A0A3Q0KBF7_SCHMA Loading...

5'-amp-activated protein kinase gamma-2 non-catalytic subunit transcript variant 2 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KBF7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 353 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	32.3	Very low	238 Å²	238	145.5 Å²	145.5	100%	1.172	81%	0.814	S	S	*	*				0	118.2	0	-71.6	178.9	176.7	0	0	106	N3	M1-N3 PolarHBondContact O-N 3.29Å
2	D	35.1	Very low	32.9	Very low	146 Å²	146	141.3 Å²	141.3	78%	0.781	78%	0.776	S	S	*	*			trans	-69.2	113.2	-167.1	-167.6	-5.6	0	0	0	110.5	S4	D2-S4 PolarHBondContact O-N 3.21Å; D2-S4 PolarHBondContact OD1-OG 2.73Å
3	N	29.2	Very low	32.6	Very low	161 Å²	161	146.5 Å²	146.5	86%	0.861	79%	0.786	S	S	*	*			trans	-95.4	76.2	175.8	-88.7	-13.8	0	0	0	108.4	M1	M1-N3 PolarHBondContact O-N 3.29Å
4	S	30.5	Very low	32.3	Very low	79 Å²	79	150.6 Å²	150.6	55%	0.552	79%	0.793	S	S	*	*			trans	-97.3	122.8	167	-70.8	0	0	0	0	108.7	D2 H6	D2-S4 PolarHBondContact O-N 3.21Å; D2-S4 PolarHBondContact OD1-OG 2.73Å; S4-H6 PolarHBondContact O-N 2.56Å
5	P	34.7	Very low	32.5	Very low	122 Å²	122	145.4 Å²	145.4	79%	0.792	77%	0.774	S	S	*	*			trans	-71.8	117.1	-173.3	26.9	-29.7	0	0	0	109.6	T7	P5-T7 PolarHBondContact O-N 2.9Å
6	H	31	Very low	32.4	Very low	181 Å²	181	143.9 Å²	143.9	84%	0.838	77%	0.772	S	S	*	*			trans	-56	109.2	168.1	-69.1	-74.5	0	0	0	109	S4 E8	S4-H6 PolarHBondContact O-N 2.56Å; H6-E8 VanDerWaalsContact C-N 3.28Å; H6-E8 PolarHBondContact O-N 3.19Å
7	T	31.3	Very low	32.6	Very low	140 Å²	140	142.9 Å²	142.9	86%	0.859	78%	0.779	S	S	*	*			trans	-64.4	93.2	163.5	35.3	0	0	0	0	107.8	P5 G9	P5-T7 PolarHBondContact O-N 2.9Å; T7-G9 PolarHBondContact O-N 2.96Å; T7-G9 VanDerWaalsContact O-N 3.08Å
8	E	31.6	Very low	33.1	Very low	181 Å²	181	139.2 Å²	139.2	85%	0.846	78%	0.779	S	S	*	*			trans	-55.7	112.6	167.3	-75.9	-177.5	155.7	0	0	108.2	H6 R10	H6-E8 VanDerWaalsContact C-N 3.28Å; H6-E8 PolarHBondContact O-N 3.19Å; E8-R10 PolarHBondContact O-N 3.17Å; E8-R10 VanDerWaalsContact O-N 3.17Å
9	G	30.5	Very low	33.5	Very low	71 Å²	71	139.8 Å²	139.8	73%	0.732	78%	0.775	S	S	*	*			trans	-56.9	121	177.1	0	0	0	0	0	109.7	T7 A11	T7-G9 PolarHBondContact O-N 2.96Å; T7-G9 VanDerWaalsContact O-N 3.08Å; G9-A11 PolarHBondContact O-N 2.99Å
10	R	33	Very low	34.1	Very low	180 Å²	180	140.4 Å²	140.4	68%	0.679	77%	0.769	S	S	*	*			trans	-53.6	100.2	170.5	-98.1	177.4	167.2	-174.8	-8.5	108.8	E8 R12	E8-R10 PolarHBondContact O-N 3.17Å; E8-R10 VanDerWaalsContact O-N 3.17Å; R10-R12 PolarHBondContact O-N 3.36Å
11	A	29.4	Very low	34.9	Very low	102 Å²	102	137 Å²	137	84%	0.843	75%	0.746	S	S	*	*			trans	-66.9	103.9	177.7	0	0	0	0	0	109.7	G9	G9-A11 PolarHBondContact O-N 2.99Å
12	R	39.9	Very low	35.4	Very low	95 Å²	95	130.9 Å²	130.9	36%	0.358	72%	0.715	S	S	.	*			trans	-76.5	128.9	170.9	-82	-176.8	170.4	147.9	1	109.9	R10 K14 L200 E306	R10-R12 PolarHBondContact O-N 3.36Å; R12-K14 PolarHBondContact O-N 3.49Å; R12-K14 VanDerWaalsContact O-N 3.16Å; R12-L200 PolarHBondContact NH2-O 3.2Å; R12-L200 VanDerWaalsContact NH2-O 3.12Å; R12-E306 IonicContact CZ-OE1 3.91Å; R12-E306 IonicContact NH1-OE1 3.79Å; R12-E306 PolarHBondContact NH1-OE1 3.38Å
13	K	29.2	Very low	36.4	Very low	208 Å²	208	124.2 Å²	124.2	90%	0.904	68%	0.68	S	S	*	*			trans	-66.1	111.7	166.7	-73.2	-177.4	177.2	179.3	0	108.1	S15	K13-S15 PolarHBondContact O-N 3.23Å
14	K	28.7	Very low	37.6	Very low	204 Å²	204	120.1 Å²	120.1	89%	0.887	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-63.5	120.5	170.3	-76.1	-178.1	175.3	179.3	0	108.1	R12	R12-K14 PolarHBondContact O-N 3.49Å; R12-K14 VanDerWaalsContact O-N 3.16Å
15	S	34.5	Very low	38.9	Very low	73 Å²	73	118.2 Å²	118.2	51%	0.51	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-74.5	141.4	-179.2	66.6	0	0	0	0	111	K13 Y21	K13-S15 PolarHBondContact O-N 3.23Å; S15-Y21 PolarHBondContact OG-OH 2.8Å
16	V	31.1	Very low	39.6	Very low	121 Å²	121	116.7 Å²	116.7	73%	0.733	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-90.4	139.1	174.2	178.6	0	0	0	0	107.7	G18	V16-G18 PolarHBondContact O-N 3.48Å
17	S	36.5	Very low	40.2	Very low	128 Å²	128	112 Å²	112	90%	0.895	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-40.2	117	178.3	178.5	0	0	0	0	113.4
18	G	40.1	Very low	40.6	Very low	76 Å²	76	109 Å²	109	78%	0.784	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	131.3	-9.1	162.3	0	0	0	0	0	117.9	V16	V16-G18 PolarHBondContact O-N 3.48Å
19	E	41.8	Very low	41.2	Very low	150 Å²	150	106.6 Å²	106.6	70%	0.701	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-85.6	128.9	-177.4	-72.2	-177.2	160.5	0	0	113	Y21	E19-Y21 PolarHBondContact O-N 3.07Å
20	K	45.9	Very low	42	Very low	151 Å²	151	113.5 Å²	113.5	66%	0.657	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-63.5	121.5	170.1	-70.8	169.6	164.7	-135.8	0	108.9	E42	K20-E42 HydrophobicContact CB-CG 4.34Å; K20-E42 WeakPolarHBondContact CD-OE1 3.49Å; K20-E42 WeakPolarHBondContact CE-OE1 3.46Å; K20-E42 VanDerWaalsContact CG-OE1 3.3Å; K20-E42 WeakPolarHBondContact CG-OE1 3.33Å; K20-E42 IonicContact NZ-OE1 3.75Å; K20-E42 PolarHBondContact NZ-OE1 3.15Å; K20-E42 IonicContact NZ-OE2 3.6Å; K20-E42 PolarHBondContact NZ-OE2 3.34Å
21	Y	50.2	Low	42.4	Very low	70 Å²	70	112.8 Å²	112.8	28%	0.275	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.8	138.6	178.5	-63.6	-79.7	0	0	0	110.4	S15 E19 L43 P46 P204	S15-Y21 PolarHBondContact OG-OH 2.8Å; E19-Y21 PolarHBondContact O-N 3.07Å; Y21-L43 PolarHBondContact O-N 3.14Å; Y21-P46 HydrophobicContact CD2-CG 3.91Å; Y21-P46 HydrophobicContact CE2-CG 3.82Å; Y21-P204 VanDerWaalsContact CB-CG 3.48Å; Y21-P204 HydrophobicContact CD1-CB 3.65Å; Y21-P204 HydrophobicContact CD1-CG 3.52Å; Y21-P204 HydrophobicContact CD2-CB 4.49Å; Y21-P204 HydrophobicContact CE1-CB 4.12Å; Y21-P204 HydrophobicContact CE1-CG 4.44Å; Y21-P204 HydrophobicContact CG-CB 3.85Å; Y21-P204 HydrophobicContact CG-CG 3.63Å
22	M	50.1	Low	42.8	Very low	109 Å²	109	114.4 Å²	114.4	54%	0.537	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.4	122.2	-178.9	-68	-166.2	-45	0	0	108.5	V24 V40	M22-V24 HydrophobicContact CB-CG2 4.5Å; M22-V40 HydrophobicContact CB-CG1 3.5Å; M22-V40 VanDerWaalsContact CB-CG1 3.5Å; M22-V40 HydrophobicContact CE-CG1 4.16Å; M22-V40 HydrophobicContact CG-CG1 3.5Å; M22-V40 HydrophobicContact SD-CG1 3.27Å; M22-V40 WeakPolarHBondContact SD-CG1 3.15Å
23	V	55.5	Low	42.8	Very low	6 Å²	6	114.2 Å²	114.2	4%	0.036	60%	0.596	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.5	115.9	164.2	-173.7	0	0	0	0	106.5	W25 V40 E41 L43 I52 L203	V23-W25 HydrophobicContact CB-CE3 4.45Å; V23-W25 HydrophobicContact CG1-CE3 4.12Å; V23-W25 WeakPolarHBondContact O-CZ3 3.48Å; V23-V40 WeakPolarHBondContact O-CA 3.42Å; V23-E41 PolarHBondContact N-O 3.23Å; V23-E41 VanDerWaalsContact N-O 3.13Å; V23-E41 PolarHBondContact O-N 3.3Å; V23-L43 HydrophobicContact CG2-CD1 3.27Å; V23-L43 HydrophobicContact CG2-CD2 4.33Å; V23-L43 HydrophobicContact CG2-CG 3.78Å; V23-I52 HydrophobicContact CB-CG2 4.4Å; V23-I52 HydrophobicContact CG2-CG2 4.02Å; V23-L203 HydrophobicContact CG1-CD2 4.36Å
24	V	53.3	Low	43.3	Very low	75 Å²	75	110.2 Å²	110.2	46%	0.455	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.5	125.9	175.5	-178.2	0	0	0	0	107.8	M22 L38 H39 V40	M22-V24 HydrophobicContact CB-CG2 4.5Å; V24-L38 HydrophobicContact CG1-CB 4.32Å; V24-L38 HydrophobicContact CG1-CD2 3.23Å; V24-L38 HydrophobicContact CG1-CG 3.43Å; V24-L38 VanDerWaalsContact CG1-CG 3.43Å; V24-H39 WeakPolarHBondContact CA-O 3.45Å; V24-V40 HydrophobicContact CG2-CG2 4.3Å
25	W	57.9	Low	43.7	Very low	40 Å²	40	104.6 Å²	104.6	15%	0.152	57%	0.574	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.1	148.8	168.8	70	99.3	0	0	0	110.5	V23 H39 E41 N56	V23-W25 HydrophobicContact CB-CE3 4.45Å; V23-W25 HydrophobicContact CG1-CE3 4.12Å; V23-W25 WeakPolarHBondContact O-CZ3 3.48Å; W25-H39 HydrophobicContact CD2-CB 3.89Å; W25-H39 VanDerWaalsContact CE2-CB 3.42Å; W25-H39 HydrophobicContact CE3-CB 4.22Å; W25-H39 HydrophobicContact CH2-CB 3.76Å; W25-H39 HydrophobicContact CZ2-CB 3.38Å; W25-H39 HydrophobicContact CZ3-CB 4.16Å; W25-H39 PolarHBondContact N-O 3.17Å; W25-H39 PolarHBondContact O-N 3.42Å; W25-E41 HydrophobicContact CH2-CB 4.01Å; W25-E41 HydrophobicContact CZ3-CB 3.79Å; W25-N56 HydrophobicContact CD2-CB 3.77Å; W25-N56 HydrophobicContact CE3-CB 4.13Å; W25-N56 HydrophobicContact CG-CB 4.16Å; W25-N56 HydrophobicContact CH2-CB 4.41Å; W25-N56 WeakPolarHBondContact CH2-ND2 3.22Å; W25-N56 HydrophobicContact CZ2-CB 4.06Å; W25-N56 HydrophobicContact CZ3-CB 4.44Å; W25-N56 VanDerWaalsContact CZ3-ND2 3.25Å; W25-N56 WeakPolarHBondContact CZ3-ND2 3.47Å
26	D	50.2	Low	44	Very low	89 Å²	89	104.6 Å²	104.6	48%	0.476	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.1	124.9	174.8	-171.7	-1.3	0	0	0	108.8	C28 T36	D26-C28 PolarHBondContact OD1-N 2.86Å; D26-C28 VanDerWaalsContact OD1-N 3.1Å; D26-T36 HydrophobicContact CB-CG2 4.47Å; D26-T36 VanDerWaalsContact CG-CG2 3.47Å; D26-T36 VanDerWaalsContact OD1-CG2 3.31Å; D26-T36 WeakPolarHBondContact OD1-CG2 3.47Å; D26-T36 WeakPolarHBondContact OD2-CG2 3.28Å
27	N	43.1	Very low	44.6	Very low	83 Å²	83	105 Å²	105	44%	0.444	56%	0.563	S	S	.	*			trans	-107.5	65.2	170.1	-158.6	8	0	0	0	108.8	K29	N27-K29 PolarHBondContact O-N 3.12Å
28	C	40.7	Very low	45.1	Very low	78 Å²	78	103.9 Å²	103.9	53%	0.527	55%	0.546	S	S	.	.			trans	-66.4	80.6	166.5	-94.3	0	0	0	0	109.4	D26 R30	D26-C28 PolarHBondContact OD1-N 2.86Å; D26-C28 VanDerWaalsContact OD1-N 3.1Å; C28-R30 PolarHBondContact O-N 2.86Å
29	K	43.4	Very low	45.5	Very low	130 Å²	130	104.3 Å²	104.3	57%	0.565	53%	0.528	S	S	*	.			trans	-61.7	106.5	158.3	-71.3	-172.1	179.9	179.2	0	106.4	N27 N31 E32	N27-K29 PolarHBondContact O-N 3.12Å; K29-N31 PolarHBondContact O-N 3.28Å; K29-E32 PolarHBondContact O-N 2.93Å; K29-E32 VanDerWaalsContact O-N 3.11Å
30	R	46.4	Very low	46.1	Very low	215 Å²	215	100.5 Å²	100.5	81%	0.811	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-7.4	-173.7	-75.8	-174.6	-174.8	172.8	4	116	C28	C28-R30 PolarHBondContact O-N 2.86Å
31	N	42.9	Very low	46.9	Very low	165 Å²	165	96.1 Å²	96.1	88%	0.882	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	2.4	-178.1	-75.5	2.7	0	0	0	114.9	K29	K29-N31 PolarHBondContact O-N 3.28Å
32	E	36.4	Very low	47.3	Very low	136 Å²	136	98 Å²	98	64%	0.636	51%	0.508	S	S	*	.	S	Bend	trans	-113.1	143.7	170.6	-72.7	174.9	-169.9	0	0	109.5	K29	K29-E32 PolarHBondContact O-N 2.93Å; K29-E32 VanDerWaalsContact O-N 3.11Å
33	S	40.4	Very low	48	Very low	92 Å²	92	93.1 Å²	93.1	64%	0.643	48%	0.484	S	S	*	.			trans	-42.3	145.5	177.7	27.6	0	0	0	0	111.7	T35	S33-T35 PolarHBondContact O-N 2.85Å; S33-T35 PolarHBondContact O-OG1 3.09Å
34	P	40.1	Very low	48.9	Very low	124 Å²	124	98.4 Å²	98.4	81%	0.805	52%	0.521	S	S	*	.	S	Bend	trans	-76.1	57.1	-168.4	34.7	-37.2	0	0	0	111.5	T36	P34-T36 PolarHBondContact O-N 3.45Å
35	T	38.1	Very low	50.4	Low	86 Å²	86	97.3 Å²	97.3	53%	0.528	51%	0.513	S	S	.	.			trans	-85.8	93.6	154.5	42.8	0	0	0	0	105.7	S33 F37	S33-T35 PolarHBondContact O-N 2.85Å; S33-T35 PolarHBondContact O-OG1 3.09Å; T35-F37 VanDerWaalsContact C-N 3.33Å; T35-F37 VanDerWaalsContact O-CD2 3.23Å; T35-F37 WeakPolarHBondContact O-CD2 3.31Å; T35-F37 PolarHBondContact O-N 3.47Å; T35-F37 WeakPolarHBondContact OG1-CE2 3.46Å
36	T	39.3	Very low	51.9	Low	73 Å²	73	97.1 Å²	97.1	45%	0.448	52%	0.517	S	S	.	.			trans	-57.8	96.3	171.4	-45.6	0	0	0	0	108.1	D26 P34 L38	D26-T36 HydrophobicContact CB-CG2 4.47Å; D26-T36 VanDerWaalsContact CG-CG2 3.47Å; D26-T36 VanDerWaalsContact OD1-CG2 3.31Å; D26-T36 WeakPolarHBondContact OD1-CG2 3.47Å; D26-T36 WeakPolarHBondContact OD2-CG2 3.28Å; P34-T36 PolarHBondContact O-N 3.45Å; T36-L38 VanDerWaalsContact C-N 3.3Å; T36-L38 HydrophobicContact CG2-CD1 3.84Å; T36-L38 PolarHBondContact O-N 3.25Å
37	F	44.4	Very low	53.8	Low	128 Å²	128	95.5 Å²	95.5	56%	0.561	51%	0.508	S	S	*	.			trans	-76.3	91.4	169.7	-69.2	-76.7	0	0	0	106.7	T35 H39	T35-F37 VanDerWaalsContact C-N 3.33Å; T35-F37 VanDerWaalsContact O-CD2 3.23Å; T35-F37 WeakPolarHBondContact O-CD2 3.31Å; T35-F37 PolarHBondContact O-N 3.47Å; T35-F37 WeakPolarHBondContact OG1-CE2 3.46Å; F37-H39 PolarHBondContact O-CD2 3.47Å; F37-H39 PolarHBondContact O-N 3.1Å
38	L	47.2	Very low	56	Low	105 Å²	105	96.5 Å²	96.5	55%	0.55	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	104.3	164.7	-111.6	80.5	0	0	0	106.8	V24 T36	V24-L38 HydrophobicContact CG1-CB 4.32Å; V24-L38 HydrophobicContact CG1-CD2 3.23Å; V24-L38 HydrophobicContact CG1-CG 3.43Å; V24-L38 VanDerWaalsContact CG1-CG 3.43Å; T36-L38 VanDerWaalsContact C-N 3.3Å; T36-L38 HydrophobicContact CG2-CD1 3.84Å; T36-L38 PolarHBondContact O-N 3.25Å
39	H	48.7	Very low	58.4	Low	85 Å²	85	92.8 Å²	92.8	39%	0.394	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131.4	171.7	-76.2	-78.5	0	0	0	108.5	V24 W25 F37	V24-H39 WeakPolarHBondContact CA-O 3.45Å; W25-H39 HydrophobicContact CD2-CB 3.89Å; W25-H39 VanDerWaalsContact CE2-CB 3.42Å; W25-H39 HydrophobicContact CE3-CB 4.22Å; W25-H39 HydrophobicContact CH2-CB 3.76Å; W25-H39 HydrophobicContact CZ2-CB 3.38Å; W25-H39 HydrophobicContact CZ3-CB 4.16Å; W25-H39 PolarHBondContact N-O 3.17Å; W25-H39 PolarHBondContact O-N 3.42Å; F37-H39 PolarHBondContact O-CD2 3.47Å; F37-H39 PolarHBondContact O-N 3.1Å
40	V	54	Low	60.8	Low	70 Å²	70	86.7 Å²	86.7	42%	0.424	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	111	-177	-179.3	0	0	0	0	108.1	M22 V23 V24	M22-V40 HydrophobicContact CB-CG1 3.5Å; M22-V40 VanDerWaalsContact CB-CG1 3.5Å; M22-V40 HydrophobicContact CE-CG1 4.16Å; M22-V40 HydrophobicContact CG-CG1 3.5Å; M22-V40 HydrophobicContact SD-CG1 3.27Å; M22-V40 WeakPolarHBondContact SD-CG1 3.15Å; V23-V40 WeakPolarHBondContact O-CA 3.42Å; V24-V40 HydrophobicContact CG2-CG2 4.3Å
41	E	61.9	Low	63	Low	60 Å²	60	79.8 Å²	79.8	28%	0.28	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.8	170	-167.1	170.1	173.4	0	0	108.2	V23 W25 L43 I52 N56	V23-E41 PolarHBondContact N-O 3.23Å; V23-E41 VanDerWaalsContact N-O 3.13Å; V23-E41 PolarHBondContact O-N 3.3Å; W25-E41 HydrophobicContact CH2-CB 4.01Å; W25-E41 HydrophobicContact CZ3-CB 3.79Å; E41-L43 PolarHBondContact O-N 2.94Å; E41-I52 WeakPolarHBondContact OE2-CG2 3.46Å; E41-N56 PolarHBondContact OE2-ND2 2.81Å
42	E	58.8	Low	65.4	Low	108 Å²	108	72.9 Å²	72.9	51%	0.505	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	110.6	175	-165.2	179.7	162.4	0	0	108.7	K20 S44	K20-E42 HydrophobicContact CB-CG 4.34Å; K20-E42 WeakPolarHBondContact CD-OE1 3.49Å; K20-E42 WeakPolarHBondContact CE-OE1 3.46Å; K20-E42 VanDerWaalsContact CG-OE1 3.3Å; K20-E42 WeakPolarHBondContact CG-OE1 3.33Å; K20-E42 IonicContact NZ-OE1 3.75Å; K20-E42 PolarHBondContact NZ-OE1 3.15Å; K20-E42 IonicContact NZ-OE2 3.6Å; K20-E42 PolarHBondContact NZ-OE2 3.34Å; E42-S44 PolarHBondContact O-N 2.97Å
43	L	65.4	Low	68.1	Low	8 Å²	8	66.7 Å²	66.7	4%	0.042	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	100.1	175.4	-77.9	171.1	0	0	0	108.9	Y21 V23 E41 D45 A49 I52 P204	Y21-L43 PolarHBondContact O-N 3.14Å; V23-L43 HydrophobicContact CG2-CD1 3.27Å; V23-L43 HydrophobicContact CG2-CD2 4.33Å; V23-L43 HydrophobicContact CG2-CG 3.78Å; E41-L43 PolarHBondContact O-N 2.94Å; L43-D45 PolarHBondContact O-N 3.34Å; L43-A49 HydrophobicContact CD1-CB 3.86Å; L43-I52 HydrophobicContact CD2-CB 4.31Å; L43-I52 HydrophobicContact CD2-CD1 3.2Å; L43-I52 HydrophobicContact CD2-CG1 4.29Å; L43-I52 HydrophobicContact CD2-CG2 4.46Å; L43-P204 HydrophobicContact CD1-CG 3.59Å
44	S	74.7	Confident	70.7	Confident	117 Å²	117	62.3 Å²	62.3	82%	0.818	34%	0.336	S	S	*	.	S	Bend	trans	-65.8	-22.1	166.7	52.7	0	0	0	0	112.7	E42	E42-S44 PolarHBondContact O-N 2.97Å
45	D	85.2	Confident	73.4	Confident	52 Å²	52	61.5 Å²	61.5	28%	0.278	32%	0.319	S	S	.	.			trans	-136.7	108.7	-175.1	-179.7	5.2	0	0	0	110.6	L43 D47 K48	L43-D45 PolarHBondContact O-N 3.34Å; D45-D47 PolarHBondContact O-N 3.13Å; D45-D47 VanDerWaalsContact O-N 3.15Å; D45-D47 WeakPolarHBondContact OD1-CB 3.35Å; D45-D47 PolarHBondContact OD1-N 3.12Å; D45-K48 HydrophobicContact CB-CD 4.13Å; D45-K48 HydrophobicContact CB-CG 4.3Å; D45-K48 PolarHBondContact O-N 3.26Å; D45-K48 VanDerWaalsContact OD2-CE 3.27Å; D45-K48 WeakPolarHBondContact OD2-CE 3.42Å; D45-K48 IonicContact OD2-NZ 2.68Å
46	P	87.9	Confident	76	Confident	36 Å²	36	59 Å²	59	23%	0.234	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-56	-26.2	175.6	-25.3	35	0	0	0	113.6	Y21 K48 A49 P204	Y21-P46 HydrophobicContact CD2-CG 3.91Å; Y21-P46 HydrophobicContact CE2-CG 3.82Å; P46-K48 PolarHBondContact O-N 3.03Å; P46-A49 WeakPolarHBondContact O-CB 3.23Å; P46-A49 PolarHBondContact O-N 3.33Å; P46-A49 VanDerWaalsContact O-N 3.08Å; P46-P204 HydrophobicContact CB-CB 4.13Å
47	D	89.9	Confident	78.7	Confident	54 Å²	54	56.7 Å²	56.7	29%	0.289	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-70.9	-12.9	180	-70.2	-4.2	0	0	0	112.8	D45 P206 S207 F208	D45-D47 PolarHBondContact O-N 3.13Å; D45-D47 VanDerWaalsContact O-N 3.15Å; D45-D47 WeakPolarHBondContact OD1-CB 3.35Å; D45-D47 PolarHBondContact OD1-N 3.12Å; D47-P206 WeakPolarHBondContact OD1-CA 3.42Å; D47-S207 WeakPolarHBondContact OD1-CB 3.32Å; D47-S207 PolarHBondContact OD1-N 2.93Å; D47-S207 PolarHBondContact OD1-OG 2.91Å; D47-S207 PolarHBondContact OD2-OG 3.08Å; D47-F208 HydrophobicContact CB-CD1 4.09Å; D47-F208 HydrophobicContact CB-CE1 4.05Å; D47-F208 WeakPolarHBondContact O-CE1 3.45Å
48	K	89.8	Confident	81.3	Confident	105 Å²	105	52.6 Å²	52.6	46%	0.457	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-93.8	-4.2	173.7	-64.7	175.3	-171.5	160.4	0	113.3	D45 P46 Y50 K51 I52	D45-K48 HydrophobicContact CB-CD 4.13Å; D45-K48 HydrophobicContact CB-CG 4.3Å; D45-K48 PolarHBondContact O-N 3.26Å; D45-K48 VanDerWaalsContact OD2-CE 3.27Å; D45-K48 WeakPolarHBondContact OD2-CE 3.42Å; D45-K48 IonicContact OD2-NZ 2.68Å; P46-K48 PolarHBondContact O-N 3.03Å; K48-Y50 VanDerWaalsContact C-N 3.32Å; K48-Y50 PolarHBondContact O-N 3.02Å; K48-K51 PolarHBondContact O-N 2.87Å; K48-I52 HydrophobicContact CB-CD1 3.84Å; K48-I52 HydrophobicContact CB-CG1 4.47Å; K48-I52 WeakPolarHBondContact O-CB 3.36Å; K48-I52 PolarHBondContact O-N 3.12Å
49	A	91.1	Very high	83.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-53.5	-46.3	-172.7	0	0	0	0	0	112.8	L43 P46 I52 F53 P204	L43-A49 HydrophobicContact CD1-CB 3.86Å; P46-A49 WeakPolarHBondContact O-CB 3.23Å; P46-A49 PolarHBondContact O-N 3.33Å; P46-A49 VanDerWaalsContact O-N 3.08Å; A49-I52 PolarHBondContact O-N 3.35Å; A49-F53 VanDerWaalsContact O-CB 3.31Å; A49-F53 WeakPolarHBondContact O-CB 3.45Å; A49-F53 PolarHBondContact O-N 2.93Å; A49-P204 HydrophobicContact CB-CB 4.3Å; A49-P204 HydrophobicContact CB-CG 4.37Å
50	Y	93.7	Very high	86	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-72.8	-37	-175.8	-61.9	-3.8	0	0	0	112.3	K48 F53 L54 L196 L200 L203 P206 F208 M209 L341	K48-Y50 VanDerWaalsContact C-N 3.32Å; K48-Y50 PolarHBondContact O-N 3.02Å; Y50-F53 PolarHBondContact O-N 2.94Å; Y50-L54 VanDerWaalsContact O-CG 3.31Å; Y50-L54 WeakPolarHBondContact O-CG 3.46Å; Y50-L54 PolarHBondContact O-N 2.89Å; Y50-L196 HydrophobicContact CD1-CD1 4.17Å; Y50-L196 HydrophobicContact CD2-CD2 4.08Å; Y50-L196 HydrophobicContact CG-CD1 4.08Å; Y50-L196 HydrophobicContact CG-CD2 4.17Å; Y50-L200 HydrophobicContact CD1-CD2 4.21Å; Y50-L200 HydrophobicContact CE1-CD2 3.54Å; Y50-L200 HydrophobicContact CE2-CD2 3.93Å; Y50-L200 WeakPolarHBondContact OH-CD2 3.19Å; Y50-L203 HydrophobicContact CD1-CB 4.45Å; Y50-L203 HydrophobicContact CD1-CD1 3.89Å; Y50-L203 HydrophobicContact CE1-CB 4.21Å; Y50-L203 HydrophobicContact CE1-CD1 4.22Å; Y50-P206 HydrophobicContact CD1-CG 4.1Å; Y50-P206 HydrophobicContact CD2-CG 4.33Å; Y50-P206 HydrophobicContact CE1-CG 3.61Å; Y50-P206 HydrophobicContact CE2-CG 3.89Å; Y50-P206 HydrophobicContact CG-CG 4.42Å; Y50-P206 VanDerWaalsContact CZ-CG 3.49Å; Y50-P206 VanDerWaalsContact OH-CD 3.23Å; Y50-P206 WeakPolarHBondContact OH-CD 3.47Å; Y50-F208 HydrophobicContact CD2-CE2 4.2Å; Y50-F208 HydrophobicContact CD2-CZ 4.01Å; Y50-F208 HydrophobicContact CE2-CE2 4.04Å; Y50-F208 HydrophobicContact CE2-CZ 4.2Å; Y50-M209 HydrophobicContact CE2-CE 4.27Å; Y50-M209 HydrophobicContact CE2-CG 4.04Å; Y50-M209 HydrophobicContact CE2-SD 3.81Å; Y50-L341 HydrophobicContact CD2-CB 4.48Å; Y50-L341 HydrophobicContact CD2-CD1 4.33Å; Y50-L341 HydrophobicContact CD2-CD2 3.96Å; Y50-L341 HydrophobicContact CD2-CG 4.46Å; Y50-L341 HydrophobicContact CE2-CD2 4.22Å
51	K	93.5	Very high	88	Confident	69 Å²	69	49.2 Å²	49.2	30%	0.3	25%	0.248	S	C	.	.	H	α-helix	trans	-64.4	-43.1	174.7	-177.4	178.5	-173.7	160.6	0	111.4	K48 L54 K55 L159 I342	K48-K51 PolarHBondContact O-N 2.87Å; K51-L54 PolarHBondContact O-N 2.84Å; K51-K55 WeakPolarHBondContact O-CB 3.45Å; K51-K55 PolarHBondContact O-N 2.99Å; K51-L159 HydrophobicContact CG-CD1 4.13Å; K51-L159 HydrophobicContact CG-CD2 4.03Å; K51-I342 WeakPolarHBondContact CD-O 3Å; K51-I342 PolarHBondContact NZ-O 3.15Å
52	I	92	Very high	89.6	Confident	21 Å²	21	46.5 Å²	46.5	11%	0.108	24%	0.235	C	C	.	.	H	α-helix	trans	-67	-43.3	177.8	-74.8	166.9	0	0	0	110.3	V23 E41 L43 K48 A49 L54 K55 N56	V23-I52 HydrophobicContact CB-CG2 4.4Å; V23-I52 HydrophobicContact CG2-CG2 4.02Å; E41-I52 WeakPolarHBondContact OE2-CG2 3.46Å; L43-I52 HydrophobicContact CD2-CB 4.31Å; L43-I52 HydrophobicContact CD2-CD1 3.2Å; L43-I52 HydrophobicContact CD2-CG1 4.29Å; L43-I52 HydrophobicContact CD2-CG2 4.46Å; K48-I52 HydrophobicContact CB-CD1 3.84Å; K48-I52 HydrophobicContact CB-CG1 4.47Å; K48-I52 WeakPolarHBondContact O-CB 3.36Å; K48-I52 PolarHBondContact O-N 3.12Å; A49-I52 PolarHBondContact O-N 3.35Å; I52-L54 PolarHBondContact O-N 3.13Å; I52-K55 WeakPolarHBondContact O-CB 3.33Å; I52-K55 PolarHBondContact O-N 2.53Å; I52-K55 VanDerWaalsContact O-N 3.1Å; I52-N56 PolarHBondContact O-N 3.16Å; I52-N56 PolarHBondContact O-ND2 3.34Å
53	F	93.8	Very high	91.4	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-54.7	-50.3	172.6	177.1	-94.5	0	0	0	112	A49 Y50 K55 N56 H57 Y195 L196 H199 L203	A49-F53 VanDerWaalsContact O-CB 3.31Å; A49-F53 WeakPolarHBondContact O-CB 3.45Å; A49-F53 PolarHBondContact O-N 2.93Å; Y50-F53 PolarHBondContact O-N 2.94Å; F53-K55 VanDerWaalsContact C-N 3.27Å; F53-K55 PolarHBondContact O-N 3.48Å; F53-N56 PolarHBondContact O-N 3.01Å; F53-H57 AromaticContact CD2-CE1 3.38Å; F53-H57 WeakPolarHBondContact CD2-CE1 3.42Å; F53-H57 AromaticContact CD2-ND1 3.6Å; F53-H57 AromaticContact CE2-CE1 3.08Å; F53-H57 WeakPolarHBondContact CE2-CE1 3.38Å; F53-H57 AromaticContact CE2-ND1 3.55Å; F53-H57 AromaticContact CE2-NE2 3.71Å; F53-H57 AromaticContact CG-ND1 3.93Å; F53-H57 AromaticContact CZ-CE1 3.6Å; F53-H57 AromaticContact CZ-ND1 3.76Å; F53-H57 AromaticContact CZ-NE2 3.96Å; F53-H57 PolarHBondContact O-N 3.26Å; F53-H57 PolarHBondContact O-ND1 2.86Å; F53-Y195 AromaticContact CE1-CD1 3.78Å; F53-Y195 HydrophobicContact CE1-CD1 3.78Å; F53-Y195 AromaticContact CE1-CE1 3.73Å; F53-Y195 HydrophobicContact CE1-CE1 3.73Å; F53-Y195 AromaticContact CZ-CD1 3.98Å; F53-Y195 HydrophobicContact CZ-CD1 3.98Å; F53-Y195 AromaticContact CZ-CE1 3.55Å; F53-Y195 HydrophobicContact CZ-CE1 3.55Å; F53-L196 HydrophobicContact CD1-CD1 3.57Å; F53-L196 HydrophobicContact CE1-CB 4.49Å; F53-L196 HydrophobicContact CE1-CD1 3.99Å; F53-L196 HydrophobicContact CG-CD1 4.26Å; F53-H199 HydrophobicContact CE2-CB 3.73Å; F53-H199 AromaticContact CE2-CG 3.92Å; F53-H199 HydrophobicContact CZ-CB 3.62Å; F53-H199 AromaticContact CZ-CG 3.6Å; F53-H199 AromaticContact CZ-ND1 3.67Å; F53-L203 HydrophobicContact CB-CD1 3.86Å; F53-L203 HydrophobicContact CB-CD2 4.06Å; F53-L203 HydrophobicContact CD1-CD1 4.28Å; F53-L203 HydrophobicContact CD2-CD1 3.83Å; F53-L203 HydrophobicContact CD2-CD2 3.72Å; F53-L203 HydrophobicContact CD2-CG 4.24Å; F53-L203 HydrophobicContact CE2-CD1 4.41Å; F53-L203 HydrophobicContact CG-CD1 3.72Å; F53-L203 HydrophobicContact CG-CD2 4.19Å
54	L	96	Very high	92.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.1	-26.5	178.6	-67.7	176	0	0	0	113.3	Y50 K51 I52 L158 L159 V162 V192 I342	Y50-L54 VanDerWaalsContact O-CG 3.31Å; Y50-L54 WeakPolarHBondContact O-CG 3.46Å; Y50-L54 PolarHBondContact O-N 2.89Å; K51-L54 PolarHBondContact O-N 2.84Å; I52-L54 PolarHBondContact O-N 3.13Å; L54-L158 HydrophobicContact CB-CB 4.23Å; L54-L158 HydrophobicContact CD2-CB 3.81Å; L54-L158 HydrophobicContact CD2-CD1 4.12Å; L54-L158 CarbonylContact O-C 3.46Å; L54-L158 WeakPolarHBondContact O-CB 3.4Å; L54-L158 PolarHBondContact O-N 3.38Å; L54-L158 VanDerWaalsContact O-N 3.1Å; L54-L159 HydrophobicContact CB-CB 4.09Å; L54-L159 PolarHBondContact O-N 3.02Å; L54-V162 HydrophobicContact CD1-CG2 4.37Å; L54-V192 HydrophobicContact CD2-CG1 3.87Å; L54-I342 HydrophobicContact CD1-CG2 3.75Å
55	K	95.3	Very high	93.5	Very high	106 Å²	106	48.7 Å²	48.7	46%	0.461	24%	0.242	S	C	.	.	H	α-helix	trans	-72.5	-33.9	175	-175.7	-171.8	170	-159.7	0	111.8	K51 I52 F53 T157 L159	K51-K55 WeakPolarHBondContact O-CB 3.45Å; K51-K55 PolarHBondContact O-N 2.99Å; I52-K55 WeakPolarHBondContact O-CB 3.33Å; I52-K55 PolarHBondContact O-N 2.53Å; I52-K55 VanDerWaalsContact O-N 3.1Å; F53-K55 VanDerWaalsContact C-N 3.27Å; F53-K55 PolarHBondContact O-N 3.48Å; K55-T157 WeakPolarHBondContact O-CB 3.37Å; K55-T157 WeakPolarHBondContact O-CG2 3.28Å; K55-L159 HydrophobicContact CB-CB 4.38Å; K55-L159 HydrophobicContact CB-CD2 3.95Å; K55-L159 HydrophobicContact CG-CD2 4.33Å
56	N	94	Very high	93.8	Very high	34 Å²	34	51.3 Å²	51.3	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-95.9	2.7	-175.3	-65.2	-28.3	0	0	0	113.6	W25 E41 I52 F53	W25-N56 HydrophobicContact CD2-CB 3.77Å; W25-N56 HydrophobicContact CE3-CB 4.13Å; W25-N56 HydrophobicContact CG-CB 4.16Å; W25-N56 HydrophobicContact CH2-CB 4.41Å; W25-N56 WeakPolarHBondContact CH2-ND2 3.22Å; W25-N56 HydrophobicContact CZ2-CB 4.06Å; W25-N56 HydrophobicContact CZ3-CB 4.44Å; W25-N56 VanDerWaalsContact CZ3-ND2 3.25Å; W25-N56 WeakPolarHBondContact CZ3-ND2 3.47Å; E41-N56 PolarHBondContact OE2-ND2 2.81Å; I52-N56 PolarHBondContact O-N 3.16Å; I52-N56 PolarHBondContact O-ND2 3.34Å; F53-N56 PolarHBondContact O-N 3.01Å
57	H	96.4	Very high	93.8	Very high	25 Å²	25	52 Å²	52	12%	0.116	27%	0.272	C	S	.	.	S	Bend	trans	-113.5	149.4	169.8	-70.7	82	0	0	0	110.5	F53 D61 T157 L158 Y195	F53-H57 AromaticContact CD2-CE1 3.38Å; F53-H57 WeakPolarHBondContact CD2-CE1 3.42Å; F53-H57 AromaticContact CD2-ND1 3.6Å; F53-H57 AromaticContact CE2-CE1 3.08Å; F53-H57 WeakPolarHBondContact CE2-CE1 3.38Å; F53-H57 AromaticContact CE2-ND1 3.55Å; F53-H57 AromaticContact CE2-NE2 3.71Å; F53-H57 AromaticContact CG-ND1 3.93Å; F53-H57 AromaticContact CZ-CE1 3.6Å; F53-H57 AromaticContact CZ-ND1 3.76Å; F53-H57 AromaticContact CZ-NE2 3.96Å; F53-H57 PolarHBondContact O-N 3.26Å; F53-H57 PolarHBondContact O-ND1 2.86Å; H57-D61 IonicContact CD2-OD2 3.69Å; H57-T157 CarbonylContact O-C 3.49Å; H57-T157 VanDerWaalsContact O-CA 3.28Å; H57-T157 WeakPolarHBondContact O-CA 3.2Å; H57-L158 HydrophobicContact CB-CD1 3.83Å; H57-L158 HydrophobicContact CB-CG 4.12Å; H57-L158 PolarHBondContact O-N 3.07Å; H57-Y195 HydrophobicContact CB-CE1 4.18Å; H57-Y195 AromaticContact CD2-CE1 3.7Å; H57-Y195 AromaticContact CD2-CZ 3.78Å; H57-Y195 PolarHBondContact CD2-OH 2.96Å; H57-Y195 AromaticContact CG-CE1 3.88Å; H57-Y195 PolarHBondContact NE2-OH 2.89Å
58	T	98.1	Very high	93.9	Very high	41 Å²	41	55.4 Å²	55.4	25%	0.252	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-106.7	164.3	-173.1	68.4	0	0	0	0	112.1	Y60 D61 P154 S156 L158	T58-Y60 PolarHBondContact O-N 2.76Å; T58-Y60 WeakPolarHBondContact OG1-CB 3.21Å; T58-Y60 PolarHBondContact OG1-N 3.27Å; T58-D61 PolarHBondContact N-OD2 3.42Å; T58-D61 WeakPolarHBondContact O-CB 3.28Å; T58-D61 PolarHBondContact O-N 3.06Å; T58-D61 PolarHBondContact OG1-OD2 3.09Å; T58-P154 WeakPolarHBondContact CB-O 3.33Å; T58-S156 CarbonylContact C-O 3.57Å; T58-S156 WeakPolarHBondContact CA-O 3.19Å; T58-L158 VanDerWaalsContact O-CD2 3.25Å; T58-L158 WeakPolarHBondContact O-CD2 3.46Å
59	C	98	Very high	94.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.007	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-62.4	-27.8	173.5	-67.9	0	0	0	0	112.3	D61 L62 I152 T153 P154 S156 V175 L187	C59-D61 VanDerWaalsContact C-N 3.27Å; C59-D61 PolarHBondContact O-N 3.45Å; C59-L62 PolarHBondContact O-N 2.99Å; C59-I152 VanDerWaalsContact SG-CD1 3.58Å; C59-T153 WeakPolarHBondContact CB-O 3.33Å; C59-P154 PolarHBondContact N-O 3.02Å; C59-S156 PolarHBondContact N-O 3.41Å; C59-S156 PolarHBondContact SG-O 3.17Å; C59-V175 HydrophobicContact CB-CG1 4.41Å; C59-V175 HydrophobicContact CB-CG2 4.5Å; C59-L187 HydrophobicContact CB-CD1 4.16Å
