A0A0D9S2F1_CHLSB Loading...

Caspase-3

AlphaFold DB , UniProt , Accession A0A0D9S2F1, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene CASP3, Length 277 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.7	Very low	33.2	Very low	250 Å²	250	149.3 Å²	149.3	100%	1.232	80%	0.795	S	S	*	*				0	100.1	0	-83.1	169.8	170.2	0	0	105.7
2	E	35.4	Very low	33	Very low	183 Å²	183	145.8 Å²	145.8	86%	0.855	79%	0.791	S	S	*	*			trans	-48	159.1	-176.3	-74.8	164.1	143.1	0	0	114
3	N	29.9	Very low	33.2	Very low	130 Å²	130	146.2 Å²	146.2	70%	0.695	79%	0.79	S	S	*	*			cis	-178.8	135.8	-22.2	-117	-4.5	0	0	0	104.6
4	T	33.2	Very low	32.9	Very low	108 Å²	108	149.7 Å²	149.7	66%	0.663	80%	0.795	S	S	*	*			trans	41.1	149.5	137.1	54.9	0	0	0	0	121.5
5	E	35.7	Very low	32.7	Very low	154 Å²	154	147.3 Å²	147.3	72%	0.72	79%	0.794	S	S	*	*			cis	179.1	155.2	-1.9	-107.8	176.8	175.3	0	0	107
6	N	32.3	Very low	32.6	Very low	141 Å²	141	149 Å²	149	75%	0.754	80%	0.802	S	S	*	*			trans	45.1	146.6	138	-53.8	-26.2	0	0	0	120.4
7	S	30.4	Very low	32.5	Very low	98 Å²	98	150.9 Å²	150.9	69%	0.685	81%	0.805	S	S	*	*			cis	173.6	148.2	38.3	100.6	0	0	0	0	110.9
8	V	30.6	Very low	32.8	Very low	142 Å²	142	148.3 Å²	148.3	86%	0.861	80%	0.798	S	S	*	*			trans	78.1	157.5	134.9	-169.4	0	0	0	0	120.7
9	D	32.2	Very low	32.6	Very low	143 Å²	143	151.3 Å²	151.3	77%	0.765	80%	0.802	S	S	*	*			trans	-112.5	172.8	-137.2	-151.1	-11.3	0	0	0	114.1
10	S	30.7	Very low	32.6	Very low	93 Å²	93	151.2 Å²	151.2	65%	0.65	80%	0.801	S	S	*	*			trans	76.3	120.1	151.9	74.7	0	0	0	0	122.3
11	K	34.2	Very low	32.6	Very low	200 Å²	200	151.5 Å²	151.5	87%	0.87	80%	0.801	S	S	*	*				171.9	122.8	113.1	-93	173.4	-178.7	175.5	0	115.7
12	S	31.3	Very low	32.4	Very low	107 Å²	107	147.9 Å²	147.9	75%	0.748	78%	0.781	S	S	*	*			trans	41.9	112.8	141.2	-68.8	0	0	0	0	124.6
13	I	34.7	Very low	32.2	Very low	152 Å²	152	142.5 Å²	142.5	78%	0.779	78%	0.775	S	S	*	*				34.4	125.9	113.9	-53.4	169.6	0	0	0	118.7
14	K	29.6	Very low	32.8	Very low	195 Å²	195	142 Å²	142	85%	0.848	78%	0.781	S	S	*	*				-166.6	132.1	120.8	-101.7	165.6	-170.2	-174.4	0	114.2
15	S	30.2	Very low	33.1	Very low	113 Å²	113	145.8 Å²	145.8	79%	0.79	79%	0.789	S	S	*	*			trans	-51.8	140.5	169.7	50.2	0	0	0	0	114
16	L	31.1	Very low	33.5	Very low	175 Å²	175	143.9 Å²	143.9	92%	0.916	79%	0.792	S	S	*	*			trans	-116.8	111.1	169.9	-85.7	149.7	0	0	0	110.1
17	E	30.9	Very low	34.2	Very low	182 Å²	182	143 Å²	143	85%	0.85	79%	0.792	S	S	*	*			trans	-126	167.7	149.9	-82.2	-168.5	169.4	0	0	106.8
18	P	37.2	Very low	35.1	Very low	104 Å²	104	145.6 Å²	145.6	68%	0.675	80%	0.798	S	S	*	*			cis	-128.6	166.7	-42.8	34.2	-18.8	0	0	0	110
19	K	29.7	Very low	36.2	Very low	204 Å²	204	143.7 Å²	143.7	89%	0.887	79%	0.791	S	S	*	*			trans	-133.8	112	159.8	-82.2	-169.9	179.5	176.7	0	112.1	I21	K19-I21 PolarHBondContact O-N 3.4Å
20	I	32.1	Very low	37.4	Very low	150 Å²	150	139.4 Å²	139.4	77%	0.769	78%	0.78	S	S	*	*			trans	-56.3	118.6	170.5	-65	156.4	0	0	0	108.9	H22	I20-H22 PolarHBondContact O-N 3.16Å
21	I	33.3	Very low	38.9	Very low	157 Å²	157	142.5 Å²	142.5	81%	0.805	79%	0.788	S	S	*	*			trans	-75.5	112.7	170.7	-61.1	172.3	0	0	0	106.7	K19 G23	K19-I21 PolarHBondContact O-N 3.4Å; I21-G23 PolarHBondContact O-N 3.34Å; I21-G23 VanDerWaalsContact O-N 3.16Å
22	H	35.3	Very low	40.8	Very low	174 Å²	174	138.4 Å²	138.4	81%	0.806	78%	0.784	S	S	*	*			trans	-60.8	114.5	166.8	-99.1	34.4	0	0	0	108.6	I20 S24	I20-H22 PolarHBondContact O-N 3.16Å; H22-S24 PolarHBondContact O-N 3.36Å; H22-S24 VanDerWaalsContact O-N 3.14Å
