1-N 2.95Å; N368-N370 VanDerWaalsContact OD1-N 3.08Å
371	A	81.9	Confident	94.6	Very high	45 Å²	45	74.7 Å²	74.7	37%	0.372	37%	0.374	S	S	.	.			trans	-63.9	0	176.9	0	0	0	0	0	111.9	R224 L364 M365 N368	R224-A371 VanDerWaalsContact CZ-OXT 3.26Å; R224-A371 PolarHBondContact NH1-OXT 2.81Å; R224-A371 PolarHBondContact NH2-O 3.18Å; R224-A371 PolarHBondContact NH2-OXT 3.42Å; L364-A371 HydrophobicContact CD1-CB 3.75Å; L364-A371 HydrophobicContact CD2-CB 3.97Å; L364-A371 HydrophobicContact CG-CB 3.67Å; M365-A371 HydrophobicContact CE-CB 3.95Å; M365-A371 WeakPolarHBondContact CE-O 3.31Å; N368-A371 HydrophobicContact CB-CB 4Å; N368-A371 WeakPolarHBondContact O-CB 3.48Å; N368-A371 PolarHBondContact O-N 3.34Å; N368-A371 VanDerWaalsContact O-N 3.1Å; N368-A371 PolarHBondContact OD1-N 2.75Å

Retrieved 371 of 371 residues in 546.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).