60	Y	96.7	Very high	94.3	Very high	122 Å²	122	53.7 Å²	53.7	48%	0.478	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-58.4	-38.2	174.1	-173.1	-96.1	0	0	0	112.3	T58 L62 I63 P154	T58-Y60 PolarHBondContact O-N 2.76Å; T58-Y60 WeakPolarHBondContact OG1-CB 3.21Å; T58-Y60 PolarHBondContact OG1-N 3.27Å; Y60-L62 PolarHBondContact O-N 3.29Å; Y60-L62 VanDerWaalsContact O-N 3.1Å; Y60-I63 HydrophobicContact CD2-CD1 4.15Å; Y60-I63 WeakPolarHBondContact O-CB 3.36Å; Y60-I63 PolarHBondContact O-N 3.05Å; Y60-P154 HydrophobicContact CD2-CB 4.13Å; Y60-P154 PolarHBondContact N-O 2.97Å
61	D	96	Very high	94.5	Very high	67 Å²	67	56.5 Å²	56.5	36%	0.358	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-63.5	-21.2	-180	-55.3	-37	0	0	0	112.5	H57 T58 C59 Y195	H57-D61 IonicContact CD2-OD2 3.69Å; T58-D61 PolarHBondContact N-OD2 3.42Å; T58-D61 WeakPolarHBondContact O-CB 3.28Å; T58-D61 PolarHBondContact O-N 3.06Å; T58-D61 PolarHBondContact OG1-OD2 3.09Å; C59-D61 VanDerWaalsContact C-N 3.27Å; C59-D61 PolarHBondContact O-N 3.45Å; D61-Y195 HydrophobicContact CB-CE2 4.36Å
62	L	96.1	Very high	94.7	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.016	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-92.3	-3.1	173.6	-61.3	-171.1	0	0	0	113.6	C59 Y60 P64 L158 L187 R191 V192 Y195	C59-L62 PolarHBondContact O-N 2.99Å; Y60-L62 PolarHBondContact O-N 3.29Å; Y60-L62 VanDerWaalsContact O-N 3.1Å; L62-P64 VanDerWaalsContact O-CD 3.32Å; L62-P64 WeakPolarHBondContact O-CD 3.37Å; L62-L158 HydrophobicContact CD1-CD1 4.12Å; L62-L158 HydrophobicContact CD1-CD2 3.43Å; L62-L158 VanDerWaalsContact CD1-CD2 3.43Å; L62-L158 HydrophobicContact CD1-CG 4.42Å; L62-L158 HydrophobicContact CD2-CD1 4.32Å; L62-L158 HydrophobicContact CG-CD1 4.1Å; L62-L158 HydrophobicContact CG-CD2 3.7Å; L62-L187 HydrophobicContact CD1-CD1 3.88Å; L62-L187 HydrophobicContact CD1-CG 4.1Å; L62-R191 HydrophobicContact CB-CG 4.49Å; L62-R191 HydrophobicContact CD1-CG 4.44Å; L62-R191 HydrophobicContact CD2-CG 4.4Å; L62-R191 PolarHBondContact O-NE 3.38Å; L62-R191 PolarHBondContact O-NH2 2.89Å; L62-V192 HydrophobicContact CD1-CB 4.39Å; L62-V192 HydrophobicContact CD1-CG2 3.7Å; L62-Y195 HydrophobicContact CD2-CD1 4.03Å; L62-Y195 HydrophobicContact CD2-CD2 3.41Å; L62-Y195 VanDerWaalsContact CD2-CD2 3.41Å; L62-Y195 HydrophobicContact CD2-CE2 4.2Å; L62-Y195 HydrophobicContact CD2-CG 3.31Å
63	I	95.5	Very high	95	Very high	42 Å²	42	54.9 Å²	54.9	22%	0.215	29%	0.291	C	S	.	.			trans	-78.9	115.7	176.3	-57.9	178.7	0	0	0	108	Y60 P154 V175 L184 H185	Y60-I63 HydrophobicContact CD2-CD1 4.15Å; Y60-I63 WeakPolarHBondContact O-CB 3.36Å; Y60-I63 PolarHBondContact O-N 3.05Å; I63-P154 HydrophobicContact CD1-CB 4.3Å; I63-V175 HydrophobicContact CD1-CG1 4.15Å; I63-L184 HydrophobicContact CD1-CB 4.01Å; I63-L184 HydrophobicContact CD1-CD1 4.11Å; I63-H185 HydrophobicContact CG1-CB 3.99Å; I63-H185 HydrophobicContact CG2-CB 4.26Å
64	P	94	Very high	95.1	Very high	40 Å²	40	54.7 Å²	54.7	26%	0.26	29%	0.291	S	S	.	.			trans	-68.7	158.7	175.5	32.7	-35.9	0	0	0	110.4	L62 S66 A67	L62-P64 VanDerWaalsContact O-CD 3.32Å; L62-P64 WeakPolarHBondContact O-CD 3.37Å; P64-S66 WeakPolarHBondContact CG-O 3.13Å; P64-S66 PolarHBondContact O-N 3.02Å; P64-S66 VanDerWaalsContact O-N 3.08Å; P64-A67 HydrophobicContact CG-CB 3.71Å
65	L	91.2	Very high	95.1	Very high	197 Å²	197	58.3 Å²	58.3	100%	1.031	31%	0.313	S	S	*	.	S	Bend	trans	-54.5	-30.4	175.1	-66.1	174.1	0	0	0	113.2
66	S	90.8	Very high	95.1	Very high	107 Å²	107	55.6 Å²	55.6	75%	0.748	30%	0.303	S	S	*	.	S	Bend	trans	-141.9	134.7	172.9	-176.3	0	0	0	0	110.1	P64	P64-S66 WeakPolarHBondContact CG-O 3.13Å; P64-S66 PolarHBondContact O-N 3.02Å; P64-S66 VanDerWaalsContact O-N 3.08Å
67	A	88.9	Confident	95.2	Very high	49 Å²	49	56.1 Å²	56.1	41%	0.405	31%	0.306	S	S	.	.			trans	-143.3	151	171.3	0	0	0	0	0	110.3	P64 H185	P64-A67 HydrophobicContact CG-CB 3.71Å; A67-H185 WeakPolarHBondContact CB-ND1 3.48Å
68	K	91.2	Very high	95	Very high	127 Å²	127	55 Å²	55	55%	0.552	30%	0.301	S	S	*	.			trans	-91.8	123.8	168	-171.5	-178.6	-69.4	-173	0	109.2	N88	K68-N88 HydrophobicContact CD-CB 3.86Å; K68-N88 PolarHBondContact NZ-OD1 3.41Å
69	L	93.6	Very high	94.7	Very high	49 Å²	49	56 Å²	56	26%	0.257	30%	0.302	S	S	.	.			trans	-121.5	144	172.2	-172	142.4	0	0	0	108.6	V71 I94 P183 I186	L69-V71 HydrophobicContact CD2-CG2 3.6Å; L69-I94 HydrophobicContact CD1-CD1 4.08Å; L69-I94 HydrophobicContact CD2-CD1 4.13Å; L69-I94 HydrophobicContact CG-CD1 4.48Å; L69-P183 HydrophobicContact CD1-CB 3.9Å; L69-P183 HydrophobicContact CD2-CB 3.91Å; L69-P183 HydrophobicContact CD2-CG 3.73Å; L69-I186 HydrophobicContact CD1-CD1 4.16Å; L69-I186 HydrophobicContact CD1-CG1 4.17Å
70	I	96.2	Very high	94.4	Very high	19 Å²	19	62.4 Å²	62.4	10%	0.097	33%	0.329	C	S	.	.			trans	-118.3	129.5	178.4	-63.2	-166	0	0	0	109.3	F72 N88 V90 A93 I94	I70-F72 HydrophobicContact CG2-CD1 3.66Å; I70-F72 HydrophobicContact CG2-CD2 4.34Å; I70-F72 HydrophobicContact CG2-CE1 3.23Å; I70-F72 HydrophobicContact CG2-CE2 3.97Å; I70-F72 HydrophobicContact CG2-CG 4.2Å; I70-F72 HydrophobicContact CG2-CZ 3.4Å; I70-N88 HydrophobicContact CD1-CB 3.51Å; I70-V90 HydrophobicContact CB-CG2 4.39Å; I70-V90 HydrophobicContact CD1-CG2 3.32Å; I70-V90 HydrophobicContact CG1-CG2 3.77Å; I70-A93 HydrophobicContact CB-CB 4.25Å; I70-A93 HydrophobicContact CG2-CB 3.88Å; I70-A93 CarbonylContact O-C 3.56Å; I70-A93 VanDerWaalsContact O-CA 3.29Å; I70-A93 WeakPolarHBondContact O-CA 3.4Å; I70-I94 PolarHBondContact O-N 3.3Å
71	V	97.2	Very high	94.4	Very high	61 Å²	61	56.6 Å²	56.6	37%	0.37	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.6	168.5	-173.7	0	0	0	0	107.5	L69 I94 W96 P183	L69-V71 HydrophobicContact CD2-CG2 3.6Å; V71-I94 CarbonylContact C-O 3.59Å; V71-I94 VanDerWaalsContact CA-O 3.27Å; V71-I94 WeakPolarHBondContact CA-O 3.36Å; V71-I94 HydrophobicContact CG2-CB 4.42Å; V71-W96 HydrophobicContact CG1-CB 3.69Å; V71-P183 HydrophobicContact CG2-CG 3.93Å
72	F	97.6	Very high	94.3	Very high	19 Å²	19	53.5 Å²	53.5	8%	0.083	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136	171.9	-65.1	-39	0	0	0	109.8	I70 L76 A81 A84 L85 A93 I94 L95 W96 L107 I135	I70-F72 HydrophobicContact CG2-CD1 3.66Å; I70-F72 HydrophobicContact CG2-CD2 4.34Å; I70-F72 HydrophobicContact CG2-CE1 3.23Å; I70-F72 HydrophobicContact CG2-CE2 3.97Å; I70-F72 HydrophobicContact CG2-CG 4.2Å; I70-F72 HydrophobicContact CG2-CZ 3.4Å; F72-L76 HydrophobicContact CB-CD2 4.06Å; F72-L76 HydrophobicContact CD1-CD2 3.44Å; F72-L76 VanDerWaalsContact CD1-CD2 3.44Å; F72-L76 HydrophobicContact CD2-CD2 4.18Å; F72-L76 HydrophobicContact CE1-CD2 3.82Å; F72-L76 HydrophobicContact CG-CD2 3.65Å; F72-L76 HydrophobicContact CZ-CD2 4.35Å; F72-A81 HydrophobicContact CD2-CB 3.85Å; F72-A81 HydrophobicContact CE2-CB 3.72Å; F72-A81 WeakPolarHBondContact CE2-O 3.27Å; F72-A81 HydrophobicContact CZ-CB 4.39Å; F72-A81 WeakPolarHBondContact CZ-O 3.39Å; F72-A84 HydrophobicContact CE1-CB 3.98Å; F72-A84 HydrophobicContact CZ-CB 3.65Å; F72-L85 HydrophobicContact CE2-CD2 4.07Å; F72-L85 HydrophobicContact CE2-CG 3.98Å; F72-L85 HydrophobicContact CZ-CD2 4.39Å; F72-L85 HydrophobicContact CZ-CG 4.36Å; F72-A93 HydrophobicContact CD2-CB 3.29Å; F72-A93 HydrophobicContact CE2-CB 3.47Å; F72-A93 VanDerWaalsContact CE2-CB 3.47Å; F72-A93 HydrophobicContact CG-CB 4.01Å; F72-A93 HydrophobicContact CZ-CB 4.31Å; F72-I94 PolarHBondContact N-O 3.14Å; F72-L95 HydrophobicContact CB-CD2 4.18Å; F72-L95 WeakPolarHBondContact O-CA 3.41Å; F72-W96 PolarHBondContact O-N 3.05Å; F72-L107 HydrophobicContact CD2-CD2 4.24Å; F72-L107 HydrophobicContact CE2-CD2 4.45Å; F72-I135 HydrophobicContact CB-CD1 4.03Å; F72-I135 HydrophobicContact CD2-CD1 4.35Å
73	D	97.6	Very high	94.1	Very high	37 Å²	37	58 Å²	58	20%	0.198	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	142.2	162.2	-174.6	-94	0	0	0	110.1	T75 L76 W96 S98	D73-T75 PolarHBondContact O-N 3.38Å; D73-T75 VanDerWaalsContact O-N 3.13Å; D73-T75 WeakPolarHBondContact OD1-CB 3.17Å; D73-T75 WeakPolarHBondContact OD1-CG2 3.3Å; D73-T75 PolarHBondContact OD1-N 3.02Å; D73-T75 PolarHBondContact OD1-OG1 3.2Å; D73-L76 VanDerWaalsContact O-CB 3.28Å; D73-L76 WeakPolarHBondContact O-CB 3.44Å; D73-L76 PolarHBondContact O-N 3.11Å; D73-W96 CarbonylContact C-O 3.54Å; D73-W96 WeakPolarHBondContact CA-O 3.18Å; D73-S98 WeakPolarHBondContact OD2-CB 3.34Å; D73-S98 PolarHBondContact OD2-N 2.8Å; D73-S98 VanDerWaalsContact OD2-N 3.16Å; D73-S98 PolarHBondContact OD2-OG 3.11Å
74	V	96	Very high	94	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.018	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.2	-178.1	-66.2	0	0	0	0	114	L76 L95 W96 D97 I104 I135 K136	V74-L76 VanDerWaalsContact C-N 3.26Å; V74-L76 PolarHBondContact O-N 3.33Å; V74-L95 HydrophobicContact CG1-CB 4.28Å; V74-W96 WeakPolarHBondContact CG1-O 3.33Å; V74-W96 PolarHBondContact N-O 2.77Å; V74-D97 HydrophobicContact CG2-CB 4.42Å; V74-I104 HydrophobicContact CG1-CD1 3.57Å; V74-I104 HydrophobicContact CG1-CG1 4.17Å; V74-I135 HydrophobicContact CG1-CG2 4.46Å; V74-I135 WeakPolarHBondContact O-CB 3.39Å; V74-I135 PolarHBondContact O-N 2.86Å; V74-K136 HydrophobicContact CB-CB 4.05Å; V74-K136 HydrophobicContact CG2-CB 4.2Å; V74-K136 HydrophobicContact CG2-CD 4.4Å; V74-K136 PolarHBondContact O-N 3.47Å
75	T	96	Very high	94.1	Very high	75 Å²	75	55.2 Å²	55.2	46%	0.46	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-7.6	173	66.4	0	0	0	0	113.4	D73 Q134	D73-T75 PolarHBondContact O-N 3.38Å; D73-T75 VanDerWaalsContact O-N 3.13Å; D73-T75 WeakPolarHBondContact OD1-CB 3.17Å; D73-T75 WeakPolarHBondContact OD1-CG2 3.3Å; D73-T75 PolarHBondContact OD1-N 3.02Å; D73-T75 PolarHBondContact OD1-OG1 3.2Å; T75-Q134 VanDerWaalsContact O-CG 3.22Å; T75-Q134 WeakPolarHBondContact O-CG 3.35Å; T75-Q134 PolarHBondContact O-NE2 3.33Å
76	L	96.6	Very high	94.1	Very high	50 Å²	50	47.4 Å²	47.4	26%	0.262	26%	0.257	S	S	.	.	S	Bend	trans	-68.4	136.4	176.3	-176	64.4	0	0	0	111	F72 D73 V74 K80 A81 Q134 I135	F72-L76 HydrophobicContact CB-CD2 4.06Å; F72-L76 HydrophobicContact CD1-CD2 3.44Å; F72-L76 VanDerWaalsContact CD1-CD2 3.44Å; F72-L76 HydrophobicContact CD2-CD2 4.18Å; F72-L76 HydrophobicContact CE1-CD2 3.82Å; F72-L76 HydrophobicContact CG-CD2 3.65Å; F72-L76 HydrophobicContact CZ-CD2 4.35Å; D73-L76 VanDerWaalsContact O-CB 3.28Å; D73-L76 WeakPolarHBondContact O-CB 3.44Å; D73-L76 PolarHBondContact O-N 3.11Å; V74-L76 VanDerWaalsContact C-N 3.26Å; V74-L76 PolarHBondContact O-N 3.33Å; L76-K80 HydrophobicContact CD1-CB 3.97Å; L76-K80 HydrophobicContact CD1-CD 4.25Å; L76-K80 HydrophobicContact CG-CB 4.38Å; L76-A81 HydrophobicContact CD2-CB 3.9Å; L76-A81 HydrophobicContact CG-CB 4.37Å; L76-Q134 WeakPolarHBondContact O-CA 2.88Å; L76-I135 HydrophobicContact CB-CD1 4.11Å; L76-I135 WeakPolarHBondContact O-CG1 3.4Å; L76-I135 PolarHBondContact O-N 3.13Å
77	N	94.7	Very high	94.1	Very high	45 Å²	45	50.9 Å²	50.9	24%	0.241	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-64	137.9	174.1	-70.3	8.4	0	0	0	111.6	K79 K80 A81 E131	N77-K79 VanDerWaalsContact C-N 3.35Å; N77-K79 PolarHBondContact O-N 3.38Å; N77-K80 HydrophobicContact CB-CD 4.49Å; N77-K80 HydrophobicContact CB-CG 4.39Å; N77-K80 WeakPolarHBondContact O-CB 3.43Å; N77-K80 PolarHBondContact O-N 3.01Å; N77-A81 PolarHBondContact O-N 3.06Å; N77-E131 PolarHBondContact ND2-O 2.67Å
78	V	93.3	Very high	94.3	Very high	1 Å²	1	51 Å²	51	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-41	-176.1	165.1	0	0	0	0	113	K80 A81 F82 I115 L130 H133 I135 W138	V78-K80 VanDerWaalsContact C-N 3.29Å; V78-K80 PolarHBondContact O-N 3.43Å; V78-A81 WeakPolarHBondContact O-CB 3.33Å; V78-A81 PolarHBondContact O-N 3.06Å; V78-A81 VanDerWaalsContact O-N 3.14Å; V78-F82 HydrophobicContact CG1-CD2 3.52Å; V78-F82 HydrophobicContact CG1-CE2 3.53Å; V78-F82 WeakPolarHBondContact O-CD2 3.34Å; V78-F82 PolarHBondContact O-N 3.24Å; V78-I115 HydrophobicContact CG1-CD1 3.9Å; V78-I115 HydrophobicContact CG2-CD1 4.4Å; V78-L130 HydrophobicContact CB-CD1 4.41Å; V78-L130 HydrophobicContact CG1-CD1 3.55Å; V78-H133 PolarHBondContact N-O 3.14Å; V78-H133 VanDerWaalsContact N-O 3.13Å; V78-I135 HydrophobicContact CG2-CB 4.44Å; V78-I135 HydrophobicContact CG2-CG1 3.81Å; V78-W138 HydrophobicContact CG2-CG 3.97Å
79	K	91.5	Very high	94.3	Very high	63 Å²	63	47.4 Å²	47.4	27%	0.274	25%	0.247	S	C	.	.	H	α-helix	trans	-53.1	-46.8	172.9	177.8	176.8	-178.8	171.1	0	112.1	N77 F83 L130 E131 Y275	N77-K79 VanDerWaalsContact C-N 3.35Å; N77-K79 PolarHBondContact O-N 3.38Å; K79-F83 WeakPolarHBondContact O-CB 3.42Å; K79-F83 PolarHBondContact O-N 3.28Å; K79-F83 VanDerWaalsContact O-N 3.1Å; K79-L130 PolarHBondContact N-O 3.46Å; K79-E131 HydrophobicContact CD-CB 4.14Å; K79-E131 HydrophobicContact CD-CG 4.05Å; K79-E131 VanDerWaalsContact NZ-CD 3.33Å; K79-E131 IonicContact NZ-OE1 3.96Å; K79-E131 PolarHBondContact NZ-OE1 3.47Å; K79-E131 IonicContact NZ-OE2 3.54Å; K79-Y275 WeakPolarHBondContact CD-OH 3.47Å; K79-Y275 WeakPolarHBondContact CE-OH 3.46Å
80	K	92.6	Very high	94.2	Very high	135 Å²	135	46.2 Å²	46.2	59%	0.587	24%	0.242	S	C	*	.	H	α-helix	trans	-67.8	-39.6	178.8	-67.5	-176.9	179.2	178.2	0	111.2	L76 N77 V78 F83 A84	L76-K80 HydrophobicContact CD1-CB 3.97Å; L76-K80 HydrophobicContact CD1-CD 4.25Å; L76-K80 HydrophobicContact CG-CB 4.38Å; N77-K80 HydrophobicContact CB-CD 4.49Å; N77-K80 HydrophobicContact CB-CG 4.39Å; N77-K80 WeakPolarHBondContact O-CB 3.43Å; N77-K80 PolarHBondContact O-N 3.01Å; V78-K80 VanDerWaalsContact C-N 3.29Å; V78-K80 PolarHBondContact O-N 3.43Å; K80-F83 PolarHBondContact O-N 3.31Å; K80-A84 VanDerWaalsContact O-CB 3.23Å; K80-A84 WeakPolarHBondContact O-CB 3.45Å; K80-A84 PolarHBondContact O-N 3.05Å
81	A	95.4	Very high	94	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-50.4	178.9	0	0	0	0	0	112.1	F72 L76 N77 V78 A84 L85 L107 I135	F72-A81 HydrophobicContact CD2-CB 3.85Å; F72-A81 HydrophobicContact CE2-CB 3.72Å; F72-A81 WeakPolarHBondContact CE2-O 3.27Å; F72-A81 HydrophobicContact CZ-CB 4.39Å; F72-A81 WeakPolarHBondContact CZ-O 3.39Å; L76-A81 HydrophobicContact CD2-CB 3.9Å; L76-A81 HydrophobicContact CG-CB 4.37Å; N77-A81 PolarHBondContact O-N 3.06Å; V78-A81 WeakPolarHBondContact O-CB 3.33Å; V78-A81 PolarHBondContact O-N 3.06Å; V78-A81 VanDerWaalsContact O-N 3.14Å; A81-A84 PolarHBondContact O-N 3.1Å; A81-L85 WeakPolarHBondContact O-CG 3.39Å; A81-L85 PolarHBondContact O-N 2.91Å; A81-L107 HydrophobicContact CB-CD2 3.67Å; A81-I135 HydrophobicContact CB-CD1 3.93Å; A81-I135 HydrophobicContact CB-CG1 4.4Å
82	F	94.4	Very high	93.9	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	24%	0.237	C	C	.	.	H	α-helix	trans	-68.4	-37.9	178.5	-77.2	-65.9	0	0	0	112.8	V78 A84 L85 V86 L107 T108 F112 I115 A270	V78-F82 HydrophobicContact CG1-CD2 3.52Å; V78-F82 HydrophobicContact CG1-CE2 3.53Å; V78-F82 WeakPolarHBondContact O-CD2 3.34Å; V78-F82 PolarHBondContact O-N 3.24Å; F82-A84 VanDerWaalsContact C-N 3.32Å; F82-A84 PolarHBondContact O-N 3.15Å; F82-L85 HydrophobicContact CD1-CD1 3.84Å; F82-L85 HydrophobicContact CE1-CD1 3.99Å; F82-L85 PolarHBondContact O-N 3.48Å; F82-V86 WeakPolarHBondContact O-CG2 3.49Å; F82-V86 PolarHBondContact O-N 2.82Å; F82-V86 VanDerWaalsContact O-N 3.09Å; F82-L107 HydrophobicContact CE1-CD2 4.49Å; F82-L107 HydrophobicContact CE1-CG 4.33Å; F82-L107 HydrophobicContact CE2-CD1 4.29Å; F82-L107 HydrophobicContact CE2-CD2 4.39Å; F82-L107 HydrophobicContact CZ-CD1 3.88Å; F82-L107 HydrophobicContact CZ-CD2 4.15Å; F82-L107 HydrophobicContact CZ-CG 3.91Å; F82-T108 WeakPolarHBondContact CE1-O 3.46Å; F82-T108 WeakPolarHBondContact CZ-O 3.29Å; F82-F112 HydrophobicContact CD1-CB 4.1Å; F82-F112 HydrophobicContact CD1-CD1 4.42Å; F82-F112 HydrophobicContact CD1-CD2 4.43Å; F82-F112 HydrophobicContact CD1-CG 4.07Å; F82-F112 HydrophobicContact CD2-CB 4.32Å; F82-F112 AromaticContact CD2-CD2 3.49Å; F82-F112 HydrophobicContact CD2-CD2 3.49Å; F82-F112 VanDerWaalsContact CD2-CD2 3.49Å; F82-F112 HydrophobicContact CD2-CE2 4.01Å; F82-F112 AromaticContact CD2-CG 3.96Å; F82-F112 HydrophobicContact CD2-CG 3.96Å; F82-F112 HydrophobicContact CE1-CB 3.54Å; F82-F112 HydrophobicContact CE1-CD2 4.49Å; F82-F112 HydrophobicContact CE1-CG 4.01Å; F82-F112 HydrophobicContact CE2-CB 3.74Å; F82-F112 AromaticContact CE2-CD2 3.52Å; F82-F112 HydrophobicContact CE2-CD2 3.52Å; F82-F112 HydrophobicContact CE2-CE2 4.44Å; F82-F112 AromaticContact CE2-CG 3.84Å; F82-F112 HydrophobicContact CE2-CG 3.84Å; F82-F112 HydrophobicContact CG-CB 4.49Å; F82-F112 AromaticContact CG-CD2 3.99Å; F82-F112 HydrophobicContact CG-CD2 3.99Å; F82-F112 HydrophobicContact CG-CE2 4.39Å; F82-F112 HydrophobicContact CG-CG 4.09Å; F82-F112 HydrophobicContact CZ-CB 3.35Å; F82-F112 HydrophobicContact CZ-CD2 4.08Å; F82-F112 AromaticContact CZ-CG 3.91Å; F82-F112 HydrophobicContact CZ-CG 3.91Å; F82-I115 HydrophobicContact CE2-CD1 4.4Å; F82-A270 HydrophobicContact CB-CB 3.78Å
83	F	92.2	Very high	93.8	Very high	97 Å²	97	45.9 Å²	45.9	43%	0.425	23%	0.233	S	C	.	.	H	α-helix	trans	-58.7	-45	171.2	-176.4	-93.5	0	0	0	111.5	K79 K80 L85 V86 Y87	K79-F83 WeakPolarHBondContact O-CB 3.42Å; K79-F83 PolarHBondContact O-N 3.28Å; K79-F83 VanDerWaalsContact O-N 3.1Å; K80-F83 PolarHBondContact O-N 3.31Å; F83-L85 PolarHBondContact O-N 3.05Å; F83-V86 PolarHBondContact O-N 2.85Å; F83-Y87 WeakPolarHBondContact O-CB 3.27Å; F83-Y87 PolarHBondContact O-N 3.45Å
84	A	93.8	Very high	93.8	Very high	23 Å²	23	44.1 Å²	44.1	19%	0.19	22%	0.224	C	C	.	.	H	α-helix	trans	-65.7	-35.5	178.6	0	0	0	0	0	112.8	F72 K80 A81 F82 N88	F72-A84 HydrophobicContact CE1-CB 3.98Å; F72-A84 HydrophobicContact CZ-CB 3.65Å; K80-A84 VanDerWaalsContact O-CB 3.23Å; K80-A84 WeakPolarHBondContact O-CB 3.45Å; K80-A84 PolarHBondContact O-N 3.05Å; A81-A84 PolarHBondContact O-N 3.1Å; F82-A84 VanDerWaalsContact C-N 3.32Å; F82-A84 PolarHBondContact O-N 3.15Å; A84-N88 WeakPolarHBondContact O-CB 3.45Å; A84-N88 PolarHBondContact O-N 2.79Å; A84-N88 VanDerWaalsContact O-N 3.12Å; A84-N88 PolarHBondContact O-ND2 3.08Å
85	L	94.8	Very high	93.8	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-49.5	172.1	-72.4	177.4	0	0	0	111.1	F72 A81 F82 F83 N88 G89 V90 A93 I267	F72-L85 HydrophobicContact CE2-CD2 4.07Å; F72-L85 HydrophobicContact CE2-CG 3.98Å; F72-L85 HydrophobicContact CZ-CD2 4.39Å; F72-L85 HydrophobicContact CZ-CG 4.36Å; A81-L85 WeakPolarHBondContact O-CG 3.39Å; A81-L85 PolarHBondContact O-N 2.91Å; F82-L85 HydrophobicContact CD1-CD1 3.84Å; F82-L85 HydrophobicContact CE1-CD1 3.99Å; F82-L85 PolarHBondContact O-N 3.48Å; F83-L85 PolarHBondContact O-N 3.05Å; L85-N88 PolarHBondContact O-N 3.37Å; L85-G89 PolarHBondContact O-N 3.36Å; L85-G89 VanDerWaalsContact O-N 3.12Å; L85-V90 CarbonylContact C-O 3.51Å; L85-V90 HydrophobicContact CD2-CG2 3.63Å; L85-V90 PolarHBondContact O-N 2.99Å; L85-A93 HydrophobicContact CD2-CB 3.88Å; L85-I267 HydrophobicContact CB-CD1 4.13Å
86	V	91.4	Very high	93.9	Very high	34 Å²	34	43.6 Å²	43.6	21%	0.206	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-50.2	179.2	178.6	0	0	0	0	111.2	F82 F83 N88 G89 I267 A271	F82-V86 WeakPolarHBondContact O-CG2 3.49Å; F82-V86 PolarHBondContact O-N 2.82Å; F82-V86 VanDerWaalsContact O-N 3.09Å; F83-V86 PolarHBondContact O-N 2.85Å; V86-N88 PolarHBondContact O-N 2.93Å; V86-N88 VanDerWaalsContact O-N 3.12Å; V86-G89 PolarHBondContact O-N 2.97Å; V86-I267 HydrophobicContact CG2-CB 4.42Å; V86-I267 HydrophobicContact CG2-CD1 3.79Å; V86-I267 HydrophobicContact CG2-CG1 3.63Å; V86-I267 HydrophobicContact CG2-CG2 4.24Å; V86-I267 WeakPolarHBondContact CG2-O 3.32Å; V86-A271 HydrophobicContact CB-CB 4.19Å; V86-A271 HydrophobicContact CG1-CB 3.48Å; V86-A271 VanDerWaalsContact CG1-CB 3.48Å; V86-A271 HydrophobicContact CG2-CB 4.16Å
87	Y	91.8	Very high	93.8	Very high	180 Å²	180	41.8 Å²	41.8	71%	0.706	20%	0.204	S	C	*	.	H	α-helix	trans	-55.1	-34.3	-179.9	-176.2	-97.3	0	0	0	112.3	F83	F83-Y87 WeakPolarHBondContact O-CB 3.27Å; F83-Y87 PolarHBondContact O-N 3.45Å
88	N	92.1	Very high	93.9	Very high	50 Å²	50	42.5 Å²	42.5	27%	0.267	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	0.2	179.2	-77.2	-73.8	0	0	0	115	K68 I70 A84 L85 V86 V90	K68-N88 HydrophobicContact CD-CB 3.86Å; K68-N88 PolarHBondContact NZ-OD1 3.41Å; I70-N88 HydrophobicContact CD1-CB 3.51Å; A84-N88 WeakPolarHBondContact O-CB 3.45Å; A84-N88 PolarHBondContact O-N 2.79Å; A84-N88 VanDerWaalsContact O-N 3.12Å; A84-N88 PolarHBondContact O-ND2 3.08Å; L85-N88 PolarHBondContact O-N 3.37Å; V86-N88 PolarHBondContact O-N 2.93Å; V86-N88 VanDerWaalsContact O-N 3.12Å; N88-V90 HydrophobicContact CB-CG2 4.08Å; N88-V90 PolarHBondContact O-N 2.98Å
89	G	90.6	Very high	94	Very high	52 Å²	52	48.1 Å²	48.1	54%	0.536	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	16	-179.5	0	0	0	0	0	114.5	L85 V86 R91	L85-G89 PolarHBondContact O-N 3.36Å; L85-G89 VanDerWaalsContact O-N 3.12Å; V86-G89 PolarHBondContact O-N 2.97Å; G89-R91 PolarHBondContact O-NH1 3.32Å
90	V	92.3	Very high	94	Very high	24 Å²	24	50.2 Å²	50.2	15%	0.145	26%	0.257	C	S	.	.			trans	-104	157.6	178.4	-62.7	0	0	0	0	110.5	I70 L85 N88	I70-V90 HydrophobicContact CB-CG2 4.39Å; I70-V90 HydrophobicContact CD1-CG2 3.32Å; I70-V90 HydrophobicContact CG1-CG2 3.77Å; L85-V90 CarbonylContact C-O 3.51Å; L85-V90 HydrophobicContact CD2-CG2 3.63Å; L85-V90 PolarHBondContact O-N 2.99Å; N88-V90 HydrophobicContact CB-CG2 4.08Å; N88-V90 PolarHBondContact O-N 2.98Å
91	R	91.6	Very high	94.1	Very high	86 Å²	86	49.8 Å²	49.8	33%	0.325	26%	0.258	S	S	.	.	S	Bend	trans	-120	1.8	-173.1	-63.4	157.4	178.3	81.5	-5.6	113.1	G89 I109 F264	G89-R91 PolarHBondContact O-NH1 3.32Å; R91-I109 HydrophobicContact CB-CD1 4.05Å; R91-I109 HydrophobicContact CG-CD1 4.14Å; R91-F264 HydrophobicContact CG-CD2 3.9Å; R91-F264 HydrophobicContact CG-CE2 3.85Å
92	V	95.1	Very high	94	Very high	7 Å²	7	55 Å²	55	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	142.9	177.3	66.3	0	0	0	0	108.5	T106 L107 T108 I186	V92-T106 HydrophobicContact CG2-CG2 4.12Å; V92-L107 VanDerWaalsContact CA-O 3.28Å; V92-L107 WeakPolarHBondContact CA-O 3.39Å; V92-T108 HydrophobicContact CG2-CG2 3.93Å; V92-I186 HydrophobicContact CG1-CB 4.42Å; V92-I186 HydrophobicContact CG1-CD1 3.96Å; V92-I186 HydrophobicContact CG1-CG1 3.83Å; V92-I186 HydrophobicContact CG1-CG2 3.83Å
93	A	96.9	Very high	94.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147.4	162.2	0	0	0	0	0	109	I70 F72 L85 T106 L107	I70-A93 HydrophobicContact CB-CB 4.25Å; I70-A93 HydrophobicContact CG2-CB 3.88Å; I70-A93 CarbonylContact O-C 3.56Å; I70-A93 VanDerWaalsContact O-CA 3.29Å; I70-A93 WeakPolarHBondContact O-CA 3.4Å; F72-A93 HydrophobicContact CD2-CB 3.29Å; F72-A93 HydrophobicContact CE2-CB 3.47Å; F72-A93 VanDerWaalsContact CE2-CB 3.47Å; F72-A93 HydrophobicContact CG-CB 4.01Å; F72-A93 HydrophobicContact CZ-CB 4.31Å; L85-A93 HydrophobicContact CD2-CB 3.88Å; A93-T106 CarbonylContact O-C 3.6Å; A93-T106 WeakPolarHBondContact O-CA 3.04Å; A93-L107 PolarHBondContact N-O 3.03Å; A93-L107 PolarHBondContact O-N 3.31Å
94	I	96.9	Very high	94.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	141.6	166.2	-60.7	176.1	0	0	0	107.4	L69 I70 V71 F72 H103 P174 P183 I186	L69-I94 HydrophobicContact CD1-CD1 4.08Å; L69-I94 HydrophobicContact CD2-CD1 4.13Å; L69-I94 HydrophobicContact CG-CD1 4.48Å; I70-I94 PolarHBondContact O-N 3.3Å; V71-I94 CarbonylContact C-O 3.59Å; V71-I94 VanDerWaalsContact CA-O 3.27Å; V71-I94 WeakPolarHBondContact CA-O 3.36Å; V71-I94 HydrophobicContact CG2-CB 4.42Å; F72-I94 PolarHBondContact N-O 3.14Å; I94-H103 HydrophobicContact CG2-CB 4.03Å; I94-H103 WeakPolarHBondContact CG2-ND1 3.23Å; I94-P174 HydrophobicContact CD1-CB 3.88Å; I94-P174 HydrophobicContact CD1-CG 4.26Å; I94-P174 HydrophobicContact CG1-CB 4.41Å; I94-P174 HydrophobicContact CG1-CG 4.25Å; I94-P183 HydrophobicContact CD1-CB 3.29Å; I94-P183 HydrophobicContact CD1-CG 4.08Å; I94-I186 HydrophobicContact CD1-CD1 4.12Å; I94-I186 HydrophobicContact CG1-CD1 4.21Å
95	L	96.6	Very high	94.1	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126	-179.3	-63.5	-178.8	0	0	0	110.2	F72 V74 H103 I104 G105 L107 I135	F72-L95 HydrophobicContact CB-CD2 4.18Å; F72-L95 WeakPolarHBondContact O-CA 3.41Å; V74-L95 HydrophobicContact CG1-CB 4.28Å; L95-H103 CarbonylContact O-C 3.55Å; L95-H103 VanDerWaalsContact O-CA 3.26Å; L95-H103 WeakPolarHBondContact O-CA 3.42Å; L95-I104 HydrophobicContact CB-CG1 4.04Å; L95-I104 PolarHBondContact O-N 3.19Å; L95-G105 PolarHBondContact N-O 2.56Å; L95-L107 HydrophobicContact CD1-CB 4.29Å; L95-L107 HydrophobicContact CD2-CB 3.88Å; L95-L107 HydrophobicContact CG-CB 4.21Å; L95-I135 HydrophobicContact CD1-CG2 3.75Å; L95-I135 HydrophobicContact CD2-CD1 3.96Å; L95-I135 HydrophobicContact CD2-CG2 3.91Å; L95-I135 HydrophobicContact CG-CG2 4.47Å
96	W	96.9	Very high	94.2	Very high	66 Å²	66	54.2 Å²	54.2	25%	0.25	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.6	173	179	-101.1	0	0	0	109.7	V71 F72 D73 V74 Q101 K102 H103	V71-W96 HydrophobicContact CG1-CB 3.69Å; F72-W96 PolarHBondContact O-N 3.05Å; D73-W96 CarbonylContact C-O 3.54Å; D73-W96 WeakPolarHBondContact CA-O 3.18Å; V74-W96 WeakPolarHBondContact CG1-O 3.33Å; V74-W96 PolarHBondContact N-O 2.77Å; W96-Q101 HydrophobicContact CH2-CB 4.44Å; W96-Q101 WeakPolarHBondContact CH2-O 3.35Å; W96-Q101 VanDerWaalsContact CZ2-C 3.45Å; W96-Q101 HydrophobicContact CZ2-CB 4.13Å; W96-K102 VanDerWaalsContact CZ3-CA 3.42Å; W96-H103 AromaticContact CE3-CE1 3.53Å; W96-H103 AromaticContact CE3-ND1 3.56Å; W96-H103 AromaticContact CE3-NE2 3.99Å
97	D	95.6	Very high	94.3	Very high	11 Å²	11	53 Å²	53	6%	0.059	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	108.9	169.5	-168.4	-50.3	0	0	0	109	V74 T99 E100 Q101 K102 I104	V74-D97 HydrophobicContact CG2-CB 4.42Å; D97-T99 PolarHBondContact O-N 2.49Å; D97-T99 WeakPolarHBondContact OD1-CA 3.4Å; D97-T99 VanDerWaalsContact OD1-CB 3.28Å; D97-T99 WeakPolarHBondContact OD1-CB 3.18Å; D97-T99 PolarHBondContact OD1-N 2.85Å; D97-E100 HydrophobicContact CB-CB 4.15Å; D97-E100 PolarHBondContact O-N 2.88Å; D97-E100 PolarHBondContact OD1-N 2.71Å; D97-Q101 WeakPolarHBondContact O-CA 3.26Å; D97-Q101 PolarHBondContact O-N 3.2Å; D97-K102 PolarHBondContact N-O 3.25Å; D97-K102 PolarHBondContact O-N 2.74Å; D97-I104 HydrophobicContact CB-CD1 4.27Å; D97-I104 HydrophobicContact CB-CG1 4.39Å; D97-I104 HydrophobicContact CB-CG2 3.65Å
98	S	95.8	Very high	94.5	Very high	60 Å²	60	45.9 Å²	45.9	42%	0.42	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.9	178.6	-69.4	0	0	0	0	114.2	D73 Q101	D73-S98 WeakPolarHBondContact OD2-CB 3.34Å; D73-S98 PolarHBondContact OD2-N 2.8Å; D73-S98 VanDerWaalsContact OD2-N 3.16Å; D73-S98 PolarHBondContact OD2-OG 3.11Å; S98-Q101 PolarHBondContact O-NE2 3.11Å
99	T	95.2	Very high	94.6	Very high	120 Å²	120	44.3 Å²	44.3	74%	0.736	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-44	173.9	-56.1	0	0	0	0	110.6	D97	D97-T99 PolarHBondContact O-N 2.49Å; D97-T99 WeakPolarHBondContact OD1-CA 3.4Å; D97-T99 VanDerWaalsContact OD1-CB 3.28Å; D97-T99 WeakPolarHBondContact OD1-CB 3.18Å; D97-T99 PolarHBondContact OD1-N 2.85Å
100	E	93	Very high	94.7	Very high	106 Å²	106	44.1 Å²	44.1	50%	0.495	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-8	-179.9	-59.6	-173.2	-171.4	0	0	113.9	D97 K102	D97-E100 HydrophobicContact CB-CB 4.15Å; D97-E100 PolarHBondContact O-N 2.88Å; D97-E100 PolarHBondContact OD1-N 2.71Å; E100-K102 VanDerWaalsContact C-N 3.29Å; E100-K102 HydrophobicContact CB-CD 4.32Å; E100-K102 HydrophobicContact CB-CG 4.08Å; E100-K102 PolarHBondContact O-N 3.37Å; E100-K102 WeakPolarHBondContact OE2-CE 3.31Å; E100-K102 IonicContact OE2-NZ 2.96Å; E100-K102 PolarHBondContact OE2-NZ 3.45Å
101	Q	94.3	Very high	94.7	Very high	127 Å²	127	45 Å²	45	59%	0.593	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	44.9	-177.4	-66.7	-70.9	-56.3	0	0	112.9	W96 D97 S98	W96-Q101 HydrophobicContact CH2-CB 4.44Å; W96-Q101 WeakPolarHBondContact CH2-O 3.35Å; W96-Q101 VanDerWaalsContact CZ2-C 3.45Å; W96-Q101 HydrophobicContact CZ2-CB 4.13Å; D97-Q101 WeakPolarHBondContact O-CA 3.26Å; D97-Q101 PolarHBondContact O-N 3.2Å; S98-Q101 PolarHBondContact O-NE2 3.11Å
102	K	94	Very high	94.9	Very high	109 Å²	109	41 Å²	41	47%	0.474	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	162.3	179.1	74.5	-172.9	-171.6	-148.2	0	113.6	W96 D97 E100 I104	W96-K102 VanDerWaalsContact CZ3-CA 3.42Å; D97-K102 PolarHBondContact N-O 3.25Å; D97-K102 PolarHBondContact O-N 2.74Å; E100-K102 VanDerWaalsContact C-N 3.29Å; E100-K102 HydrophobicContact CB-CD 4.32Å; E100-K102 HydrophobicContact CB-CG 4.08Å; E100-K102 PolarHBondContact O-N 3.37Å; E100-K102 WeakPolarHBondContact OE2-CE 3.31Å; E100-K102 IonicContact OE2-NZ 2.96Å; E100-K102 PolarHBondContact OE2-NZ 3.45Å; K102-I104 HydrophobicContact CG-CG2 3.87Å