23	G	31.7	Very low	43.2	Very low	71 Å²	71	139.2 Å²	139.2	73%	0.732	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-54.6	117.3	171.5	0	0	0	0	0	109.9	I21 K25	I21-G23 PolarHBondContact O-N 3.34Å; I21-G23 VanDerWaalsContact O-N 3.16Å; G23-K25 PolarHBondContact O-N 3.14Å
24	S	42.2	Very low	45.8	Very low	119 Å²	119	137 Å²	137	83%	0.832	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-59.7	128.4	165.6	-176.1	0	0	0	0	107.9	H22 S26	H22-S24 PolarHBondContact O-N 3.36Å; H22-S24 VanDerWaalsContact O-N 3.14Å; S24-S26 PolarHBondContact O-N 3.08Å
25	K	39.8	Very low	48.9	Very low	188 Å²	188	132.2 Å²	132.2	82%	0.817	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-51	120.6	174.9	-67.3	176.4	176.7	179.6	0	108.7	G23 V27	G23-K25 PolarHBondContact O-N 3.14Å; K25-V27 PolarHBondContact O-N 2.98Å
26	S	43.3	Very low	52.2	Low	114 Å²	114	129.2 Å²	129.2	80%	0.797	73%	0.732	S	S	*	*			trans	-59.6	104.3	163.2	52	0	0	0	0	107.5	S24 D28	S24-S26 PolarHBondContact O-N 3.08Å; S26-D28 VanDerWaalsContact C-N 3.34Å; S26-D28 PolarHBondContact O-N 3.18Å; S26-D28 VanDerWaalsContact O-N 3.08Å
27	V	48.7	Very low	55.4	Low	122 Å²	122	121.5 Å²	121.5	74%	0.739	69%	0.691	S	S	*	*			trans	-70.9	102.2	164.2	-178.1	0	0	0	0	105	K25 S29	K25-V27 PolarHBondContact O-N 2.98Å; V27-S29 PolarHBondContact O-N 2.93Å
28	D	47.8	Very low	58.6	Low	153 Å²	153	118 Å²	118	82%	0.818	67%	0.673	S	S	*	*			trans	-66.8	73.3	164.9	-166.9	21.4	0	0	0	107.5	S26 G30	S26-D28 VanDerWaalsContact C-N 3.34Å; S26-D28 PolarHBondContact O-N 3.18Å; S26-D28 VanDerWaalsContact O-N 3.08Å; D28-G30 PolarHBondContact O-N 3.02Å
29	S	55.1	Low	61.5	Low	101 Å²	101	113.4 Å²	113.4	71%	0.706	64%	0.643	S	S	*	*			trans	-75.4	86.3	163.4	58.8	0	0	0	0	105.5	V27	V27-S29 PolarHBondContact O-N 2.93Å
30	G	57.4	Low	64.7	Low	53 Å²	53	107.3 Å²	107.3	55%	0.546	62%	0.62	S	S	.	*			trans	-45.9	147.5	173.2	0	0	0	0	0	110.8	D28 S32	D28-G30 PolarHBondContact O-N 3.02Å; G30-S32 PolarHBondContact O-N 2.83Å
31	I	62.1	Low	67.9	Low	159 Å²	159	103.9 Å²	103.9	82%	0.815	60%	0.598	S	S	*	*			trans	-47.6	107.9	-173.9	-60.5	166.7	0	0	0	110	L33	I31-L33 PolarHBondContact O-N 3.44Å
32	S	73.3	Confident	71	Confident	113 Å²	113	101.6 Å²	101.6	79%	0.79	59%	0.593	S	S	*	*			trans	-79.8	114.4	174.7	178.7	0	0	0	0	108.5	G30	G30-S32 PolarHBondContact O-N 2.83Å
33	L	80.9	Confident	74	Confident	125 Å²	125	97 Å²	97	65%	0.654	57%	0.572	S	S	*	*			trans	-88.9	118.7	171.5	-78.7	122.7	0	0	0	109.2	I31 N35	I31-L33 PolarHBondContact O-N 3.44Å; L33-N35 WeakPolarHBondContact CD2-ND2 3.3Å
34	D	89.9	Confident	77.2	Confident	106 Å²	106	94.3 Å²	94.3	57%	0.567	54%	0.541	S	S	*	.			trans	-101.7	43.9	179.4	-171.2	28.6	0	0	0	111.5	K271	D34-K271 VanDerWaalsContact O-CE 3.3Å; D34-K271 WeakPolarHBondContact O-CE 3.2Å; D34-K271 IonicContact OD1-NZ 3.67Å; D34-K271 PolarHBondContact OD1-NZ 3.3Å; D34-K271 IonicContact OD2-NZ 2.77Å; D34-K271 PolarHBondContact OD2-NZ 2.92Å
35	N	95.9	Very high	79.9	Confident	93 Å²	93	88.7 Å²	88.7	50%	0.497	50%	0.501	S	S	.	.			trans	-87.1	-16.5	-171.1	-65.2	-8.2	0	0	0	113.8	L33 K271 E272	L33-N35 WeakPolarHBondContact CD2-ND2 3.3Å; N35-K271 WeakPolarHBondContact O-CA 3.37Å; N35-K271 WeakPolarHBondContact O-CB 3.45Å; N35-E272 PolarHBondContact O-N 2.7Å
36	S	97.8	Very high	82.7	Confident	51 Å²	51	79.8 Å²	79.8	36%	0.357	46%	0.463	S	S	.	.	B	Isolated β-bridge	trans	-120.3	148.9	-177.5	59.9	0	0	0	0	111.7	E272	S36-E272 CarbonylContact C-O 3.55Å; S36-E272 VanDerWaalsContact CA-O 3.26Å; S36-E272 WeakPolarHBondContact CA-O 3.1Å