103	H	94.9	Very high	94.9	Very high	34 Å²	34	40.7 Å²	40.7	16%	0.157	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.3	168.6	-61.1	-62.2	0	0	0	110.6	I94 L95 W96 L149 G181	I94-H103 HydrophobicContact CG2-CB 4.03Å; I94-H103 WeakPolarHBondContact CG2-ND1 3.23Å; L95-H103 CarbonylContact O-C 3.55Å; L95-H103 VanDerWaalsContact O-CA 3.26Å; L95-H103 WeakPolarHBondContact O-CA 3.42Å; W96-H103 AromaticContact CE3-CE1 3.53Å; W96-H103 AromaticContact CE3-ND1 3.56Å; W96-H103 AromaticContact CE3-NE2 3.99Å; H103-L149 HydrophobicContact CB-CD2 3.52Å; H103-G181 PolarHBondContact CD2-O 3.18Å; H103-G181 PolarHBondContact NE2-O 3.48Å
104	I	93.5	Very high	94.7	Very high	26 Å²	26	41.8 Å²	41.8	13%	0.133	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-9.4	-172.7	65.1	158.4	0	0	0	114.4	V74 L95 D97 K102 R139	V74-I104 HydrophobicContact CG1-CD1 3.57Å; V74-I104 HydrophobicContact CG1-CG1 4.17Å; L95-I104 HydrophobicContact CB-CG1 4.04Å; L95-I104 PolarHBondContact O-N 3.19Å; D97-I104 HydrophobicContact CB-CD1 4.27Å; D97-I104 HydrophobicContact CB-CG1 4.39Å; D97-I104 HydrophobicContact CB-CG2 3.65Å; K102-I104 HydrophobicContact CG-CG2 3.87Å; I104-R139 PolarHBondContact O-NH2 2.79Å
105	G	94.2	Very high	94.5	Very high	1 Å²	1	42 Å²	42	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.9	-161.4	-177.6	0	0	0	0	0	113.3	L95	L95-G105 PolarHBondContact N-O 2.56Å
106	T	95.2	Very high	94.4	Very high	44 Å²	44	42 Å²	42	27%	0.27	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.7	176.7	57.4	0	0	0	0	110.4	V92 A93 L149 P174	V92-T106 HydrophobicContact CG2-CG2 4.12Å; A93-T106 CarbonylContact O-C 3.6Å; A93-T106 WeakPolarHBondContact O-CA 3.04Å; T106-L149 HydrophobicContact CG2-CD1 3.99Å; T106-P174 HydrophobicContact CG2-CG 3.74Å
107	L	95	Very high	94.1	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.6	168.2	-176.7	73.6	0	0	0	109.2	F72 A81 F82 V92 A93 L95 D111 I135	F72-L107 HydrophobicContact CD2-CD2 4.24Å; F72-L107 HydrophobicContact CE2-CD2 4.45Å; A81-L107 HydrophobicContact CB-CD2 3.67Å; F82-L107 HydrophobicContact CE1-CD2 4.49Å; F82-L107 HydrophobicContact CE1-CG 4.33Å; F82-L107 HydrophobicContact CE2-CD1 4.29Å; F82-L107 HydrophobicContact CE2-CD2 4.39Å; F82-L107 HydrophobicContact CZ-CD1 3.88Å; F82-L107 HydrophobicContact CZ-CD2 4.15Å; F82-L107 HydrophobicContact CZ-CG 3.91Å; V92-L107 VanDerWaalsContact CA-O 3.28Å; V92-L107 WeakPolarHBondContact CA-O 3.39Å; A93-L107 PolarHBondContact N-O 3.03Å; A93-L107 PolarHBondContact O-N 3.31Å; L95-L107 HydrophobicContact CD1-CB 4.29Å; L95-L107 HydrophobicContact CD2-CB 3.88Å; L95-L107 HydrophobicContact CG-CB 4.21Å; L107-D111 HydrophobicContact CD1-CB 3.92Å; L107-I135 HydrophobicContact CD2-CD1 4.1Å; L107-I135 HydrophobicContact CD2-CG1 4.31Å
108	T	94.3	Very high	93.9	Very high	31 Å²	31	48.2 Å²	48.2	19%	0.19	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	171.3	-173.3	71	0	0	0	0	111.3	F82 V92 T110 D111 F112	F82-T108 WeakPolarHBondContact CE1-O 3.46Å; F82-T108 WeakPolarHBondContact CZ-O 3.29Å; V92-T108 HydrophobicContact CG2-CG2 3.93Å; T108-T110 PolarHBondContact O-N 3.31Å; T108-T110 PolarHBondContact OG1-N 3.31Å; T108-D111 WeakPolarHBondContact CA-OD2 3.24Å; T108-D111 WeakPolarHBondContact CB-OD2 3.5Å; T108-D111 PolarHBondContact N-OD2 3.37Å; T108-D111 WeakPolarHBondContact O-CB 3.46Å; T108-D111 PolarHBondContact O-N 2.95Å; T108-D111 VanDerWaalsContact O-N 3.14Å; T108-D111 PolarHBondContact OG1-N 3.23Å; T108-D111 PolarHBondContact OG1-OD2 2.9Å; T108-F112 PolarHBondContact O-N 3.13Å
109	I	94.2	Very high	93.6	Very high	17 Å²	17	47 Å²	47	9%	0.087	23%	0.23	C	C	.	.	H	α-helix	trans	-66	-26.1	175	-45.9	170.9	0	0	0	111.6	R91 D111 F112 I113 K263 F264 V266 I267	R91-I109 HydrophobicContact CB-CD1 4.05Å; R91-I109 HydrophobicContact CG-CD1 4.14Å; I109-D111 VanDerWaalsContact C-N 3.3Å; I109-D111 PolarHBondContact O-N 3.49Å; I109-F112 WeakPolarHBondContact O-CB 3.48Å; I109-F112 PolarHBondContact O-N 3.15Å; I109-I113 VanDerWaalsContact O-CG1 3.29Å; I109-I113 WeakPolarHBondContact O-CG1 3.45Å; I109-I113 PolarHBondContact O-N 3.22Å; I109-K263 WeakPolarHBondContact CG2-O 3.4Å; I109-F264 HydrophobicContact CD1-CD2 3.98Å; I109-V266 HydrophobicContact CG2-CB 4.15Å; I109-I267 HydrophobicContact CD1-CB 4.07Å; I109-I267 HydrophobicContact CD1-CD1 4.21Å; I109-I267 HydrophobicContact CD1-CG2 4.48Å; I109-I267 HydrophobicContact CG1-CB 4.24Å; I109-I267 HydrophobicContact CG1-CD1 4.05Å; I109-I267 HydrophobicContact CG1-CG1 4.27Å; I109-I267 HydrophobicContact CG2-CB 4.26Å
110	T	93.7	Very high	93.4	Very high	49 Å²	49	42.3 Å²	42.3	30%	0.301	20%	0.199	S	C	.	.	H	α-helix	trans	-62.5	-40.5	173.1	-57	0	0	0	0	110.9	T108 F112 I113 H114	T108-T110 PolarHBondContact O-N 3.31Å; T108-T110 PolarHBondContact OG1-N 3.31Å; T110-F112 VanDerWaalsContact C-N 3.29Å; T110-F112 PolarHBondContact O-N 2.99Å; T110-I113 WeakPolarHBondContact O-CB 3.24Å; T110-I113 PolarHBondContact O-N 2.75Å; T110-H114 WeakPolarHBondContact CG2-NE2 3.44Å; T110-H114 PolarHBondContact O-CD2 2.89Å; T110-H114 PolarHBondContact O-N 3.41Å
111	D	93	Very high	93.2	Very high	41 Å²	41	44.1 Å²	44.1	22%	0.219	20%	0.202	C	C	.	.	H	α-helix	trans	-62.7	-40.5	174.7	-52.4	-64.7	0	0	0	110.4	L107 T108 I109 I113 H114 I115	L107-D111 HydrophobicContact CD1-CB 3.92Å; T108-D111 WeakPolarHBondContact CA-OD2 3.24Å; T108-D111 WeakPolarHBondContact CB-OD2 3.5Å; T108-D111 PolarHBondContact N-OD2 3.37Å; T108-D111 WeakPolarHBondContact O-CB 3.46Å; T108-D111 PolarHBondContact O-N 2.95Å; T108-D111 VanDerWaalsContact O-N 3.14Å; T108-D111 PolarHBondContact OG1-N 3.23Å; T108-D111 PolarHBondContact OG1-OD2 2.9Å; I109-D111 VanDerWaalsContact C-N 3.3Å; I109-D111 PolarHBondContact O-N 3.49Å; D111-I113 VanDerWaalsContact C-N 3.31Å; D111-I113 PolarHBondContact O-N 2.86Å; D111-H114 PolarHBondContact O-N 3.21Å; D111-I115 WeakPolarHBondContact O-CB 3.47Å; D111-I115 WeakPolarHBondContact O-CG1 3.5Å; D111-I115 PolarHBondContact O-N 3.48Å
112	F	94.1	Very high	92.9	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	18%	0.184	C	C	.	.	H	α-helix	trans	-58.9	-43.8	174.2	-161.5	-147.3	0	0	0	112.2	F82 T108 I109 T110 H114 I115 L116 L130 V266 L269 A270 Y275	F82-F112 HydrophobicContact CD1-CB 4.1Å; F82-F112 HydrophobicContact CD1-CD1 4.42Å; F82-F112 HydrophobicContact CD1-CD2 4.43Å; F82-F112 HydrophobicContact CD1-CG 4.07Å; F82-F112 HydrophobicContact CD2-CB 4.32Å; F82-F112 AromaticContact CD2-CD2 3.49Å; F82-F112 HydrophobicContact CD2-CD2 3.49Å; F82-F112 VanDerWaalsContact CD2-CD2 3.49Å; F82-F112 HydrophobicContact CD2-CE2 4.01Å; F82-F112 AromaticContact CD2-CG 3.96Å; F82-F112 HydrophobicContact CD2-CG 3.96Å; F82-F112 HydrophobicContact CE1-CB 3.54Å; F82-F112 HydrophobicContact CE1-CD2 4.49Å; F82-F112 HydrophobicContact CE1-CG 4.01Å; F82-F112 HydrophobicContact CE2-CB 3.74Å; F82-F112 AromaticContact CE2-CD2 3.52Å; F82-F112 HydrophobicContact CE2-CD2 3.52Å; F82-F112 HydrophobicContact CE2-CE2 4.44Å; F82-F112 AromaticContact CE2-CG 3.84Å; F82-F112 HydrophobicContact CE2-CG 3.84Å; F82-F112 HydrophobicContact CG-CB 4.49Å; F82-F112 AromaticContact CG-CD2 3.99Å; F82-F112 HydrophobicContact CG-CD2 3.99Å; F82-F112 HydrophobicContact CG-CE2 4.39Å; F82-F112 HydrophobicContact CG-CG 4.09Å; F82-F112 HydrophobicContact CZ-CB 3.35Å; F82-F112 HydrophobicContact CZ-CD2 4.08Å; F82-F112 AromaticContact CZ-CG 3.91Å; F82-F112 HydrophobicContact CZ-CG 3.91Å; T108-F112 PolarHBondContact O-N 3.13Å; I109-F112 WeakPolarHBondContact O-CB 3.48Å; I109-F112 PolarHBondContact O-N 3.15Å; T110-F112 VanDerWaalsContact C-N 3.29Å; T110-F112 PolarHBondContact O-N 2.99Å; F112-H114 PolarHBondContact O-N 3.37Å; F112-I115 PolarHBondContact O-N 3.03Å; F112-L116 HydrophobicContact CD1-CD1 3.98Å; F112-L116 HydrophobicContact CD2-CD1 4.28Å; F112-L116 HydrophobicContact CD2-CD2 4.42Å; F112-L116 HydrophobicContact CD2-CG 4.02Å; F112-L116 HydrophobicContact CE1-CD1 3.74Å; F112-L116 HydrophobicContact CE1-CG 4.42Å; F112-L116 HydrophobicContact CE2-CD1 4.05Å; F112-L116 HydrophobicContact CE2-CD2 3.77Å; F112-L116 HydrophobicContact CE2-CG 3.82Å; F112-L116 HydrophobicContact CG-CD1 4.24Å; F112-L116 HydrophobicContact CG-CG 4.39Å; F112-L116 HydrophobicContact CZ-CD1 3.77Å; F112-L116 HydrophobicContact CZ-CD2 3.94Å; F112-L116 HydrophobicContact CZ-CG 4.04Å; F112-L116 WeakPolarHBondContact O-CB 3.46Å; F112-L116 VanDerWaalsContact O-CG 3.26Å; F112-L116 WeakPolarHBondContact O-CG 3.43Å; F112-L116 PolarHBondContact O-N 3.16Å; F112-L130 HydrophobicContact CE2-CD1 4.12Å; F112-L130 HydrophobicContact CE2-CD2 4.11Å; F112-V266 HydrophobicContact CD1-CG1 4.08Å; F112-V266 HydrophobicContact CE1-CG1 4.44Å; F112-L269 HydrophobicContact CE1-CB 4.48Å; F112-A270 HydrophobicContact CE1-CB 3.84Å; F112-A270 HydrophobicContact CZ-CB 3.84Å; F112-Y275 HydrophobicContact CZ-CD1 4.37Å
113	I	95.1	Very high	92.4	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-45.6	178.7	-68.1	165.1	0	0	0	110.6	I109 T110 D111 I115 L116 H117 L237 F240 I241 K263 V266	I109-I113 VanDerWaalsContact O-CG1 3.29Å; I109-I113 WeakPolarHBondContact O-CG1 3.45Å; I109-I113 PolarHBondContact O-N 3.22Å; T110-I113 WeakPolarHBondContact O-CB 3.24Å; T110-I113 PolarHBondContact O-N 2.75Å; D111-I113 VanDerWaalsContact C-N 3.31Å; D111-I113 PolarHBondContact O-N 2.86Å; I113-I115 VanDerWaalsContact C-N 3.34Å; I113-I115 PolarHBondContact O-N 2.88Å; I113-L116 PolarHBondContact O-N 3.35Å; I113-H117 VanDerWaalsContact O-CB 3.22Å; I113-H117 WeakPolarHBondContact O-CB 3.11Å; I113-H117 PolarHBondContact O-N 2.96Å; I113-L237 HydrophobicContact CG1-CD2 4.12Å; I113-L237 HydrophobicContact CG2-CB 4.24Å; I113-L237 HydrophobicContact CG2-CD2 4.21Å; I113-F240 HydrophobicContact CD1-CD2 3.99Å; I113-F240 HydrophobicContact CG2-CB 4.36Å; I113-I241 HydrophobicContact CG2-CD1 4.04Å; I113-I241 HydrophobicContact CG2-CG1 3.97Å; I113-K263 HydrophobicContact CD1-CB 3.78Å; I113-K263 HydrophobicContact CD1-CD 3.75Å; I113-K263 HydrophobicContact CD1-CG 3.44Å; I113-K263 VanDerWaalsContact CD1-CG 3.44Å; I113-V266 HydrophobicContact CD1-CG2 4.13Å; I113-V266 HydrophobicContact CG1-CB 4.23Å; I113-V266 HydrophobicContact CG1-CG1 3.88Å; I113-V266 HydrophobicContact CG1-CG2 4.08Å
114	H	93.8	Very high	92	Very high	24 Å²	24	42.3 Å²	42.3	11%	0.111	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-42.8	177.1	-70.1	-60	0	0	0	112	T110 D111 F112 H117 R118 L142 Y145	T110-H114 WeakPolarHBondContact CG2-NE2 3.44Å; T110-H114 PolarHBondContact O-CD2 2.89Å; T110-H114 PolarHBondContact O-N 3.41Å; D111-H114 PolarHBondContact O-N 3.21Å; F112-H114 PolarHBondContact O-N 3.37Å; H114-H117 PolarHBondContact O-N 3.36Å; H114-R118 WeakPolarHBondContact O-CB 3.38Å; H114-R118 PolarHBondContact O-N 3.44Å; H114-L142 HydrophobicContact CB-CD1 4.23Å; H114-Y145 HydrophobicContact CB-CD2 4.25Å; H114-Y145 HydrophobicContact CB-CE2 4.49Å; H114-Y145 AromaticContact CE1-CD1 3.45Å; H114-Y145 VanDerWaalsContact CE1-CD1 3.45Å; H114-Y145 WeakPolarHBondContact CE1-CD1 3.45Å; H114-Y145 AromaticContact CE1-CE1 3.43Å; H114-Y145 VanDerWaalsContact CE1-CE1 3.43Å; H114-Y145 WeakPolarHBondContact CE1-CE1 3.21Å; H114-Y145 AromaticContact CE1-CG 3.97Å; H114-Y145 AromaticContact CE1-CZ 3.95Å; H114-Y145 AromaticContact CG-CD2 3.97Å; H114-Y145 AromaticContact ND1-CD1 3.83Å; H114-Y145 AromaticContact ND1-CD2 3.96Å; H114-Y145 AromaticContact ND1-CE1 3.67Å; H114-Y145 AromaticContact ND1-CE2 3.81Å; H114-Y145 AromaticContact ND1-CG 3.99Å; H114-Y145 AromaticContact ND1-CZ 3.7Å; H114-Y145 AromaticContact NE2-CD1 3.7Å
115	I	92.4	Very high	91.6	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-60.9	-52	177.7	-70.2	173.4	0	0	0	110.9	V78 F82 D111 F112 I113 R118 Y119 L130 W138 L142	V78-I115 HydrophobicContact CG1-CD1 3.9Å; V78-I115 HydrophobicContact CG2-CD1 4.4Å; F82-I115 HydrophobicContact CE2-CD1 4.4Å; D111-I115 WeakPolarHBondContact O-CB 3.47Å; D111-I115 WeakPolarHBondContact O-CG1 3.5Å; D111-I115 PolarHBondContact O-N 3.48Å; F112-I115 PolarHBondContact O-N 3.03Å; I113-I115 VanDerWaalsContact C-N 3.34Å; I113-I115 PolarHBondContact O-N 2.88Å; I115-R118 PolarHBondContact O-N 3.18Å; I115-Y119 PolarHBondContact O-N 3.34Å; I115-L130 HydrophobicContact CG2-CD1 3.37Å; I115-W138 HydrophobicContact CB-CE3 4.24Å; I115-W138 HydrophobicContact CB-CH2 4.38Å; I115-W138 HydrophobicContact CB-CZ3 3.95Å; I115-W138 HydrophobicContact CD1-CB 4.28Å; I115-W138 HydrophobicContact CD1-CD2 3.87Å; I115-W138 HydrophobicContact CD1-CE3 4.07Å; I115-W138 HydrophobicContact CD1-CG 3.95Å; I115-W138 HydrophobicContact CG1-CD2 3.86Å; I115-W138 HydrophobicContact CG1-CE3 3.52Å; I115-W138 HydrophobicContact CG1-CG 4.37Å; I115-W138 HydrophobicContact CG1-CH2 4.49Å; I115-W138 HydrophobicContact CG1-CZ3 3.75Å; I115-W138 HydrophobicContact CG2-CD2 4.32Å; I115-W138 HydrophobicContact CG2-CE3 4.09Å; I115-W138 HydrophobicContact CG2-CH2 3.47Å; I115-W138 VanDerWaalsContact CG2-CH2 3.47Å; I115-W138 HydrophobicContact CG2-CZ2 3.81Å; I115-W138 HydrophobicContact CG2-CZ3 3.54Å; I115-L142 HydrophobicContact CG1-CD1 3.85Å
116	L	93.4	Very high	91	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-48.7	178.3	-69.6	179.7	0	0	0	111	F112 I113 R118 Y119 Y120 M127 L130 L237 V266 L269 L278	F112-L116 HydrophobicContact CD1-CD1 3.98Å; F112-L116 HydrophobicContact CD2-CD1 4.28Å; F112-L116 HydrophobicContact CD2-CD2 4.42Å; F112-L116 HydrophobicContact CD2-CG 4.02Å; F112-L116 HydrophobicContact CE1-CD1 3.74Å; F112-L116 HydrophobicContact CE1-CG 4.42Å; F112-L116 HydrophobicContact CE2-CD1 4.05Å; F112-L116 HydrophobicContact CE2-CD2 3.77Å; F112-L116 HydrophobicContact CE2-CG 3.82Å; F112-L116 HydrophobicContact CG-CD1 4.24Å; F112-L116 HydrophobicContact CG-CG 4.39Å; F112-L116 HydrophobicContact CZ-CD1 3.77Å; F112-L116 HydrophobicContact CZ-CD2 3.94Å; F112-L116 HydrophobicContact CZ-CG 4.04Å; F112-L116 WeakPolarHBondContact O-CB 3.46Å; F112-L116 VanDerWaalsContact O-CG 3.26Å; F112-L116 WeakPolarHBondContact O-CG 3.43Å; F112-L116 PolarHBondContact O-N 3.16Å; I113-L116 PolarHBondContact O-N 3.35Å; L116-R118 VanDerWaalsContact C-N 3.31Å; L116-R118 PolarHBondContact O-N 3.04Å; L116-Y119 PolarHBondContact O-N 3.41Å; L116-Y120 WeakPolarHBondContact O-CB 3.16Å; L116-Y120 PolarHBondContact O-N 3.16Å; L116-M127 HydrophobicContact CD2-CE 3.7Å; L116-M127 HydrophobicContact CD2-SD 4.17Å; L116-L130 HydrophobicContact CD2-CD2 4.23Å; L116-L237 HydrophobicContact CB-CD1 3.69Å; L116-L237 HydrophobicContact CD1-CD1 3.97Å; L116-V266 HydrophobicContact CD1-CG1 3.92Å; L116-L269 HydrophobicContact CD1-CD1 4.24Å; L116-L278 HydrophobicContact CB-CD1 4.08Å
117	H	92.3	Very high	90.5	Very high	73 Å²	73	48.2 Å²	48.2	34%	0.338	24%	0.238	S	C	.	.	H	α-helix	trans	-62.4	-37.4	-179.1	-175.9	69.8	0	0	0	112.9	I113 H114 I241	I113-H117 VanDerWaalsContact O-CB 3.22Å; I113-H117 WeakPolarHBondContact O-CB 3.11Å; I113-H117 PolarHBondContact O-N 2.96Å; H114-H117 PolarHBondContact O-N 3.36Å; H117-I241 HydrophobicContact CB-CD1 3.46Å; H117-I241 VanDerWaalsContact CB-CD1 3.46Å; H117-I241 WeakPolarHBondContact CD2-CD1 3.22Å
118	R	90.5	Very high	90	Very high	135 Å²	135	50.8 Å²	50.8	51%	0.509	25%	0.254	S	S	.	.	H	α-helix	trans	-69.8	-38.5	-178.5	178.8	69.3	169.6	115.8	0.9	112.9	H114 I115 L116 R121 L142	H114-R118 WeakPolarHBondContact O-CB 3.38Å; H114-R118 PolarHBondContact O-N 3.44Å; I115-R118 PolarHBondContact O-N 3.18Å; L116-R118 VanDerWaalsContact C-N 3.31Å; L116-R118 PolarHBondContact O-N 3.04Å; R118-R121 PolarHBondContact O-NH1 2.85Å; R118-R121 PolarHBondContact O-NH2 3.34Å; R118-L142 HydrophobicContact CG-CD2 4.27Å
119	Y	89.3	Confident	89.5	Confident	35 Å²	35	52.3 Å²	52.3	14%	0.137	26%	0.259	C	S	.	.	H	α-helix	trans	-106.8	-15.5	-169.5	-76.5	-92.7	0	0	0	114.6	I115 L116 R121 E129 W138 Q141	I115-Y119 PolarHBondContact O-N 3.34Å; L116-Y119 PolarHBondContact O-N 3.41Å; Y119-R121 PolarHBondContact O-N 3.4Å; Y119-E129 HydrophobicContact CD1-CB 3.71Å; Y119-E129 HydrophobicContact CD1-CG 3.73Å; Y119-E129 HydrophobicContact CE1-CB 3.73Å; Y119-E129 HydrophobicContact CE1-CG 3.6Å; Y119-E129 HydrophobicContact CG-CB 4.46Å; Y119-W138 HydrophobicContact CD1-CH2 4.26Å; Y119-W138 HydrophobicContact CD2-CE3 4.49Å; Y119-W138 AromaticContact CD2-CH2 3.12Å; Y119-W138 HydrophobicContact CD2-CH2 3.12Å; Y119-W138 HydrophobicContact CD2-CZ2 4.45Å; Y119-W138 AromaticContact CD2-CZ3 3.17Å; Y119-W138 HydrophobicContact CD2-CZ3 3.17Å; Y119-W138 HydrophobicContact CE1-CH2 4.23Å; Y119-W138 AromaticContact CE2-CE3 3.95Å; Y119-W138 HydrophobicContact CE2-CE3 3.95Å; Y119-W138 AromaticContact CE2-CH2 3.11Å; Y119-W138 HydrophobicContact CE2-CH2 3.11Å; Y119-W138 HydrophobicContact CE2-CZ2 4.35Å; Y119-W138 AromaticContact CE2-CZ3 2.89Å; Y119-W138 HydrophobicContact CE2-CZ3 2.89Å; Y119-W138 AromaticContact CG-CH2 3.71Å; Y119-W138 HydrophobicContact CG-CH2 3.71Å; Y119-W138 HydrophobicContact CG-CZ3 4.21Å; Y119-W138 AromaticContact CZ-CH2 3.64Å; Y119-W138 AromaticContact CZ-CZ3 3.73Å; Y119-Q141 PolarHBondContact OH-OE1 3.35Å
120	Y	91.6	Very high	89	Confident	21 Å²	21	51.6 Å²	51.6	8%	0.082	26%	0.255	C	S	.	.			trans	-62.7	132.4	171	-167.7	-107.7	0	0	0	110.4	L116 P123 M127 H234 L278 D279	L116-Y120 WeakPolarHBondContact O-CB 3.16Å; L116-Y120 PolarHBondContact O-N 3.16Å; Y120-P123 WeakPolarHBondContact OH-CG 3.42Å; Y120-M127 HydrophobicContact CD2-CE 4.33Å; Y120-M127 HydrophobicContact CD2-SD 4.28Å; Y120-H234 HydrophobicContact CD1-CB 3.89Å; Y120-H234 HydrophobicContact CE1-CB 3.98Å; Y120-L278 HydrophobicContact CD1-CB 4.13Å; Y120-L278 HydrophobicContact CD1-CD1 4.24Å; Y120-L278 HydrophobicContact CD2-CB 3.93Å; Y120-L278 HydrophobicContact CD2-CD1 3.59Å; Y120-L278 HydrophobicContact CD2-CG 3.59Å; Y120-L278 HydrophobicContact CE1-CB 3.86Å; Y120-L278 HydrophobicContact CE2-CB 3.66Å; Y120-L278 HydrophobicContact CE2-CD1 4.18Å; Y120-L278 HydrophobicContact CE2-CG 3.67Å; Y120-L278 HydrophobicContact CG-CB 4.15Å; Y120-L278 HydrophobicContact CG-CD1 3.61Å; Y120-L278 HydrophobicContact CG-CG 4.04Å; Y120-L278 PolarHBondContact OH-N 2.92Å; Y120-D279 PolarHBondContact OH-N 3.27Å; Y120-D279 PolarHBondContact OH-OD2 2.98Å
121	R	89.1	Confident	88.4	Confident	145 Å²	145	52.2 Å²	52.2	55%	0.547	26%	0.255	S	S	.	.			trans	-125.2	-60.8	177.8	-64.1	-66.6	175.1	-108	-6.2	110.1	R118 Y119 Q125	R118-R121 PolarHBondContact O-NH1 2.85Å; R118-R121 PolarHBondContact O-NH2 3.34Å; Y119-R121 PolarHBondContact O-N 3.4Å; R121-Q125 HydrophobicContact CB-CB 4.46Å
122	S	87.8	Confident	88.1	Confident	31 Å²	31	57.6 Å²	57.6	22%	0.217	28%	0.276	C	S	.	.			trans	-157.9	166	175.6	65.8	0	0	0	0	110.1	D124 Q125	S122-D124 PolarHBondContact O-N 3.17Å; S122-Q125 PolarHBondContact O-N 3.39Å
123	P	83.4	Confident	88	Confident	55 Å²	55	59.6 Å²	59.6	36%	0.357	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-30	177	-23.9	35.1	0	0	0	113.5	Y120 Q125 N277 D279	Y120-P123 WeakPolarHBondContact OH-CG 3.42Å; P123-Q125 VanDerWaalsContact C-N 3.26Å; P123-Q125 PolarHBondContact O-N 2.96Å; P123-N277 HydrophobicContact CB-CB 4.42Å; P123-D279 WeakPolarHBondContact CD-OD2 3.43Å; P123-D279 HydrophobicContact CG-CB 4.11Å; P123-D279 WeakPolarHBondContact CG-OD2 3.26Å
124	D	85.6	Confident	87.9	Confident	145 Å²	145	63 Å²	63	78%	0.775	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-10	-178.7	-54.1	-54.2	0	0	0	113.5	S122 P126	S122-D124 PolarHBondContact O-N 3.17Å; D124-P126 WeakPolarHBondContact O-CD 3.43Å
125	Q	85.9	Confident	87.9	Confident	116 Å²	116	62 Å²	62	54%	0.542	30%	0.297	S	S	.	.	S	Bend	trans	-113.6	95.6	-179.2	-67.8	-172.6	15.2	0	0	109.9	R121 S122 P123 M127	R121-Q125 HydrophobicContact CB-CB 4.46Å; S122-Q125 PolarHBondContact O-N 3.39Å; P123-Q125 VanDerWaalsContact C-N 3.26Å; P123-Q125 PolarHBondContact O-N 2.96Å; Q125-M127 PolarHBondContact O-N 3.48Å
126	P	81.2	Confident	88	Confident	73 Å²	73	65.3 Å²	65.3	47%	0.474	31%	0.311	S	S	.	.			trans	-63.8	136.5	-179.3	26.1	-33.3	0	0	0	110.3	D124 T128	D124-P126 WeakPolarHBondContact O-CD 3.43Å; P126-T128 HydrophobicContact CG-CG2 4.35Å; P126-T128 PolarHBondContact O-N 3.37Å
127	M	85.4	Confident	87.9	Confident	6 Å²	6	67 Å²	67	3%	0.03	32%	0.322	C	S	.	.			trans	-72.8	73.5	176.2	-66.4	179.8	-71.7	0	0	111.2	L116 Y120 Q125 E129 L130 Y275	L116-M127 HydrophobicContact CD2-CE 3.7Å; L116-M127 HydrophobicContact CD2-SD 4.17Å; Y120-M127 HydrophobicContact CD2-CE 4.33Å; Y120-M127 HydrophobicContact CD2-SD 4.28Å; Q125-M127 PolarHBondContact O-N 3.48Å; M127-E129 PolarHBondContact O-N 2.86Å; M127-L130 HydrophobicContact CB-CB 4.22Å; M127-L130 WeakPolarHBondContact O-CB 3.2Å; M127-L130 PolarHBondContact O-N 3.27Å; M127-Y275 HydrophobicContact CE-CD2 3.75Å; M127-Y275 HydrophobicContact CE-CG 4.49Å; M127-Y275 WeakPolarHBondContact CE-O 3.44Å
128	T	83.8	Confident	87.6	Confident	62 Å²	62	63.9 Å²	63.9	38%	0.38	31%	0.307	S	S	.	.	H	α-helix	trans	-61.8	-26.9	-179.2	65	0	0	0	0	112.6	P126 E131 K132	P126-T128 HydrophobicContact CG-CG2 4.35Å; P126-T128 PolarHBondContact O-N 3.37Å; T128-E131 PolarHBondContact O-N 3.49Å; T128-K132 WeakPolarHBondContact O-CG 3.15Å; T128-K132 PolarHBondContact O-N 3.29Å
129	E	83.9	Confident	87.6	Confident	64 Å²	64	59.1 Å²	59.1	30%	0.299	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-43	177.3	-62.7	94.2	149.9	0	0	111	Y119 M127 E131 K132 H133 W138	Y119-E129 HydrophobicContact CD1-CB 3.71Å; Y119-E129 HydrophobicContact CD1-CG 3.73Å; Y119-E129 HydrophobicContact CE1-CB 3.73Å; Y119-E129 HydrophobicContact CE1-CG 3.6Å; Y119-E129 HydrophobicContact CG-CB 4.46Å; M127-E129 PolarHBondContact O-N 2.86Å; E129-E131 PolarHBondContact O-N 2.95Å; E129-K132 PolarHBondContact O-N 3.44Å; E129-H133 WeakPolarHBondContact O-CB 3.34Å; E129-H133 PolarHBondContact O-N 2.95Å; E129-W138 HydrophobicContact CB-CH2 4.46Å; E129-W138 HydrophobicContact CB-CZ2 4.3Å
130	L	83.2	Confident	87.6	Confident	2 Å²	2	63 Å²	63	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-32.8	176.2	-177	71.9	0	0	0	112	V78 K79 F112 I115 L116 M127 Y275	V78-L130 HydrophobicContact CB-CD1 4.41Å; V78-L130 HydrophobicContact CG1-CD1 3.55Å; K79-L130 PolarHBondContact N-O 3.46Å; F112-L130 HydrophobicContact CE2-CD1 4.12Å; F112-L130 HydrophobicContact CE2-CD2 4.11Å; I115-L130 HydrophobicContact CG2-CD1 3.37Å; L116-L130 HydrophobicContact CD2-CD2 4.23Å; M127-L130 HydrophobicContact CB-CB 4.22Å; M127-L130 WeakPolarHBondContact O-CB 3.2Å; M127-L130 PolarHBondContact O-N 3.27Å; L130-Y275 HydrophobicContact CD2-CD1 4.32Å; L130-Y275 HydrophobicContact CD2-CD2 3.6Å; L130-Y275 HydrophobicContact CD2-CE1 4.26Å; L130-Y275 HydrophobicContact CD2-CE2 3.54Å; L130-Y275 HydrophobicContact CD2-CG 4.02Å
131	E	80.7	Confident	87.3	Confident	62 Å²	62	66 Å²	66	29%	0.29	32%	0.323	S	S	.	.	H	α-helix	trans	-80.9	-36.9	-177	-47.2	-152.6	135.6	0	0	112.7	N77 K79 T128 E129 Y275	N77-E131 PolarHBondContact ND2-O 2.67Å; K79-E131 HydrophobicContact CD-CB 4.14Å; K79-E131 HydrophobicContact CD-CG 4.05Å; K79-E131 VanDerWaalsContact NZ-CD 3.33Å; K79-E131 IonicContact NZ-OE1 3.96Å; K79-E131 PolarHBondContact NZ-OE1 3.47Å; K79-E131 IonicContact NZ-OE2 3.54Å; T128-E131 PolarHBondContact O-N 3.49Å; E129-E131 PolarHBondContact O-N 2.95Å; E131-Y275 PolarHBondContact OE1-OH 3.18Å
132	K	87.4	Confident	87.1	Confident	153 Å²	153	59.8 Å²	59.8	67%	0.665	30%	0.3	S	S	*	.	H	α-helix	trans	-91.6	-36.5	-174.2	-67.9	178.6	-179	175.6	0	113.3	T128 E129	T128-K132 WeakPolarHBondContact O-CG 3.15Å; T128-K132 PolarHBondContact O-N 3.29Å; E129-K132 PolarHBondContact O-N 3.44Å
133	H	91.4	Very high	86.9	Confident	45 Å²	45	62.7 Å²	62.7	21%	0.208	32%	0.317	C	S	.	.			trans	-75	140	-172	-68.4	176.4	0	0	0	112.5	V78 E129 T137 W138	V78-H133 PolarHBondContact N-O 3.14Å; V78-H133 VanDerWaalsContact N-O 3.13Å; E129-H133 WeakPolarHBondContact O-CB 3.34Å; E129-H133 PolarHBondContact O-N 2.95Å; H133-T137 HydrophobicContact CB-CG2 4.25Å; H133-W138 HydrophobicContact CB-CZ2 4.11Å; H133-W138 AromaticContact ND1-CE2 3.95Å; H133-W138 AromaticContact ND1-CZ2 3.77Å
134	Q	94.3	Very high	86.9	Confident	72 Å²	72	66.9 Å²	66.9	34%	0.336	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-81	157.1	173.5	-59.7	-178.5	-37.8	0	0	110.4	T75 L76 K136 T137 W138	T75-Q134 VanDerWaalsContact O-CG 3.22Å; T75-Q134 WeakPolarHBondContact O-CG 3.35Å; T75-Q134 PolarHBondContact O-NE2 3.33Å; L76-Q134 WeakPolarHBondContact O-CA 2.88Å; Q134-K136 PolarHBondContact O-N 3.01Å; Q134-K136 VanDerWaalsContact O-N 3.15Å; Q134-T137 WeakPolarHBondContact O-CB 3.28Å; Q134-T137 PolarHBondContact O-N 3.46Å; Q134-W138 PolarHBondContact O-N 2.82Å
135	I	94.2	Very high	86.7	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-51.1	-39.8	175.1	-67.3	160.8	0	0	0	111.1	F72 V74 L76 V78 A81 L95 L107 T137 W138 R139	F72-I135 HydrophobicContact CB-CD1 4.03Å; F72-I135 HydrophobicContact CD2-CD1 4.35Å; V74-I135 HydrophobicContact CG1-CG2 4.46Å; V74-I135 WeakPolarHBondContact O-CB 3.39Å; V74-I135 PolarHBondContact O-N 2.86Å; L76-I135 HydrophobicContact CB-CD1 4.11Å; L76-I135 WeakPolarHBondContact O-CG1 3.4Å; L76-I135 PolarHBondContact O-N 3.13Å; V78-I135 HydrophobicContact CG2-CB 4.44Å; V78-I135 HydrophobicContact CG2-CG1 3.81Å; A81-I135 HydrophobicContact CB-CD1 3.93Å; A81-I135 HydrophobicContact CB-CG1 4.4Å; L95-I135 HydrophobicContact CD1-CG2 3.75Å; L95-I135 HydrophobicContact CD2-CD1 3.96Å; L95-I135 HydrophobicContact CD2-CG2 3.91Å; L95-I135 HydrophobicContact CG-CG2 4.47Å; L107-I135 HydrophobicContact CD2-CD1 4.1Å; L107-I135 HydrophobicContact CD2-CG1 4.31Å; I135-T137 PolarHBondContact O-N 2.89Å; I135-W138 PolarHBondContact O-N 3.49Å; I135-R139 HydrophobicContact CG2-CG 4.37Å; I135-R139 WeakPolarHBondContact O-CG 3.41Å; I135-R139 PolarHBondContact O-N 3.3Å
136	K	93.4	Very high	86.2	Confident	74 Å²	74	62.4 Å²	62.4	32%	0.322	30%	0.304	S	S	.	.	H	α-helix	trans	-54.4	-51.6	176.4	-174.1	169.5	179.9	169.3	0	112.4	V74 Q134 W138 R139 E140	V74-K136 HydrophobicContact CB-CB 4.05Å; V74-K136 HydrophobicContact CG2-CB 4.2Å; V74-K136 HydrophobicContact CG2-CD 4.4Å; V74-K136 PolarHBondContact O-N 3.47Å; Q134-K136 PolarHBondContact O-N 3.01Å; Q134-K136 VanDerWaalsContact O-N 3.15Å; K136-W138 VanDerWaalsContact C-N 3.26Å; K136-W138 PolarHBondContact O-N 3.24Å; K136-R139 WeakPolarHBondContact O-CB 3.25Å; K136-R139 PolarHBondContact O-N 2.7Å; K136-R139 VanDerWaalsContact O-N 3.1Å; K136-E140 WeakPolarHBondContact CE-OE1 3.44Å; K136-E140 WeakPolarHBondContact CG-OE1 3.42Å; K136-E140 WeakPolarHBondContact O-CG 3.45Å; K136-E140 PolarHBondContact O-N 2.73Å
137	T	91.5	Very high	86.1	Confident	36 Å²	36	65.5 Å²	65.5	22%	0.221	31%	0.306	C	S	.	.	H	α-helix	trans	-56.1	-42.4	178.9	-47.4	0	0	0	0	111.6	H133 Q134 I135 E140 Q141	H133-T137 HydrophobicContact CB-CG2 4.25Å; Q134-T137 WeakPolarHBondContact O-CB 3.28Å; Q134-T137 PolarHBondContact O-N 3.46Å; I135-T137 PolarHBondContact O-N 2.89Å; T137-E140 PolarHBondContact O-N 3.1Å; T137-Q141 WeakPolarHBondContact O-CB 3.3Å; T137-Q141 VanDerWaalsContact O-CG 3.27Å; T137-Q141 WeakPolarHBondContact O-CG 3.21Å; T137-Q141 PolarHBondContact O-N 3.5Å
138	W	87.1	Confident	86.1	Confident	8 Å²	8	69.9 Å²	69.9	3%	0.03	34%	0.337	C	S	.	.	H	α-helix	trans	-66.5	-39.9	178.9	-71.4	102.1	0	0	0	112.9	V78 I115 Y119 E129 H133 Q134 I135 K136 E140 Q141 L142	V78-W138 HydrophobicContact CG2-CG 3.97Å; I115-W138 HydrophobicContact CB-CE3 4.24Å; I115-W138 HydrophobicContact CB-CH2 4.38Å; I115-W138 HydrophobicContact CB-CZ3 3.95Å; I115-W138 HydrophobicContact CD1-CB 4.28Å; I115-W138 HydrophobicContact CD1-CD2 3.87Å; I115-W138 HydrophobicContact CD1-CE3 4.07Å; I115-W138 HydrophobicContact CD1-CG 3.95Å; I115-W138 HydrophobicContact CG1-CD2 3.86Å; I115-W138 HydrophobicContact CG1-CE3 3.52Å; I115-W138 HydrophobicContact CG1-CG 4.37Å; I115-W138 HydrophobicContact CG1-CH2 4.49Å; I115-W138 HydrophobicContact CG1-CZ3 3.75Å; I115-W138 HydrophobicContact CG2-CD2 4.32Å; I115-W138 HydrophobicContact CG2-CE3 4.09Å; I115-W138 HydrophobicContact CG2-CH2 3.47Å; I115-W138 VanDerWaalsContact CG2-CH2 3.47Å; I115-W138 HydrophobicContact CG2-CZ2 3.81Å; I115-W138 HydrophobicContact CG2-CZ3 3.54Å; Y119-W138 HydrophobicContact CD1-CH2 4.26Å; Y119-W138 HydrophobicContact CD2-CE3 4.49Å; Y119-W138 AromaticContact CD2-CH2 3.12Å; Y119-W138 HydrophobicContact CD2-CH2 3.12Å; Y119-W138 HydrophobicContact CD2-CZ2 4.45Å; Y119-W138 AromaticContact CD2-CZ3 3.17Å; Y119-W138 HydrophobicContact CD2-CZ3 3.17Å; Y119-W138 HydrophobicContact CE1-CH2 4.23Å; Y119-W138 AromaticContact CE2-CE3 3.95Å; Y119-W138 HydrophobicContact CE2-CE3 3.95Å; Y119-W138 AromaticContact CE2-CH2 3.11Å; Y119-W138 HydrophobicContact CE2-CH2 3.11Å; Y119-W138 HydrophobicContact CE2-CZ2 4.35Å; Y119-W138 AromaticContact CE2-CZ3 2.89Å; Y119-W138 HydrophobicContact CE2-CZ3 2.89Å; Y119-W138 AromaticContact CG-CH2 3.71Å; Y119-W138 HydrophobicContact CG-CH2 3.71Å; Y119-W138 HydrophobicContact CG-CZ3 4.21Å; Y119-W138 AromaticContact CZ-CH2 3.64Å; Y119-W138 AromaticContact CZ-CZ3 3.73Å; E129-W138 HydrophobicContact CB-CH2 4.46Å; E129-W138 HydrophobicContact CB-CZ2 4.3Å; H133-W138 HydrophobicContact CB-CZ2 4.11Å; H133-W138 AromaticContact ND1-CE2 3.95Å; H133-W138 AromaticContact ND1-CZ2 3.77Å; Q134-W138 PolarHBondContact O-N 2.82Å; I135-W138 PolarHBondContact O-N 3.49Å; K136-W138 VanDerWaalsContact C-N 3.26Å; K136-W138 PolarHBondContact O-N 3.24Å; W138-E140 VanDerWaalsContact C-N 3.32Å; W138-E140 PolarHBondContact O-N 2.77Å; W138-Q141 PolarHBondContact O-N 2.81Å; W138-L142 HydrophobicContact CE3-CD1 3.96Å; W138-L142 HydrophobicContact CE3-CG 4.44Å; W138-L142 HydrophobicContact CZ3-CD1 4.49Å; W138-L142 VanDerWaalsContact O-CB 3.25Å; W138-L142 WeakPolarHBondContact O-CB 3.32Å; W138-L142 PolarHBondContact O-N 3.4Å
139	R	89.5	Confident	86.5	Confident	35 Å²	35	68.3 Å²	68.3	13%	0.132	33%	0.326	C	S	.	.	H	α-helix	trans	-63	-41.6	176.7	-68.8	176.6	64.7	78.2	-2.8	111.3	I104 I135 K136 Q141 T143 Q146	I104-R139 PolarHBondContact O-NH2 2.79Å; I135-R139 HydrophobicContact CG2-CG 4.37Å; I135-R139 WeakPolarHBondContact O-CG 3.41Å; I135-R139 PolarHBondContact O-N 3.3Å; K136-R139 WeakPolarHBondContact O-CB 3.25Å; K136-R139 PolarHBondContact O-N 2.7Å; K136-R139 VanDerWaalsContact O-N 3.1Å; R139-Q141 VanDerWaalsContact C-N 3.34Å; R139-Q141 PolarHBondContact O-N 2.62Å; R139-T143 PolarHBondContact O-N 2.86Å; R139-Q146 PolarHBondContact O-OE1 3.35Å; R139-Q146 VanDerWaalsContact O-OE1 3.1Å
140	E	88.9	Confident	87.1	Confident	116 Å²	116	66.6 Å²	66.6	54%	0.542	32%	0.319	S	S	.	.	H	α-helix	trans	-69.2	-29	177.4	-68.1	168.2	178.1	0	0	113.2	K136 T137 W138 T143	K136-E140 WeakPolarHBondContact CE-OE1 3.44Å; K136-E140 WeakPolarHBondContact CG-OE1 3.42Å; K136-E140 WeakPolarHBondContact O-CG 3.45Å; K136-E140 PolarHBondContact O-N 2.73Å; T137-E140 PolarHBondContact O-N 3.1Å; W138-E140 VanDerWaalsContact C-N 3.32Å; W138-E140 PolarHBondContact O-N 2.77Å; E140-T143 VanDerWaalsContact O-CG2 3.3Å; E140-T143 WeakPolarHBondContact O-CG2 2.84Å
141	Q	86.4	Confident	87.7	Confident	85 Å²	85	71.9 Å²	71.9	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-88.4	-27	178.8	-72.2	175	-8.7	0	0	113.9	Y119 T137 W138 R139	Y119-Q141 PolarHBondContact OH-OE1 3.35Å; T137-Q141 WeakPolarHBondContact O-CB 3.3Å; T137-Q141 VanDerWaalsContact O-CG 3.27Å; T137-Q141 WeakPolarHBondContact O-CG 3.21Å; T137-Q141 PolarHBondContact O-N 3.5Å; W138-Q141 PolarHBondContact O-N 2.81Å; R139-Q141 VanDerWaalsContact C-N 3.34Å; R139-Q141 PolarHBondContact O-N 2.62Å
142	L	84.3	Confident	88.6	Confident	13 Å²	13	69.2 Å²	69.2	7%	0.068	33%	0.327	C	S	.	.			trans	-110.6	41.3	-177.3	-64.3	-179.7	0	0	0	110.7	H114 I115 R118 W138 E144 Y145 Q146	H114-L142 HydrophobicContact CB-CD1 4.23Å; I115-L142 HydrophobicContact CG1-CD1 3.85Å; R118-L142 HydrophobicContact CG-CD2 4.27Å; W138-L142 HydrophobicContact CE3-CD1 3.96Å; W138-L142 HydrophobicContact CE3-CG 4.44Å; W138-L142 HydrophobicContact CZ3-CD1 4.49Å; W138-L142 VanDerWaalsContact O-CB 3.25Å; W138-L142 WeakPolarHBondContact O-CB 3.32Å; W138-L142 PolarHBondContact O-N 3.4Å; L142-E144 PolarHBondContact O-N 2.91Å; L142-Y145 HydrophobicContact CB-CD2 4.09Å; L142-Y145 HydrophobicContact CD2-CD2 4.16Å; L142-Y145 HydrophobicContact CD2-CE2 4.26Å; L142-Y145 PolarHBondContact O-N 2.88Å; L142-Q146 PolarHBondContact O-N 2.79Å; L142-Q146 VanDerWaalsContact O-N 3.17Å
143	T	83.6	Confident	89.1	Confident	93 Å²	93	63.5 Å²	63.5	57%	0.571	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-58	-30.5	-177.3	49	0	0	0	0	112.8	R139 E140 Y145 Q146	R139-T143 PolarHBondContact O-N 2.86Å; E140-T143 VanDerWaalsContact O-CG2 3.3Å; E140-T143 WeakPolarHBondContact O-CG2 2.84Å; T143-Y145 PolarHBondContact O-N 3.28Å; T143-Q146 WeakPolarHBondContact O-CB 3.46Å; T143-Q146 PolarHBondContact O-N 3.44Å; T143-Q146 VanDerWaalsContact O-N 3.14Å
144	E	83.7	Confident	89.4	Confident	142 Å²	142	61.7 Å²	61.7	66%	0.664	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-61.6	-25.7	174.5	66.5	-179	171.3	0	0	113.6	L142	L142-E144 PolarHBondContact O-N 2.91Å
145	Y	80.3	Confident	89.5	Confident	78 Å²	78	63.8 Å²	63.8	31%	0.306	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-103.1	-7.9	176.6	-54.1	-64.3	0	0	0	112.8	H114 L142 T143 R147	H114-Y145 HydrophobicContact CB-CD2 4.25Å; H114-Y145 HydrophobicContact CB-CE2 4.49Å; H114-Y145 AromaticContact CE1-CD1 3.45Å; H114-Y145 VanDerWaalsContact CE1-CD1 3.45Å; H114-Y145 WeakPolarHBondContact CE1-CD1 3.45Å; H114-Y145 AromaticContact CE1-CE1 3.43Å; H114-Y145 VanDerWaalsContact CE1-CE1 3.43Å; H114-Y145 WeakPolarHBondContact CE1-CE1 3.21Å; H114-Y145 AromaticContact CE1-CG 3.97Å; H114-Y145 AromaticContact CE1-CZ 3.95Å; H114-Y145 AromaticContact CG-CD2 3.97Å; H114-Y145 AromaticContact ND1-CD1 3.83Å; H114-Y145 AromaticContact ND1-CD2 3.96Å; H114-Y145 AromaticContact ND1-CE1 3.67Å; H114-Y145 AromaticContact ND1-CE2 3.81Å; H114-Y145 AromaticContact ND1-CG 3.99Å; H114-Y145 AromaticContact ND1-CZ 3.7Å; H114-Y145 AromaticContact NE2-CD1 3.7Å; L142-Y145 HydrophobicContact CB-CD2 4.09Å; L142-Y145 HydrophobicContact CD2-CD2 4.16Å; L142-Y145 HydrophobicContact CD2-CE2 4.26Å; L142-Y145 PolarHBondContact O-N 2.88Å; T143-Y145 PolarHBondContact O-N 3.28Å; Y145-R147 PolarHBondContact O-N 2.95Å
146	Q	76.7	Confident	89.7	Confident	90 Å²	90	65.1 Å²	65.1	42%	0.421	32%	0.316	S	S	.	.			trans	-67	128.9	-178.3	-175.4	172.5	-27.2	0	0	110.4	R139 L142 T143	R139-Q146 PolarHBondContact O-OE1 3.35Å; R139-Q146 VanDerWaalsContact O-OE1 3.1Å; L142-Q146 PolarHBondContact O-N 2.79Å; L142-Q146 VanDerWaalsContact O-N 3.17Å; T143-Q146 WeakPolarHBondContact O-CB 3.46Å; T143-Q146 PolarHBondContact O-N 3.44Å; T143-Q146 VanDerWaalsContact O-N 3.14Å
147	R	77.7	Confident	89.9	Confident	138 Å²	138	63 Å²	63	52%	0.521	31%	0.31	S	S	.	.			trans	-115.4	145.3	173.8	-61	-178	-174.9	-173.6	0.8	109.7	Y145 H168	Y145-R147 PolarHBondContact O-N 2.95Å; R147-H168 PolarHBondContact NH1-O 2.93Å
148	S	86.7	Confident	90.3	Very high	97 Å²	97	61.3 Å²	61.3	68%	0.678	30%	0.299	S	S	*	.			trans	-60.3	154.5	164.3	54.7	0	0	0	0	109.8	I150	S148-I150 PolarHBondContact O-N 2.95Å
149	L	92.6	Very high	90.8	Very high	29 Å²	29	61.1 Å²	61.1	15%	0.152	30%	0.299	C	S	.	.			trans	-61.8	113.2	172.9	-179	61.9	0	0	0	109.3	H103 T106 Y151 P174 I176	H103-L149 HydrophobicContact CB-CD2 3.52Å; T106-L149 HydrophobicContact CG2-CD1 3.99Å; L149-Y151 HydrophobicContact CD2-CD1 4.17Å; L149-Y151 HydrophobicContact CG-CD1 3.99Å; L149-P174 HydrophobicContact CD1-CG 4.23Å; L149-I176 HydrophobicContact CD2-CD1 3.87Å
150	I	95	Very high	91.2	Very high	29 Å²	29	62.2 Å²	62.2	15%	0.149	31%	0.307	C	S	.	.			trans	-96.4	120.6	168.8	-60.3	150.7	0	0	0	105.9	S148 M164 H168 L173 P174	S148-I150 PolarHBondContact O-N 2.95Å; I150-M164 HydrophobicContact CG2-CE 3.6Å; I150-H168 HydrophobicContact CD1-CB 3.6Å; I150-H168 VanDerWaalsContact CD1-CG 3.5Å; I150-H168 WeakPolarHBondContact CD1-ND1 3.35Å; I150-L173 HydrophobicContact CG2-CD1 3.73Å; I150-P174 WeakPolarHBondContact O-CD 3.47Å
151	Y	97.2	Very high	91.6	Very high	113 Å²	113	56.7 Å²	56.7	44%	0.443	28%	0.282	S	S	.	.			trans	-141.9	167.9	-178.3	68.9	-84.9	0	0	0	109.7	L149 M164 P174 I176	L149-Y151 HydrophobicContact CD2-CD1 4.17Å; L149-Y151 HydrophobicContact CG-CD1 3.99Å; Y151-M164 WeakPolarHBondContact O-CE 3.49Å; Y151-P174 CarbonylContact C-O 3.58Å; Y151-P174 VanDerWaalsContact CA-O 3.31Å; Y151-P174 WeakPolarHBondContact CA-O 3.44Å; Y151-P174 WeakPolarHBondContact CB-O 3.5Å; Y151-I176 HydrophobicContact CD1-CD1 4.4Å; Y151-I176 HydrophobicContact CD2-CB 3.86Å; Y151-I176 HydrophobicContact CD2-CD1 4.03Å; Y151-I176 HydrophobicContact CD2-CG1 4.18Å; Y151-I176 HydrophobicContact CE2-CB 4.45Å; Y151-I176 HydrophobicContact CG-CB 4.47Å; Y151-I176 HydrophobicContact CG-CD1 3.78Å; Y151-I176 HydrophobicContact CG-CG1 4.3Å
152	I	98.2	Very high	92.2	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-132.1	158.8	177.4	-163.9	160.5	0	0	0	110	C59 S156 D160 A161 M164 L173 P174 V175 I176	C59-I152 VanDerWaalsContact SG-CD1 3.58Å; I152-S156 WeakPolarHBondContact CG1-OG 3.42Å; I152-D160 HydrophobicContact CD1-CB 4.43Å; I152-A161 VanDerWaalsContact CD1-CA 3.48Å; I152-A161 HydrophobicContact CD1-CB 3.7Å; I152-M164 HydrophobicContact CB-SD 4.27Å; I152-M164 HydrophobicContact CD1-SD 3.92Å; I152-M164 HydrophobicContact CG1-SD 4.16Å; I152-L173 HydrophobicContact CB-CD2 3.75Å; I152-L173 HydrophobicContact CB-CG 4.02Å; I152-L173 HydrophobicContact CD1-CD2 4.04Å; I152-L173 HydrophobicContact CG2-CD2 3.71Å; I152-L173 HydrophobicContact CG2-CG 3.79Å; I152-P174 PolarHBondContact N-O 2.67Å; I152-V175 HydrophobicContact CG2-CB 4.43Å; I152-V175 HydrophobicContact CG2-CG2 3.91Å; I152-V175 CarbonylContact O-C 3.45Å; I152-V175 VanDerWaalsContact O-CA 3.26Å; I152-V175 WeakPolarHBondContact O-CA 3.29Å; I152-I176 PolarHBondContact O-N 3.4Å
153	T	98.2	Very high	92.8	Very high	33 Å²	33	56.1 Å²	56.1	20%	0.202	28%	0.275	C	S	.	.			trans	-94.1	156.2	176.2	78.2	0	0	0	0	110.6	C59 E155 S156 P178	C59-T153 WeakPolarHBondContact CB-O 3.33Å; T153-E155 WeakPolarHBondContact CB-OE2 3.35Å; T153-E155 PolarHBondContact O-N 3.04Å; T153-E155 PolarHBondContact OG1-OE2 3.04Å; T153-S156 WeakPolarHBondContact O-CB 3.35Å; T153-S156 PolarHBondContact O-N 3.16Å; T153-S156 PolarHBondContact O-OG 3.07Å; T153-S156 PolarHBondContact OG1-N 2.82Å; T153-S156 PolarHBondContact OG1-OG 3.14Å; T153-P178 HydrophobicContact CG2-CB 4.26Å; T153-P178 HydrophobicContact CG2-CG 4.27Å
154	P	97.5	Very high	93.5	Very high	7 Å²	7	54 Å²	54	5%	0.045	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.2	177.4	21.5	-30.3	0	0	0	113.5	T58 C59 Y60 I63 S156 V175 I176 L184	T58-P154 WeakPolarHBondContact CB-O 3.33Å; C59-P154 PolarHBondContact N-O 3.02Å; Y60-P154 HydrophobicContact CD2-CB 4.13Å; Y60-P154 PolarHBondContact N-O 2.97Å; I63-P154 HydrophobicContact CD1-CB 4.3Å; P154-S156 VanDerWaalsContact C-N 3.34Å; P154-V175 HydrophobicContact CB-CG1 4.15Å; P154-I176 WeakPolarHBondContact CD-O 3.46Å; P154-L184 HydrophobicContact CB-CD1 4.2Å; P154-L184 HydrophobicContact CG-CD1 3.79Å
155	E	97.1	Very high	94.1	Very high	116 Å²	116	47.2 Å²	47.2	54%	0.542	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-18.3	179.7	-52.8	74.7	-161.9	0	0	113.4	T153	T153-E155 WeakPolarHBondContact CB-OE2 3.35Å; T153-E155 PolarHBondContact O-N 3.04Å; T153-E155 PolarHBondContact OG1-OE2 3.04Å
156	S	98.3	Very high	94.8	Very high	30 Å²	30	44.1 Å²	44.1	21%	0.21	22%	0.216	C	C	.	.	S	Bend	trans	-66.3	148.3	179.8	-59.1	0	0	0	0	110.8	T58 C59 I152 T153 P154	T58-S156 CarbonylContact C-O 3.57Å; T58-S156 WeakPolarHBondContact CA-O 3.19Å; C59-S156 PolarHBondContact N-O 3.41Å; C59-S156 PolarHBondContact SG-O 3.17Å; I152-S156 WeakPolarHBondContact CG1-OG 3.42Å; T153-S156 WeakPolarHBondContact O-CB 3.35Å; T153-S156 PolarHBondContact O-N 3.16Å; T153-S156 PolarHBondContact O-OG 3.07Å; T153-S156 PolarHBondContact OG1-N 2.82Å; T153-S156 PolarHBondContact OG1-OG 3.14Å; P154-S156 VanDerWaalsContact C-N 3.34Å
157	T	98.4	Very high	95.7	Very high	30 Å²	30	47.8 Å²	47.8	18%	0.184	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-71.7	156.2	-177.3	73.8	0	0	0	0	111.8	K55 H57 L159 D160 A161	K55-T157 WeakPolarHBondContact O-CB 3.37Å; K55-T157 WeakPolarHBondContact O-CG2 3.28Å; H57-T157 CarbonylContact O-C 3.49Å; H57-T157 VanDerWaalsContact O-CA 3.28Å; H57-T157 WeakPolarHBondContact O-CA 3.2Å; T157-L159 PolarHBondContact O-N 3.23Å; T157-D160 PolarHBondContact N-OD2 3.27Å; T157-D160 PolarHBondContact O-N 2.67Å; T157-D160 VanDerWaalsContact O-N 3.15Å; T157-D160 PolarHBondContact OG1-N 2.96Å; T157-D160 PolarHBondContact OG1-OD2 2.88Å; T157-A161 PolarHBondContact O-N 2.98Å
158	L	98.2	Very high	96.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-28.9	172.1	-63.2	-173.9	0	0	0	112	L54 H57 T58 L62 D160 A161 V162 L187 Y195	L54-L158 HydrophobicContact CB-CB 4.23Å; L54-L158 HydrophobicContact CD2-CB 3.81Å; L54-L158 HydrophobicContact CD2-CD1 4.12Å; L54-L158 CarbonylContact O-C 3.46Å; L54-L158 WeakPolarHBondContact O-CB 3.4Å; L54-L158 PolarHBondContact O-N 3.38Å; L54-L158 VanDerWaalsContact O-N 3.1Å; H57-L158 HydrophobicContact CB-CD1 3.83Å; H57-L158 HydrophobicContact CB-CG 4.12Å; H57-L158 PolarHBondContact O-N 3.07Å; T58-L158 VanDerWaalsContact O-CD2 3.25Å; T58-L158 WeakPolarHBondContact O-CD2 3.46Å; L62-L158 HydrophobicContact CD1-CD1 4.12Å; L62-L158 HydrophobicContact CD1-CD2 3.43Å; L62-L158 VanDerWaalsContact CD1-CD2 3.43Å; L62-L158 HydrophobicContact CD1-CG 4.42Å; L62-L158 HydrophobicContact CD2-CD1 4.32Å; L62-L158 HydrophobicContact CG-CD1 4.1Å; L62-L158 HydrophobicContact CG-CD2 3.7Å; L158-D160 VanDerWaalsContact C-N 3.35Å; L158-A161 WeakPolarHBondContact O-CB 3.06Å; L158-A161 PolarHBondContact O-N 2.79Å; L158-V162 WeakPolarHBondContact O-CG2 3.14Å; L158-V162 PolarHBondContact O-N 3.03Å; L158-L187 HydrophobicContact CD2-CD1 4.14Å; L158-Y195 HydrophobicContact CD1-CD1 3.71Å; L158-Y195 HydrophobicContact CD1-CE1 3.99Å
159	L	97.8	Very high	96.7	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-43.5	172.2	179.5	60.4	0	0	0	111.1	K51 L54 K55 T157 A161 V162 R163 I342	K51-L159 HydrophobicContact CG-CD1 4.13Å; K51-L159 HydrophobicContact CG-CD2 4.03Å; L54-L159 HydrophobicContact CB-CB 4.09Å; L54-L159 PolarHBondContact O-N 3.02Å; K55-L159 HydrophobicContact CB-CB 4.38Å; K55-L159 HydrophobicContact CB-CD2 3.95Å; K55-L159 HydrophobicContact CG-CD2 4.33Å; T157-L159 PolarHBondContact O-N 3.23Å; L159-A161 VanDerWaalsContact C-N 3.33Å; L159-V162 PolarHBondContact O-N 3.23Å; L159-R163 WeakPolarHBondContact O-CG 3.42Å; L159-R163 PolarHBondContact O-N 2.68Å; L159-I342 HydrophobicContact CD1-CB 3.88Å; L159-I342 HydrophobicContact CD1-CD1 4Å; L159-I342 HydrophobicContact CD1-CG2 3.74Å
160	D	98	Very high	96.8	Very high	59 Å²	59	47.9 Å²	47.9	32%	0.316	22%	0.224	S	C	.	.	H	α-helix	trans	-65.2	-39.8	175.3	-60.1	-38.4	0	0	0	111.1	I152 T157 L158 V162 R163 M164	I152-D160 HydrophobicContact CD1-CB 4.43Å; T157-D160 PolarHBondContact N-OD2 3.27Å; T157-D160 PolarHBondContact O-N 2.67Å; T157-D160 VanDerWaalsContact O-N 3.15Å; T157-D160 PolarHBondContact OG1-N 2.96Å; T157-D160 PolarHBondContact OG1-OD2 2.88Å; L158-D160 VanDerWaalsContact C-N 3.35Å; D160-V162 PolarHBondContact O-N 3.06Å; D160-R163 PolarHBondContact O-N 3.3Å; D160-R163 IonicContact OD1-NH1 2.64Å; D160-R163 PolarHBondContact OD1-NH1 3.03Å; D160-M164 WeakPolarHBondContact O-CB 3.47Å; D160-M164 VanDerWaalsContact O-CG 3.3Å; D160-M164 WeakPolarHBondContact O-CG 3.41Å; D160-M164 PolarHBondContact O-N 3.49Å
161	A	98.4	Very high	96.8	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.2	-47	174	0	0	0	0	0	112.2	I152 T157 L158 L159 M164 L165 L173 L187	I152-A161 VanDerWaalsContact CD1-CA 3.48Å; I152-A161 HydrophobicContact CD1-CB 3.7Å; T157-A161 PolarHBondContact O-N 2.98Å; L158-A161 WeakPolarHBondContact O-CB 3.06Å; L158-A161 PolarHBondContact O-N 2.79Å; L159-A161 VanDerWaalsContact C-N 3.33Å; A161-M164 PolarHBondContact O-N 3.27Å; A161-L165 VanDerWaalsContact O-CG 3.25Å; A161-L165 WeakPolarHBondContact O-CG 3.38Å; A161-L165 PolarHBondContact O-N 3.21Å; A161-L173 HydrophobicContact CB-CD2 4.34Å; A161-L187 HydrophobicContact CB-CD1 3.77Å; A161-L187 HydrophobicContact CB-CD2 3.91Å
162	V	98.2	Very high	96.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-48.5	176.4	174.2	0	0	0	0	110.4	L54 L158 L159 D160 M164 L165 L166 V192 L338 I342	L54-V162 HydrophobicContact CD1-CG2 4.37Å; L158-V162 WeakPolarHBondContact O-CG2 3.14Å; L158-V162 PolarHBondContact O-N 3.03Å; L159-V162 PolarHBondContact O-N 3.23Å; D160-V162 PolarHBondContact O-N 3.06Å; V162-M164 VanDerWaalsContact C-N 3.3Å; V162-M164 PolarHBondContact O-N 3.17Å; V162-L165 PolarHBondContact O-N 3.26Å; V162-L166 HydrophobicContact CG1-CD1 3.7Å; V162-L166 HydrophobicContact CG1-CG 4.12Å; V162-L166 WeakPolarHBondContact O-CB 3.03Å; V162-L166 VanDerWaalsContact O-CG 3.24Å; V162-L166 WeakPolarHBondContact O-CG 3.29Å; V162-L166 PolarHBondContact O-N 3.14Å; V162-V192 HydrophobicContact CG2-CB 4.5Å; V162-V192 HydrophobicContact CG2-CG1 3.65Å; V162-L338 HydrophobicContact CG1-CB 3.95Å; V162-L338 HydrophobicContact CG2-CD2 4.23Å; V162-I342 HydrophobicContact CB-CD1 4.42Å; V162-I342 HydrophobicContact CG1-CD1 3.67Å; V162-I342 HydrophobicContact CG1-CG1 4.41Å; V162-I342 HydrophobicContact CG1-CG2 4.41Å
163	R	97.6	Very high	96.6	Very high	86 Å²	86	47.9 Å²	47.9	33%	0.325	23%	0.225	S	C	.	.	H	α-helix	trans	-57.2	-43	177.4	-73.5	172.8	171.1	148.5	-4.8	112.2	L159 D160 L166 K167 I342 E344	L159-R163 WeakPolarHBondContact O-CG 3.42Å; L159-R163 PolarHBondContact O-N 2.68Å; D160-R163 PolarHBondContact O-N 3.3Å; D160-R163 IonicContact OD1-NH1 2.64Å; D160-R163 PolarHBondContact OD1-NH1 3.03Å; R163-L166 PolarHBondContact O-N 3.17Å; R163-K167 WeakPolarHBondContact O-CB 3.45Å; R163-K167 PolarHBondContact O-N 3.26Å; R163-I342 HydrophobicContact CG-CD1 4.18Å; R163-E344 IonicContact NE-OE1 3.43Å
164	M	97.2	Very high	96.6	Very high	48 Å²	48	46.5 Å²	46.5	24%	0.236	22%	0.216	C	C	.	.	H	α-helix	trans	-64.8	-45.6	177.3	-71.7	-173.4	72.8	0	0	111.9	I150 Y151 I152 D160 A161 V162 L166 H168 L173	I150-M164 HydrophobicContact CG2-CE 3.6Å; Y151-M164 WeakPolarHBondContact O-CE 3.49Å; I152-M164 HydrophobicContact CB-SD 4.27Å; I152-M164 HydrophobicContact CD1-SD 3.92Å; I152-M164 HydrophobicContact CG1-SD 4.16Å; D160-M164 WeakPolarHBondContact O-CB 3.47Å; D160-M164 VanDerWaalsContact O-CG 3.3Å; D160-M164 WeakPolarHBondContact O-CG 3.41Å; D160-M164 PolarHBondContact O-N 3.49Å; A161-M164 PolarHBondContact O-N 3.27Å; V162-M164 VanDerWaalsContact C-N 3.3Å; V162-M164 PolarHBondContact O-N 3.17Å; M164-L166 VanDerWaalsContact C-N 3.31Å; M164-L166 PolarHBondContact O-N 3.37Å; M164-H168 WeakPolarHBondContact O-CB 3.33Å; M164-H168 PolarHBondContact O-CD2 3.06Å; M164-H168 VanDerWaalsContact O-CD2 3.22Å; M164-H168 PolarHBondContact O-N 2.93Å; M164-L173 HydrophobicContact CB-CD2 3.85Å; M164-L173 HydrophobicContact CE-CD1 4.25Å; M164-L173 HydrophobicContact SD-CD2 4.32Å
165	L	96.8	Very high	96.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.8	-44.3	176	-70.8	166.4	0	0	0	111.6	A161 V162 K169 V170 L173 L187 H189	A161-L165 VanDerWaalsContact O-CG 3.25Å; A161-L165 WeakPolarHBondContact O-CG 3.38Å; A161-L165 PolarHBondContact O-N 3.21Å; V162-L165 PolarHBondContact O-N 3.26Å; L165-K169 WeakPolarHBondContact O-CA 3.45Å; L165-K169 PolarHBondContact O-N 3.24Å; L165-V170 HydrophobicContact CD2-CG2 4.2Å; L165-V170 WeakPolarHBondContact CD2-O 3.22Å; L165-V170 PolarHBondContact O-N 3.05Å; L165-L173 HydrophobicContact CD2-CB 3.8Å; L165-L173 HydrophobicContact CG-CB 4.35Å; L165-L173 HydrophobicContact CG-CD2 4.49Å; L165-L187 HydrophobicContact CD1-CD2 3.74Å; L165-H189 WeakPolarHBondContact CB-NE2 3.35Å
166	L	95.6	Very high	96.6	Very high	13 Å²	13	41.1 Å²	41.1	7%	0.068	19%	0.191	C	C	.	.	H	α-helix	trans	-70.5	-50.6	-180	-64.8	177.5	0	0	0	112.2	V162 R163 M164 H168 K169 S335 R339 I342	V162-L166 HydrophobicContact CG1-CD1 3.7Å; V162-L166 HydrophobicContact CG1-CG 4.12Å; V162-L166 WeakPolarHBondContact O-CB 3.03Å; V162-L166 VanDerWaalsContact O-CG 3.24Å; V162-L166 WeakPolarHBondContact O-CG 3.29Å; V162-L166 PolarHBondContact O-N 3.14Å; R163-L166 PolarHBondContact O-N 3.17Å; M164-L166 VanDerWaalsContact C-N 3.31Å; M164-L166 PolarHBondContact O-N 3.37Å; L166-H168 VanDerWaalsContact C-N 3.32Å; L166-H168 PolarHBondContact O-N 3.18Å; L166-K169 PolarHBondContact O-N 3.32Å; L166-S335 WeakPolarHBondContact CD2-O 3.49Å; L166-R339 HydrophobicContact CD1-CB 3.77Å; L166-R339 HydrophobicContact CD1-CG 4.16Å; L166-R339 HydrophobicContact CD2-CB 4.18Å; L166-I342 HydrophobicContact CD1-CD1 4.07Å
167	K	94.7	Very high	96.5	Very high	166 Å²	166	41.4 Å²	41.4	72%	0.722	19%	0.19	S	C	*	.	H	α-helix	trans	-57.5	-45.3	-179.5	179	-179.4	179.1	-178.7	0	111.4	R163	R163-K167 WeakPolarHBondContact O-CB 3.45Å; R163-K167 PolarHBondContact O-N 3.26Å
168	H	93.4	Very high	96.3	Very high	61 Å²	61	43.6 Å²	43.6	28%	0.282	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-1	-177.1	-63.8	-74	0	0	0	113.8	R147 I150 M164 L166 V170	R147-H168 PolarHBondContact NH1-O 2.93Å; I150-H168 HydrophobicContact CD1-CB 3.6Å; I150-H168 VanDerWaalsContact CD1-CG 3.5Å; I150-H168 WeakPolarHBondContact CD1-ND1 3.35Å; M164-H168 WeakPolarHBondContact O-CB 3.33Å; M164-H168 PolarHBondContact O-CD2 3.06Å; M164-H168 VanDerWaalsContact O-CD2 3.22Å; M164-H168 PolarHBondContact O-N 2.93Å; L166-H168 VanDerWaalsContact C-N 3.32Å; L166-H168 PolarHBondContact O-N 3.18Å; H168-V170 VanDerWaalsContact C-N 3.28Å; H168-V170 HydrophobicContact CB-CG1 4.42Å; H168-V170 HydrophobicContact CB-CG2 4.12Å; H168-V170 PolarHBondContact O-N 2.85Å
169	K	92.8	Very high	96.1	Very high	175 Å²	175	51.2 Å²	51.2	76%	0.761	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	48.3	-178.8	-56.6	-176.2	179.4	-174.5	0	111.8	L165 L166	L165-K169 WeakPolarHBondContact O-CA 3.45Å; L165-K169 PolarHBondContact O-N 3.24Å; L166-K169 PolarHBondContact O-N 3.32Å
170	V	94.1	Very high	96	Very high	30 Å²	30	53.9 Å²	53.9	18%	0.182	26%	0.263	C	S	.	.			trans	-117.9	145.8	178.7	-67.7	0	0	0	0	110.2	L165 H168 H189	L165-V170 HydrophobicContact CD2-CG2 4.2Å; L165-V170 WeakPolarHBondContact CD2-O 3.22Å; L165-V170 PolarHBondContact O-N 3.05Å; H168-V170 VanDerWaalsContact C-N 3.28Å; H168-V170 HydrophobicContact CB-CG1 4.42Å; H168-V170 HydrophobicContact CB-CG2 4.12Å; H168-V170 PolarHBondContact O-N 2.85Å; V170-H189 PolarHBondContact O-CE1 3.4Å
171	H	94.2	Very high	95.7	Very high	75 Å²	75	52.6 Å²	52.6	35%	0.347	26%	0.263	S	S	.	.	S	Bend	trans	-87.9	-11.2	-179.3	-63.5	178.6	0	0	0	113.8	H189 H318	H171-H189 AromaticContact CD2-CE1 3.93Å; H171-H318 AromaticContact CD2-CE1 4Å; H171-H318 AromaticContact CE1-CE1 3.71Å; H171-H318 AromaticContact CG-NE2 3.79Å; H171-H318 AromaticContact ND1-CE1 3.94Å; H171-H318 AromaticContact ND1-NE2 3.82Å; H171-H318 AromaticContact NE2-CE1 3.75Å
172	R	95.8	Very high	95.5	Very high	73 Å²	73	57 Å²	57	28%	0.275	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	138.9	-168.7	-60.7	-175.4	174.8	-102	-24.7	108.6	I186 L187 T188	R172-I186 HydrophobicContact CB-CG2 3.74Å; R172-I186 HydrophobicContact CG-CG2 4.12Å; R172-L187 CarbonylContact C-O 3.41Å; R172-L187 VanDerWaalsContact CA-O 3.29Å; R172-L187 WeakPolarHBondContact CA-O 3.16Å; R172-T188 HydrophobicContact CG-CG2 4.06Å
173	L	96.9	Very high	95.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	109.8	-179.2	-173	59.9	0	0	0	108.4	I150 I152 A161 M164 L165 V175 L187	I150-L173 HydrophobicContact CG2-CD1 3.73Å; I152-L173 HydrophobicContact CB-CD2 3.75Å; I152-L173 HydrophobicContact CB-CG 4.02Å; I152-L173 HydrophobicContact CD1-CD2 4.04Å; I152-L173 HydrophobicContact CG2-CD2 3.71Å; I152-L173 HydrophobicContact CG2-CG 3.79Å; A161-L173 HydrophobicContact CB-CD2 4.34Å; M164-L173 HydrophobicContact CB-CD2 3.85Å; M164-L173 HydrophobicContact CE-CD1 4.25Å; M164-L173 HydrophobicContact SD-CD2 4.32Å; L165-L173 HydrophobicContact CD2-CB 3.8Å; L165-L173 HydrophobicContact CG-CB 4.35Å; L165-L173 HydrophobicContact CG-CD2 4.49Å; L173-V175 PolarHBondContact O-N 2.85Å; L173-L187 HydrophobicContact CB-CB 4.48Å; L173-L187 PolarHBondContact N-O 2.77Å; L173-L187 WeakPolarHBondContact O-CB 3.49Å; L173-L187 PolarHBondContact O-N 3.11Å
174	P	97.9	Very high	95.2	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.019	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	131.4	170.7	-26.6	35.6	0	0	0	111.5	I94 T106 L149 I150 Y151 I152 I176 I186	I94-P174 HydrophobicContact CD1-CB 3.88Å; I94-P174 HydrophobicContact CD1-CG 4.26Å; I94-P174 HydrophobicContact CG1-CB 4.41Å; I94-P174 HydrophobicContact CG1-CG 4.25Å; T106-P174 HydrophobicContact CG2-CG 3.74Å; L149-P174 HydrophobicContact CD1-CG 4.23Å; I150-P174 WeakPolarHBondContact O-CD 3.47Å; Y151-P174 CarbonylContact C-O 3.58Å; Y151-P174 VanDerWaalsContact CA-O 3.31Å; Y151-P174 WeakPolarHBondContact CA-O 3.44Å; Y151-P174 WeakPolarHBondContact CB-O 3.5Å; I152-P174 PolarHBondContact N-O 2.67Å; P174-I176 HydrophobicContact CB-CD1 4.4Å; P174-I176 HydrophobicContact CB-CG1 4.26Å; P174-I186 HydrophobicContact CB-CD1 4.2Å; P174-I186 HydrophobicContact CG-CD1 4.09Å
175	V	98	Very high	95.2	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.3	168.6	-172.2	0	0	0	0	106.9	C59 I63 I152 P154 L173 L184 H185 L187	C59-V175 HydrophobicContact CB-CG1 4.41Å; C59-V175 HydrophobicContact CB-CG2 4.5Å; I63-V175 HydrophobicContact CD1-CG1 4.15Å; I152-V175 HydrophobicContact CG2-CB 4.43Å; I152-V175 HydrophobicContact CG2-CG2 3.91Å; I152-V175 CarbonylContact O-C 3.45Å; I152-V175 VanDerWaalsContact O-CA 3.26Å; I152-V175 WeakPolarHBondContact O-CA 3.29Å; P154-V175 HydrophobicContact CB-CG1 4.15Å; L173-V175 PolarHBondContact O-N 2.85Å; V175-L184 PolarHBondContact O-N 3.48Å; V175-H185 HydrophobicContact CB-CB 4.39Å; V175-H185 HydrophobicContact CG2-CB 4.44Å; V175-H185 PolarHBondContact N-O 3.04Å; V175-H185 PolarHBondContact O-N 3.45Å; V175-L187 HydrophobicContact CG2-CB 3.89Å
176	I	97.1	Very high	95.2	Very high	9 Å²	9	57.2 Å²	57.2	5%	0.046	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.2	-174.7	-60.4	-177.4	0	0	0	108.6	L149 Y151 I152 P154 P174 P178 G181 N182 P183	L149-I176 HydrophobicContact CD2-CD1 3.87Å; Y151-I176 HydrophobicContact CD1-CD1 4.4Å; Y151-I176 HydrophobicContact CD2-CB 3.86Å; Y151-I176 HydrophobicContact CD2-CD1 4.03Å; Y151-I176 HydrophobicContact CD2-CG1 4.18Å; Y151-I176 HydrophobicContact CE2-CB 4.45Å; Y151-I176 HydrophobicContact CG-CB 4.47Å; Y151-I176 HydrophobicContact CG-CD1 3.78Å; Y151-I176 HydrophobicContact CG-CG1 4.3Å; I152-I176 PolarHBondContact O-N 3.4Å; P154-I176 WeakPolarHBondContact CD-O 3.46Å; P174-I176 HydrophobicContact CB-CD1 4.4Å; P174-I176 HydrophobicContact CB-CG1 4.26Å; I176-P178 WeakPolarHBondContact O-CD 3.48Å; I176-G181 WeakPolarHBondContact CG2-O 3.45Å; I176-N182 WeakPolarHBondContact CA-O 3.26Å; I176-P183 HydrophobicContact CG1-CB 4.48Å
177	D	96	Very high	95.3	Very high	37 Å²	37	56.6 Å²	56.6	20%	0.198	29%	0.292	C	S	.	.			trans	-68.3	119.5	171.4	172.9	13.5	0	0	0	109.6	I179 S180 G181 N182 L184	D177-I179 PolarHBondContact O-N 2.88Å; D177-I179 PolarHBondContact OD1-N 3.1Å; D177-S180 VanDerWaalsContact OD2-CB 3.23Å; D177-S180 WeakPolarHBondContact OD2-CB 3.31Å; D177-S180 PolarHBondContact OD2-N 3.05Å; D177-S180 PolarHBondContact OD2-OG 3.17Å; D177-G181 WeakPolarHBondContact O-CA 3.4Å; D177-G181 PolarHBondContact O-N 3.42Å; D177-N182 PolarHBondContact N-O 3.26Å; D177-L184 HydrophobicContact CB-CD1 4.05Å; D177-L184 HydrophobicContact CB-CD2 4.12Å; D177-L184 HydrophobicContact CB-CG 4.14Å
178	P	94.2	Very high	95.4	Very high	75 Å²	75	50 Å²	50	49%	0.487	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.7	-178.9	27.8	-35.6	0	0	0	113.8	T153 I176	T153-P178 HydrophobicContact CG2-CB 4.26Å; T153-P178 HydrophobicContact CG2-CG 4.27Å; I176-P178 WeakPolarHBondContact O-CD 3.48Å
179	I	94.5	Very high	95.6	Very high	161 Å²	161	47.1 Å²	47.1	83%	0.826	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-55.5	-177.7	-59.2	175.5	0	0	0	110.4	D177	D177-I179 PolarHBondContact O-N 2.88Å; D177-I179 PolarHBondContact OD1-N 3.1Å
180	S	93.8	Very high	95.8	Very high	60 Å²	60	43.3 Å²	43.3	42%	0.42	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-15.7	-177.7	68.6	0	0	0	0	114	D177 N182	D177-S180 VanDerWaalsContact OD2-CB 3.23Å; D177-S180 WeakPolarHBondContact OD2-CB 3.31Å; D177-S180 PolarHBondContact OD2-N 3.05Å; D177-S180 PolarHBondContact OD2-OG 3.17Å; S180-N182 VanDerWaalsContact CB-ND2 3.31Å; S180-N182 WeakPolarHBondContact CB-ND2 3.46Å; S180-N182 PolarHBondContact O-N 2.9Å; S180-N182 WeakPolarHBondContact OG-CB 3.44Å; S180-N182 PolarHBondContact OG-N 2.88Å; S180-N182 PolarHBondContact OG-ND2 3.2Å
181	G	92.5	Very high	95.9	Very high	32 Å²	32	46.1 Å²	46.1	33%	0.33	24%	0.243	S	C	.	.			trans	72.7	3.1	-171.7	0	0	0	0	0	113.8	H103 I176 D177	H103-G181 PolarHBondContact CD2-O 3.18Å; H103-G181 PolarHBondContact NE2-O 3.48Å; I176-G181 WeakPolarHBondContact CG2-O 3.45Å; D177-G181 WeakPolarHBondContact O-CA 3.4Å; D177-G181 PolarHBondContact O-N 3.42Å