37	Y	98.4	Very high	85.4	Confident	12 Å²	12	74.3 Å²	74.3	5%	0.047	43%	0.425	C	S	.	.			trans	-60.2	143.4	173.1	-73	-73.8	0	0	0	111.3	M39 G153 P155 D192 L269 T270 K271 E272 L273	Y37-M39 PolarHBondContact O-N 2.67Å; Y37-M39 VanDerWaalsContact O-N 3.12Å; Y37-G153 WeakPolarHBondContact CE1-O 3.15Å; Y37-P155 HydrophobicContact CD1-CG 4.39Å; Y37-P155 HydrophobicContact CD2-CB 4.23Å; Y37-P155 HydrophobicContact CD2-CG 4.16Å; Y37-P155 HydrophobicContact CE2-CB 4.17Å; Y37-P155 HydrophobicContact CG-CG 4.05Å; Y37-D192 HydrophobicContact CE1-CB 4.34Å; Y37-D192 WeakPolarHBondContact OH-CB 3.39Å; Y37-D192 PolarHBondContact OH-OD1 3.32Å; Y37-L269 HydrophobicContact CE2-CB 4.07Å; Y37-L269 HydrophobicContact CE2-CD1 4.35Å; Y37-L269 HydrophobicContact CE2-CD2 4.04Å; Y37-L269 HydrophobicContact CE2-CG 4.37Å; Y37-L269 WeakPolarHBondContact OH-CA 3.4Å; Y37-T270 PolarHBondContact OH-N 2.8Å; Y37-T270 PolarHBondContact OH-OG1 3.17Å; Y37-K271 HydrophobicContact CD1-CB 4.22Å; Y37-K271 HydrophobicContact CD1-CD 4.25Å; Y37-K271 HydrophobicContact CD2-CB 3.72Å; Y37-K271 HydrophobicContact CE1-CB 4.24Å; Y37-K271 HydrophobicContact CE1-CD 4.5Å; Y37-K271 HydrophobicContact CE2-CB 3.74Å; Y37-K271 WeakPolarHBondContact CE2-O 3.36Å; Y37-K271 HydrophobicContact CG-CB 3.98Å; Y37-E272 WeakPolarHBondContact CD2-O 3.39Å; Y37-E272 PolarHBondContact N-O 3.18Å; Y37-L273 HydrophobicContact CD2-CB 4.24Å
38	K	98.1	Very high	87.8	Confident	110 Å²	110	68.6 Å²	68.6	48%	0.478	39%	0.39	S	S	.	.			trans	-71.6	103.3	172.8	-175.9	178.9	173.6	62.5	0	109.4	D40 Y41	K38-D40 VanDerWaalsContact CE-OD1 3.23Å; K38-D40 WeakPolarHBondContact CE-OD1 3.42Å; K38-D40 WeakPolarHBondContact CG-OD1 3.19Å; K38-D40 IonicContact NZ-OD1 3.59Å; K38-D40 PolarHBondContact NZ-OD1 3.42Å; K38-D40 IonicContact NZ-OD2 2.98Å; K38-D40 PolarHBondContact NZ-OD2 3.08Å; K38-Y41 HydrophobicContact CB-CE2 3.95Å; K38-Y41 HydrophobicContact CD-CD2 4.28Å; K38-Y41 HydrophobicContact CD-CE2 3.67Å; K38-Y41 HydrophobicContact CG-CD2 4.08Å; K38-Y41 HydrophobicContact CG-CE2 3.72Å; K38-Y41 WeakPolarHBondContact O-CD2 3.34Å; K38-Y41 WeakPolarHBondContact O-CE2 3.26Å
39	M	98.4	Very high	90.2	Very high	7 Å²	7	61.3 Å²	61.3	3%	0.034	35%	0.351	C	S	.	.			trans	-107.5	7.4	-175.1	-64.8	-64.4	-64.7	0	0	114.3	Y37 M44 S112 P155 Y274 H277	Y37-M39 PolarHBondContact O-N 2.67Å; Y37-M39 VanDerWaalsContact O-N 3.12Å; M39-M44 HydrophobicContact CE-CE 3.43Å; M39-M44 VanDerWaalsContact CE-CE 3.43Å; M39-M44 HydrophobicContact CE-SD 4.04Å; M39-S112 WeakPolarHBondContact CA-OG 3.44Å; M39-S112 PolarHBondContact O-OG 3.32Å; M39-P155 HydrophobicContact SD-CG 4.02Å; M39-Y274 WeakPolarHBondContact CG-O 3.36Å; M39-H277 PolarHBondContact O-ND1 2.76Å
40	D	98.1	Very high	92.3	Very high	76 Å²	76	56.6 Å²	56.6	41%	0.406	32%	0.318	S	S	.	.			trans	-100.3	25.9	178.6	67.9	-33.6	0	0	0	113.2	K38 H277	K38-D40 VanDerWaalsContact CE-OD1 3.23Å; K38-D40 WeakPolarHBondContact CE-OD1 3.42Å; K38-D40 WeakPolarHBondContact CG-OD1 3.19Å; K38-D40 IonicContact NZ-OD1 3.59Å; K38-D40 PolarHBondContact NZ-OD1 3.42Å; K38-D40 IonicContact NZ-OD2 2.98Å; K38-D40 PolarHBondContact NZ-OD2 3.08Å; D40-H277 HydrophobicContact CB-CB 3.95Å