182	N	93.7	Very high	96.1	Very high	92 Å²	92	42.5 Å²	42.5	49%	0.492	23%	0.226	S	C	.	.			trans	-77.6	139	-174.7	-71.9	-45.9	0	0	0	112.2	I176 D177 S180 L184	I176-N182 WeakPolarHBondContact CA-O 3.26Å; D177-N182 PolarHBondContact N-O 3.26Å; S180-N182 VanDerWaalsContact CB-ND2 3.31Å; S180-N182 WeakPolarHBondContact CB-ND2 3.46Å; S180-N182 PolarHBondContact O-N 2.9Å; S180-N182 WeakPolarHBondContact OG-CB 3.44Å; S180-N182 PolarHBondContact OG-N 2.88Å; S180-N182 PolarHBondContact OG-ND2 3.2Å; N182-L184 PolarHBondContact O-N 2.98Å
183	P	95.5	Very high	96.2	Very high	26 Å²	26	39.1 Å²	39.1	17%	0.169	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.4	173.2	30.4	-31.9	0	0	0	110.8	L69 V71 I94 I176	L69-P183 HydrophobicContact CD1-CB 3.9Å; L69-P183 HydrophobicContact CD2-CB 3.91Å; L69-P183 HydrophobicContact CD2-CG 3.73Å; V71-P183 HydrophobicContact CG2-CG 3.93Å; I94-P183 HydrophobicContact CD1-CB 3.29Å; I94-P183 HydrophobicContact CD1-CG 4.08Å; I176-P183 HydrophobicContact CG1-CB 4.48Å
184	L	95.4	Very high	96.2	Very high	69 Å²	69	44.6 Å²	44.6	36%	0.361	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-42.8	-176.5	-55.3	-179.8	0	0	0	112	I63 P154 V175 D177 N182	I63-L184 HydrophobicContact CD1-CB 4.01Å; I63-L184 HydrophobicContact CD1-CD1 4.11Å; P154-L184 HydrophobicContact CB-CD1 4.2Å; P154-L184 HydrophobicContact CG-CD1 3.79Å; V175-L184 PolarHBondContact O-N 3.48Å; D177-L184 HydrophobicContact CB-CD1 4.05Å; D177-L184 HydrophobicContact CB-CD2 4.12Å; D177-L184 HydrophobicContact CB-CG 4.14Å; N182-L184 PolarHBondContact O-N 2.98Å
185	H	96.8	Very high	96.2	Very high	23 Å²	23	46.5 Å²	46.5	11%	0.106	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	173.8	-176.2	-163.1	46.3	0	0	0	113.1	I63 A67 V175	I63-H185 HydrophobicContact CG1-CB 3.99Å; I63-H185 HydrophobicContact CG2-CB 4.26Å; A67-H185 WeakPolarHBondContact CB-ND1 3.48Å; V175-H185 HydrophobicContact CB-CB 4.39Å; V175-H185 HydrophobicContact CG2-CB 4.44Å; V175-H185 PolarHBondContact N-O 3.04Å; V175-H185 PolarHBondContact O-N 3.45Å
186	I	97.3	Very high	96.1	Very high	21 Å²	21	46.5 Å²	46.5	11%	0.108	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	105.5	169	-58	-61.8	0	0	0	108.7	L69 V92 I94 R172 P174 T188	L69-I186 HydrophobicContact CD1-CD1 4.16Å; L69-I186 HydrophobicContact CD1-CG1 4.17Å; V92-I186 HydrophobicContact CG1-CB 4.42Å; V92-I186 HydrophobicContact CG1-CD1 3.96Å; V92-I186 HydrophobicContact CG1-CG1 3.83Å; V92-I186 HydrophobicContact CG1-CG2 3.83Å; I94-I186 HydrophobicContact CD1-CD1 4.12Å; I94-I186 HydrophobicContact CG1-CD1 4.21Å; R172-I186 HydrophobicContact CB-CG2 3.74Å; R172-I186 HydrophobicContact CG-CG2 4.12Å; P174-I186 HydrophobicContact CB-CD1 4.2Å; P174-I186 HydrophobicContact CG-CD1 4.09Å; I186-T188 HydrophobicContact CG2-CG2 4.25Å
187	L	97.4	Very high	96.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	143.6	173.3	-173.6	153.4	0	0	0	109.9	C59 L62 L158 A161 L165 R172 L173 V175 V192	C59-L187 HydrophobicContact CB-CD1 4.16Å; L62-L187 HydrophobicContact CD1-CD1 3.88Å; L62-L187 HydrophobicContact CD1-CG 4.1Å; L158-L187 HydrophobicContact CD2-CD1 4.14Å; A161-L187 HydrophobicContact CB-CD1 3.77Å; A161-L187 HydrophobicContact CB-CD2 3.91Å; L165-L187 HydrophobicContact CD1-CD2 3.74Å; R172-L187 CarbonylContact C-O 3.41Å; R172-L187 VanDerWaalsContact CA-O 3.29Å; R172-L187 WeakPolarHBondContact CA-O 3.16Å; L173-L187 HydrophobicContact CB-CB 4.48Å; L173-L187 PolarHBondContact N-O 2.77Å; L173-L187 WeakPolarHBondContact O-CB 3.49Å; L173-L187 PolarHBondContact O-N 3.11Å; V175-L187 HydrophobicContact CG2-CB 3.89Å; L187-V192 HydrophobicContact CD1-CG2 4.49Å; L187-V192 HydrophobicContact CD2-CG2 3.6Å; L187-V192 HydrophobicContact CG-CG2 4.14Å
188	T	97	Very high	96.1	Very high	26 Å²	26	49.8 Å²	49.8	16%	0.16	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	155.5	-178.8	69	0	0	0	0	111.6	R172 I186 K190 R191 V192	R172-T188 HydrophobicContact CG-CG2 4.06Å; I186-T188 HydrophobicContact CG2-CG2 4.25Å; T188-K190 PolarHBondContact O-N 3.02Å; T188-R191 PolarHBondContact O-N 3.31Å; T188-R191 WeakPolarHBondContact OG1-CB 3.44Å; T188-R191 PolarHBondContact OG1-N 3.44Å; T188-V192 PolarHBondContact O-N 3.46Å
189	H	97.2	Very high	96.2	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-49.8	-46	173	-61.8	119.9	0	0	0	112.3	L165 V170 H171 R191 V192 L193 H318 L334 S335 L338	L165-H189 WeakPolarHBondContact CB-NE2 3.35Å; V170-H189 PolarHBondContact O-CE1 3.4Å; H171-H189 AromaticContact CD2-CE1 3.93Å; H189-R191 VanDerWaalsContact C-N 3.26Å; H189-R191 PolarHBondContact O-N 3.27Å; H189-V192 PolarHBondContact O-N 2.7Å; H189-L193 PolarHBondContact O-N 2.99Å; H189-H318 AromaticContact ND1-NE2 3.52Å; H189-L334 HydrophobicContact CB-CB 3.8Å; H189-L334 HydrophobicContact CB-CD1 4.1Å; H189-S335 PolarHBondContact CE1-OG 3.36Å; H189-S335 PolarHBondContact NE2-OG 3.08Å; H189-L338 HydrophobicContact CB-CD1 3.75Å
190	K	96.6	Very high	96.1	Very high	95 Å²	95	40.6 Å²	40.6	41%	0.413	21%	0.208	S	C	.	.	H	α-helix	trans	-60	-39.8	-178.2	-176.4	177.4	175.5	-179.2	0	111.3	T188 K194 G316 L334	T188-K190 PolarHBondContact O-N 3.02Å; K190-K194 WeakPolarHBondContact O-CB 3.41Å; K190-K194 PolarHBondContact O-N 2.96Å; K190-G316 WeakPolarHBondContact CE-O 3.46Å; K190-G316 VanDerWaalsContact NZ-C 3.33Å; K190-G316 VanDerWaalsContact NZ-CA 3.29Å; K190-G316 PolarHBondContact NZ-O 3.24Å; K190-L334 HydrophobicContact CB-CD1 3.71Å; K190-L334 HydrophobicContact CG-CD1 4.4Å
191	R	96.7	Very high	95.9	Very high	89 Å²	89	40.7 Å²	40.7	34%	0.336	21%	0.208	S	C	.	.	H	α-helix	trans	-73.2	-40.8	-178.2	-167	162.5	176.5	75.2	6.2	111.8	L62 T188 H189 K194 Y195	L62-R191 HydrophobicContact CB-CG 4.49Å; L62-R191 HydrophobicContact CD1-CG 4.44Å; L62-R191 HydrophobicContact CD2-CG 4.4Å; L62-R191 PolarHBondContact O-NE 3.38Å; L62-R191 PolarHBondContact O-NH2 2.89Å; T188-R191 PolarHBondContact O-N 3.31Å; T188-R191 WeakPolarHBondContact OG1-CB 3.44Å; T188-R191 PolarHBondContact OG1-N 3.44Å; H189-R191 VanDerWaalsContact C-N 3.26Å; H189-R191 PolarHBondContact O-N 3.27Å; R191-K194 PolarHBondContact O-N 2.73Å; R191-Y195 WeakPolarHBondContact O-CB 3.46Å; R191-Y195 PolarHBondContact O-N 2.77Å
192	V	98.1	Very high	95.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-50	173.5	179	0	0	0	0	110.8	L54 L62 V162 L187 T188 H189 K194 Y195 L196 L338	L54-V192 HydrophobicContact CD2-CG1 3.87Å; L62-V192 HydrophobicContact CD1-CB 4.39Å; L62-V192 HydrophobicContact CD1-CG2 3.7Å; V162-V192 HydrophobicContact CG2-CB 4.5Å; V162-V192 HydrophobicContact CG2-CG1 3.65Å; L187-V192 HydrophobicContact CD1-CG2 4.49Å; L187-V192 HydrophobicContact CD2-CG2 3.6Å; L187-V192 HydrophobicContact CG-CG2 4.14Å; T188-V192 PolarHBondContact O-N 3.46Å; H189-V192 PolarHBondContact O-N 2.7Å; V192-K194 VanDerWaalsContact C-N 3.35Å; V192-K194 PolarHBondContact O-N 3.35Å; V192-Y195 PolarHBondContact O-N 3.05Å; V192-L196 PolarHBondContact O-N 3.07Å; V192-L338 HydrophobicContact CG1-CD2 4.09Å
193	L	98	Very high	95.6	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-41.4	-179.4	-172.5	66.8	0	0	0	111.6	H189 Y195 L196 H197 V309 I312 V313 L334 I337 L338 L341	H189-L193 PolarHBondContact O-N 2.99Å; L193-Y195 VanDerWaalsContact C-N 3.31Å; L193-Y195 PolarHBondContact O-N 2.86Å; L193-L196 PolarHBondContact O-N 2.8Å; L193-H197 VanDerWaalsContact O-CB 3.26Å; L193-H197 WeakPolarHBondContact O-CB 3.4Å; L193-H197 PolarHBondContact O-N 3.42Å; L193-V309 HydrophobicContact CD1-CG1 4.35Å; L193-I312 HydrophobicContact CD2-CG2 3.76Å; L193-V313 HydrophobicContact CD2-CG2 3.83Å; L193-V313 HydrophobicContact CG-CG2 3.91Å; L193-L334 HydrophobicContact CB-CD2 4.3Å; L193-L334 HydrophobicContact CD2-CD2 3.29Å; L193-L334 HydrophobicContact CG-CD2 4.42Å; L193-I337 HydrophobicContact CD1-CG2 4Å; L193-I337 HydrophobicContact CD2-CG2 4.22Å; L193-L338 HydrophobicContact CB-CD2 4.33Å; L193-L338 HydrophobicContact CD1-CD2 4.21Å; L193-L341 HydrophobicContact CD1-CD1 3.83Å
194	K	97.6	Very high	95.4	Very high	114 Å²	114	41.6 Å²	41.6	50%	0.496	20%	0.2	S	C	.	.	H	α-helix	trans	-62	-39.2	176	-178	168.9	-179.1	169.3	0	112	K190 R191 V192 H197 I198 V313	K190-K194 WeakPolarHBondContact O-CB 3.41Å; K190-K194 PolarHBondContact O-N 2.96Å; R191-K194 PolarHBondContact O-N 2.73Å; V192-K194 VanDerWaalsContact C-N 3.35Å; V192-K194 PolarHBondContact O-N 3.35Å; K194-H197 WeakPolarHBondContact O-CB 3.07Å; K194-H197 PolarHBondContact O-N 2.81Å; K194-I198 HydrophobicContact CG-CD1 4.08Å; K194-I198 WeakPolarHBondContact O-CD1 3.38Å; K194-I198 VanDerWaalsContact O-CG1 3.29Å; K194-I198 WeakPolarHBondContact O-CG1 3.28Å; K194-I198 PolarHBondContact O-N 3.37Å; K194-I198 VanDerWaalsContact O-N 3.08Å; K194-V313 HydrophobicContact CB-CG1 4.49Å; K194-V313 HydrophobicContact CG-CG1 4.37Å
195	Y	97.2	Very high	95.2	Very high	43 Å²	43	42.5 Å²	42.5	17%	0.169	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-46	177.2	-174.7	-97.5	0	0	0	112	F53 H57 D61 L62 L158 R191 V192 L193 H197 I198 H199	F53-Y195 AromaticContact CE1-CD1 3.78Å; F53-Y195 HydrophobicContact CE1-CD1 3.78Å; F53-Y195 AromaticContact CE1-CE1 3.73Å; F53-Y195 HydrophobicContact CE1-CE1 3.73Å; F53-Y195 AromaticContact CZ-CD1 3.98Å; F53-Y195 HydrophobicContact CZ-CD1 3.98Å; F53-Y195 AromaticContact CZ-CE1 3.55Å; F53-Y195 HydrophobicContact CZ-CE1 3.55Å; H57-Y195 HydrophobicContact CB-CE1 4.18Å; H57-Y195 AromaticContact CD2-CE1 3.7Å; H57-Y195 AromaticContact CD2-CZ 3.78Å; H57-Y195 PolarHBondContact CD2-OH 2.96Å; H57-Y195 AromaticContact CG-CE1 3.88Å; H57-Y195 PolarHBondContact NE2-OH 2.89Å; D61-Y195 HydrophobicContact CB-CE2 4.36Å; L62-Y195 HydrophobicContact CD2-CD1 4.03Å; L62-Y195 HydrophobicContact CD2-CD2 3.41Å; L62-Y195 VanDerWaalsContact CD2-CD2 3.41Å; L62-Y195 HydrophobicContact CD2-CE2 4.2Å; L62-Y195 HydrophobicContact CD2-CG 3.31Å; L158-Y195 HydrophobicContact CD1-CD1 3.71Å; L158-Y195 HydrophobicContact CD1-CE1 3.99Å; R191-Y195 WeakPolarHBondContact O-CB 3.46Å; R191-Y195 PolarHBondContact O-N 2.77Å; V192-Y195 PolarHBondContact O-N 3.05Å; L193-Y195 VanDerWaalsContact C-N 3.31Å; L193-Y195 PolarHBondContact O-N 2.86Å; Y195-H197 VanDerWaalsContact C-N 3.33Å; Y195-H197 PolarHBondContact O-N 3.32Å; Y195-I198 PolarHBondContact O-N 3.16Å; Y195-H199 AromaticContact CE2-CE1 3.63Å; Y195-H199 AromaticContact CZ-CE1 3.59Å; Y195-H199 PolarHBondContact O-ND1 3.49Å
196	L	96.5	Very high	95	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-58.4	-46.4	171.8	176.1	62.9	0	0	0	111.1	Y50 F53 V192 L193 I198 H199 L200 L203 L341	Y50-L196 HydrophobicContact CD1-CD1 4.17Å; Y50-L196 HydrophobicContact CD2-CD2 4.08Å; Y50-L196 HydrophobicContact CG-CD1 4.08Å; Y50-L196 HydrophobicContact CG-CD2 4.17Å; F53-L196 HydrophobicContact CD1-CD1 3.57Å; F53-L196 HydrophobicContact CE1-CB 4.49Å; F53-L196 HydrophobicContact CE1-CD1 3.99Å; F53-L196 HydrophobicContact CG-CD1 4.26Å; V192-L196 PolarHBondContact O-N 3.07Å; L193-L196 PolarHBondContact O-N 2.8Å; L196-I198 VanDerWaalsContact C-N 3.33Å; L196-I198 PolarHBondContact O-N 3.29Å; L196-H199 PolarHBondContact O-N 3.26Å; L196-H199 VanDerWaalsContact O-N 3.12Å; L196-L200 HydrophobicContact CD1-CD2 4.07Å; L196-L200 HydrophobicContact CG-CD2 4Å; L196-L200 WeakPolarHBondContact O-CG 3.29Å; L196-L200 PolarHBondContact O-N 3.27Å; L196-L203 HydrophobicContact CD1-CD1 3.77Å; L196-L341 HydrophobicContact CD2-CD1 3.76Å
197	H	97.2	Very high	94.8	Very high	33 Å²	33	43.1 Å²	43.1	15%	0.153	21%	0.208	C	C	.	.	H	α-helix	trans	-54.9	-44.4	-178.5	-177.5	-104	0	0	0	113.1	L193 K194 Y195 H199 L200 N310 V313	L193-H197 VanDerWaalsContact O-CB 3.26Å; L193-H197 WeakPolarHBondContact O-CB 3.4Å; L193-H197 PolarHBondContact O-N 3.42Å; K194-H197 WeakPolarHBondContact O-CB 3.07Å; K194-H197 PolarHBondContact O-N 2.81Å; Y195-H197 VanDerWaalsContact C-N 3.33Å; Y195-H197 PolarHBondContact O-N 3.32Å; H197-H199 VanDerWaalsContact C-N 3.26Å; H197-H199 PolarHBondContact O-N 3.22Å; H197-L200 WeakPolarHBondContact O-CB 3.39Å; H197-L200 WeakPolarHBondContact O-CG 3.26Å; H197-L200 PolarHBondContact O-N 3.33Å; H197-N310 PolarHBondContact CD2-OD1 2.64Å; H197-N310 PolarHBondContact NE2-OD1 3.12Å; H197-V313 HydrophobicContact CB-CG1 4.2Å; H197-V313 HydrophobicContact CB-CG2 4.09Å
198	I	96.1	Very high	94.7	Very high	81 Å²	81	43.9 Å²	43.9	42%	0.415	21%	0.211	S	C	.	.	H	α-helix	trans	-61	-37	-179.9	-70.3	162.2	0	0	0	111.7	K194 Y195 L196	K194-I198 HydrophobicContact CG-CD1 4.08Å; K194-I198 WeakPolarHBondContact O-CD1 3.38Å; K194-I198 VanDerWaalsContact O-CG1 3.29Å; K194-I198 WeakPolarHBondContact O-CG1 3.28Å; K194-I198 PolarHBondContact O-N 3.37Å; K194-I198 VanDerWaalsContact O-N 3.08Å; Y195-I198 PolarHBondContact O-N 3.16Å; L196-I198 VanDerWaalsContact C-N 3.33Å; L196-I198 PolarHBondContact O-N 3.29Å
199	H	95.4	Very high	94.6	Very high	37 Å²	37	42.7 Å²	42.7	17%	0.171	20%	0.204	C	C	.	.	H	α-helix	trans	-91.8	1.8	-177.1	-60.8	89.2	0	0	0	113.6	F53 Y195 L196 H197 S201 E202 L203	F53-H199 HydrophobicContact CE2-CB 3.73Å; F53-H199 AromaticContact CE2-CG 3.92Å; F53-H199 HydrophobicContact CZ-CB 3.62Å; F53-H199 AromaticContact CZ-CG 3.6Å; F53-H199 AromaticContact CZ-ND1 3.67Å; Y195-H199 AromaticContact CE2-CE1 3.63Å; Y195-H199 AromaticContact CZ-CE1 3.59Å; Y195-H199 PolarHBondContact O-ND1 3.49Å; L196-H199 PolarHBondContact O-N 3.26Å; L196-H199 VanDerWaalsContact O-N 3.12Å; H197-H199 VanDerWaalsContact C-N 3.26Å; H197-H199 PolarHBondContact O-N 3.22Å; H199-S201 PolarHBondContact O-N 2.96Å; H199-E202 IonicContact CD2-OE2 3.62Å; H199-E202 PolarHBondContact O-N 3.38Å; H199-L203 PolarHBondContact O-N 3.09Å
200	L	92	Very high	94.5	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.037	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.7	-178.4	-70.5	-178	0	0	0	114.6	R12 Y50 L196 H197 E202 V309	R12-L200 PolarHBondContact NH2-O 3.2Å; R12-L200 VanDerWaalsContact NH2-O 3.12Å; Y50-L200 HydrophobicContact CD1-CD2 4.21Å; Y50-L200 HydrophobicContact CE1-CD2 3.54Å; Y50-L200 HydrophobicContact CE2-CD2 3.93Å; Y50-L200 WeakPolarHBondContact OH-CD2 3.19Å; L196-L200 HydrophobicContact CD1-CD2 4.07Å; L196-L200 HydrophobicContact CG-CD2 4Å; L196-L200 WeakPolarHBondContact O-CG 3.29Å; L196-L200 PolarHBondContact O-N 3.27Å; H197-L200 WeakPolarHBondContact O-CB 3.39Å; H197-L200 WeakPolarHBondContact O-CG 3.26Å; H197-L200 PolarHBondContact O-N 3.33Å; L200-E202 VanDerWaalsContact C-N 3.33Å; L200-V309 HydrophobicContact CD1-CG1 4.46Å
201	S	90	Very high	94.5	Very high	61 Å²	61	46 Å²	46	43%	0.427	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-20.3	174.1	46.3	0	0	0	0	113.3	H199	H199-S201 PolarHBondContact O-N 2.96Å
202	E	90.1	Very high	94.6	Very high	138 Å²	138	46.1 Å²	46.1	65%	0.645	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-9.2	-177	-63.8	164.5	-155.1	0	0	111.9	H199 L200	H199-E202 IonicContact CD2-OE2 3.62Å; H199-E202 PolarHBondContact O-N 3.38Å; L200-E202 VanDerWaalsContact C-N 3.33Å
203	L	90.2	Very high	94.6	Very high	19 Å²	19	46.2 Å²	46.2	10%	0.099	23%	0.23	C	C	.	.	S	Bend	trans	-101.8	147.1	-178.9	-61.7	175.6	0	0	0	111.2	V23 Y50 F53 L196 H199	V23-L203 HydrophobicContact CG1-CD2 4.36Å; Y50-L203 HydrophobicContact CD1-CB 4.45Å; Y50-L203 HydrophobicContact CD1-CD1 3.89Å; Y50-L203 HydrophobicContact CE1-CB 4.21Å; Y50-L203 HydrophobicContact CE1-CD1 4.22Å; F53-L203 HydrophobicContact CB-CD1 3.86Å; F53-L203 HydrophobicContact CB-CD2 4.06Å; F53-L203 HydrophobicContact CD1-CD1 4.28Å; F53-L203 HydrophobicContact CD2-CD1 3.83Å; F53-L203 HydrophobicContact CD2-CD2 3.72Å; F53-L203 HydrophobicContact CD2-CG 4.24Å; F53-L203 HydrophobicContact CE2-CD1 4.41Å; F53-L203 HydrophobicContact CG-CD1 3.72Å; F53-L203 HydrophobicContact CG-CD2 4.19Å; L196-L203 HydrophobicContact CD1-CD1 3.77Å; H199-L203 PolarHBondContact O-N 3.09Å
204	P	91	Very high	94.5	Very high	12 Å²	12	49.5 Å²	49.5	8%	0.078	25%	0.253	C	S	.	.			trans	-54.1	144.6	170	-27.6	38.1	0	0	0	111.3	Y21 L43 P46 A49 P206	Y21-P204 VanDerWaalsContact CB-CG 3.48Å; Y21-P204 HydrophobicContact CD1-CB 3.65Å; Y21-P204 HydrophobicContact CD1-CG 3.52Å; Y21-P204 HydrophobicContact CD2-CB 4.49Å; Y21-P204 HydrophobicContact CE1-CB 4.12Å; Y21-P204 HydrophobicContact CE1-CG 4.44Å; Y21-P204 HydrophobicContact CG-CB 3.85Å; Y21-P204 HydrophobicContact CG-CG 3.63Å; L43-P204 HydrophobicContact CD1-CG 3.59Å; P46-P204 HydrophobicContact CB-CB 4.13Å; A49-P204 HydrophobicContact CB-CB 4.3Å; A49-P204 HydrophobicContact CB-CG 4.37Å; P204-P206 WeakPolarHBondContact O-CD 3.41Å
205	Y	91.4	Very high	94.3	Very high	89 Å²	89	49.2 Å²	49.2	35%	0.349	26%	0.257	S	S	.	.			trans	-79.9	111.9	-179.7	-175.7	-91.5	0	0	0	110.3	M209 S210	Y205-M209 HydrophobicContact CE1-CB 4.21Å; Y205-M209 HydrophobicContact CE2-CB 3.84Å; Y205-S210 PolarHBondContact OH-N 2.98Å; Y205-S210 VanDerWaalsContact OH-N 3.15Å
206	P	92.3	Very high	94.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.254	C	S	.	.			trans	-70.4	143.3	177.6	-21.2	37.4	0	0	0	111.9	D47 Y50 P204 F208 M209	D47-P206 WeakPolarHBondContact OD1-CA 3.42Å; Y50-P206 HydrophobicContact CD1-CG 4.1Å; Y50-P206 HydrophobicContact CD2-CG 4.33Å; Y50-P206 HydrophobicContact CE1-CG 3.61Å; Y50-P206 HydrophobicContact CE2-CG 3.89Å; Y50-P206 HydrophobicContact CG-CG 4.42Å; Y50-P206 VanDerWaalsContact CZ-CG 3.49Å; Y50-P206 VanDerWaalsContact OH-CD 3.23Å; Y50-P206 WeakPolarHBondContact OH-CD 3.47Å; P204-P206 WeakPolarHBondContact O-CD 3.41Å; P206-F208 HydrophobicContact CB-CD1 3.65Å; P206-F208 HydrophobicContact CB-CD2 4.07Å; P206-F208 HydrophobicContact CB-CE1 3.28Å; P206-F208 HydrophobicContact CB-CE2 3.7Å; P206-F208 HydrophobicContact CB-CG 4.04Å; P206-F208 HydrophobicContact CB-CZ 3.3Å; P206-F208 HydrophobicContact CG-CE1 4Å; P206-F208 HydrophobicContact CG-CE2 4.05Å; P206-F208 HydrophobicContact CG-CZ 3.59Å; P206-F208 PolarHBondContact O-N 2.76Å; P206-M209 HydrophobicContact CB-CG 4.19Å; P206-M209 HydrophobicContact CG-CG 4.2Å; P206-M209 WeakPolarHBondContact O-CB 3.34Å; P206-M209 PolarHBondContact O-N 3.24Å; P206-M209 VanDerWaalsContact O-N 3.08Å
207	S	93.4	Very high	93.7	Very high	57 Å²	57	54.3 Å²	54.3	40%	0.399	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-59	-32.3	178.2	79.3	0	0	0	0	112.7	D47 M209 S210	D47-S207 WeakPolarHBondContact OD1-CB 3.32Å; D47-S207 PolarHBondContact OD1-N 2.93Å; D47-S207 PolarHBondContact OD1-OG 2.91Å; D47-S207 PolarHBondContact OD2-OG 3.08Å; S207-M209 VanDerWaalsContact C-N 3.27Å; S207-M209 PolarHBondContact O-N 3.07Å; S207-S210 PolarHBondContact O-N 3.17Å; S207-S210 PolarHBondContact O-OG 2.96Å
208	F	93.8	Very high	93.6	Very high	16 Å²	16	53 Å²	53	7%	0.07	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-69.1	-22.2	179.5	60.2	-109.3	0	0	0	113.4	D47 Y50 P206 S210 K211 L305 F340 L341	D47-F208 HydrophobicContact CB-CD1 4.09Å; D47-F208 HydrophobicContact CB-CE1 4.05Å; D47-F208 WeakPolarHBondContact O-CE1 3.45Å; Y50-F208 HydrophobicContact CD2-CE2 4.2Å; Y50-F208 HydrophobicContact CD2-CZ 4.01Å; Y50-F208 HydrophobicContact CE2-CE2 4.04Å; Y50-F208 HydrophobicContact CE2-CZ 4.2Å; P206-F208 HydrophobicContact CB-CD1 3.65Å; P206-F208 HydrophobicContact CB-CD2 4.07Å; P206-F208 HydrophobicContact CB-CE1 3.28Å; P206-F208 HydrophobicContact CB-CE2 3.7Å; P206-F208 HydrophobicContact CB-CG 4.04Å; P206-F208 HydrophobicContact CB-CZ 3.3Å; P206-F208 HydrophobicContact CG-CE1 4Å; P206-F208 HydrophobicContact CG-CE2 4.05Å; P206-F208 HydrophobicContact CG-CZ 3.59Å; P206-F208 PolarHBondContact O-N 2.76Å; F208-S210 PolarHBondContact O-N 2.86Å; F208-K211 HydrophobicContact CB-CD 4.39Å; F208-K211 WeakPolarHBondContact O-CB 3.34Å; F208-K211 PolarHBondContact O-N 3.16Å; F208-L305 HydrophobicContact CD2-CD1 4.31Å; F208-L305 WeakPolarHBondContact O-CD1 3.45Å; F208-F340 HydrophobicContact CB-CE1 3.95Å; F208-F340 HydrophobicContact CB-CZ 4.08Å; F208-F340 AromaticContact CD2-CE1 3.75Å; F208-F340 HydrophobicContact CD2-CE1 3.75Å; F208-F340 HydrophobicContact CE2-CE1 4.45Å; F208-F340 AromaticContact CG-CE1 3.89Å; F208-F340 HydrophobicContact CG-CE1 3.89Å; F208-F340 HydrophobicContact CG-CZ 4.45Å; F208-L341 HydrophobicContact CD2-CD2 4.46Å; F208-L341 HydrophobicContact CE2-CD2 3.64Å; F208-L341 HydrophobicContact CZ-CD2 4.27Å
209	M	95.4	Very high	93.6	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-66.2	-26.6	-179.1	-72	-62.9	-78.4	0	0	112.5	Y50 Y205 P206 S207 L305 E306 V309 L341	Y50-M209 HydrophobicContact CE2-CE 4.27Å; Y50-M209 HydrophobicContact CE2-CG 4.04Å; Y50-M209 HydrophobicContact CE2-SD 3.81Å; Y205-M209 HydrophobicContact CE1-CB 4.21Å; Y205-M209 HydrophobicContact CE2-CB 3.84Å; P206-M209 HydrophobicContact CB-CG 4.19Å; P206-M209 HydrophobicContact CG-CG 4.2Å; P206-M209 WeakPolarHBondContact O-CB 3.34Å; P206-M209 PolarHBondContact O-N 3.24Å; P206-M209 VanDerWaalsContact O-N 3.08Å; S207-M209 VanDerWaalsContact C-N 3.27Å; S207-M209 PolarHBondContact O-N 3.07Å; M209-L305 HydrophobicContact SD-CB 4.34Å; M209-E306 HydrophobicContact CB-CB 4.46Å; M209-E306 HydrophobicContact CE-CB 3.99Å; M209-E306 PolarHBondContact O-N 3.4Å; M209-V309 HydrophobicContact CE-CB 4.42Å; M209-V309 HydrophobicContact CE-CG2 4.42Å; M209-L341 HydrophobicContact SD-CD2 4.34Å
210	S	96.3	Very high	93.5	Very high	67 Å²	67	51.4 Å²	51.4	47%	0.469	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-83.6	-8.2	173	34.9	0	0	0	0	114.6	Y205 S207 F208	Y205-S210 PolarHBondContact OH-N 2.98Å; Y205-S210 VanDerWaalsContact OH-N 3.15Å; S207-S210 PolarHBondContact O-N 3.17Å; S207-S210 PolarHBondContact O-OG 2.96Å; F208-S210 PolarHBondContact O-N 2.86Å
211	K	96.9	Very high	93.6	Very high	97 Å²	97	54.3 Å²	54.3	42%	0.422	30%	0.299	S	S	.	.	S	Bend	trans	-74.3	142.6	178.1	-65.9	-177.1	-179.2	-178.6	0	110.2	F208 V216 T304 L305	F208-K211 HydrophobicContact CB-CD 4.39Å; F208-K211 WeakPolarHBondContact O-CB 3.34Å; F208-K211 PolarHBondContact O-N 3.16Å; K211-V216 HydrophobicContact CB-CG1 3.73Å; K211-V216 HydrophobicContact CD-CG1 3.87Å; K211-V216 HydrophobicContact CG-CG1 4.45Å; K211-T304 VanDerWaalsContact O-CA 3.31Å; K211-T304 WeakPolarHBondContact O-CA 3.41Å; K211-L305 PolarHBondContact O-N 2.97Å
212	K	97.8	Very high	93.7	Very high	92 Å²	92	56.5 Å²	56.5	40%	0.4	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-74.1	155.5	174.4	-61.2	-178.4	167.6	-169.8	0	110.3	C214 D215 D302 D303	K212-C214 VanDerWaalsContact CB-SG 3.58Å; K212-C214 PolarHBondContact O-N 3.37Å; K212-D215 WeakPolarHBondContact CB-OD2 3.17Å; K212-D215 PolarHBondContact O-N 3.43Å; K212-D302 HydrophobicContact CD-CB 4.33Å; K212-D302 WeakPolarHBondContact CG-O 3.09Å; K212-D303 WeakPolarHBondContact CA-O 3.42Å
213	L	97.2	Very high	93.7	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.01	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-58	-36	176.7	-176.9	58.4	0	0	0	112.6	D215 V216 V218 M221 L301 D303 I308 V322 V332	L213-D215 PolarHBondContact O-N 3.43Å; L213-V216 HydrophobicContact CD1-CG2 4.34Å; L213-V216 PolarHBondContact O-N 3.47Å; L213-V218 HydrophobicContact CD1-CB 4.07Å; L213-V218 WeakPolarHBondContact CD1-O 3.08Å; L213-M221 HydrophobicContact CD1-CE 3.78Å; L213-M221 HydrophobicContact CD2-CE 3.72Å; L213-M221 HydrophobicContact CG-CE 3.69Å; L213-L301 WeakPolarHBondContact CB-O 3.22Å; L213-L301 HydrophobicContact CD2-CD2 4.43Å; L213-L301 HydrophobicContact CG-CD2 4.43Å; L213-L301 PolarHBondContact N-O 2.86Å; L213-D303 PolarHBondContact N-O 3.22Å; L213-I308 HydrophobicContact CB-CD1 3.75Å; L213-I308 HydrophobicContact CD1-CD1 4.01Å; L213-I308 HydrophobicContact CD2-CD1 3.85Å; L213-I308 HydrophobicContact CG-CD1 4.08Å; L213-V322 HydrophobicContact CD2-CG1 4.07Å; L213-V322 HydrophobicContact CD2-CG2 3.82Å; L213-V332 HydrophobicContact CD1-CG2 3.92Å; L213-V332 HydrophobicContact CD2-CG2 3.9Å
214	C	95.8	Very high	93.9	Very high	72 Å²	72	58.5 Å²	58.5	49%	0.486	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-63.2	-23.7	175	59.3	0	0	0	0	114.1	K212 L301	K212-C214 VanDerWaalsContact CB-SG 3.58Å; K212-C214 PolarHBondContact O-N 3.37Å; C214-L301 HydrophobicContact CB-CB 4.23Å; C214-L301 PolarHBondContact N-O 3.19Å; C214-L301 PolarHBondContact SG-O 2.8Å
215	D	95.4	Very high	94.2	Very high	108 Å²	108	59 Å²	59	58%	0.578	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-94.5	-1.2	-176	-54.2	-32.2	0	0	0	112.3	K212 L213	K212-D215 WeakPolarHBondContact CB-OD2 3.17Å; K212-D215 PolarHBondContact O-N 3.43Å; L213-D215 PolarHBondContact O-N 3.43Å
216	V	91.9	Very high	94.5	Very high	20 Å²	20	57.7 Å²	57.7	12%	0.121	33%	0.331	C	S	.	.	S	Bend	trans	-132.9	144.8	-176.5	-60.9	0	0	0	0	111.2	K211 L213 V218 L305 F340	K211-V216 HydrophobicContact CB-CG1 3.73Å; K211-V216 HydrophobicContact CD-CG1 3.87Å; K211-V216 HydrophobicContact CG-CG1 4.45Å; L213-V216 HydrophobicContact CD1-CG2 4.34Å; L213-V216 PolarHBondContact O-N 3.47Å; V216-V218 VanDerWaalsContact C-N 3.29Å; V216-V218 HydrophobicContact CB-CG2 4.16Å; V216-V218 HydrophobicContact CG2-CB 4.19Å; V216-V218 HydrophobicContact CG2-CG2 3.75Å; V216-V218 PolarHBondContact O-N 2.82Å; V216-L305 HydrophobicContact CG1-CD1 4.33Å; V216-L305 HydrophobicContact CG2-CD1 4.17Å; V216-L305 HydrophobicContact CG2-CD2 4.07Å; V216-L305 HydrophobicContact CG2-CG 4.16Å; V216-F340 HydrophobicContact CB-CE2 3.96Å; V216-F340 HydrophobicContact CB-CZ 4.15Å; V216-F340 HydrophobicContact CG1-CE2 4.18Å; V216-F340 HydrophobicContact CG1-CZ 3.92Å
217	N	88.9	Confident	94.8	Very high	132 Å²	132	58 Å²	58	71%	0.706	33%	0.333	S	S	*	.			trans	-85.9	69.2	178.3	-169.9	20	0	0	0	111.1
218	V	94.5	Very high	95	Very high	4 Å²	4	58 Å²	58	2%	0.024	33%	0.328	C	S	.	.			trans	-118.4	124.5	-179.7	-178.7	0	0	0	0	110.5	L213 V216 M221 L305 V332 D336 I337 F340	L213-V218 HydrophobicContact CD1-CB 4.07Å; L213-V218 WeakPolarHBondContact CD1-O 3.08Å; V216-V218 VanDerWaalsContact C-N 3.29Å; V216-V218 HydrophobicContact CB-CG2 4.16Å; V216-V218 HydrophobicContact CG2-CB 4.19Å; V216-V218 HydrophobicContact CG2-CG2 3.75Å; V216-V218 PolarHBondContact O-N 2.82Å; V218-M221 WeakPolarHBondContact O-CE 3.15Å; V218-L305 HydrophobicContact CG2-CD2 4.23Å; V218-V332 HydrophobicContact CG1-CG1 3.94Å; V218-D336 HydrophobicContact CG1-CB 4.14Å; V218-I337 HydrophobicContact CG1-CG1 4.46Å; V218-F340 HydrophobicContact CG2-CB 3.71Å; V218-F340 HydrophobicContact CG2-CD1 4.11Å; V218-F340 HydrophobicContact CG2-CD2 3.25Å; V218-F340 HydrophobicContact CG2-CE2 3.84Å; V218-F340 HydrophobicContact CG2-CG 3.4Å; V218-F340 VanDerWaalsContact CG2-CG 3.4Å; V218-F340 HydrophobicContact CG2-CZ 4.49Å
219	G	95	Very high	95.1	Very high	17 Å²	17	59.8 Å²	59.8	18%	0.175	34%	0.337	C	S	.	.	S	Bend	trans	90	-159.9	-178.8	0	0	0	0	0	113	I331	G219-I331 CarbonylContact C-O 3.59Å; G219-I331 WeakPolarHBondContact CA-O 3.45Å
220	S	94.9	Very high	95.1	Very high	68 Å²	68	65.2 Å²	65.2	48%	0.476	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-127.7	114.8	177.4	-58.8	0	0	0	0	109	G330 I331	S220-G330 CarbonylContact O-C 3.48Å; S220-G330 WeakPolarHBondContact O-CA 3.49Å; S220-I331 PolarHBondContact N-O 3.46Å; S220-I331 PolarHBondContact O-N 3.15Å
221	M	94.5	Very high	95.2	Very high	68 Å²	68	62.8 Å²	62.8	34%	0.335	35%	0.349	S	S	.	.			trans	-103.5	-1.2	-178.6	-55.3	-53.6	167.8	0	0	113.4	L213 V218 L301 V322 L329 V332	L213-M221 HydrophobicContact CD1-CE 3.78Å; L213-M221 HydrophobicContact CD2-CE 3.72Å; L213-M221 HydrophobicContact CG-CE 3.69Å; V218-M221 WeakPolarHBondContact O-CE 3.15Å; M221-L301 HydrophobicContact CE-CD2 4.34Å; M221-L301 HydrophobicContact SD-CD2 4.06Å; M221-V322 HydrophobicContact CE-CG2 4Å; M221-V322 HydrophobicContact SD-CB 4.31Å; M221-V322 HydrophobicContact SD-CG1 4.32Å; M221-V322 HydrophobicContact SD-CG2 3.96Å; M221-L329 CarbonylContact C-O 3.49Å; M221-L329 VanDerWaalsContact O-O 3.08Å; M221-V332 HydrophobicContact CE-CG2 4.13Å
222	T	91	Very high	95.2	Very high	107 Å²	107	60 Å²	60	66%	0.656	34%	0.341	S	S	*	.	S	Bend	trans	-131.4	152.7	-178.4	57.1	0	0	0	0	109.5	V224	T222-V224 PolarHBondContact O-N 2.93Å
223	N	89.9	Confident	95.2	Very high	163 Å²	163	55.7 Å²	55.7	87%	0.872	32%	0.322	S	S	*	.	S	Bend	trans	52.6	37.5	178.3	-56.3	-29.1	0	0	0	113.6	C225	N223-C225 PolarHBondContact O-N 3.23Å
224	V	95.5	Very high	95.2	Very high	36 Å²	36	57.9 Å²	57.9	22%	0.218	33%	0.332	C	S	.	.			trans	-68.1	115.3	176.6	-176	0	0	0	0	108.7	T222 V226 P249 V328 I331	T222-V224 PolarHBondContact O-N 2.93Å; V224-V226 HydrophobicContact CG1-CG1 4.13Å; V224-V226 PolarHBondContact O-N 3.31Å; V224-P249 HydrophobicContact CG1-CG 4.21Å; V224-V328 HydrophobicContact CG1-CG1 3.9Å; V224-I331 HydrophobicContact CG1-CD1 3.81Å; V224-I331 HydrophobicContact CG1-CG1 3.91Å
225	C	96.2	Very high	95.2	Very high	24 Å²	24	58.4 Å²	58.4	16%	0.162	33%	0.326	C	S	.	.			trans	-72.7	110.5	175.8	-171.1	0	0	0	0	109.6	N223 L248 P249	N223-C225 PolarHBondContact O-N 3.23Å; C225-L248 HydrophobicContact CB-CD2 3.91Å; C225-L248 VanDerWaalsContact SG-CD2 3.57Å; C225-P249 WeakPolarHBondContact O-CD 3.44Å
226	V	97.6	Very high	95.3	Very high	61 Å²	61	53.3 Å²	53.3	37%	0.37	30%	0.299	S	S	.	.			trans	-111.3	156.3	175.3	-57.4	0	0	0	0	110.1	V224 P249 V251 V328	V224-V226 HydrophobicContact CG1-CG1 4.13Å; V224-V226 PolarHBondContact O-N 3.31Å; V226-P249 WeakPolarHBondContact CA-O 3.25Å; V226-P249 HydrophobicContact CG1-CB 4.04Å; V226-P249 HydrophobicContact CG1-CG 4.23Å; V226-V251 HydrophobicContact CB-CG1 4.44Å; V226-V251 HydrophobicContact CG2-CG2 4.38Å; V226-V328 HydrophobicContact CG1-CB 4.14Å; V226-V328 HydrophobicContact CG1-CG1 3.9Å; V226-V328 HydrophobicContact CG1-CG2 4.39Å
227	V	98.2	Very high	95.6	Very high	6 Å²	6	52.3 Å²	52.3	4%	0.036	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	151.7	177	-64.1	0	0	0	0	111.2	C231 Y239 L248 P249 V250 V251	V227-C231 HydrophobicContact CB-CB 3.82Å; V227-C231 HydrophobicContact CG1-CB 4.41Å; V227-C231 HydrophobicContact CG2-CB 4.42Å; V227-Y239 HydrophobicContact CG1-CD2 3.7Å; V227-Y239 HydrophobicContact CG1-CE2 3.74Å; V227-L248 HydrophobicContact CG1-CB 4.29Å; V227-L248 HydrophobicContact CG1-CD1 3.93Å; V227-L248 HydrophobicContact CG1-CG 4.49Å; V227-L248 HydrophobicContact CG2-CB 4.02Å; V227-P249 PolarHBondContact N-O 3.01Å; V227-V250 HydrophobicContact CG2-CG2 4.05Å; V227-V250 CarbonylContact O-C 3.51Å; V227-V250 VanDerWaalsContact O-CA 3.28Å; V227-V250 WeakPolarHBondContact O-CA 3.15Å; V227-V251 PolarHBondContact O-N 3.42Å
228	N	97.8	Very high	96	Very high	56 Å²	56	48.1 Å²	48.1	30%	0.299	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	155.6	169.4	-174.5	-87.2	0	0	0	110.7	N230 C231 V251 D252	N228-N230 PolarHBondContact O-N 3.06Å; N228-N230 VanDerWaalsContact O-N 3.16Å; N228-N230 PolarHBondContact OD1-N 3.33Å; N228-C231 WeakPolarHBondContact O-CB 3.5Å; N228-C231 PolarHBondContact O-N 3.12Å; N228-V251 WeakPolarHBondContact CA-O 3.41Å; N228-D252 PolarHBondContact ND2-O 3.07Å
229	Q	95.8	Very high	96.1	Very high	55 Å²	55	51.4 Å²	51.4	26%	0.257	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-37.1	173.6	-69.2	-174.6	71.3	0	0	113.8	C231 V250 V251 V258 S281 Y283	Q229-C231 VanDerWaalsContact C-N 3.29Å; Q229-C231 PolarHBondContact O-N 3.33Å; Q229-V250 HydrophobicContact CB-CG1 4.31Å; Q229-V250 HydrophobicContact CG-CG1 3.67Å; Q229-V251 PolarHBondContact N-O 3.06Å; Q229-V258 HydrophobicContact CG-CG2 3.74Å; Q229-S281 WeakPolarHBondContact O-CB 3.24Å; Q229-Y283 WeakPolarHBondContact O-CB 3.38Å; Q229-Y283 PolarHBondContact O-N 3.1Å; Q229-Y283 VanDerWaalsContact OE1-CD2 3.24Å
230	N	96.8	Very high	96.2	Very high	114 Å²	114	50.7 Å²	50.7	61%	0.61	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	2.1	-179.7	-63.1	-23	0	0	0	113.7	N228 P232	N228-N230 PolarHBondContact O-N 3.06Å; N228-N230 VanDerWaalsContact O-N 3.16Å; N228-N230 PolarHBondContact OD1-N 3.33Å; N230-P232 WeakPolarHBondContact O-CD 3.23Å
231	C	97.9	Very high	96.2	Very high	17 Å²	17	49.3 Å²	49.3	12%	0.115	26%	0.261	C	S	.	.			trans	-59.2	125.1	176.6	-178.3	0	0	0	0	109.8	V227 N228 Q229 S281 V282	V227-C231 HydrophobicContact CB-CB 3.82Å; V227-C231 HydrophobicContact CG1-CB 4.41Å; V227-C231 HydrophobicContact CG2-CB 4.42Å; N228-C231 WeakPolarHBondContact O-CB 3.5Å; N228-C231 PolarHBondContact O-N 3.12Å; Q229-C231 VanDerWaalsContact C-N 3.29Å; Q229-C231 PolarHBondContact O-N 3.33Å; C231-S281 CarbonylContact O-C 3.56Å; C231-S281 WeakPolarHBondContact O-CA 3.4Å; C231-V282 HydrophobicContact CB-CG2 4.31Å; C231-V282 WeakPolarHBondContact O-CG2 3.46Å; C231-V282 PolarHBondContact O-N 3.35Å
232	P	97.3	Very high	96.3	Very high	39 Å²	39	51.6 Å²	51.6	25%	0.253	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-62.3	143.9	175.9	-25.6	36	0	0	0	112.1	N230 H234 K235 A236 I280	N230-P232 WeakPolarHBondContact O-CD 3.23Å; P232-H234 VanDerWaalsContact C-N 3.28Å; P232-H234 WeakPolarHBondContact CB-CD2 3.43Å; P232-H234 VanDerWaalsContact CB-NE2 3.35Å; P232-H234 WeakPolarHBondContact CB-NE2 3.45Å; P232-H234 PolarHBondContact O-N 3.48Å; P232-K235 HydrophobicContact CB-CG 4.49Å; P232-K235 WeakPolarHBondContact O-CB 3.37Å; P232-K235 PolarHBondContact O-N 3.08Å; P232-A236 PolarHBondContact O-N 2.83Å; P232-A236 VanDerWaalsContact O-N 3.14Å; P232-I280 WeakPolarHBondContact CA-O 3.27Å
233	V	97.2	Very high	96.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57	-41.3	179.9	167.1	0	0	0	0	111.7	K235 A236 L237 L269 L278 I280 A285	V233-K235 PolarHBondContact O-N 3.47Å; V233-A236 WeakPolarHBondContact O-CA 3.48Å; V233-A236 WeakPolarHBondContact O-CB 3.22Å; V233-A236 PolarHBondContact O-N 3.34Å; V233-L237 HydrophobicContact CG1-CD2 4.43Å; V233-L237 HydrophobicContact CG1-CG 4.18Å; V233-L237 WeakPolarHBondContact O-CG 3.26Å; V233-L237 PolarHBondContact O-N 2.96Å; V233-L269 HydrophobicContact CG1-CD1 3.9Å; V233-L278 HydrophobicContact CB-CB 4.45Å; V233-L278 WeakPolarHBondContact CB-O 3.46Å; V233-L278 HydrophobicContact CG1-CB 4.39Å; V233-L278 HydrophobicContact CG1-CD2 4.05Å; V233-L278 PolarHBondContact N-O 3.02Å; V233-L278 VanDerWaalsContact N-O 3.13Å; V233-I280 HydrophobicContact CB-CG1 4.46Å; V233-I280 HydrophobicContact CG2-CD1 4.44Å; V233-I280 HydrophobicContact CG2-CG1 3.86Å; V233-I280 WeakPolarHBondContact CG2-O 3.32Å; V233-I280 PolarHBondContact N-O 3.2Å; V233-A285 HydrophobicContact CG2-CB 3.58Å
234	H	96.4	Very high	96.5	Very high	48 Å²	48	46.5 Å²	46.5	22%	0.222	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-32.9	179.3	75	92.7	0	0	0	112.6	Y120 P232 Q238 L278 D279	Y120-H234 HydrophobicContact CD1-CB 3.89Å; Y120-H234 HydrophobicContact CE1-CB 3.98Å; P232-H234 VanDerWaalsContact C-N 3.28Å; P232-H234 WeakPolarHBondContact CB-CD2 3.43Å; P232-H234 VanDerWaalsContact CB-NE2 3.35Å; P232-H234 WeakPolarHBondContact CB-NE2 3.45Å; P232-H234 PolarHBondContact O-N 3.48Å; H234-Q238 PolarHBondContact O-N 3.34Å; H234-Q238 VanDerWaalsContact O-N 3.07Å; H234-L278 HydrophobicContact CB-CB 3.81Å; H234-L278 PolarHBondContact CD2-O 3.18Å; H234-L278 PolarHBondContact N-O 3.24Å; H234-D279 IonicContact CD2-OD1 3.53Å; H234-D279 IonicContact NE2-OD1 3.22Å
235	K	97.2	Very high	96.5	Very high	84 Å²	84	46.8 Å²	46.8	37%	0.365	25%	0.251	S	S	.	.	H	α-helix	trans	-70.7	-42.1	172.1	-73.4	-65.1	-174.5	-179.6	0	112	P232 V233 L237 Q238 Y239	P232-K235 HydrophobicContact CB-CG 4.49Å; P232-K235 WeakPolarHBondContact O-CB 3.37Å; P232-K235 PolarHBondContact O-N 3.08Å; V233-K235 PolarHBondContact O-N 3.47Å; K235-L237 VanDerWaalsContact C-N 3.28Å; K235-L237 PolarHBondContact O-N 2.94Å; K235-Q238 WeakPolarHBondContact O-CB 3.36Å; K235-Q238 PolarHBondContact O-N 3.04Å; K235-Q238 VanDerWaalsContact O-N 3.16Å; K235-Y239 WeakPolarHBondContact O-CD2 3.29Å; K235-Y239 PolarHBondContact O-N 3.31Å
236	A	97.8	Very high	96.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.1	-38.8	173.3	0	0	0	0	0	112.2	P232 V233 Y239 F240 L248 Y261 V282	P232-A236 PolarHBondContact O-N 2.83Å; P232-A236 VanDerWaalsContact O-N 3.14Å; V233-A236 WeakPolarHBondContact O-CA 3.48Å; V233-A236 WeakPolarHBondContact O-CB 3.22Å; V233-A236 PolarHBondContact O-N 3.34Å; A236-Y239 PolarHBondContact O-N 3.02Å; A236-F240 WeakPolarHBondContact O-CD2 3.33Å; A236-F240 PolarHBondContact O-N 3.21Å; A236-L248 HydrophobicContact CB-CD1 3.82Å; A236-Y261 HydrophobicContact CB-CD1 3.81Å; A236-Y261 HydrophobicContact CB-CE1 3.81Å; A236-V282 HydrophobicContact CB-CG2 3.92Å
237	L	97.5	Very high	96.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-42.3	173.6	-61.1	-165.6	0	0	0	112	I113 L116 V233 K235 Y239 F240 I241 V266 L278	I113-L237 HydrophobicContact CG1-CD2 4.12Å; I113-L237 HydrophobicContact CG2-CB 4.24Å; I113-L237 HydrophobicContact CG2-CD2 4.21Å; L116-L237 HydrophobicContact CB-CD1 3.69Å; L116-L237 HydrophobicContact CD1-CD1 3.97Å; V233-L237 HydrophobicContact CG1-CD2 4.43Å; V233-L237 HydrophobicContact CG1-CG 4.18Å; V233-L237 WeakPolarHBondContact O-CG 3.26Å; V233-L237 PolarHBondContact O-N 2.96Å; K235-L237 VanDerWaalsContact C-N 3.28Å; K235-L237 PolarHBondContact O-N 2.94Å; L237-Y239 VanDerWaalsContact C-N 3.35Å; L237-Y239 PolarHBondContact O-N 3.02Å; L237-F240 HydrophobicContact CD2-CD2 4.12Å; L237-F240 HydrophobicContact CD2-CE2 4.45Å; L237-F240 WeakPolarHBondContact O-CB 3.25Å; L237-F240 PolarHBondContact O-N 3.33Å; L237-I241 WeakPolarHBondContact O-CG1 3.47Å; L237-I241 PolarHBondContact O-N 3.48Å; L237-V266 HydrophobicContact CD2-CB 4.45Å; L237-V266 HydrophobicContact CD2-CG1 3.87Å; L237-V266 HydrophobicContact CD2-CG2 3.64Å; L237-L278 HydrophobicContact CD1-CD1 3.95Å
238	Q	96.9	Very high	96.4	Very high	44 Å²	44	43.4 Å²	43.4	21%	0.206	23%	0.231	C	C	.	.	H	α-helix	trans	-57.2	-47.3	173.5	-178.4	-179.3	-2	0	0	110.8	H234 K235 F240 I241 E242	H234-Q238 PolarHBondContact O-N 3.34Å; H234-Q238 VanDerWaalsContact O-N 3.07Å; K235-Q238 WeakPolarHBondContact O-CB 3.36Å; K235-Q238 PolarHBondContact O-N 3.04Å; K235-Q238 VanDerWaalsContact O-N 3.16Å; Q238-F240 VanDerWaalsContact C-N 3.34Å; Q238-F240 PolarHBondContact O-N 3.1Å; Q238-I241 PolarHBondContact O-N 2.83Å; Q238-E242 VanDerWaalsContact CG-CD 3.45Å; Q238-E242 HydrophobicContact CG-CG 4.14Å; Q238-E242 VanDerWaalsContact CG-OE1 3.32Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.45Å; Q238-E242 PolarHBondContact NE2-OE1 3.25Å; Q238-E242 PolarHBondContact O-N 2.83Å
239	Y	97.6	Very high	96.4	Very high	73 Å²	73	40.8 Å²	40.8	29%	0.286	22%	0.217	S	C	.	.	H	α-helix	trans	-61.8	-37.8	177.3	-64	-37.9	0	0	0	113.5	V227 K235 A236 L237 I241 H243 L248	V227-Y239 HydrophobicContact CG1-CD2 3.7Å; V227-Y239 HydrophobicContact CG1-CE2 3.74Å; K235-Y239 WeakPolarHBondContact O-CD2 3.29Å; K235-Y239 PolarHBondContact O-N 3.31Å; A236-Y239 PolarHBondContact O-N 3.02Å; L237-Y239 VanDerWaalsContact C-N 3.35Å; L237-Y239 PolarHBondContact O-N 3.02Å; Y239-I241 PolarHBondContact O-N 3.36Å; Y239-H243 AromaticContact CD1-CE1 3.69Å; Y239-H243 AromaticContact CD1-ND1 3.82Å; Y239-H243 WeakPolarHBondContact O-CB 3.4Å; Y239-H243 PolarHBondContact O-N 3.28Å; Y239-L248 HydrophobicContact CD2-CD1 4.26Å
240	F	97.4	Very high	96.5	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-27.8	174.2	-75.4	-34.8	0	0	0	114.5	I113 A236 L237 Q238 V245 L248 Y261 K263 V266	I113-F240 HydrophobicContact CD1-CD2 3.99Å; I113-F240 HydrophobicContact CG2-CB 4.36Å; A236-F240 WeakPolarHBondContact O-CD2 3.33Å; A236-F240 PolarHBondContact O-N 3.21Å; L237-F240 HydrophobicContact CD2-CD2 4.12Å; L237-F240 HydrophobicContact CD2-CE2 4.45Å; L237-F240 WeakPolarHBondContact O-CB 3.25Å; L237-F240 PolarHBondContact O-N 3.33Å; Q238-F240 VanDerWaalsContact C-N 3.34Å; Q238-F240 PolarHBondContact O-N 3.1Å; F240-V245 HydrophobicContact CD1-CG2 4.09Å; F240-V245 WeakPolarHBondContact CD1-O 3.42Å; F240-L248 HydrophobicContact CD1-CD1 4.41Å; F240-L248 HydrophobicContact CD1-CG 4.34Å; F240-L248 HydrophobicContact CE1-CD1 3.97Å; F240-L248 HydrophobicContact CE1-CG 3.76Å; F240-L248 HydrophobicContact CZ-CD1 4.13Å; F240-L248 HydrophobicContact CZ-CG 4.26Å; F240-Y261 AromaticContact CE2-CD1 3.91Å; F240-Y261 HydrophobicContact CE2-CD1 3.91Å; F240-Y261 AromaticContact CE2-CE1 3.83Å; F240-Y261 HydrophobicContact CE2-CE1 3.83Å; F240-Y261 AromaticContact CZ-CD1 3.85Å; F240-Y261 HydrophobicContact CZ-CD1 3.85Å; F240-Y261 HydrophobicContact CZ-CE1 4.24Å; F240-Y261 WeakPolarHBondContact CZ-O 3.43Å; F240-K263 HydrophobicContact CD1-CG 3.93Å; F240-K263 HydrophobicContact CD2-CG 4.02Å; F240-K263 HydrophobicContact CE1-CG 4.1Å; F240-K263 HydrophobicContact CE2-CG 4.17Å; F240-K263 HydrophobicContact CG-CG 3.92Å; F240-K263 HydrophobicContact CZ-CG 4.22Å; F240-K263 PolarHBondContact O-NZ 3.15Å; F240-V266 HydrophobicContact CD2-CG2 4.43Å; F240-V266 HydrophobicContact CE2-CG2 3.92Å
241	I	94.8	Very high	96.6	Very high	40 Å²	40	33.6 Å²	33.6	21%	0.205	18%	0.181	C	C	.	.	H	α-helix	trans	-87.6	-57.4	179.8	-64.3	168.1	0	0	0	109.2	I113 H117 L237 Q238 Y239 H243 G244	I113-I241 HydrophobicContact CG2-CD1 4.04Å; I113-I241 HydrophobicContact CG2-CG1 3.97Å; H117-I241 HydrophobicContact CB-CD1 3.46Å; H117-I241 VanDerWaalsContact CB-CD1 3.46Å; H117-I241 WeakPolarHBondContact CD2-CD1 3.22Å; L237-I241 WeakPolarHBondContact O-CG1 3.47Å; L237-I241 PolarHBondContact O-N 3.48Å; Q238-I241 PolarHBondContact O-N 2.83Å; Y239-I241 PolarHBondContact O-N 3.36Å; I241-H243 PolarHBondContact O-N 3.15Å; I241-G244 PolarHBondContact O-N 2.75Å
242	E	95	Very high	96.5	Very high	116 Å²	116	34.6 Å²	34.6	54%	0.542	19%	0.185	S	C	.	.	H	α-helix	trans	-64.4	-42.5	-173.4	-69.8	178.3	170	0	0	112.9	Q238	Q238-E242 VanDerWaalsContact CG-CD 3.45Å; Q238-E242 HydrophobicContact CG-CG 4.14Å; Q238-E242 VanDerWaalsContact CG-OE1 3.32Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.45Å; Q238-E242 PolarHBondContact NE2-OE1 3.25Å; Q238-E242 PolarHBondContact O-N 2.83Å
243	H	94.1	Very high	96.4	Very high	103 Å²	103	41.1 Å²	41.1	48%	0.477	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-4.4	-177.5	-59	76.1	0	0	0	112.1	Y239 I241 V245	Y239-H243 AromaticContact CD1-CE1 3.69Å; Y239-H243 AromaticContact CD1-ND1 3.82Å; Y239-H243 WeakPolarHBondContact O-CB 3.4Å; Y239-H243 PolarHBondContact O-N 3.28Å; I241-H243 PolarHBondContact O-N 3.15Å; H243-V245 HydrophobicContact CB-CG1 4.02Å; H243-V245 HydrophobicContact CB-CG2 4.2Å; H243-V245 PolarHBondContact O-N 3.49Å
244	G	91.9	Very high	96.3	Very high	59 Å²	59	47.2 Å²	47.2	61%	0.608	25%	0.245	S	C	*	.			trans	60.1	15	-176.9	0	0	0	0	0	114.4	I241	I241-G244 PolarHBondContact O-N 2.75Å
245	V	94.6	Very high	96.3	Very high	43 Å²	43	46.4 Å²	46.4	26%	0.261	25%	0.25	S	C	.	.			trans	-79.1	160.1	-179	-62.3	0	0	0	0	111	F240 H243 L248 K263	F240-V245 HydrophobicContact CD1-CG2 4.09Å; F240-V245 WeakPolarHBondContact CD1-O 3.42Å; H243-V245 HydrophobicContact CB-CG1 4.02Å; H243-V245 HydrophobicContact CB-CG2 4.2Å; H243-V245 PolarHBondContact O-N 3.49Å; V245-L248 HydrophobicContact CG2-CD2 3.69Å; V245-L248 HydrophobicContact CG2-CG 4.49Å; V245-K263 WeakPolarHBondContact O-CE 3.48Å; V245-K263 PolarHBondContact O-NZ 3.1Å; V245-K263 VanDerWaalsContact O-NZ 3.09Å
246	S	95	Very high	96.3	Very high	19 Å²	19	44.7 Å²	44.7	13%	0.133	24%	0.243	C	C	.	.	S	Bend	trans	-117.8	-2.9	-177.3	53.3	0	0	0	0	114.5	K263 R319	S246-K263 PolarHBondContact O-N 3.03Å; S246-R319 VanDerWaalsContact C-NH2 3.29Å; S246-R319 PolarHBondContact O-NH2 2.86Å; S246-R319 VanDerWaalsContact OG-CZ 3.27Å; S246-R319 PolarHBondContact OG-NH1 3.21Å; S246-R319 PolarHBondContact OG-NH2 3.22Å
247	A	97.5	Very high	96.3	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	157	166.4	0	0	0	0	0	109.7	I260 Y261 A262 R319	A247-I260 HydrophobicContact CB-CD1 3.78Å; A247-I260 HydrophobicContact CB-CG1 3.86Å; A247-Y261 CarbonylContact C-O 3.54Å; A247-Y261 WeakPolarHBondContact CA-O 3.35Å; A247-A262 HydrophobicContact CB-CB 3.83Å; A247-R319 VanDerWaalsContact CB-NE 3.28Å
248	L	98.1	Very high	96.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	114.3	-178.6	-61.2	166.8	0	0	0	107	C225 V227 A236 Y239 F240 V245 V250 I260 Y261	C225-L248 HydrophobicContact CB-CD2 3.91Å; C225-L248 VanDerWaalsContact SG-CD2 3.57Å; V227-L248 HydrophobicContact CG1-CB 4.29Å; V227-L248 HydrophobicContact CG1-CD1 3.93Å; V227-L248 HydrophobicContact CG1-CG 4.49Å; V227-L248 HydrophobicContact CG2-CB 4.02Å; A236-L248 HydrophobicContact CB-CD1 3.82Å; Y239-L248 HydrophobicContact CD2-CD1 4.26Å; F240-L248 HydrophobicContact CD1-CD1 4.41Å; F240-L248 HydrophobicContact CD1-CG 4.34Å; F240-L248 HydrophobicContact CE1-CD1 3.97Å; F240-L248 HydrophobicContact CE1-CG 3.76Å; F240-L248 HydrophobicContact CZ-CD1 4.13Å; F240-L248 HydrophobicContact CZ-CG 4.26Å; V245-L248 HydrophobicContact CG2-CD2 3.69Å; V245-L248 HydrophobicContact CG2-CG 4.49Å; L248-V250 PolarHBondContact O-N 2.93Å; L248-I260 CarbonylContact O-C 3.49Å; L248-Y261 PolarHBondContact N-O 3.46Å; L248-Y261 PolarHBondContact O-N 3.31Å
249	P	98.3	Very high	96.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	134.7	168.1	-21.8	34.2	0	0	0	109.5	V224 C225 V226 V227 L257 V321 V328 I331	V224-P249 HydrophobicContact CG1-CG 4.21Å; C225-P249 WeakPolarHBondContact O-CD 3.44Å; V226-P249 WeakPolarHBondContact CA-O 3.25Å; V226-P249 HydrophobicContact CG1-CB 4.04Å; V226-P249 HydrophobicContact CG1-CG 4.23Å; V227-P249 PolarHBondContact N-O 3.01Å; P249-L257 HydrophobicContact CB-CD1 3.78Å; P249-V321 HydrophobicContact CB-CG1 4.39Å; P249-V321 HydrophobicContact CG-CG1 4.25Å; P249-V321 HydrophobicContact CG-CG2 4.23Å; P249-V328 HydrophobicContact CB-CG1 4.21Å; P249-V328 HydrophobicContact CB-CG2 3.9Å; P249-V328 HydrophobicContact CG-CG1 4.1Å; P249-I331 HydrophobicContact CG-CD1 3.74Å; P249-I331 HydrophobicContact CG-CG1 4.22Å
250	V	98.2	Very high	96.2	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.8	179.3	-173.5	0	0	0	0	107.7	V227 Q229 L248 V258 D259 V282 L286	V227-V250 HydrophobicContact CG2-CG2 4.05Å; V227-V250 CarbonylContact O-C 3.51Å; V227-V250 VanDerWaalsContact O-CA 3.28Å; V227-V250 WeakPolarHBondContact O-CA 3.15Å; Q229-V250 HydrophobicContact CB-CG1 4.31Å; Q229-V250 HydrophobicContact CG-CG1 3.67Å; L248-V250 PolarHBondContact O-N 2.93Å; V250-V258 HydrophobicContact CB-CG2 4.32Å; V250-V258 HydrophobicContact CG1-CG2 4Å; V250-V258 VanDerWaalsContact O-CG2 3.26Å; V250-V258 WeakPolarHBondContact O-CG2 3.23Å; V250-V258 PolarHBondContact O-N 3.07Å; V250-D259 HydrophobicContact CB-CB 4.04Å; V250-D259 HydrophobicContact CG2-CB 4.27Å; V250-D259 PolarHBondContact N-O 3.33Å; V250-D259 PolarHBondContact O-N 3.03Å; V250-V282 HydrophobicContact CG2-CG1 3.73Å; V250-L286 HydrophobicContact CG2-CD1 4.34Å
251	V	98	Very high	96.1	Very high	16 Å²	16	44 Å²	44	10%	0.097	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	155.4	179.6	-60.7	0	0	0	0	111.8	V226 V227 N228 Q229 Q256 V328	V226-V251 HydrophobicContact CB-CG1 4.44Å; V226-V251 HydrophobicContact CG2-CG2 4.38Å; V227-V251 PolarHBondContact O-N 3.42Å; N228-V251 WeakPolarHBondContact CA-O 3.41Å; Q229-V251 PolarHBondContact N-O 3.06Å; V251-Q256 CarbonylContact C-O 3.51Å; V251-Q256 WeakPolarHBondContact CA-O 3.31Å; V251-Q256 WeakPolarHBondContact CB-O 3.34Å; V251-V328 HydrophobicContact CG1-CG2 3.99Å
252	D	96.8	Very high	96.2	Very high	39 Å²	39	43 Å²	43	21%	0.209	25%	0.245	C	C	.	.			trans	-83	-163	169.8	66	14.9	0	0	0	112.4	N228 D254 G255 Q256 V258	N228-D252 PolarHBondContact ND2-O 3.07Å; D252-D254 VanDerWaalsContact C-N 3.34Å; D252-D254 WeakPolarHBondContact OD1-CA 3.28Å; D252-D254 PolarHBondContact OD1-N 3.43Å; D252-G255 PolarHBondContact OD1-N 3.1Å; D252-G255 VanDerWaalsContact OD1-N 3.1Å; D252-Q256 PolarHBondContact N-O 2.89Å; D252-Q256 WeakPolarHBondContact OD1-CB 3.45Å; D252-Q256 PolarHBondContact OD1-N 2.89Å; D252-Q256 WeakPolarHBondContact OD2-CB 3.35Å; D252-V258 HydrophobicContact CB-CG1 3.96Å
253	Q	94.6	Very high	96.2	Very high	175 Å²	175	39 Å²	39	82%	0.818	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-24.9	-179.6	-61.3	178.5	11.7	0	0	112.7	G255	Q253-G255 VanDerWaalsContact C-N 3.28Å
254	D	95.6	Very high	96.1	Very high	128 Å²	128	37.9 Å²	37.9	68%	0.684	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	1.7	179.3	-62.3	-46.3	0	0	0	112.2	D252 Q256	D252-D254 VanDerWaalsContact C-N 3.34Å; D252-D254 WeakPolarHBondContact OD1-CA 3.28Å; D252-D254 PolarHBondContact OD1-N 3.43Å; D254-Q256 VanDerWaalsContact C-N 3.31Å; D254-Q256 HydrophobicContact CB-CG 4.05Å
255	G	95.1	Very high	96.1	Very high	32 Å²	32	35.4 Å²	35.4	33%	0.33	19%	0.192	S	C	.	.	S	Bend	trans	76.7	17.5	-178.1	0	0	0	0	0	113.5	D252 Q253	D252-G255 PolarHBondContact OD1-N 3.1Å; D252-G255 VanDerWaalsContact OD1-N 3.1Å; Q253-G255 VanDerWaalsContact C-N 3.28Å
256	Q	97.6	Very high	96.1	Very high	47 Å²	47	33.3 Å²	33.3	22%	0.22	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-84.8	138	179.7	-60.6	-63.4	-26.7	0	0	110.4	V251 D252 D254 V258 D325 N326	V251-Q256 CarbonylContact C-O 3.51Å; V251-Q256 WeakPolarHBondContact CA-O 3.31Å; V251-Q256 WeakPolarHBondContact CB-O 3.34Å; D252-Q256 PolarHBondContact N-O 2.89Å; D252-Q256 WeakPolarHBondContact OD1-CB 3.45Å; D252-Q256 PolarHBondContact OD1-N 2.89Å; D252-Q256 WeakPolarHBondContact OD2-CB 3.35Å; D254-Q256 VanDerWaalsContact C-N 3.31Å; D254-Q256 HydrophobicContact CB-CG 4.05Å; Q256-V258 PolarHBondContact O-N 2.95Å; Q256-D325 PolarHBondContact OE1-O 3.21Å; Q256-D325 VanDerWaalsContact OE1-O 3.06Å; Q256-N326 VanDerWaalsContact OE1-C 3.27Å; Q256-N326 VanDerWaalsContact OE1-CB 3.22Å; Q256-N326 PolarHBondContact OE1-ND2 2.75Å; Q256-N326 PolarHBondContact OE1-O 2.88Å
257	L	98	Very high	95.9	Very high	10 Å²	10	32.6 Å²	32.6	5%	0.052	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	125.8	175.9	179.9	67.3	0	0	0	110.2	P249 D259 V296 T298 V321 V323 N326 V328	P249-L257 HydrophobicContact CB-CD1 3.78Å; L257-D259 VanDerWaalsContact CD1-O 3.29Å; L257-D259 WeakPolarHBondContact CD1-O 3.47Å; L257-V296 HydrophobicContact CD1-CG2 4.32Å; L257-V296 HydrophobicContact CD2-CB 4.01Å; L257-V296 HydrophobicContact CD2-CG1 3.97Å; L257-V296 HydrophobicContact CD2-CG2 4.32Å; L257-V296 HydrophobicContact CG-CB 4.43Å; L257-V296 HydrophobicContact CG-CG2 4.21Å; L257-T298 HydrophobicContact CD2-CG2 3.62Å; L257-V321 HydrophobicContact CD1-CG1 4.32Å; L257-V321 HydrophobicContact CD2-CB 3.93Å; L257-V321 HydrophobicContact CD2-CG1 3.79Å; L257-V321 HydrophobicContact CD2-CG2 4.43Å; L257-V323 HydrophobicContact CD2-CG1 3.7Å; L257-N326 WeakPolarHBondContact CB-O 3.31Å; L257-N326 PolarHBondContact N-ND2 3.01Å; L257-N326 PolarHBondContact N-O 3Å; L257-N326 PolarHBondContact O-ND2 2.94Å; L257-V328 HydrophobicContact CB-CG2 3.98Å; L257-V328 HydrophobicContact CD1-CG2 3.84Å; L257-V328 HydrophobicContact CG-CG2 4.37Å
258	V	95.8	Very high	95.5	Very high	54 Å²	54	33.4 Å²	33.4	33%	0.327	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	-32.1	179.7	-66	0	0	0	0	113.4	Q229 V250 D252 Q256	Q229-V258 HydrophobicContact CG-CG2 3.74Å; V250-V258 HydrophobicContact CB-CG2 4.32Å; V250-V258 HydrophobicContact CG1-CG2 4Å; V250-V258 VanDerWaalsContact O-CG2 3.26Å; V250-V258 WeakPolarHBondContact O-CG2 3.23Å; V250-V258 PolarHBondContact O-N 3.07Å; D252-V258 HydrophobicContact CB-CG1 3.96Å; Q256-V258 PolarHBondContact O-N 2.95Å
259	D	96.2	Very high	95.1	Very high	18 Å²	18	33.6 Å²	33.6	10%	0.096	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	-171.5	176.6	-149.1	-41.7	0	0	0	110.4	V250 L257 L286 R289 F293	V250-D259 HydrophobicContact CB-CB 4.04Å; V250-D259 HydrophobicContact CG2-CB 4.27Å; V250-D259 PolarHBondContact N-O 3.33Å; V250-D259 PolarHBondContact O-N 3.03Å; L257-D259 VanDerWaalsContact CD1-O 3.29Å; L257-D259 WeakPolarHBondContact CD1-O 3.47Å; D259-L286 HydrophobicContact CB-CD1 4.04Å; D259-R289 IonicContact OD1-CZ 3.95Å; D259-R289 IonicContact OD1-NH1 3.22Å; D259-R289 IonicContact OD1-NH2 3.59Å; D259-R289 PolarHBondContact OD1-NH2 3.47Å; D259-F293 HydrophobicContact CB-CE1 4.31Å; D259-F293 HydrophobicContact CB-CZ 4.42Å; D259-F293 VanDerWaalsContact CG-CE1 3.43Å; D259-F293 WeakPolarHBondContact OD1-CE1 3.4Å; D259-F293 WeakPolarHBondContact OD1-CZ 3.45Å; D259-F293 WeakPolarHBondContact OD2-CE1 3.05Å
260	I	97	Very high	94.6	Very high	23 Å²	23	33.9 Å²	33.9	12%	0.118	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	125	174.4	-174	169.8	0	0	0	109.9	A247 L248 R289 V296 R319 V321	A247-I260 HydrophobicContact CB-CD1 3.78Å; A247-I260 HydrophobicContact CB-CG1 3.86Å; L248-I260 CarbonylContact O-C 3.49Å; I260-R289 PolarHBondContact O-NH2 3.05Å; I260-V296 HydrophobicContact CB-CG1 4.19Å; I260-V296 HydrophobicContact CB-CG2 4.28Å; I260-V296 HydrophobicContact CG2-CG1 4.12Å; I260-V296 HydrophobicContact CG2-CG2 4.21Å; I260-R319 HydrophobicContact CD1-CG 4Å; I260-V321 HydrophobicContact CD1-CG2 3.98Å
261	Y	97	Very high	93.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	112.4	174.3	-170	-115.5	0	0	0	110.2	A236 F240 A247 L248 D265 V266 V282 A285 L286	A236-Y261 HydrophobicContact CB-CD1 3.81Å; A236-Y261 HydrophobicContact CB-CE1 3.81Å; F240-Y261 AromaticContact CE2-CD1 3.91Å; F240-Y261 HydrophobicContact CE2-CD1 3.91Å; F240-Y261 AromaticContact CE2-CE1 3.83Å; F240-Y261 HydrophobicContact CE2-CE1 3.83Å; F240-Y261 AromaticContact CZ-CD1 3.85Å; F240-Y261 HydrophobicContact CZ-CD1 3.85Å; F240-Y261 HydrophobicContact CZ-CE1 4.24Å; F240-Y261 WeakPolarHBondContact CZ-O 3.43Å; A247-Y261 CarbonylContact C-O 3.54Å; A247-Y261 WeakPolarHBondContact CA-O 3.35Å; L248-Y261 PolarHBondContact N-O 3.46Å; L248-Y261 PolarHBondContact O-N 3.31Å; Y261-D265 HydrophobicContact CD2-CB 3.75Å; Y261-D265 HydrophobicContact CE2-CB 3.49Å; Y261-D265 VanDerWaalsContact CE2-CB 3.49Å; Y261-V266 HydrophobicContact CE1-CG2 4.18Å; Y261-V282 HydrophobicContact CD1-CG2 4.12Å; Y261-V282 HydrophobicContact CD2-CG1 3.97Å; Y261-V282 HydrophobicContact CE1-CG2 4.46Å; Y261-V282 HydrophobicContact CG-CG1 3.81Å; Y261-V282 HydrophobicContact CG-CG2 4.2Å; Y261-A285 HydrophobicContact CE2-CB 4.06Å; Y261-L286 HydrophobicContact CD2-CD1 4.42Å; Y261-L286 HydrophobicContact CD2-CD2 3.85Å; Y261-L286 HydrophobicContact CD2-CG 3.97Å
262	A	96.1	Very high	93.3	Very high	19 Å²	19	37 Å²	37	16%	0.157	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	159.5	-178.2	0	0	0	0	0	112.2	A247 F264 D265	A247-A262 HydrophobicContact CB-CB 3.83Å; A262-F264 HydrophobicContact CB-CB 4.44Å; A262-F264 PolarHBondContact O-N 2.95Å; A262-D265 PolarHBondContact N-OD2 2.6Å; A262-D265 WeakPolarHBondContact O-CB 3.33Å; A262-D265 PolarHBondContact O-N 2.87Å
263	K	95.1	Very high	92.6	Very high	31 Å²	31	42.5 Å²	42.5	14%	0.135	22%	0.222	C	C	.	.	H	α-helix	trans	-51.8	-31.2	168.4	-70.4	-172.6	165.6	165.9	0	111.8	I109 I113 F240 V245 S246 D265 V266	I109-K263 WeakPolarHBondContact CG2-O 3.4Å; I113-K263 HydrophobicContact CD1-CB 3.78Å; I113-K263 HydrophobicContact CD1-CD 3.75Å; I113-K263 HydrophobicContact CD1-CG 3.44Å; I113-K263 VanDerWaalsContact CD1-CG 3.44Å; F240-K263 HydrophobicContact CD1-CG 3.93Å; F240-K263 HydrophobicContact CD2-CG 4.02Å; F240-K263 HydrophobicContact CE1-CG 4.1Å; F240-K263 HydrophobicContact CE2-CG 4.17Å; F240-K263 HydrophobicContact CG-CG 3.92Å; F240-K263 HydrophobicContact CZ-CG 4.22Å; F240-K263 PolarHBondContact O-NZ 3.15Å; V245-K263 WeakPolarHBondContact O-CE 3.48Å; V245-K263 PolarHBondContact O-NZ 3.1Å; V245-K263 VanDerWaalsContact O-NZ 3.09Å; S246-K263 PolarHBondContact O-N 3.03Å; K263-D265 VanDerWaalsContact C-N 3.28Å; K263-D265 PolarHBondContact O-N 2.86Å; K263-V266 WeakPolarHBondContact O-CB 3Å; K263-V266 PolarHBondContact O-N 3.33Å
264	F	90.9	Very high	92.2	Very high	80 Å²	80	36.8 Å²	36.8	35%	0.351	20%	0.199	S	C	.	.	H	α-helix	trans	-61.3	-34.6	175.7	175.9	-119.4	0	0	0	113.2	R91 I109 A262 V266 I267	R91-F264 HydrophobicContact CG-CD2 3.9Å; R91-F264 HydrophobicContact CG-CE2 3.85Å; I109-F264 HydrophobicContact CD1-CD2 3.98Å; A262-F264 HydrophobicContact CB-CB 4.44Å; A262-F264 PolarHBondContact O-N 2.95Å; F264-V266 VanDerWaalsContact C-N 3.28Å; F264-V266 PolarHBondContact O-N 3.35Å; F264-I267 HydrophobicContact CD2-CG2 4.22Å; F264-I267 HydrophobicContact CE2-CG2 4.02Å; F264-I267 WeakPolarHBondContact O-CG2 3.12Å; F264-I267 PolarHBondContact O-N 3.32Å
265	D	93	Very high	91.8	Very high	6 Å²	6	31 Å²	31	3%	0.032	17%	0.167	C	C	.	.	H	α-helix	trans	-69	-29.3	-178.4	-61.3	-47.5	0	0	0	112.1	Y261 A262 K263 I267 N268 L286 R289	Y261-D265 HydrophobicContact CD2-CB 3.75Å; Y261-D265 HydrophobicContact CE2-CB 3.49Å; Y261-D265 VanDerWaalsContact CE2-CB 3.49Å; A262-D265 PolarHBondContact N-OD2 2.6Å; A262-D265 WeakPolarHBondContact O-CB 3.33Å; A262-D265 PolarHBondContact O-N 2.87Å; K263-D265 VanDerWaalsContact C-N 3.28Å; K263-D265 PolarHBondContact O-N 2.86Å; D265-I267 PolarHBondContact O-N 2.97Å; D265-I267 VanDerWaalsContact O-N 3.16Å; D265-N268 WeakPolarHBondContact O-CB 3.12Å; D265-N268 PolarHBondContact O-N 2.79Å; D265-N268 PolarHBondContact O-ND2 3.46Å; D265-L286 HydrophobicContact CB-CD2 4.35Å; D265-R289 WeakPolarHBondContact OD1-CD 3.38Å; D265-R289 IonicContact OD1-CZ 2.74Å; D265-R289 IonicContact OD1-NE 3.56Å; D265-R289 PolarHBondContact OD1-NE 3.1Å; D265-R289 IonicContact OD2-NE 2.73Å; D265-R289 IonicContact OD2-NH2 3.77Å