41	Y	98.5	Very high	94.3	Very high	77 Å²	77	54.2 Å²	54.2	30%	0.302	29%	0.292	S	S	.	.	S	Bend	trans	-64.5	162.9	165.2	-74.4	-100.7	0	0	0	110.2	K38 E43 S109 K110 S112	K38-Y41 HydrophobicContact CB-CE2 3.95Å; K38-Y41 HydrophobicContact CD-CD2 4.28Å; K38-Y41 HydrophobicContact CD-CE2 3.67Å; K38-Y41 HydrophobicContact CG-CD2 4.08Å; K38-Y41 HydrophobicContact CG-CE2 3.72Å; K38-Y41 WeakPolarHBondContact O-CD2 3.34Å; K38-Y41 WeakPolarHBondContact O-CE2 3.26Å; Y41-E43 PolarHBondContact O-N 3.43Å; Y41-S109 WeakPolarHBondContact CD1-O 3.24Å; Y41-S109 WeakPolarHBondContact CE1-O 3.22Å; Y41-K110 WeakPolarHBondContact CB-O 3.46Å; Y41-S112 WeakPolarHBondContact CB-OG 3.13Å; Y41-S112 PolarHBondContact N-OG 2.82Å
42	P	98.6	Very high	96	Very high	109 Å²	109	46.6 Å²	46.6	71%	0.708	25%	0.253	S	S	*	.	S	Bend	trans	-53.3	-28.7	-179.6	-29.4	36.1	0	0	0	115.2	K110	P42-K110 WeakPolarHBondContact CD-O 2.88Å; P42-K110 HydrophobicContact CG-CB 4.4Å
43	E	98.6	Very high	97.2	Very high	79 Å²	79	43.9 Å²	43.9	37%	0.369	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.2	177.8	-65.9	166.6	-147.6	0	0	110.3	Y41 G45 K110 R111 S112	Y41-E43 PolarHBondContact O-N 3.43Å; E43-G45 VanDerWaalsContact C-N 3.28Å; E43-G45 PolarHBondContact O-N 2.94Å; E43-K110 PolarHBondContact N-O 2.76Å; E43-R111 HydrophobicContact CB-CG 3.98Å; E43-R111 CarbonylContact O-C 3.59Å; E43-R111 VanDerWaalsContact O-CA 3.25Å; E43-R111 WeakPolarHBondContact O-CA 3.47Å; E43-R111 WeakPolarHBondContact OE2-CG 3.43Å; E43-R111 IonicContact OE2-NE 2.58Å; E43-R111 PolarHBondContact OE2-NE 3.2Å; E43-R111 VanDerWaalsContact OE2-NE 3.14Å; E43-S112 PolarHBondContact O-N 2.89Å; E43-S112 PolarHBondContact O-OG 3.05Å
44	M	98.6	Very high	98.1	Very high	14 Å²	14	41.6 Å²	41.6	7%	0.069	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	-38.6	170.6	-74.8	-66.3	-73.7	0	0	111.7	M39 L81 K82 Y83 S112 S113 F275	M39-M44 HydrophobicContact CE-CE 3.43Å; M39-M44 VanDerWaalsContact CE-CE 3.43Å; M39-M44 HydrophobicContact CE-SD 4.04Å; M44-L81 WeakPolarHBondContact CG-O 3.49Å; M44-K82 HydrophobicContact CG-CB 4.03Å; M44-Y83 HydrophobicContact CB-CD1 4.32Å; M44-Y83 HydrophobicContact CB-CD2 4.17Å; M44-Y83 HydrophobicContact CB-CE1 4.27Å; M44-Y83 HydrophobicContact CB-CE2 4.16Å; M44-Y83 HydrophobicContact CB-CG 4.27Å; M44-Y83 HydrophobicContact CE-CE2 3.86Å; M44-S112 PolarHBondContact O-N 2.71Å; M44-S113 PolarHBondContact O-N 3.29Å; M44-S113 PolarHBondContact O-OG 2.87Å; M44-F275 HydrophobicContact CE-CB 4.32Å; M44-F275 HydrophobicContact CE-CD1 3.9Å
45	G	98.8	Very high	98.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.9	-168	176.8	0	0	0	0	0	113.8	E43 Y83 E84 S113	E43-G45 VanDerWaalsContact C-N 3.28Å; E43-G45 PolarHBondContact O-N 2.94Å; G45-Y83 WeakPolarHBondContact O-CD1 3.45Å; G45-E84 PolarHBondContact O-N 3.15Å; G45-S113 WeakPolarHBondContact CA-O 3.36Å
46	L	98.9	Very high	98.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	142.9	177.6	-60	-174.9	0	0	0	111.4	I48 E84 V103 F114 V115	L46-I48 HydrophobicContact CB-CD1 4.24Å; L46-I48 HydrophobicContact CD1-CD1 4.25Å; L46-E84 HydrophobicContact CD2-CB 3.83Å; L46-E84 HydrophobicContact CD2-CG 4Å; L46-E84 VanDerWaalsContact CD2-OE2 3.29Å; L46-E84 WeakPolarHBondContact CD2-OE2 3.37Å; L46-V103 HydrophobicContact CD1-CG1 3.8Å; L46-F114 HydrophobicContact CB-CD2 4.16Å; L46-F114 HydrophobicContact CB-CE2 4.34Å; L46-V115 PolarHBondContact O-N 3.37Å
47	C	98.9	Very high	98.5	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	105.2	161.1	177.3	0	0	0	0	109	F78 Y83 E84 V85 R86 V115	C47-F78 HydrophobicContact CB-CB 4.12Å; C47-F78 HydrophobicContact CB-CD1 4.34Å; C47-F78 HydrophobicContact CB-CG 4.22Å; C47-F78 VanDerWaalsContact SG-CG 3.59Å; C47-Y83 HydrophobicContact CB-CD1 4.14Å; C47-Y83 HydrophobicContact CB-CG 4.17Å; C47-E84 PolarHBondContact N-O 3.09Å; C47-V85 HydrophobicContact CB-CG2 4.11Å; C47-V85 CarbonylContact O-C 3.57Å; C47-V85 WeakPolarHBondContact O-CA 3.38Å; C47-R86 PolarHBondContact O-N 3.44Å; C47-V115 CarbonylContact C-O 3.43Å; C47-V115 WeakPolarHBondContact CA-O 3.44Å; C47-V115 HydrophobicContact CB-CB 4.07Å; C47-V115 HydrophobicContact CB-CG1 4.41Å