266	V	94.7	Very high	91.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.2	-31.3	177.7	-173.7	0	0	0	0	112	I109 F112 I113 L116 L237 F240 Y261 K263 F264 N268 L269	I109-V266 HydrophobicContact CG2-CB 4.15Å; F112-V266 HydrophobicContact CD1-CG1 4.08Å; F112-V266 HydrophobicContact CE1-CG1 4.44Å; I113-V266 HydrophobicContact CD1-CG2 4.13Å; I113-V266 HydrophobicContact CG1-CB 4.23Å; I113-V266 HydrophobicContact CG1-CG1 3.88Å; I113-V266 HydrophobicContact CG1-CG2 4.08Å; L116-V266 HydrophobicContact CD1-CG1 3.92Å; L237-V266 HydrophobicContact CD2-CB 4.45Å; L237-V266 HydrophobicContact CD2-CG1 3.87Å; L237-V266 HydrophobicContact CD2-CG2 3.64Å; F240-V266 HydrophobicContact CD2-CG2 4.43Å; F240-V266 HydrophobicContact CE2-CG2 3.92Å; Y261-V266 HydrophobicContact CE1-CG2 4.18Å; K263-V266 WeakPolarHBondContact O-CB 3Å; K263-V266 PolarHBondContact O-N 3.33Å; F264-V266 VanDerWaalsContact C-N 3.28Å; F264-V266 PolarHBondContact O-N 3.35Å; V266-N268 PolarHBondContact O-N 3.42Å; V266-L269 HydrophobicContact CG1-CD1 4.01Å; V266-L269 WeakPolarHBondContact O-CB 3.37Å; V266-L269 WeakPolarHBondContact O-CG 3.49Å; V266-L269 PolarHBondContact O-N 2.93Å; V266-L269 VanDerWaalsContact O-N 3.13Å
267	I	91.4	Very high	91.2	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-64.6	-23.9	179.9	-149.4	-176.1	0	0	0	112.3	L85 V86 I109 F264 D265 L269 A270 A271	L85-I267 HydrophobicContact CB-CD1 4.13Å; V86-I267 HydrophobicContact CG2-CB 4.42Å; V86-I267 HydrophobicContact CG2-CD1 3.79Å; V86-I267 HydrophobicContact CG2-CG1 3.63Å; V86-I267 HydrophobicContact CG2-CG2 4.24Å; V86-I267 WeakPolarHBondContact CG2-O 3.32Å; I109-I267 HydrophobicContact CD1-CB 4.07Å; I109-I267 HydrophobicContact CD1-CD1 4.21Å; I109-I267 HydrophobicContact CD1-CG2 4.48Å; I109-I267 HydrophobicContact CG1-CB 4.24Å; I109-I267 HydrophobicContact CG1-CD1 4.05Å; I109-I267 HydrophobicContact CG1-CG1 4.27Å; I109-I267 HydrophobicContact CG2-CB 4.26Å; F264-I267 HydrophobicContact CD2-CG2 4.22Å; F264-I267 HydrophobicContact CE2-CG2 4.02Å; F264-I267 WeakPolarHBondContact O-CG2 3.12Å; F264-I267 PolarHBondContact O-N 3.32Å; D265-I267 PolarHBondContact O-N 2.97Å; D265-I267 VanDerWaalsContact O-N 3.16Å; I267-L269 PolarHBondContact O-N 3.33Å; I267-A270 WeakPolarHBondContact O-CB 3.36Å; I267-A270 PolarHBondContact O-N 2.88Å; I267-A270 VanDerWaalsContact O-N 3.11Å; I267-A271 PolarHBondContact O-N 3.21Å
268	N	88.6	Confident	91	Very high	17 Å²	17	33.6 Å²	33.6	9%	0.091	17%	0.173	C	C	.	.	H	α-helix	trans	-69.5	-22.3	179.2	-60	-37.4	0	0	0	112	D265 V266 A270 A271 T272 Y288	D265-N268 WeakPolarHBondContact O-CB 3.12Å; D265-N268 PolarHBondContact O-N 2.79Å; D265-N268 PolarHBondContact O-ND2 3.46Å; V266-N268 PolarHBondContact O-N 3.42Å; N268-A270 PolarHBondContact O-N 3.27Å; N268-A271 WeakPolarHBondContact O-CB 3.15Å; N268-A271 PolarHBondContact O-N 2.92Å; N268-A271 VanDerWaalsContact O-N 3.15Å; N268-T272 PolarHBondContact O-N 3.04Å; N268-T272 PolarHBondContact O-OG1 2.99Å; N268-Y288 HydrophobicContact CB-CD1 3.79Å; N268-Y288 HydrophobicContact CB-CE1 4.24Å; N268-Y288 HydrophobicContact CB-CG 4.17Å; N268-Y288 WeakPolarHBondContact OD1-CE1 3.08Å
269	L	90.2	Very high	91	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-33.1	172.1	-55.5	174.8	0	0	0	111.3	F112 L116 V233 V266 I267 R273 T274 Y275 L278 I280	F112-L269 HydrophobicContact CE1-CB 4.48Å; L116-L269 HydrophobicContact CD1-CD1 4.24Å; V233-L269 HydrophobicContact CG1-CD1 3.9Å; V266-L269 HydrophobicContact CG1-CD1 4.01Å; V266-L269 WeakPolarHBondContact O-CB 3.37Å; V266-L269 WeakPolarHBondContact O-CG 3.49Å; V266-L269 PolarHBondContact O-N 2.93Å; V266-L269 VanDerWaalsContact O-N 3.13Å; I267-L269 PolarHBondContact O-N 3.33Å; L269-R273 CarbonylContact O-C 3.54Å; L269-R273 VanDerWaalsContact O-CA 3.28Å; L269-R273 WeakPolarHBondContact O-CA 3.28Å; L269-R273 PolarHBondContact O-N 2.98Å; L269-T274 VanDerWaalsContact CD2-OG1 3.3Å; L269-T274 WeakPolarHBondContact CD2-OG1 3.13Å; L269-T274 PolarHBondContact O-N 3.2Å; L269-T274 VanDerWaalsContact O-N 3.17Å; L269-Y275 VanDerWaalsContact O-CD1 3.31Å; L269-Y275 WeakPolarHBondContact O-CD1 3.37Å; L269-Y275 PolarHBondContact O-N 2.8Å; L269-L278 HydrophobicContact CD1-CD2 3.81Å; L269-I280 HydrophobicContact CD2-CD1 4.28Å
270	A	87.4	Confident	90.9	Very high	7 Å²	7	35 Å²	35	6%	0.058	18%	0.179	C	C	.	.	H	α-helix	trans	-69.5	-40.9	173.2	0	0	0	0	0	111.9	F82 F112 I267 N268 R273	F82-A270 HydrophobicContact CB-CB 3.78Å; F112-A270 HydrophobicContact CE1-CB 3.84Å; F112-A270 HydrophobicContact CZ-CB 3.84Å; I267-A270 WeakPolarHBondContact O-CB 3.36Å; I267-A270 PolarHBondContact O-N 2.88Å; I267-A270 VanDerWaalsContact O-N 3.11Å; N268-A270 PolarHBondContact O-N 3.27Å; A270-R273 PolarHBondContact O-N 2.85Å
271	A	83.6	Confident	90.8	Very high	25 Å²	25	34.5 Å²	34.5	21%	0.207	18%	0.177	C	C	.	.	H	α-helix	trans	-64.7	-45.6	-179	0	0	0	0	0	112.1	V86 I267 N268	V86-A271 HydrophobicContact CB-CB 4.19Å; V86-A271 HydrophobicContact CG1-CB 3.48Å; V86-A271 VanDerWaalsContact CG1-CB 3.48Å; V86-A271 HydrophobicContact CG2-CB 4.16Å; I267-A271 PolarHBondContact O-N 3.21Å; N268-A271 WeakPolarHBondContact O-CB 3.15Å; N268-A271 PolarHBondContact O-N 2.92Å; N268-A271 VanDerWaalsContact O-N 3.15Å
272	T	84.2	Confident	90.8	Very high	59 Å²	59	34.5 Å²	34.5	36%	0.362	18%	0.177	S	C	.	.	H	α-helix	trans	-87.9	-7.8	-177.1	56.6	0	0	0	0	112.8	N268 T274 Y288	N268-T272 PolarHBondContact O-N 3.04Å; N268-T272 PolarHBondContact O-OG1 2.99Å; T272-T274 PolarHBondContact O-N 3.05Å; T272-T274 WeakPolarHBondContact OG1-CG2 3.31Å; T272-T274 PolarHBondContact OG1-OG1 3.03Å; T272-Y288 HydrophobicContact CG2-CD2 3.67Å; T272-Y288 HydrophobicContact CG2-CE2 3.97Å; T272-Y288 HydrophobicContact CG2-CG 4.46Å
273	R	83.1	Confident	90.7	Very high	153 Å²	153	38.6 Å²	38.6	58%	0.577	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	19.2	-173.8	-52	178.8	-178.8	-178.4	1.9	113.7	L269 A270 Y275	L269-R273 CarbonylContact O-C 3.54Å; L269-R273 VanDerWaalsContact O-CA 3.28Å; L269-R273 WeakPolarHBondContact O-CA 3.28Å; L269-R273 PolarHBondContact O-N 2.98Å; A270-R273 PolarHBondContact O-N 2.85Å; R273-Y275 HydrophobicContact CB-CE1 4.4Å; R273-Y275 PolarHBondContact O-N 3.03Å
274	T	86.1	Confident	90.6	Very high	56 Å²	56	42.1 Å²	42.1	34%	0.344	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-79	-1.9	177.7	56.2	0	0	0	0	113	L269 T272 Q276 N277	L269-T274 VanDerWaalsContact CD2-OG1 3.3Å; L269-T274 WeakPolarHBondContact CD2-OG1 3.13Å; L269-T274 PolarHBondContact O-N 3.2Å; L269-T274 VanDerWaalsContact O-N 3.17Å; T272-T274 PolarHBondContact O-N 3.05Å; T272-T274 WeakPolarHBondContact OG1-CG2 3.31Å; T272-T274 PolarHBondContact OG1-OG1 3.03Å; T274-Q276 PolarHBondContact O-N 3.4Å; T274-N277 PolarHBondContact O-N 3Å
275	Y	87.7	Confident	90.7	Very high	5 Å²	5	38.8 Å²	38.8	2%	0.02	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-56.5	-18.6	176.5	59.2	-109.1	0	0	0	113.9	K79 F112 M127 L130 E131 L269 R273 N277 L278	K79-Y275 WeakPolarHBondContact CD-OH 3.47Å; K79-Y275 WeakPolarHBondContact CE-OH 3.46Å; F112-Y275 HydrophobicContact CZ-CD1 4.37Å; M127-Y275 HydrophobicContact CE-CD2 3.75Å; M127-Y275 HydrophobicContact CE-CG 4.49Å; M127-Y275 WeakPolarHBondContact CE-O 3.44Å; L130-Y275 HydrophobicContact CD2-CD1 4.32Å; L130-Y275 HydrophobicContact CD2-CD2 3.6Å; L130-Y275 HydrophobicContact CD2-CE1 4.26Å; L130-Y275 HydrophobicContact CD2-CE2 3.54Å; L130-Y275 HydrophobicContact CD2-CG 4.02Å; E131-Y275 PolarHBondContact OE1-OH 3.18Å; L269-Y275 VanDerWaalsContact O-CD1 3.31Å; L269-Y275 WeakPolarHBondContact O-CD1 3.37Å; L269-Y275 PolarHBondContact O-N 2.8Å; R273-Y275 HydrophobicContact CB-CE1 4.4Å; R273-Y275 PolarHBondContact O-N 3.03Å; Y275-N277 VanDerWaalsContact C-N 3.27Å; Y275-N277 PolarHBondContact O-N 3.4Å; Y275-L278 WeakPolarHBondContact O-CD2 3.41Å; Y275-L278 WeakPolarHBondContact O-CG 3.4Å
276	Q	87.6	Confident	90.6	Very high	83 Å²	83	38.8 Å²	38.8	39%	0.388	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-67.8	-25.7	177.6	-65	-176.2	-12.6	0	0	113.2	T274	T274-Q276 PolarHBondContact O-N 3.4Å
277	N	91.5	Very high	90.3	Very high	62 Å²	62	43.1 Å²	43.1	33%	0.332	22%	0.216	S	C	.	.			trans	-122.2	98.7	175.7	-179.8	4.6	0	0	0	109	P123 T274 Y275 D279 I280	P123-N277 HydrophobicContact CB-CB 4.42Å; T274-N277 PolarHBondContact O-N 3Å; Y275-N277 VanDerWaalsContact C-N 3.27Å; Y275-N277 PolarHBondContact O-N 3.4Å; N277-D279 WeakPolarHBondContact OD1-CB 3.44Å; N277-D279 PolarHBondContact OD1-N 3.42Å; N277-I280 HydrophobicContact CB-CG2 4.44Å
278	L	94.4	Very high	89.6	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.241	C	C	.	.			trans	-95	5	176.3	-53.8	-177.1	0	0	0	112.3	L116 Y120 V233 H234 L237 L269 Y275 I280	L116-L278 HydrophobicContact CB-CD1 4.08Å; Y120-L278 HydrophobicContact CD1-CB 4.13Å; Y120-L278 HydrophobicContact CD1-CD1 4.24Å; Y120-L278 HydrophobicContact CD2-CB 3.93Å; Y120-L278 HydrophobicContact CD2-CD1 3.59Å; Y120-L278 HydrophobicContact CD2-CG 3.59Å; Y120-L278 HydrophobicContact CE1-CB 3.86Å; Y120-L278 HydrophobicContact CE2-CB 3.66Å; Y120-L278 HydrophobicContact CE2-CD1 4.18Å; Y120-L278 HydrophobicContact CE2-CG 3.67Å; Y120-L278 HydrophobicContact CG-CB 4.15Å; Y120-L278 HydrophobicContact CG-CD1 3.61Å; Y120-L278 HydrophobicContact CG-CG 4.04Å; Y120-L278 PolarHBondContact OH-N 2.92Å; V233-L278 HydrophobicContact CB-CB 4.45Å; V233-L278 WeakPolarHBondContact CB-O 3.46Å; V233-L278 HydrophobicContact CG1-CB 4.39Å; V233-L278 HydrophobicContact CG1-CD2 4.05Å; V233-L278 PolarHBondContact N-O 3.02Å; V233-L278 VanDerWaalsContact N-O 3.13Å; H234-L278 HydrophobicContact CB-CB 3.81Å; H234-L278 PolarHBondContact CD2-O 3.18Å; H234-L278 PolarHBondContact N-O 3.24Å; L237-L278 HydrophobicContact CD1-CD1 3.95Å; L269-L278 HydrophobicContact CD1-CD2 3.81Å; Y275-L278 WeakPolarHBondContact O-CD2 3.41Å; Y275-L278 WeakPolarHBondContact O-CG 3.4Å; L278-I280 VanDerWaalsContact C-N 3.28Å
279	D	94.7	Very high	89.5	Confident	73 Å²	73	51 Å²	51	39%	0.39	25%	0.245	S	C	.	.			trans	-78.9	-12.9	170.1	-74.1	-83.2	0	0	0	112.4	Y120 P123 H234 N277	Y120-D279 PolarHBondContact OH-N 3.27Å; Y120-D279 PolarHBondContact OH-OD2 2.98Å; P123-D279 WeakPolarHBondContact CD-OD2 3.43Å; P123-D279 HydrophobicContact CG-CB 4.11Å; P123-D279 WeakPolarHBondContact CG-OD2 3.26Å; H234-D279 IonicContact CD2-OD1 3.53Å; H234-D279 IonicContact NE2-OD1 3.22Å; N277-D279 WeakPolarHBondContact OD1-CB 3.44Å; N277-D279 PolarHBondContact OD1-N 3.42Å
280	I	94.2	Very high	88.8	Confident	29 Å²	29	54.5 Å²	54.5	15%	0.149	26%	0.258	C	S	.	.	S	Bend	trans	-54.2	146.9	168.4	69.2	175.6	0	0	0	110.1	P232 V233 L269 N277 L278 E284 A285	P232-I280 WeakPolarHBondContact CA-O 3.27Å; V233-I280 HydrophobicContact CB-CG1 4.46Å; V233-I280 HydrophobicContact CG2-CD1 4.44Å; V233-I280 HydrophobicContact CG2-CG1 3.86Å; V233-I280 WeakPolarHBondContact CG2-O 3.32Å; V233-I280 PolarHBondContact N-O 3.2Å; L269-I280 HydrophobicContact CD2-CD1 4.28Å; N277-I280 HydrophobicContact CB-CG2 4.44Å; L278-I280 VanDerWaalsContact C-N 3.28Å; I280-E284 HydrophobicContact CB-CB 4.33Å; I280-A285 HydrophobicContact CD1-CB 4.26Å
281	S	96	Very high	88.4	Confident	12 Å²	12	58.3 Å²	58.3	8%	0.084	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-69.7	155.9	178.3	64.1	0	0	0	0	111.8	Q229 C231 Y283 E284 A285	Q229-S281 WeakPolarHBondContact O-CB 3.24Å; C231-S281 CarbonylContact O-C 3.56Å; C231-S281 WeakPolarHBondContact O-CA 3.4Å; S281-Y283 PolarHBondContact O-N 3.33Å; S281-E284 WeakPolarHBondContact CB-OE2 3.08Å; S281-E284 PolarHBondContact N-OE2 2.86Å; S281-E284 PolarHBondContact O-N 2.92Å; S281-E284 VanDerWaalsContact O-N 3.15Å; S281-E284 WeakPolarHBondContact OG-CB 3.31Å; S281-E284 VanDerWaalsContact OG-CG 3.24Å; S281-E284 WeakPolarHBondContact OG-CG 3.36Å; S281-E284 PolarHBondContact OG-N 3.45Å; S281-E284 VanDerWaalsContact OG-N 3.11Å; S281-E284 PolarHBondContact OG-OE2 2.93Å; S281-A285 PolarHBondContact O-N 3.46Å
282	V	95.9	Very high	88.1	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-55.7	-37.5	168.5	163.3	0	0	0	0	110.8	C231 A236 V250 Y261 E284 A285 L286	C231-V282 HydrophobicContact CB-CG2 4.31Å; C231-V282 WeakPolarHBondContact O-CG2 3.46Å; C231-V282 PolarHBondContact O-N 3.35Å; A236-V282 HydrophobicContact CB-CG2 3.92Å; V250-V282 HydrophobicContact CG2-CG1 3.73Å; Y261-V282 HydrophobicContact CD1-CG2 4.12Å; Y261-V282 HydrophobicContact CD2-CG1 3.97Å; Y261-V282 HydrophobicContact CE1-CG2 4.46Å; Y261-V282 HydrophobicContact CG-CG1 3.81Å; Y261-V282 HydrophobicContact CG-CG2 4.2Å; V282-E284 PolarHBondContact O-N 3.22Å; V282-A285 PolarHBondContact O-N 2.98Å; V282-L286 HydrophobicContact CG1-CD1 3.73Å; V282-L286 HydrophobicContact CG1-CG 4.35Å; V282-L286 WeakPolarHBondContact O-CB 3.49Å; V282-L286 WeakPolarHBondContact O-CD1 3.41Å; V282-L286 VanDerWaalsContact O-CG 3.24Å; V282-L286 WeakPolarHBondContact O-CG 3.43Å; V282-L286 PolarHBondContact O-N 3.4Å
283	Y	94.3	Very high	88	Confident	104 Å²	104	66.1 Å²	66.1	41%	0.408	32%	0.322	S	S	.	.	H	α-helix	trans	-57	-48.1	174.5	178	-96.4	0	0	0	112.5	Q229 S281 L286 D287 R290	Q229-Y283 WeakPolarHBondContact O-CB 3.38Å; Q229-Y283 PolarHBondContact O-N 3.1Å; Q229-Y283 VanDerWaalsContact OE1-CD2 3.24Å; S281-Y283 PolarHBondContact O-N 3.33Å; Y283-L286 PolarHBondContact O-N 3.44Å; Y283-D287 PolarHBondContact O-N 3.21Å; Y283-R290 VanDerWaalsContact CE2-NH2 3.34Å; Y283-R290 VanDerWaalsContact CZ-CZ 3.4Å; Y283-R290 PolarHBondContact O-NH2 3.22Å; Y283-R290 PolarHBondContact OH-NH1 2.99Å
284	E	92.8	Very high	87.9	Confident	106 Å²	106	68.4 Å²	68.4	50%	0.495	34%	0.34	S	S	.	.	H	α-helix	trans	-66.1	-41	177	-71.8	164.5	116.9	0	0	111.8	I280 S281 V282 L286 D287	I280-E284 HydrophobicContact CB-CB 4.33Å; S281-E284 WeakPolarHBondContact CB-OE2 3.08Å; S281-E284 PolarHBondContact N-OE2 2.86Å; S281-E284 PolarHBondContact O-N 2.92Å; S281-E284 VanDerWaalsContact O-N 3.15Å; S281-E284 WeakPolarHBondContact OG-CB 3.31Å; S281-E284 VanDerWaalsContact OG-CG 3.24Å; S281-E284 WeakPolarHBondContact OG-CG 3.36Å; S281-E284 PolarHBondContact OG-N 3.45Å; S281-E284 VanDerWaalsContact OG-N 3.11Å; S281-E284 PolarHBondContact OG-OE2 2.93Å; V282-E284 PolarHBondContact O-N 3.22Å; E284-L286 PolarHBondContact O-N 2.83Å; E284-D287 WeakPolarHBondContact O-CB 3.3Å; E284-D287 PolarHBondContact O-N 3.22Å; E284-D287 VanDerWaalsContact O-N 3.11Å
285	A	92.9	Very high	88	Confident	10 Å²	10	67.7 Å²	67.7	8%	0.083	34%	0.343	C	S	.	.	H	α-helix	trans	-63	-28.6	177.9	0	0	0	0	0	113.1	V233 Y261 I280 S281 V282	V233-A285 HydrophobicContact CG2-CB 3.58Å; Y261-A285 HydrophobicContact CE2-CB 4.06Å; I280-A285 HydrophobicContact CD1-CB 4.26Å; S281-A285 PolarHBondContact O-N 3.46Å; V282-A285 PolarHBondContact O-N 2.98Å
286	L	92.3	Very high	88.4	Confident	5 Å²	5	68.7 Å²	68.7	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-80.8	-13.7	177.8	-73.4	169.7	0	0	0	113.7	V250 D259 Y261 D265 V282 Y283 E284 Y288 R289 R290	V250-L286 HydrophobicContact CG2-CD1 4.34Å; D259-L286 HydrophobicContact CB-CD1 4.04Å; Y261-L286 HydrophobicContact CD2-CD1 4.42Å; Y261-L286 HydrophobicContact CD2-CD2 3.85Å; Y261-L286 HydrophobicContact CD2-CG 3.97Å; D265-L286 HydrophobicContact CB-CD2 4.35Å; V282-L286 HydrophobicContact CG1-CD1 3.73Å; V282-L286 HydrophobicContact CG1-CG 4.35Å; V282-L286 WeakPolarHBondContact O-CB 3.49Å; V282-L286 WeakPolarHBondContact O-CD1 3.41Å; V282-L286 VanDerWaalsContact O-CG 3.24Å; V282-L286 WeakPolarHBondContact O-CG 3.43Å; V282-L286 PolarHBondContact O-N 3.4Å; Y283-L286 PolarHBondContact O-N 3.44Å; E284-L286 PolarHBondContact O-N 2.83Å; L286-Y288 PolarHBondContact O-N 2.9Å; L286-Y288 VanDerWaalsContact O-N 3.14Å; L286-R289 VanDerWaalsContact CD2-NH2 3.29Å; L286-R289 PolarHBondContact O-N 3.31Å; L286-R290 PolarHBondContact O-N 2.69Å
287	D	87	Confident	88.8	Confident	91 Å²	91	65.8 Å²	65.8	49%	0.487	34%	0.34	S	S	.	.	H	α-helix	trans	-55	-37	-177.6	-164.2	69.5	0	0	0	112.1	Y283 E284 R289 R290	Y283-D287 PolarHBondContact O-N 3.21Å; E284-D287 WeakPolarHBondContact O-CB 3.3Å; E284-D287 PolarHBondContact O-N 3.22Å; E284-D287 VanDerWaalsContact O-N 3.11Å; D287-R289 PolarHBondContact O-N 2.98Å; D287-R290 PolarHBondContact O-N 3.36Å; D287-R290 IonicContact OD1-CZ 3.84Å; D287-R290 VanDerWaalsContact OD1-CZ 3.22Å; D287-R290 IonicContact OD1-NE 3.47Å; D287-R290 IonicContact OD1-NH1 3.67Å; D287-R290 PolarHBondContact OD1-NH1 3.18Å; D287-R290 IonicContact OD1-NH2 2.75Å
288	Y	78	Confident	89.1	Confident	137 Å²	137	64.9 Å²	64.9	54%	0.537	34%	0.337	S	S	.	.	H	α-helix	trans	-54.2	-30.2	177.8	-175.9	-99	0	0	0	114.4	N268 T272 L286	N268-Y288 HydrophobicContact CB-CD1 3.79Å; N268-Y288 HydrophobicContact CB-CE1 4.24Å; N268-Y288 HydrophobicContact CB-CG 4.17Å; N268-Y288 WeakPolarHBondContact OD1-CE1 3.08Å; T272-Y288 HydrophobicContact CG2-CD2 3.67Å; T272-Y288 HydrophobicContact CG2-CE2 3.97Å; T272-Y288 HydrophobicContact CG2-CG 4.46Å; L286-Y288 PolarHBondContact O-N 2.9Å; L286-Y288 VanDerWaalsContact O-N 3.14Å
289	R	86	Confident	89.3	Confident	50 Å²	50	64.9 Å²	64.9	19%	0.189	34%	0.337	C	S	.	.	H	α-helix	trans	-110.6	-2.5	178.4	71.6	175.8	179.9	82.6	4.4	114.2	D259 I260 D265 L286 D287 G291 K292 F293	D259-R289 IonicContact OD1-CZ 3.95Å; D259-R289 IonicContact OD1-NH1 3.22Å; D259-R289 IonicContact OD1-NH2 3.59Å; D259-R289 PolarHBondContact OD1-NH2 3.47Å; I260-R289 PolarHBondContact O-NH2 3.05Å; D265-R289 WeakPolarHBondContact OD1-CD 3.38Å; D265-R289 IonicContact OD1-CZ 2.74Å; D265-R289 IonicContact OD1-NE 3.56Å; D265-R289 PolarHBondContact OD1-NE 3.1Å; D265-R289 IonicContact OD2-NE 2.73Å; D265-R289 IonicContact OD2-NH2 3.77Å; L286-R289 VanDerWaalsContact CD2-NH2 3.29Å; L286-R289 PolarHBondContact O-N 3.31Å; D287-R289 PolarHBondContact O-N 2.98Å; R289-G291 VanDerWaalsContact C-N 3.32Å; R289-G291 PolarHBondContact O-N 2.99Å; R289-K292 CarbonylContact O-C 3.55Å; R289-K292 PolarHBondContact O-N 3.36Å; R289-F293 PolarHBondContact O-N 3.03Å; R289-F293 VanDerWaalsContact O-N 3.16Å
290	R	76	Confident	89.4	Confident	78 Å²	78	66 Å²	66	29%	0.294	34%	0.34	S	S	.	.	H	α-helix	trans	-59.3	-40.5	-171.7	-165.3	-178.9	-66.9	145.7	5.5	112.4	Y283 L286 D287 K292 F293	Y283-R290 VanDerWaalsContact CE2-NH2 3.34Å; Y283-R290 VanDerWaalsContact CZ-CZ 3.4Å; Y283-R290 PolarHBondContact O-NH2 3.22Å; Y283-R290 PolarHBondContact OH-NH1 2.99Å; L286-R290 PolarHBondContact O-N 2.69Å; D287-R290 PolarHBondContact O-N 3.36Å; D287-R290 IonicContact OD1-CZ 3.84Å; D287-R290 VanDerWaalsContact OD1-CZ 3.22Å; D287-R290 IonicContact OD1-NE 3.47Å; D287-R290 IonicContact OD1-NH1 3.67Å; D287-R290 PolarHBondContact OD1-NH1 3.18Å; D287-R290 IonicContact OD1-NH2 2.75Å; R290-K292 PolarHBondContact O-N 3.16Å; R290-K292 VanDerWaalsContact O-N 3.09Å; R290-F293 WeakPolarHBondContact O-CB 3.31Å; R290-F293 PolarHBondContact O-N 3.04Å
291	G	77.3	Confident	89.6	Confident	86 Å²	86	67.7 Å²	67.7	89%	0.887	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.4	177.2	0	0	0	0	0	115.4	R289	R289-G291 VanDerWaalsContact C-N 3.32Å; R289-G291 PolarHBondContact O-N 2.99Å
292	K	78.9	Confident	89.6	Confident	195 Å²	195	71.1 Å²	71.1	85%	0.848	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	3.9	175.6	-62.6	-179.7	-177	176.1	0	112.4	R289 R290	R289-K292 CarbonylContact O-C 3.55Å; R289-K292 PolarHBondContact O-N 3.36Å; R290-K292 PolarHBondContact O-N 3.16Å; R290-K292 VanDerWaalsContact O-N 3.09Å
293	F	80.5	Confident	89.8	Confident	53 Å²	53	72.3 Å²	72.3	23%	0.232	37%	0.373	C	S	.	.			trans	-86.2	116.3	-175.1	-176.3	-123	0	0	0	110.2	D259 R289 R290 G295 V296	D259-F293 HydrophobicContact CB-CE1 4.31Å; D259-F293 HydrophobicContact CB-CZ 4.42Å; D259-F293 VanDerWaalsContact CG-CE1 3.43Å; D259-F293 WeakPolarHBondContact OD1-CE1 3.4Å; D259-F293 WeakPolarHBondContact OD1-CZ 3.45Å; D259-F293 WeakPolarHBondContact OD2-CE1 3.05Å; R289-F293 PolarHBondContact O-N 3.03Å; R289-F293 VanDerWaalsContact O-N 3.16Å; R290-F293 WeakPolarHBondContact O-CB 3.31Å; R290-F293 PolarHBondContact O-N 3.04Å; F293-G295 VanDerWaalsContact C-N 3.31Å; F293-G295 WeakPolarHBondContact CE2-O 3.43Å; F293-G295 WeakPolarHBondContact CZ-O 3.15Å; F293-V296 HydrophobicContact CZ-CG2 3.79Å
294	Q	81.5	Confident	89.9	Confident	201 Å²	201	69 Å²	69	94%	0.939	36%	0.363	S	S	*	.			trans	-91.3	5.7	179.4	-64.9	-178.1	-11.3	0	0	112.9
295	G	89	Confident	90.2	Very high	41 Å²	41	64.1 Å²	64.1	42%	0.423	34%	0.341	S	S	.	.			trans	107.7	170.5	-172.7	0	0	0	0	0	113.3	F293	F293-G295 VanDerWaalsContact C-N 3.31Å; F293-G295 WeakPolarHBondContact CE2-O 3.43Å; F293-G295 WeakPolarHBondContact CZ-O 3.15Å
296	V	94.9	Very high	90.4	Very high	27 Å²	27	66.1 Å²	66.1	16%	0.164	35%	0.348	C	S	.	.			trans	-78.4	128.6	176.8	-171.5	0	0	0	0	108.7	L257 I260 F293 T298 V321	L257-V296 HydrophobicContact CD1-CG2 4.32Å; L257-V296 HydrophobicContact CD2-CB 4.01Å; L257-V296 HydrophobicContact CD2-CG1 3.97Å; L257-V296 HydrophobicContact CD2-CG2 4.32Å; L257-V296 HydrophobicContact CG-CB 4.43Å; L257-V296 HydrophobicContact CG-CG2 4.21Å; I260-V296 HydrophobicContact CB-CG1 4.19Å; I260-V296 HydrophobicContact CB-CG2 4.28Å; I260-V296 HydrophobicContact CG2-CG1 4.12Å; I260-V296 HydrophobicContact CG2-CG2 4.21Å; F293-V296 HydrophobicContact CZ-CG2 3.79Å; V296-T298 HydrophobicContact CB-CG2 4.46Å; V296-T298 HydrophobicContact CG1-CG2 4.42Å; V296-T298 PolarHBondContact O-N 3.37Å; V296-V321 HydrophobicContact CG1-CB 4.19Å; V296-V321 HydrophobicContact CG1-CG2 3.61Å
297	A	96.7	Very high	90.7	Very high	22 Å²	22	68.3 Å²	68.3	18%	0.182	36%	0.362	C	S	.	.			trans	-70.8	122.7	171.1	0	0	0	0	0	109.7	A315 V317 L320 V321	A297-A315 HydrophobicContact CB-CB 4.02Å; A297-V317 HydrophobicContact CB-CG1 4.17Å; A297-V317 HydrophobicContact CB-CG2 3.81Å; A297-L320 HydrophobicContact CB-CD2 3.53Å; A297-L320 WeakPolarHBondContact O-CA 3.49Å; A297-V321 PolarHBondContact O-N 3.5Å
298	T	98.1	Very high	91.2	Very high	43 Å²	43	64 Å²	64	26%	0.264	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	163.1	-174	57	0	0	0	0	112.8	L257 V296 R311 V321 V323	L257-T298 HydrophobicContact CD2-CG2 3.62Å; V296-T298 HydrophobicContact CB-CG2 4.46Å; V296-T298 HydrophobicContact CG1-CG2 4.42Å; V296-T298 PolarHBondContact O-N 3.37Å; T298-R311 WeakPolarHBondContact O-CD 3.25Å; T298-R311 PolarHBondContact O-NH1 2.89Å; T298-V321 CarbonylContact C-O 3.59Å; T298-V321 WeakPolarHBondContact CA-O 3.4Å; T298-V321 VanDerWaalsContact CB-O 3.32Å; T298-V321 WeakPolarHBondContact CB-O 3.46Å; T298-V321 HydrophobicContact CG2-CB 4.39Å; T298-V323 HydrophobicContact CG2-CG1 3.97Å; T298-V323 HydrophobicContact CG2-CG2 4.18Å
299	C	98.1	Very high	92.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	167.1	163.4	61.9	0	0	0	0	111.2	D303 I308 L320 V321 V322 V323	C299-D303 VanDerWaalsContact CA-OD2 3.26Å; C299-D303 WeakPolarHBondContact CA-OD2 3.22Å; C299-D303 HydrophobicContact CB-CB 4.47Å; C299-D303 VanDerWaalsContact CB-OD2 3.25Å; C299-D303 WeakPolarHBondContact CB-OD2 3.26Å; C299-I308 HydrophobicContact CB-CG1 4.06Å; C299-L320 HydrophobicContact CB-CB 4.37Å; C299-L320 HydrophobicContact CB-CD1 3.87Å; C299-V321 PolarHBondContact N-O 2.92Å; C299-V322 CarbonylContact O-C 3.51Å; C299-V322 WeakPolarHBondContact O-CA 3.43Å; C299-V323 PolarHBondContact O-N 3.32Å
300	Q	97.9	Very high	92.7	Very high	96 Å²	96	57.6 Å²	57.6	45%	0.449	32%	0.317	S	S	.	.			trans	-111.1	165	176.7	-61.5	-172.1	31.4	0	0	109.7	D302 D303	Q300-D302 WeakPolarHBondContact CB-OD1 3.26Å; Q300-D302 PolarHBondContact O-N 3.19Å; Q300-D303 PolarHBondContact N-OD2 2.79Å; Q300-D303 WeakPolarHBondContact O-CB 3.05Å; Q300-D303 PolarHBondContact O-N 3.17Å
301	L	97.2	Very high	93.8	Very high	65 Å²	65	58 Å²	58	34%	0.34	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.2	179.9	-75.4	176.5	0	0	0	112.9	L213 C214 M221 V322 L329	L213-L301 WeakPolarHBondContact CB-O 3.22Å; L213-L301 HydrophobicContact CD2-CD2 4.43Å; L213-L301 HydrophobicContact CG-CD2 4.43Å; L213-L301 PolarHBondContact N-O 2.86Å; C214-L301 HydrophobicContact CB-CB 4.23Å; C214-L301 PolarHBondContact N-O 3.19Å; C214-L301 PolarHBondContact SG-O 2.8Å; M221-L301 HydrophobicContact CE-CD2 4.34Å; M221-L301 HydrophobicContact SD-CD2 4.06Å; L301-V322 HydrophobicContact CD2-CG1 3.89Å; L301-V322 HydrophobicContact CG-CG1 4.03Å; L301-L329 HydrophobicContact CD1-CD1 3.76Å; L301-L329 HydrophobicContact CG-CD1 4.18Å
302	D	97.5	Very high	94.8	Very high	84 Å²	84	53.9 Å²	53.9	45%	0.449	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-9.1	179.1	67.8	-33	0	0	0	113.9	K212 Q300	K212-D302 HydrophobicContact CD-CB 4.33Å; K212-D302 WeakPolarHBondContact CG-O 3.09Å; Q300-D302 WeakPolarHBondContact CB-OD1 3.26Å; Q300-D302 PolarHBondContact O-N 3.19Å
303	D	98.3	Very high	95.6	Very high	25 Å²	25	45.7 Å²	45.7	13%	0.134	24%	0.243	C	C	.	.	S	Bend	trans	-60	136.6	170.5	-79	-45	0	0	0	109.5	K212 L213 C299 Q300 V307 I308 R311	K212-D303 WeakPolarHBondContact CA-O 3.42Å; L213-D303 PolarHBondContact N-O 3.22Å; C299-D303 VanDerWaalsContact CA-OD2 3.26Å; C299-D303 WeakPolarHBondContact CA-OD2 3.22Å; C299-D303 HydrophobicContact CB-CB 4.47Å; C299-D303 VanDerWaalsContact CB-OD2 3.25Å; C299-D303 WeakPolarHBondContact CB-OD2 3.26Å; Q300-D303 PolarHBondContact N-OD2 2.79Å; Q300-D303 WeakPolarHBondContact O-CB 3.05Å; Q300-D303 PolarHBondContact O-N 3.17Å; D303-V307 HydrophobicContact CB-CB 4.44Å; D303-V307 HydrophobicContact CB-CG1 4.22Å; D303-V307 WeakPolarHBondContact OD1-CG1 3.46Å; D303-I308 HydrophobicContact CB-CD1 4.26Å; D303-I308 HydrophobicContact CB-CG1 4.05Å; D303-R311 IonicContact OD1-CZ 2.62Å; D303-R311 IonicContact OD1-NH1 3.81Å; D303-R311 IonicContact OD1-NH2 3.75Å; D303-R311 PolarHBondContact OD1-NH2 3.1Å; D303-R311 IonicContact OD2-CZ 2.75Å; D303-R311 IonicContact OD2-NH1 3.88Å; D303-R311 PolarHBondContact OD2-NH1 3.43Å; D303-R311 IonicContact OD2-NH2 2.98Å
304	T	98.1	Very high	96.4	Very high	34 Å²	34	49 Å²	49	21%	0.209	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-74.5	158.6	174.2	66.6	0	0	0	0	111.3	K211 E306 V307 I308	K211-T304 VanDerWaalsContact O-CA 3.31Å; K211-T304 WeakPolarHBondContact O-CA 3.41Å; T304-E306 PolarHBondContact O-N 2.8Å; T304-V307 PolarHBondContact O-N 2.9Å; T304-V307 WeakPolarHBondContact OG1-CG2 3.23Å; T304-V307 PolarHBondContact OG1-N 3.26Å; T304-I308 WeakPolarHBondContact O-CG1 3.4Å; T304-I308 PolarHBondContact O-N 2.85Å
305	L	97.3	Very high	97	Very high	4 Å²	4	42 Å²	42	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-57.9	-34	173.8	-76.9	-177.2	0	0	0	112.8	F208 M209 K211 V216 V218 I308 V309 F340	F208-L305 HydrophobicContact CD2-CD1 4.31Å; F208-L305 WeakPolarHBondContact O-CD1 3.45Å; M209-L305 HydrophobicContact SD-CB 4.34Å; K211-L305 PolarHBondContact O-N 2.97Å; V216-L305 HydrophobicContact CG1-CD1 4.33Å; V216-L305 HydrophobicContact CG2-CD1 4.17Å; V216-L305 HydrophobicContact CG2-CD2 4.07Å; V216-L305 HydrophobicContact CG2-CG 4.16Å; V218-L305 HydrophobicContact CG2-CD2 4.23Å; L305-I308 HydrophobicContact CD2-CD1 4.46Å; L305-I308 PolarHBondContact O-N 3.31Å; L305-V309 WeakPolarHBondContact O-CB 3.45Å; L305-V309 VanDerWaalsContact O-CG2 3.26Å; L305-V309 WeakPolarHBondContact O-CG2 3.43Å; L305-V309 PolarHBondContact O-N 3.02Å; L305-F340 HydrophobicContact CD1-CD1 3.69Å; L305-F340 HydrophobicContact CD1-CE1 3.13Å; L305-F340 HydrophobicContact CD1-CZ 3.66Å
306	E	97.3	Very high	97.3	Very high	52 Å²	52	41.2 Å²	41.2	24%	0.243	23%	0.232	C	C	.	.	H	α-helix	trans	-58.3	-50.2	171.2	175.4	167.4	-140.3	0	0	112.4	R12 M209 T304 I308 V309 N310	R12-E306 IonicContact CZ-OE1 3.91Å; R12-E306 IonicContact NH1-OE1 3.79Å; R12-E306 PolarHBondContact NH1-OE1 3.38Å; M209-E306 HydrophobicContact CB-CB 4.46Å; M209-E306 HydrophobicContact CE-CB 3.99Å; M209-E306 PolarHBondContact O-N 3.4Å; T304-E306 PolarHBondContact O-N 2.8Å; E306-I308 VanDerWaalsContact C-N 3.29Å; E306-I308 PolarHBondContact O-N 3.05Å; E306-V309 PolarHBondContact O-N 3.48Å; E306-N310 WeakPolarHBondContact O-CB 3.33Å; E306-N310 VanDerWaalsContact O-CG 3.28Å; E306-N310 PolarHBondContact O-N 2.96Å; E306-N310 PolarHBondContact O-ND2 2.97Å
307	V	98.2	Very high	97.3	Very high	50 Å²	50	42.1 Å²	42.1	30%	0.303	24%	0.237	S	C	.	.	H	α-helix	trans	-60.7	-42	178.8	172.3	0	0	0	0	110.6	D303 T304 R311	D303-V307 HydrophobicContact CB-CB 4.44Å; D303-V307 HydrophobicContact CB-CG1 4.22Å; D303-V307 WeakPolarHBondContact OD1-CG1 3.46Å; T304-V307 PolarHBondContact O-N 2.9Å; T304-V307 WeakPolarHBondContact OG1-CG2 3.23Å; T304-V307 PolarHBondContact OG1-N 3.26Å; V307-R311 VanDerWaalsContact CG1-NH2 3.26Å; V307-R311 WeakPolarHBondContact O-CB 3.39Å; V307-R311 PolarHBondContact O-N 3.05Å