48	I	98.9	Very high	98.4	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.6	177.3	-50.9	-57.9	0	0	0	108.6	L46 I50 R86 L99 M100 V103 F114 V115 C116 V117	L46-I48 HydrophobicContact CB-CD1 4.24Å; L46-I48 HydrophobicContact CD1-CD1 4.25Å; I48-I50 HydrophobicContact CG2-CG1 4.38Å; I48-R86 HydrophobicContact CD1-CB 3.83Å; I48-R86 HydrophobicContact CD1-CG 4.1Å; I48-L99 HydrophobicContact CG2-CD2 4Å; I48-M100 HydrophobicContact CB-CE 4.19Å; I48-M100 HydrophobicContact CG2-CE 3.62Å; I48-V103 HydrophobicContact CD1-CG2 4.14Å; I48-V103 HydrophobicContact CG1-CG1 4.28Å; I48-V103 HydrophobicContact CG1-CG2 4.35Å; I48-F114 HydrophobicContact CG1-CE2 3.9Å; I48-F114 HydrophobicContact CG1-CZ 4.28Å; I48-V115 PolarHBondContact N-O 3.44Å; I48-C116 CarbonylContact O-C 3.58Å; I48-C116 WeakPolarHBondContact O-CA 3.48Å; I48-V117 PolarHBondContact O-N 2.94Å
49	I	98.9	Very high	98.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.7	176.5	-58	170.9	0	0	0	108.1	A71 L74 R75 V85 R86 N87 K88 V117 L119	I49-A71 HydrophobicContact CG2-CB 4.4Å; I49-L74 HydrophobicContact CD1-CB 3.73Å; I49-R75 HydrophobicContact CD1-CB 4.24Å; I49-V85 HydrophobicContact CD1-CG1 3.57Å; I49-V85 HydrophobicContact CG1-CG1 4.18Å; I49-R86 PolarHBondContact N-O 2.88Å; I49-N87 CarbonylContact O-C 3.59Å; I49-N87 WeakPolarHBondContact O-CA 3.23Å; I49-K88 PolarHBondContact O-N 2.9Å; I49-V117 HydrophobicContact CG1-CB 4.19Å; I49-V117 HydrophobicContact CG1-CG2 4.19Å; I49-L119 HydrophobicContact CG2-CD1 4.27Å
50	I	98.9	Very high	98.1	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.015	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	112	171.1	-62	166.2	0	0	0	108.2	I48 L91 I96 L99 M100 V117 L118 L119	I48-I50 HydrophobicContact CG2-CG1 4.38Å; I50-L91 HydrophobicContact CD1-CD1 4.49Å; I50-L91 HydrophobicContact CG1-CD1 4.19Å; I50-L91 HydrophobicContact CG2-CB 4.49Å; I50-L91 HydrophobicContact CG2-CD1 4.24Å; I50-L91 HydrophobicContact CG2-CG 4.43Å; I50-I96 HydrophobicContact CD1-CG1 4.24Å; I50-I96 HydrophobicContact CD1-CG2 4Å; I50-I96 HydrophobicContact CG2-CD1 4.36Å; I50-I96 HydrophobicContact CG2-CG1 4.33Å; I50-L99 HydrophobicContact CD1-CD2 4.24Å; I50-L99 HydrophobicContact CG1-CD2 4.2Å; I50-M100 HydrophobicContact CD1-CE 3.76Å; I50-V117 PolarHBondContact N-O 2.74Å; I50-L118 HydrophobicContact CB-CD2 4.09Å; I50-L118 HydrophobicContact CD1-CD2 3.57Å; I50-L118 HydrophobicContact CG1-CD2 4.28Å; I50-L119 PolarHBondContact O-N 2.9Å
51	N	98.9	Very high	98	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.011	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	91.6	-178.4	179	43.4	0	0	0	110.4	K53 T67 D68 A71 K88 N89 D90 L119	N51-K53 PolarHBondContact O-N 2.91Å; N51-T67 WeakPolarHBondContact OD1-CB 3.42Å; N51-T67 WeakPolarHBondContact OD1-CG2 3.36Å; N51-T67 PolarHBondContact OD1-O 2.86Å; N51-T67 PolarHBondContact OD1-OG1 3.11Å; N51-D68 PolarHBondContact ND2-OD1 2.94Å; N51-A71 HydrophobicContact CB-CB 3.98Å; N51-K88 PolarHBondContact N-O 3.12Å; N51-N89 WeakPolarHBondContact CB-OD1 3.47Å; N51-N89 PolarHBondContact ND2-OD1 3.12Å; N51-N89 VanDerWaalsContact ND2-OD1 3.12Å; N51-N89 VanDerWaalsContact O-CA 3.3Å; N51-N89 WeakPolarHBondContact O-CA 3.46Å; N51-D90 PolarHBondContact O-N 3Å; N51-L119 HydrophobicContact CB-CD1 4.35Å
52	N	98.8	Very high	97.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.275	C	S	.	.			trans	-91.9	104.2	176.1	-77.5	0.6	0	0	0	109.4	F55 R64 D90 L91 L119 S120 F128	N52-F55 HydrophobicContact CB-CE1 4.16Å; N52-F55 HydrophobicContact CB-CZ 3.78Å; N52-R64 WeakPolarHBondContact O-CD 3.46Å; N52-R64 PolarHBondContact O-NH1 3.43Å; N52-D90 WeakPolarHBondContact OD1-CA 3.22Å; N52-D90 PolarHBondContact OD1-N 3.38Å; N52-L91 PolarHBondContact ND2-O 3.36Å; N52-L91 VanDerWaalsContact ND2-O 3.07Å; N52-L91 PolarHBondContact OD1-N 2.8Å; N52-L119 PolarHBondContact N-O 2.9Å; N52-S120 WeakPolarHBondContact CB-OG 3.25Å; N52-F128 PolarHBondContact ND2-O 3.21Å
53	K	98.6	Very high	97.8	Very high	55 Å²	55	44.5 Å²	44.5	24%	0.239	26%	0.258	C	S	.	.			trans	-98.5	-48	178.7	-177.3	176.4	178.4	-179.2	0	111.4	N51 S63 R64 T67 D68 D90	N51-K53 PolarHBondContact O-N 2.91Å; K53-S63 CarbonylContact O-C 3.57Å; K53-S63 VanDerWaalsContact O-CA 3.28Å; K53-S63 WeakPolarHBondContact O-CA 3.4Å; K53-S63 PolarHBondContact O-OG 2.77Å; K53-R64 PolarHBondContact O-N 3.39Å; K53-T67 HydrophobicContact CB-CG2 3.55Å; K53-T67 HydrophobicContact CD-CG2 4.14Å; K53-T67 HydrophobicContact CG-CG2 3.74Å; K53-D68 VanDerWaalsContact CD-OD2 3.29Å; K53-D68 WeakPolarHBondContact CD-OD2 3.5Å; K53-D68 WeakPolarHBondContact CE-OD2 3.32Å; K53-D68 IonicContact NZ-OD2 3.14Å; K53-D68 PolarHBondContact NZ-OD2 2.67Å; K53-D90 WeakPolarHBondContact CA-OD1 3.38Å; K53-D90 PolarHBondContact N-OD1 3.42Å
54	N	98.5	Very high	97.7	Very high	77 Å²	77	41 Å²	41	41%	0.412	24%	0.242	S	C	.	.			trans	-111.8	131.1	-171.8	-53	-62.7	0	0	0	110.3	S63 D90 T130	N54-S63 PolarHBondContact OD1-OG 2.6Å; N54-D90 WeakPolarHBondContact CB-OD2 3.47Å; N54-D90 PolarHBondContact N-OD1 3.45Å; N54-D90 PolarHBondContact ND2-OD2 2.8Å; N54-T130 WeakPolarHBondContact O-CG2 3.45Å
55	F	98.3	Very high	97.7	Very high	25 Å²	25	43 Å²	43	11%	0.11	26%	0.257	C	S	.	.			trans	-114.1	151.8	-176.3	-62.7	-95.6	0	0	0	110	N52 K57 M61 R64 S120 H121 F128	N52-F55 HydrophobicContact CB-CE1 4.16Å; N52-F55 HydrophobicContact CB-CZ 3.78Å; F55-K57 PolarHBondContact O-N 2.92Å; F55-M61 HydrophobicContact CB-CB 3.88Å; F55-M61 HydrophobicContact CB-CE 4.17Å; F55-M61 HydrophobicContact CD1-CB 4.46Å; F55-M61 HydrophobicContact CD1-CE 3.38Å; F55-M61 HydrophobicContact CD1-SD 3.91Å; F55-M61 HydrophobicContact CD2-CB 4.3Å; F55-M61 HydrophobicContact CE1-CE 4.08Å; F55-M61 HydrophobicContact CE1-SD 4.22Å; F55-M61 HydrophobicContact CG-CB 3.95Å; F55-M61 HydrophobicContact CG-CE 3.99Å; F55-M61 HydrophobicContact CG-SD 4.33Å; F55-R64 HydrophobicContact CE2-CG 3.94Å; F55-S120 WeakPolarHBondContact CE1-OG 3.33Å; F55-S120 VanDerWaalsContact CZ-OG 3.32Å; F55-S120 WeakPolarHBondContact CZ-OG 3.44Å; F55-H121 AromaticContact CD2-CD2 3.73Å; F55-H121 AromaticContact CE1-CD2 3.96Å; F55-H121 AromaticContact CE2-CD2 3.32Å; F55-H121 WeakPolarHBondContact CE2-CD2 3.4Å; F55-H121 AromaticContact CE2-NE2 3.73Å; F55-H121 HydrophobicContact CZ-CB 4.48Å; F55-H121 AromaticContact CZ-CD2 3.44Å; F55-H121 VanDerWaalsContact CZ-CD2 3.44Å; F55-H121 WeakPolarHBondContact CZ-CD2 3.46Å; F55-F128 HydrophobicContact CE1-CB 4Å