308	I	98.4	Very high	97.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.9	-46.5	178.5	-71.3	166.8	0	0	0	111.8	L213 C299 D303 T304 L305 E306 R311 I312 L320 V332 I337	L213-I308 HydrophobicContact CB-CD1 3.75Å; L213-I308 HydrophobicContact CD1-CD1 4.01Å; L213-I308 HydrophobicContact CD2-CD1 3.85Å; L213-I308 HydrophobicContact CG-CD1 4.08Å; C299-I308 HydrophobicContact CB-CG1 4.06Å; D303-I308 HydrophobicContact CB-CD1 4.26Å; D303-I308 HydrophobicContact CB-CG1 4.05Å; T304-I308 WeakPolarHBondContact O-CG1 3.4Å; T304-I308 PolarHBondContact O-N 2.85Å; L305-I308 HydrophobicContact CD2-CD1 4.46Å; L305-I308 PolarHBondContact O-N 3.31Å; E306-I308 VanDerWaalsContact C-N 3.29Å; E306-I308 PolarHBondContact O-N 3.05Å; I308-R311 PolarHBondContact O-N 3.33Å; I308-I312 WeakPolarHBondContact O-CB 3.32Å; I308-I312 WeakPolarHBondContact O-CG2 3.3Å; I308-I312 PolarHBondContact O-N 3.37Å; I308-L320 HydrophobicContact CB-CD1 4.49Å; I308-L320 HydrophobicContact CG2-CD1 4.05Å; I308-V332 HydrophobicContact CG2-CG1 4.16Å; I308-I337 HydrophobicContact CG2-CD1 3.94Å; I308-I337 HydrophobicContact CG2-CG1 4.48Å
309	V	98.1	Very high	97.2	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.024	23%	0.232	C	C	.	.	H	α-helix	trans	-64.5	-44.2	179	169.5	0	0	0	0	110.9	L193 L200 M209 L305 E306 I312 V313 I337	L193-V309 HydrophobicContact CD1-CG1 4.35Å; L200-V309 HydrophobicContact CD1-CG1 4.46Å; M209-V309 HydrophobicContact CE-CB 4.42Å; M209-V309 HydrophobicContact CE-CG2 4.42Å; L305-V309 WeakPolarHBondContact O-CB 3.45Å; L305-V309 VanDerWaalsContact O-CG2 3.26Å; L305-V309 WeakPolarHBondContact O-CG2 3.43Å; L305-V309 PolarHBondContact O-N 3.02Å; E306-V309 PolarHBondContact O-N 3.48Å; V309-I312 WeakPolarHBondContact O-CG2 3.23Å; V309-V313 WeakPolarHBondContact O-CB 3.25Å; V309-V313 VanDerWaalsContact O-CG2 3.23Å; V309-V313 WeakPolarHBondContact O-CG2 3.21Å; V309-V313 PolarHBondContact O-N 3.33Å; V309-I337 HydrophobicContact CG2-CG2 3.86Å
310	N	98.1	Very high	97.2	Very high	49 Å²	49	42.7 Å²	42.7	26%	0.262	23%	0.232	S	C	.	.	H	α-helix	trans	-61.7	-52.3	175.8	-69.8	-26.2	0	0	0	110.3	H197 E306 I312 V313 D314	H197-N310 PolarHBondContact CD2-OD1 2.64Å; H197-N310 PolarHBondContact NE2-OD1 3.12Å; E306-N310 WeakPolarHBondContact O-CB 3.33Å; E306-N310 VanDerWaalsContact O-CG 3.28Å; E306-N310 PolarHBondContact O-N 2.96Å; E306-N310 PolarHBondContact O-ND2 2.97Å; N310-I312 PolarHBondContact O-N 3.23Å; N310-V313 PolarHBondContact O-N 3.18Å; N310-V313 VanDerWaalsContact O-N 3.16Å; N310-D314 WeakPolarHBondContact O-CB 3.39Å; N310-D314 PolarHBondContact O-N 3.16Å
311	R	98	Very high	97.2	Very high	86 Å²	86	38.2 Å²	38.2	33%	0.325	21%	0.211	S	C	.	.	H	α-helix	trans	-60	-42.6	-176.4	-169.2	177.7	-65.3	157.5	7.8	112.9	T298 D303 V307 I308 A315 L320	T298-R311 WeakPolarHBondContact O-CD 3.25Å; T298-R311 PolarHBondContact O-NH1 2.89Å; D303-R311 IonicContact OD1-CZ 2.62Å; D303-R311 IonicContact OD1-NH1 3.81Å; D303-R311 IonicContact OD1-NH2 3.75Å; D303-R311 PolarHBondContact OD1-NH2 3.1Å; D303-R311 IonicContact OD2-CZ 2.75Å; D303-R311 IonicContact OD2-NH1 3.88Å; D303-R311 PolarHBondContact OD2-NH1 3.43Å; D303-R311 IonicContact OD2-NH2 2.98Å; V307-R311 VanDerWaalsContact CG1-NH2 3.26Å; V307-R311 WeakPolarHBondContact O-CB 3.39Å; V307-R311 PolarHBondContact O-N 3.05Å; I308-R311 PolarHBondContact O-N 3.33Å; R311-A315 WeakPolarHBondContact O-CB 3.4Å; R311-A315 PolarHBondContact O-N 3.47Å; R311-L320 HydrophobicContact CB-CD1 4.29Å; R311-L320 HydrophobicContact CG-CD1 4.4Å; R311-L320 HydrophobicContact CG-CD2 4.39Å
312	I	98.1	Very high	97.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-69.8	-33.9	-179.8	-158.9	171.7	0	0	0	112.3	L193 I308 V309 N310 G316 V317 L320 L334 I337	L193-I312 HydrophobicContact CD2-CG2 3.76Å; I308-I312 WeakPolarHBondContact O-CB 3.32Å; I308-I312 WeakPolarHBondContact O-CG2 3.3Å; I308-I312 PolarHBondContact O-N 3.37Å; V309-I312 WeakPolarHBondContact O-CG2 3.23Å; N310-I312 PolarHBondContact O-N 3.23Å; I312-G316 PolarHBondContact O-N 3.43Å; I312-G316 VanDerWaalsContact O-N 3.17Å; I312-V317 HydrophobicContact CG1-CG2 3.88Å; I312-V317 PolarHBondContact O-N 3.13Å; I312-L320 HydrophobicContact CB-CD1 4.23Å; I312-L320 HydrophobicContact CB-CD2 4.24Å; I312-L320 HydrophobicContact CB-CG 4.08Å; I312-L320 HydrophobicContact CD1-CG 4.34Å; I312-L320 HydrophobicContact CG1-CD2 4.28Å; I312-L320 HydrophobicContact CG1-CG 4.17Å; I312-L334 HydrophobicContact CD1-CD2 3.68Å; I312-L334 HydrophobicContact CD1-CG 3.9Å; I312-L334 HydrophobicContact CG1-CD2 4.07Å; I312-L334 HydrophobicContact CG2-CD2 4.14Å; I312-I337 HydrophobicContact CD1-CD1 3.82Å; I312-I337 HydrophobicContact CG2-CD1 3.83Å
313	V	97.5	Very high	97.3	Very high	23 Å²	23	31.6 Å²	31.6	14%	0.139	18%	0.176	C	C	.	.	H	α-helix	trans	-72.8	-46.6	177.4	173.1	0	0	0	0	110.6	L193 K194 H197 V309 N310 G316	L193-V313 HydrophobicContact CD2-CG2 3.83Å; L193-V313 HydrophobicContact CG-CG2 3.91Å; K194-V313 HydrophobicContact CB-CG1 4.49Å; K194-V313 HydrophobicContact CG-CG1 4.37Å; H197-V313 HydrophobicContact CB-CG1 4.2Å; H197-V313 HydrophobicContact CB-CG2 4.09Å; V309-V313 WeakPolarHBondContact O-CB 3.25Å; V309-V313 VanDerWaalsContact O-CG2 3.23Å; V309-V313 WeakPolarHBondContact O-CG2 3.21Å; V309-V313 PolarHBondContact O-N 3.33Å; N310-V313 PolarHBondContact O-N 3.18Å; N310-V313 VanDerWaalsContact O-N 3.16Å; V313-G316 WeakPolarHBondContact O-CA 3.27Å; V313-G316 PolarHBondContact O-N 2.94Å
314	D	96.2	Very high	97.2	Very high	122 Å²	122	34.4 Å²	34.4	65%	0.652	19%	0.191	S	C	*	.	H	α-helix	trans	-65.4	-46.5	-178.8	-66.6	-21.5	0	0	0	111.5	N310 G316	N310-D314 WeakPolarHBondContact O-CB 3.39Å; N310-D314 PolarHBondContact O-N 3.16Å; D314-G316 PolarHBondContact O-N 3.2Å
315	A	95	Very high	97.1	Very high	55 Å²	55	39.2 Å²	39.2	46%	0.455	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.5	173.4	0	0	0	0	0	112.4	A297 R311 V317	A297-A315 HydrophobicContact CB-CB 4.02Å; R311-A315 WeakPolarHBondContact O-CB 3.4Å; R311-A315 PolarHBondContact O-N 3.47Å; A315-V317 HydrophobicContact CB-CG1 4.18Å; A315-V317 HydrophobicContact CB-CG2 4.09Å; A315-V317 PolarHBondContact O-N 2.86Å
316	G	93.9	Very high	97	Very high	24 Å²	24	42.4 Å²	42.4	25%	0.247	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	27.9	179.3	0	0	0	0	0	113.8	K190 I312 V313 D314	K190-G316 WeakPolarHBondContact CE-O 3.46Å; K190-G316 VanDerWaalsContact NZ-C 3.33Å; K190-G316 VanDerWaalsContact NZ-CA 3.29Å; K190-G316 PolarHBondContact NZ-O 3.24Å; I312-G316 PolarHBondContact O-N 3.43Å; I312-G316 VanDerWaalsContact O-N 3.17Å; V313-G316 WeakPolarHBondContact O-CA 3.27Å; V313-G316 PolarHBondContact O-N 2.94Å; D314-G316 PolarHBondContact O-N 3.2Å
317	V	94.7	Very high	97	Very high	46 Å²	46	45.3 Å²	45.3	28%	0.279	25%	0.245	S	C	.	.			trans	-96.8	169.8	-179.1	-62.8	0	0	0	0	111.5	A297 I312 A315 R319 L320	A297-V317 HydrophobicContact CB-CG1 4.17Å; A297-V317 HydrophobicContact CB-CG2 3.81Å; I312-V317 HydrophobicContact CG1-CG2 3.88Å; I312-V317 PolarHBondContact O-N 3.13Å; A315-V317 HydrophobicContact CB-CG1 4.18Å; A315-V317 HydrophobicContact CB-CG2 4.09Å; A315-V317 PolarHBondContact O-N 2.86Å; V317-R319 WeakPolarHBondContact CG2-O 3.48Å; V317-L320 HydrophobicContact CG2-CD2 4.03Å
318	H	95.5	Very high	97	Very high	50 Å²	50	44.4 Å²	44.4	23%	0.231	24%	0.239	C	C	.	.	S	Bend	trans	-91.1	-13	177.6	-165.5	-86.1	0	0	0	113.4	H171 H189 L334	H171-H318 AromaticContact CD2-CE1 4Å; H171-H318 AromaticContact CE1-CE1 3.71Å; H171-H318 AromaticContact CG-NE2 3.79Å; H171-H318 AromaticContact ND1-CE1 3.94Å; H171-H318 AromaticContact ND1-NE2 3.82Å; H171-H318 AromaticContact NE2-CE1 3.75Å; H189-H318 AromaticContact ND1-NE2 3.52Å; H318-L334 HydrophobicContact CB-CD1 4.36Å; H318-L334 WeakPolarHBondContact O-CG 3.42Å; H318-L334 PolarHBondContact O-N 3.39Å
319	R	97.7	Very high	96.9	Very high	27 Å²	27	47.2 Å²	47.2	10%	0.102	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	157.1	-179.8	74.5	-163.2	81.6	-149	-6.7	111.1	S246 A247 I260 V317 I331 V332	S246-R319 VanDerWaalsContact C-NH2 3.29Å; S246-R319 PolarHBondContact O-NH2 2.86Å; S246-R319 VanDerWaalsContact OG-CZ 3.27Å; S246-R319 PolarHBondContact OG-NH1 3.21Å; S246-R319 PolarHBondContact OG-NH2 3.22Å; A247-R319 VanDerWaalsContact CB-NE 3.28Å; I260-R319 HydrophobicContact CD1-CG 4Å; V317-R319 WeakPolarHBondContact CG2-O 3.48Å; R319-I331 HydrophobicContact CB-CG2 3.97Å; R319-I331 HydrophobicContact CG-CG2 4.09Å; R319-V332 CarbonylContact C-O 3.5Å; R319-V332 WeakPolarHBondContact CA-O 3.14Å; R319-V332 VanDerWaalsContact CB-O 3.31Å; R319-V332 WeakPolarHBondContact CB-O 3.38Å
320	L	98.4	Very high	96.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	143.1	163.7	-57	-179.3	0	0	0	109.1	A297 C299 I308 R311 I312 V317 I331 V332	A297-L320 HydrophobicContact CB-CD2 3.53Å; A297-L320 WeakPolarHBondContact O-CA 3.49Å; C299-L320 HydrophobicContact CB-CB 4.37Å; C299-L320 HydrophobicContact CB-CD1 3.87Å; I308-L320 HydrophobicContact CB-CD1 4.49Å; I308-L320 HydrophobicContact CG2-CD1 4.05Å; R311-L320 HydrophobicContact CB-CD1 4.29Å; R311-L320 HydrophobicContact CG-CD1 4.4Å; R311-L320 HydrophobicContact CG-CD2 4.39Å; I312-L320 HydrophobicContact CB-CD1 4.23Å; I312-L320 HydrophobicContact CB-CD2 4.24Å; I312-L320 HydrophobicContact CB-CG 4.08Å; I312-L320 HydrophobicContact CD1-CG 4.34Å; I312-L320 HydrophobicContact CG1-CD2 4.28Å; I312-L320 HydrophobicContact CG1-CG 4.17Å; V317-L320 HydrophobicContact CG2-CD2 4.03Å; L320-I331 WeakPolarHBondContact O-CA 3.19Å; L320-V332 PolarHBondContact N-O 3.34Å; L320-V332 PolarHBondContact O-N 3.36Å
321	V	98.5	Very high	96.9	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.2	168.1	-176.4	0	0	0	0	108.1	P249 L257 I260 V296 A297 T298 C299 V323 V328	P249-V321 HydrophobicContact CB-CG1 4.39Å; P249-V321 HydrophobicContact CG-CG1 4.25Å; P249-V321 HydrophobicContact CG-CG2 4.23Å; L257-V321 HydrophobicContact CD1-CG1 4.32Å; L257-V321 HydrophobicContact CD2-CB 3.93Å; L257-V321 HydrophobicContact CD2-CG1 3.79Å; L257-V321 HydrophobicContact CD2-CG2 4.43Å; I260-V321 HydrophobicContact CD1-CG2 3.98Å; V296-V321 HydrophobicContact CG1-CB 4.19Å; V296-V321 HydrophobicContact CG1-CG2 3.61Å; A297-V321 PolarHBondContact O-N 3.5Å; T298-V321 CarbonylContact C-O 3.59Å; T298-V321 WeakPolarHBondContact CA-O 3.4Å; T298-V321 VanDerWaalsContact CB-O 3.32Å; T298-V321 WeakPolarHBondContact CB-O 3.46Å; T298-V321 HydrophobicContact CG2-CB 4.39Å; C299-V321 PolarHBondContact N-O 2.92Å; V321-V323 HydrophobicContact CG1-CG1 4.02Å; V321-V328 HydrophobicContact CG1-CB 4.43Å; V321-V328 HydrophobicContact CG1-CG1 3.86Å; V321-V328 HydrophobicContact CG1-CG2 4.04Å
322	V	98.5	Very high	96.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	125.2	176.7	-170.2	0	0	0	0	107.8	L213 M221 C299 L301 L329 G330 V332	L213-V322 HydrophobicContact CD2-CG1 4.07Å; L213-V322 HydrophobicContact CD2-CG2 3.82Å; M221-V322 HydrophobicContact CE-CG2 4Å; M221-V322 HydrophobicContact SD-CB 4.31Å; M221-V322 HydrophobicContact SD-CG1 4.32Å; M221-V322 HydrophobicContact SD-CG2 3.96Å; C299-V322 CarbonylContact O-C 3.51Å; C299-V322 WeakPolarHBondContact O-CA 3.43Å; L301-V322 HydrophobicContact CD2-CG1 3.89Å; L301-V322 HydrophobicContact CG-CG1 4.03Å; V322-L329 HydrophobicContact CG1-CB 4.32Å; V322-L329 PolarHBondContact O-N 2.85Å; V322-G330 PolarHBondContact N-O 3.27Å; V322-G330 PolarHBondContact O-N 2.94Å; V322-V332 HydrophobicContact CG2-CG2 3.82Å
323	V	97.9	Very high	96.9	Very high	11 Å²	11	42.2 Å²	42.2	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	154.5	-176.2	-60.9	0	0	0	0	112.3	L257 T298 C299 V321 K327	L257-V323 HydrophobicContact CD2-CG1 3.7Å; T298-V323 HydrophobicContact CG2-CG1 3.97Å; T298-V323 HydrophobicContact CG2-CG2 4.18Å; C299-V323 PolarHBondContact O-N 3.32Å; V321-V323 HydrophobicContact CG1-CG1 4.02Å; V323-K327 CarbonylContact C-O 3.54Å; V323-K327 WeakPolarHBondContact CA-O 3.49Å; V323-K327 WeakPolarHBondContact CB-O 3.39Å
324	N	96.7	Very high	96.9	Very high	84 Å²	84	41.2 Å²	41.2	45%	0.449	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	126.3	162.9	-179.5	22.3	0	0	0	107.8	N326 K327 L329	N324-N326 PolarHBondContact O-N 3.01Å; N324-N326 VanDerWaalsContact O-N 3.16Å; N324-K327 PolarHBondContact N-O 2.78Å; N324-K327 WeakPolarHBondContact O-CB 3.47Å; N324-K327 PolarHBondContact O-N 3.28Å; N324-L329 HydrophobicContact CB-CD1 3.47Å; N324-L329 VanDerWaalsContact CB-CD1 3.47Å; N324-L329 HydrophobicContact CB-CD2 4.44Å; N324-L329 HydrophobicContact CB-CG 4.04Å
325	D	94.7	Very high	96.9	Very high	134 Å²	134	36.2 Å²	36.2	72%	0.717	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.6	43.5	-171.4	-59.1	-38.5	0	0	0	112.7	Q256 K327	Q256-D325 PolarHBondContact OE1-O 3.21Å; Q256-D325 VanDerWaalsContact OE1-O 3.06Å; D325-K327 PolarHBondContact O-N 3.27Å
326	N	96	Very high	96.9	Very high	72 Å²	72	34.9 Å²	34.9	39%	0.385	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	6.6	-176.7	-165.7	58.5	0	0	0	116.2	Q256 L257 N324	Q256-N326 VanDerWaalsContact OE1-C 3.27Å; Q256-N326 VanDerWaalsContact OE1-CB 3.22Å; Q256-N326 PolarHBondContact OE1-ND2 2.75Å; Q256-N326 PolarHBondContact OE1-O 2.88Å; L257-N326 WeakPolarHBondContact CB-O 3.31Å; L257-N326 PolarHBondContact N-ND2 3.01Å; L257-N326 PolarHBondContact N-O 3Å; L257-N326 PolarHBondContact O-ND2 2.94Å; N324-N326 PolarHBondContact O-N 3.01Å; N324-N326 VanDerWaalsContact O-N 3.16Å
327	K	97.3	Very high	97.1	Very high	113 Å²	113	33.9 Å²	33.9	49%	0.491	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	138.8	167.5	-65.1	-174.8	175.6	-179.7	0	111.1	V323 N324 D325 L329	V323-K327 CarbonylContact C-O 3.54Å; V323-K327 WeakPolarHBondContact CA-O 3.49Å; V323-K327 WeakPolarHBondContact CB-O 3.39Å; N324-K327 PolarHBondContact N-O 2.78Å; N324-K327 WeakPolarHBondContact O-CB 3.47Å; N324-K327 PolarHBondContact O-N 3.28Å; D325-K327 PolarHBondContact O-N 3.27Å; K327-L329 PolarHBondContact O-N 3.25Å
328	V	97.9	Very high	97.2	Very high	30 Å²	30	31.7 Å²	31.7	18%	0.182	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	120.2	-179.9	-178.9	0	0	0	0	110.6	V224 V226 P249 V251 L257 V321	V224-V328 HydrophobicContact CG1-CG1 3.9Å; V226-V328 HydrophobicContact CG1-CB 4.14Å; V226-V328 HydrophobicContact CG1-CG1 3.9Å; V226-V328 HydrophobicContact CG1-CG2 4.39Å; P249-V328 HydrophobicContact CB-CG1 4.21Å; P249-V328 HydrophobicContact CB-CG2 3.9Å; P249-V328 HydrophobicContact CG-CG1 4.1Å; V251-V328 HydrophobicContact CG1-CG2 3.99Å; L257-V328 HydrophobicContact CB-CG2 3.98Å; L257-V328 HydrophobicContact CD1-CG2 3.84Å; L257-V328 HydrophobicContact CG-CG2 4.37Å; V321-V328 HydrophobicContact CG1-CB 4.43Å; V321-V328 HydrophobicContact CG1-CG1 3.86Å; V321-V328 HydrophobicContact CG1-CG2 4.04Å
329	L	97	Very high	97.2	Very high	60 Å²	60	32.2 Å²	32.2	31%	0.314	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-33.9	173	-61.1	-173.6	0	0	0	112.6	M221 L301 V322 N324 K327	M221-L329 CarbonylContact C-O 3.49Å; M221-L329 VanDerWaalsContact O-O 3.08Å; L301-L329 HydrophobicContact CD1-CD1 3.76Å; L301-L329 HydrophobicContact CG-CD1 4.18Å; V322-L329 HydrophobicContact CG1-CB 4.32Å; V322-L329 PolarHBondContact O-N 2.85Å; N324-L329 HydrophobicContact CB-CD1 3.47Å; N324-L329 VanDerWaalsContact CB-CD1 3.47Å; N324-L329 HydrophobicContact CB-CD2 4.44Å; N324-L329 HydrophobicContact CB-CG 4.04Å; K327-L329 PolarHBondContact O-N 3.25Å
330	G	97.5	Very high	97.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	176.6	-164.5	0	0	0	0	0	114.1	S220 V322	S220-G330 CarbonylContact O-C 3.48Å; S220-G330 WeakPolarHBondContact O-CA 3.49Å; V322-G330 PolarHBondContact N-O 3.27Å; V322-G330 PolarHBondContact O-N 2.94Å
331	I	97.8	Very high	96.9	Very high	21 Å²	21	34 Å²	34	11%	0.108	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	132.8	170.7	-63	179.4	0	0	0	109.1	G219 S220 V224 P249 R319 L320	G219-I331 CarbonylContact C-O 3.59Å; G219-I331 WeakPolarHBondContact CA-O 3.45Å; S220-I331 PolarHBondContact N-O 3.46Å; S220-I331 PolarHBondContact O-N 3.15Å; V224-I331 HydrophobicContact CG1-CD1 3.81Å; V224-I331 HydrophobicContact CG1-CG1 3.91Å; P249-I331 HydrophobicContact CG-CD1 3.74Å; P249-I331 HydrophobicContact CG-CG1 4.22Å; R319-I331 HydrophobicContact CB-CG2 3.97Å; R319-I331 HydrophobicContact CG-CG2 4.09Å; L320-I331 WeakPolarHBondContact O-CA 3.19Å
332	V	98	Very high	96.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.7	170.8	175.9	0	0	0	0	108.9	L213 V218 M221 I308 R319 L320 V322 I337	L213-V332 HydrophobicContact CD1-CG2 3.92Å; L213-V332 HydrophobicContact CD2-CG2 3.9Å; V218-V332 HydrophobicContact CG1-CG1 3.94Å; M221-V332 HydrophobicContact CE-CG2 4.13Å; I308-V332 HydrophobicContact CG2-CG1 4.16Å; R319-V332 CarbonylContact C-O 3.5Å; R319-V332 WeakPolarHBondContact CA-O 3.14Å; R319-V332 VanDerWaalsContact CB-O 3.31Å; R319-V332 WeakPolarHBondContact CB-O 3.38Å; L320-V332 PolarHBondContact N-O 3.34Å; L320-V332 PolarHBondContact O-N 3.36Å; V322-V332 HydrophobicContact CG2-CG2 3.82Å; V332-I337 HydrophobicContact CG1-CD1 3.96Å; V332-I337 HydrophobicContact CG1-CG1 3.7Å
333	S	97.4	Very high	95.8	Very high	13 Å²	13	37.6 Å²	37.6	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	162.3	178.5	79.3	0	0	0	0	113	S335 D336 I337	S333-S335 PolarHBondContact O-N 3.32Å; S333-S335 PolarHBondContact OG-N 2.97Å; S333-D336 VanDerWaalsContact CB-OD2 3.28Å; S333-D336 WeakPolarHBondContact CB-OD2 3.4Å; S333-D336 PolarHBondContact N-OD2 3.08Å; S333-D336 PolarHBondContact O-N 3.35Å; S333-D336 VanDerWaalsContact OG-CG 3.22Å; S333-D336 PolarHBondContact OG-N 3.21Å; S333-D336 PolarHBondContact OG-OD2 3.43Å; S333-I337 PolarHBondContact O-N 3.21Å
334	L	97.6	Very high	94.2	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-55.2	-33.7	171.3	-69.7	172.8	0	0	0	113	H189 K190 L193 I312 H318 D336 L338	H189-L334 HydrophobicContact CB-CB 3.8Å; H189-L334 HydrophobicContact CB-CD1 4.1Å; K190-L334 HydrophobicContact CB-CD1 3.71Å; K190-L334 HydrophobicContact CG-CD1 4.4Å; L193-L334 HydrophobicContact CB-CD2 4.3Å; L193-L334 HydrophobicContact CD2-CD2 3.29Å; L193-L334 HydrophobicContact CG-CD2 4.42Å; I312-L334 HydrophobicContact CD1-CD2 3.68Å; I312-L334 HydrophobicContact CD1-CG 3.9Å; I312-L334 HydrophobicContact CG1-CD2 4.07Å; I312-L334 HydrophobicContact CG2-CD2 4.14Å; H318-L334 HydrophobicContact CB-CD1 4.36Å; H318-L334 WeakPolarHBondContact O-CG 3.42Å; H318-L334 PolarHBondContact O-N 3.39Å; L334-D336 VanDerWaalsContact C-N 3.33Å; L334-L338 WeakPolarHBondContact O-CB 3.5Å; L334-L338 VanDerWaalsContact O-CG 3.27Å; L334-L338 WeakPolarHBondContact O-CG 3.16Å; L334-L338 PolarHBondContact O-N 3.22Å
335	S	96.4	Very high	92.2	Very high	16 Å²	16	41.5 Å²	41.5	11%	0.112	23%	0.227	C	C	.	.	H	α-helix	trans	-67.7	-35.5	176.3	-60.4	0	0	0	0	111.7	L166 H189 S333 R339	L166-S335 WeakPolarHBondContact CD2-O 3.49Å; H189-S335 PolarHBondContact CE1-OG 3.36Å; H189-S335 PolarHBondContact NE2-OG 3.08Å; S333-S335 PolarHBondContact O-N 3.32Å; S333-S335 PolarHBondContact OG-N 2.97Å; S335-R339 VanDerWaalsContact O-CB 3.23Å; S335-R339 WeakPolarHBondContact O-CB 3.46Å; S335-R339 PolarHBondContact O-N 3.37Å
336	D	96.7	Very high	90.1	Very high	28 Å²	28	39.1 Å²	39.1	15%	0.15	22%	0.217	C	C	.	.	H	α-helix	trans	-71.9	-43.5	178.9	-53.1	-45.5	0	0	0	111.2	V218 S333 L334 R339 F340	V218-D336 HydrophobicContact CG1-CB 4.14Å; S333-D336 VanDerWaalsContact CB-OD2 3.28Å; S333-D336 WeakPolarHBondContact CB-OD2 3.4Å; S333-D336 PolarHBondContact N-OD2 3.08Å; S333-D336 PolarHBondContact O-N 3.35Å; S333-D336 VanDerWaalsContact OG-CG 3.22Å; S333-D336 PolarHBondContact OG-N 3.21Å; S333-D336 PolarHBondContact OG-OD2 3.43Å; L334-D336 VanDerWaalsContact C-N 3.33Å; D336-R339 PolarHBondContact O-N 3.21Å; D336-R339 IonicContact OD1-NH1 3.64Å; D336-R339 PolarHBondContact OD1-NH1 2.98Å; D336-F340 WeakPolarHBondContact O-CB 3.49Å; D336-F340 PolarHBondContact O-N 3.06Å
337	I	97.7	Very high	87.5	Confident	3 Å²	3	42 Å²	42	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-58.3	-55.4	173	-65	171.7	0	0	0	109.5	L193 V218 I308 V309 I312 V332 S333 R339 F340 L341	L193-I337 HydrophobicContact CD1-CG2 4Å; L193-I337 HydrophobicContact CD2-CG2 4.22Å; V218-I337 HydrophobicContact CG1-CG1 4.46Å; I308-I337 HydrophobicContact CG2-CD1 3.94Å; I308-I337 HydrophobicContact CG2-CG1 4.48Å; V309-I337 HydrophobicContact CG2-CG2 3.86Å; I312-I337 HydrophobicContact CD1-CD1 3.82Å; I312-I337 HydrophobicContact CG2-CD1 3.83Å; V332-I337 HydrophobicContact CG1-CD1 3.96Å; V332-I337 HydrophobicContact CG1-CG1 3.7Å; S333-I337 PolarHBondContact O-N 3.21Å; I337-R339 VanDerWaalsContact C-N 3.33Å; I337-R339 PolarHBondContact O-N 2.79Å; I337-F340 WeakPolarHBondContact O-CB 3.35Å; I337-F340 PolarHBondContact O-N 3.3Å; I337-F340 VanDerWaalsContact O-N 3.1Å; I337-L341 HydrophobicContact CG2-CD1 3.8Å; I337-L341 HydrophobicContact CG2-CG 4.07Å; I337-L341 VanDerWaalsContact O-CG 3.3Å; I337-L341 WeakPolarHBondContact O-CG 2.97Å; I337-L341 PolarHBondContact O-N 2.93Å
338	L	97.1	Very high	84.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-41.9	-177.2	-74.9	168.5	0	0	0	112.3	V162 H189 V192 L193 L334 F340 L341 I342	V162-L338 HydrophobicContact CG1-CB 3.95Å; V162-L338 HydrophobicContact CG2-CD2 4.23Å; H189-L338 HydrophobicContact CB-CD1 3.75Å; V192-L338 HydrophobicContact CG1-CD2 4.09Å; L193-L338 HydrophobicContact CB-CD2 4.33Å; L193-L338 HydrophobicContact CD1-CD2 4.21Å; L334-L338 WeakPolarHBondContact O-CB 3.5Å; L334-L338 VanDerWaalsContact O-CG 3.27Å; L334-L338 WeakPolarHBondContact O-CG 3.16Å; L334-L338 PolarHBondContact O-N 3.22Å; L338-F340 VanDerWaalsContact C-N 3.31Å; L338-F340 PolarHBondContact O-N 2.99Å; L338-L341 PolarHBondContact O-N 2.8Å; L338-I342 WeakPolarHBondContact O-CG1 3.27Å; L338-I342 PolarHBondContact O-N 3.39Å
339	R	95.7	Very high	81.3	Confident	61 Å²	61	51.5 Å²	51.5	23%	0.23	28%	0.278	C	S	.	.	H	α-helix	trans	-58	-44	175.2	-174.4	-178.3	-59.1	103.7	0.7	111.9	L166 S335 D336 I337 A343 E344	L166-R339 HydrophobicContact CD1-CB 3.77Å; L166-R339 HydrophobicContact CD1-CG 4.16Å; L166-R339 HydrophobicContact CD2-CB 4.18Å; S335-R339 VanDerWaalsContact O-CB 3.23Å; S335-R339 WeakPolarHBondContact O-CB 3.46Å; S335-R339 PolarHBondContact O-N 3.37Å; D336-R339 PolarHBondContact O-N 3.21Å; D336-R339 IonicContact OD1-NH1 3.64Å; D336-R339 PolarHBondContact OD1-NH1 2.98Å; I337-R339 VanDerWaalsContact C-N 3.33Å; I337-R339 PolarHBondContact O-N 2.79Å; R339-A343 PolarHBondContact O-N 3.19Å; R339-E344 HydrophobicContact CG-CB 4.44Å; R339-E344 PolarHBondContact O-N 3.22Å
340	F	95.6	Very high	78.2	Confident	58 Å²	58	56.1 Å²	56.1	25%	0.254	30%	0.301	S	S	.	.	H	α-helix	trans	-65.4	-47.4	177.7	-176.1	-91	0	0	0	111.8	F208 V216 V218 L305 D336 I337 L338 I342 A343	F208-F340 HydrophobicContact CB-CE1 3.95Å; F208-F340 HydrophobicContact CB-CZ 4.08Å; F208-F340 AromaticContact CD2-CE1 3.75Å; F208-F340 HydrophobicContact CD2-CE1 3.75Å; F208-F340 HydrophobicContact CE2-CE1 4.45Å; F208-F340 AromaticContact CG-CE1 3.89Å; F208-F340 HydrophobicContact CG-CE1 3.89Å; F208-F340 HydrophobicContact CG-CZ 4.45Å; V216-F340 HydrophobicContact CB-CE2 3.96Å; V216-F340 HydrophobicContact CB-CZ 4.15Å; V216-F340 HydrophobicContact CG1-CE2 4.18Å; V216-F340 HydrophobicContact CG1-CZ 3.92Å; V218-F340 HydrophobicContact CG2-CB 3.71Å; V218-F340 HydrophobicContact CG2-CD1 4.11Å; V218-F340 HydrophobicContact CG2-CD2 3.25Å; V218-F340 HydrophobicContact CG2-CE2 3.84Å; V218-F340 HydrophobicContact CG2-CG 3.4Å; V218-F340 VanDerWaalsContact CG2-CG 3.4Å; V218-F340 HydrophobicContact CG2-CZ 4.49Å; L305-F340 HydrophobicContact CD1-CD1 3.69Å; L305-F340 HydrophobicContact CD1-CE1 3.13Å; L305-F340 HydrophobicContact CD1-CZ 3.66Å; D336-F340 WeakPolarHBondContact O-CB 3.49Å; D336-F340 PolarHBondContact O-N 3.06Å; I337-F340 WeakPolarHBondContact O-CB 3.35Å; I337-F340 PolarHBondContact O-N 3.3Å; I337-F340 VanDerWaalsContact O-N 3.1Å; L338-F340 VanDerWaalsContact C-N 3.31Å; L338-F340 PolarHBondContact O-N 2.99Å; F340-I342 PolarHBondContact O-N 3.03Å; F340-A343 PolarHBondContact O-N 3.35Å
341	L	93.5	Very high	75.2	Confident	5 Å²	5	63.2 Å²	63.2	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-63.3	-26.4	-177.3	-63.3	-176.5	0	0	0	113.5	Y50 L193 L196 F208 M209 I337 L338	Y50-L341 HydrophobicContact CD2-CB 4.48Å; Y50-L341 HydrophobicContact CD2-CD1 4.33Å; Y50-L341 HydrophobicContact CD2-CD2 3.96Å; Y50-L341 HydrophobicContact CD2-CG 4.46Å; Y50-L341 HydrophobicContact CE2-CD2 4.22Å; L193-L341 HydrophobicContact CD1-CD1 3.83Å; L196-L341 HydrophobicContact CD2-CD1 3.76Å; F208-L341 HydrophobicContact CD2-CD2 4.46Å; F208-L341 HydrophobicContact CE2-CD2 3.64Å; F208-L341 HydrophobicContact CZ-CD2 4.27Å; M209-L341 HydrophobicContact SD-CD2 4.34Å; I337-L341 HydrophobicContact CG2-CD1 3.8Å; I337-L341 HydrophobicContact CG2-CG 4.07Å; I337-L341 VanDerWaalsContact O-CG 3.3Å; I337-L341 WeakPolarHBondContact O-CG 2.97Å; I337-L341 PolarHBondContact O-N 2.93Å; L338-L341 PolarHBondContact O-N 2.8Å
342	I	90.8	Very high	72.2	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.005	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	4	175.5	69.8	165.2	0	0	0	113.8	K51 L54 L159 V162 R163 L166 L338 F340 E344	K51-I342 WeakPolarHBondContact CD-O 3Å; K51-I342 PolarHBondContact NZ-O 3.15Å; L54-I342 HydrophobicContact CD1-CG2 3.75Å; L159-I342 HydrophobicContact CD1-CB 3.88Å; L159-I342 HydrophobicContact CD1-CD1 4Å; L159-I342 HydrophobicContact CD1-CG2 3.74Å; V162-I342 HydrophobicContact CB-CD1 4.42Å; V162-I342 HydrophobicContact CG1-CD1 3.67Å; V162-I342 HydrophobicContact CG1-CG1 4.41Å; V162-I342 HydrophobicContact CG1-CG2 4.41Å; R163-I342 HydrophobicContact CG-CD1 4.18Å; L166-I342 HydrophobicContact CD1-CD1 4.07Å; L338-I342 WeakPolarHBondContact O-CG1 3.27Å; L338-I342 PolarHBondContact O-N 3.39Å; F340-I342 PolarHBondContact O-N 3.03Å; I342-E344 VanDerWaalsContact C-N 3.3Å; I342-E344 HydrophobicContact CD1-CB 4Å; I342-E344 WeakPolarHBondContact CD1-OE2 3.3Å; I342-E344 HydrophobicContact CG1-CB 3.94Å; I342-E344 PolarHBondContact O-N 2.76Å
343	A	81.8	Confident	69.3	Low	76 Å²	76	78 Å²	78	63%	0.628	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	45.8	-178.4	0	0	0	0	0	113.1	R339 F340	R339-A343 PolarHBondContact O-N 3.19Å; F340-A343 PolarHBondContact O-N 3.35Å
344	E	65.5	Low	67.8	Low	67 Å²	67	81.2 Å²	81.2	31%	0.313	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-91.6	121.3	178.5	-165.2	162.2	-136.1	0	0	109.9	R163 R339 I342 T346	R163-E344 IonicContact NE-OE1 3.43Å; R339-E344 HydrophobicContact CG-CB 4.44Å; R339-E344 PolarHBondContact O-N 3.22Å; I342-E344 VanDerWaalsContact C-N 3.3Å; I342-E344 HydrophobicContact CD1-CB 4Å; I342-E344 WeakPolarHBondContact CD1-OE2 3.3Å; I342-E344 HydrophobicContact CG1-CB 3.94Å; I342-E344 PolarHBondContact O-N 2.76Å; E344-T346 PolarHBondContact O-N 2.72Å
345	P	53.9	Low	66.3	Low	111 Å²	111	85.3 Å²	85.3	72%	0.721	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-60.8	136.3	-177.8	19	-27.4	0	0	0	111.1	V347	P345-V347 PolarHBondContact O-N 3.15Å
346	T	50.7	Low	64.6	Low	83 Å²	83	89.2 Å²	89.2	51%	0.509	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-64.7	119.8	172.8	-44.9	0	0	0	0	108.2	E344 Q348	E344-T346 PolarHBondContact O-N 2.72Å; T346-Q348 PolarHBondContact O-N 2.94Å
347	V	42.6	Very low	62.7	Low	134 Å²	134	92.8 Å²	92.8	81%	0.812	50%	0.503	S	S	*	.			trans	-67.3	86.3	166.4	-175.6	0	0	0	0	107	P345 K349	P345-V347 PolarHBondContact O-N 3.15Å; V347-K349 PolarHBondContact O-N 3.25Å
348	Q	33.6	Very low	60.5	Low	152 Å²	152	98.4 Å²	98.4	71%	0.71	53%	0.534	S	S	*	.			trans	-66.1	116	164.1	-74.7	-179.6	-8.9	0	0	105.9	T346 I350	T346-Q348 PolarHBondContact O-N 2.94Å; Q348-I350 PolarHBondContact O-N 3.39Å
349	K	30.9	Very low	58.1	Low	189 Å²	189	104.9 Å²	104.9	82%	0.822	57%	0.569	S	S	*	*			trans	-58.1	107.7	165.6	-81.8	-174.7	173.5	-173.4	0	106	V347 I351	V347-K349 PolarHBondContact O-N 3.25Å; K349-I351 PolarHBondContact O-N 2.78Å
350	I	32.4	Very low	55.4	Low	157 Å²	157	108.1 Å²	108.1	81%	0.805	59%	0.594	S	S	*	*			trans	-61	106.9	163.7	-60.5	172.7	0	0	0	104.4	Q348 S352	Q348-I350 PolarHBondContact O-N 3.39Å; I350-S352 VanDerWaalsContact C-N 3.28Å; I350-S352 PolarHBondContact O-N 2.68Å
351	I	34.2	Very low	52.3	Low	149 Å²	149	111.9 Å²	111.9	76%	0.764	62%	0.62	S	S	*	*			trans	-70.1	98.4	166.8	-60.5	173.3	0	0	0	103.9	K349 N353	K349-I351 PolarHBondContact O-N 2.78Å; I351-N353 PolarHBondContact O-N 3.43Å
352	S	33.9	Very low	48.9	Very low	104 Å²	104	120.8 Å²	120.8	73%	0.727	67%	0.669	S	S	*	*			trans	-67.6	116.9	165.9	48.2	0	0	0	0	107.3	I350	I350-S352 VanDerWaalsContact C-N 3.28Å; I350-S352 PolarHBondContact O-N 2.68Å
353	N	36.6	Very low	45.1	Very low	227 Å²	227	131.7 Å²	131.7	100%	1.214	73%	0.73	S	S	*	*			trans	-55.6	0	171	-75.8	-19.9	0	0	0	112.2	I351	I351-N353 PolarHBondContact O-N 3.43Å

Retrieved 353 of 353 residues in 1424.9 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).