56	H	98.2	Very high	97.6	Very high	89 Å²	89	43.4 Å²	43.4	41%	0.412	26%	0.261	S	S	.	.			trans	-59	137	177	-72.1	-167.5	0	0	0	109.7	S58 T59 T130 N131	H56-S58 PolarHBondContact O-N 3.28Å; H56-T59 HydrophobicContact CB-CG2 4.27Å; H56-T59 WeakPolarHBondContact O-CB 3.5Å; H56-T59 PolarHBondContact O-N 2.89Å; H56-T59 PolarHBondContact O-OG1 2.84Å; H56-T130 WeakPolarHBondContact CB-O 3.37Å; H56-T130 PolarHBondContact N-O 3.25Å; H56-N131 WeakPolarHBondContact ND1-CB 3.42Å
57	K	96.7	Very high	97.6	Very high	207 Å²	207	43.4 Å²	43.4	90%	0.9	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-54.1	-32.8	-178.4	-171.6	177.7	179.8	-178.7	0	113.1	F55 T59 G60	F55-K57 PolarHBondContact O-N 2.92Å; K57-T59 PolarHBondContact O-N 3.34Å; K57-G60 PolarHBondContact O-N 2.74Å
58	S	96.5	Very high	97.6	Very high	109 Å²	109	46.6 Å²	46.6	76%	0.762	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-61.2	-20.8	177.6	57	0	0	0	0	114.2	H56	H56-S58 PolarHBondContact O-N 3.28Å
59	T	95.2	Very high	97.6	Very high	41 Å²	41	49.5 Å²	49.5	25%	0.252	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-83.6	-17.9	179.6	67.4	0	0	0	0	113.2	H56 K57 M61	H56-T59 HydrophobicContact CB-CG2 4.27Å; H56-T59 WeakPolarHBondContact O-CB 3.5Å; H56-T59 PolarHBondContact O-N 2.89Å; H56-T59 PolarHBondContact O-OG1 2.84Å; K57-T59 PolarHBondContact O-N 3.34Å; T59-M61 VanDerWaalsContact CB-CE 3.47Å; T59-M61 HydrophobicContact CG2-CE 3.74Å; T59-M61 PolarHBondContact O-N 2.91Å; T59-M61 VanDerWaalsContact O-N 3.12Å; T59-M61 WeakPolarHBondContact OG1-CE 3.4Å; T59-M61 PolarHBondContact OG1-N 3.23Å
60	G	95.4	Very high	97.6	Very high	70 Å²	70	49.5 Å²	49.5	72%	0.722	30%	0.296	S	S	*	.			trans	66.9	1.7	-172.9	0	0	0	0	0	115.1	K57	K57-G60 PolarHBondContact O-N 2.74Å
61	M	95.1	Very high	97.6	Very high	41 Å²	41	49.6 Å²	49.6	20%	0.202	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-74.3	134.9	-178.4	-71.6	-173.9	-81.1	0	0	111.9	F55 T59 H121 F128	F55-M61 HydrophobicContact CB-CB 3.88Å; F55-M61 HydrophobicContact CB-CE 4.17Å; F55-M61 HydrophobicContact CD1-CB 4.46Å; F55-M61 HydrophobicContact CD1-CE 3.38Å; F55-M61 HydrophobicContact CD1-SD 3.91Å; F55-M61 HydrophobicContact CD2-CB 4.3Å; F55-M61 HydrophobicContact CE1-CE 4.08Å; F55-M61 HydrophobicContact CE1-SD 4.22Å; F55-M61 HydrophobicContact CG-CB 3.95Å; F55-M61 HydrophobicContact CG-CE 3.99Å; F55-M61 HydrophobicContact CG-SD 4.33Å; T59-M61 VanDerWaalsContact CB-CE 3.47Å; T59-M61 HydrophobicContact CG2-CE 3.74Å; T59-M61 PolarHBondContact O-N 2.91Å; T59-M61 VanDerWaalsContact O-N 3.12Å; T59-M61 WeakPolarHBondContact OG1-CE 3.4Å; T59-M61 PolarHBondContact OG1-N 3.23Å; M61-H121 HydrophobicContact SD-CB 3.84Å; M61-H121 VanDerWaalsContact SD-CD2 3.59Å; M61-F128 HydrophobicContact CE-CB 4.07Å; M61-F128 HydrophobicContact CE-CD1 3.34Å; M61-F128 HydrophobicContact CE-CE1 4.03Å; M61-F128 HydrophobicContact CE-CG 3.95Å; M61-F128 HydrophobicContact SD-CB 4.06Å; M61-F128 HydrophobicContact SD-CD1 3.54Å; M61-F128 VanDerWaalsContact SD-CD1 3.54Å; M61-F128 HydrophobicContact SD-CD2 4.41Å; M61-F128 HydrophobicContact SD-CE1 4.02Å; M61-F128 HydrophobicContact SD-CG 3.74Å
62	A	95.4	Very high	97.6	Very high	69 Å²	69	52.3 Å²	52.3	57%	0.57	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-71.1	152.7	176.2	0	0	0	0	0	112.2	H121	A62-H121 PolarHBondContact O-NE2 3.13Å
63	S	97	Very high	97.6	Very high	52 Å²	52	54.1 Å²	54.1	36%	0.364	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-65.2	142.9	172.4	-174.8	0	0	0	0	111.2	K53 N54 S65	K53-S63 CarbonylContact O-C 3.57Å; K53-S63 VanDerWaalsContact O-CA 3.28Å; K53-S63 WeakPolarHBondContact O-CA 3.4Å; K53-S63 PolarHBondContact O-OG 2.77Å; N54-S63 PolarHBondContact OD1-OG 2.6Å; S63-S65 PolarHBondContact O-N 3.34Å
64	R	98	Very high	97.6	Very high	5 Å²	5	51.5 Å²	51.5	2%	0.019	32%	0.318	C	S	.	.			trans	-93.6	62.5	-174.8	-67.7	177.6	60.1	-90.8	-5.5	112.9	N52 K53 F55 G66 T67 L119 S120	N52-R64 WeakPolarHBondContact O-CD 3.46Å; N52-R64 PolarHBondContact O-NH1 3.43Å; K53-R64 PolarHBondContact O-N 3.39Å; F55-R64 HydrophobicContact CE2-CG 3.94Å; R64-G66 PolarHBondContact O-N 3.4Å; R64-T67 HydrophobicContact CB-CG2 4.2Å; R64-T67 PolarHBondContact NH1-OG1 3.38Å; R64-T67 VanDerWaalsContact O-CB 3.28Å; R64-T67 WeakPolarHBondContact O-CB 3.36Å; R64-T67 WeakPolarHBondContact O-CG2 3.4Å; R64-T67 PolarHBondContact O-N 3.14Å; R64-L119 PolarHBondContact NH1-O 2.84Å; R64-S120 VanDerWaalsContact CD-C 3.48Å; R64-S120 PolarHBondContact NE-O 2.86Å; R64-S120 VanDerWaalsContact NE-O 3.07Å
65	S	97.4	Very high	97.6	Very high	56 Å²	56	52.8 Å²	52.8	39%	0.392	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.5	134.2	179.1	-58.9	0	0	0	0	113.4	S63 R207	S63-S65 PolarHBondContact O-N 3.34Å; S65-R207 VanDerWaalsContact O-CD 3.31Å; S65-R207 WeakPolarHBondContact O-CD 3.45Å; S65-R207 VanDerWaalsContact O-CZ 3.29Å; S65-R207 PolarHBondContact O-NH1 3.25Å
66	G	97.9	Very high	97.6	Very high	9 Å²	9	56.3 Å²	56.3	9%	0.093	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-13.3	-175.5	0	0	0	0	0	115	R64 D68 V69 D70 S209	R64-G66 PolarHBondContact O-N 3.4Å; G66-D68 PolarHBondContact O-N 2.86Å; G66-V69 WeakPolarHBondContact O-CB 3.49Å; G66-V69 PolarHBondContact O-N 3.34Å; G66-V69 VanDerWaalsContact O-N 3.07Å; G66-D70 PolarHBondContact O-N 3.35Å; G66-S209 VanDerWaalsContact CA-O 3.32Å; G66-S209 WeakPolarHBondContact CA-O 3.37Å; G66-S209 PolarHBondContact N-O 2.73Å
67	T	98.4	Very high	97.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-24.1	175.5	-164.7	0	0	0	0	113.9	N51 K53 R64 V69 D70 A71	N51-T67 WeakPolarHBondContact OD1-CB 3.42Å; N51-T67 WeakPolarHBondContact OD1-CG2 3.36Å; N51-T67 PolarHBondContact OD1-O 2.86Å; N51-T67 PolarHBondContact OD1-OG1 3.11Å; K53-T67 HydrophobicContact CB-CG2 3.55Å; K53-T67 HydrophobicContact CD-CG2 4.14Å; K53-T67 HydrophobicContact CG-CG2 3.74Å; R64-T67 HydrophobicContact CB-CG2 4.2Å; R64-T67 PolarHBondContact NH1-OG1 3.38Å; R64-T67 VanDerWaalsContact O-CB 3.28Å; R64-T67 WeakPolarHBondContact O-CB 3.36Å; R64-T67 WeakPolarHBondContact O-CG2 3.4Å; R64-T67 PolarHBondContact O-N 3.14Å; T67-V69 VanDerWaalsContact C-N 3.29Å; T67-D70 WeakPolarHBondContact O-CB 3.35Å; T67-D70 PolarHBondContact O-N 3.41Å; T67-A71 WeakPolarHBondContact O-CB 3.39Å; T67-A71 PolarHBondContact O-N 2.91Å
68	D	98.7	Very high	97.8	Very high	67 Å²	67	42.3 Å²	42.3	36%	0.358	27%	0.272	S	S	.	.	H	α-helix	trans	-71	-30.1	175.7	-59.3	-29.5	0	0	0	111.6	N51 K53 G66 A71 A72	N51-D68 PolarHBondContact ND2-OD1 2.94Å; K53-D68 VanDerWaalsContact CD-OD2 3.29Å; K53-D68 WeakPolarHBondContact CD-OD2 3.5Å; K53-D68 WeakPolarHBondContact CE-OD2 3.32Å; K53-D68 IonicContact NZ-OD2 3.14Å; K53-D68 PolarHBondContact NZ-OD2 2.67Å; G66-D68 PolarHBondContact O-N 2.86Å; D68-A71 PolarHBondContact O-N 2.98Å; D68-A72 WeakPolarHBondContact O-CB 3.44Å; D68-A72 PolarHBondContact O-N 3Å
69	V	98.6	Very high	97.9	Very high	63 Å²	63	40.6 Å²	40.6	38%	0.382	25%	0.253	S	S	.	.	H	α-helix	trans	-65.9	-45.2	173	-178.6	0	0	0	0	109.4	G66 T67 A72 N73	G66-V69 WeakPolarHBondContact O-CB 3.49Å; G66-V69 PolarHBondContact O-N 3.34Å; G66-V69 VanDerWaalsContact O-N 3.07Å; T67-V69 VanDerWaalsContact C-N 3.29Å; V69-A72 PolarHBondContact O-N 2.87Å; V69-N73 WeakPolarHBondContact O-CB 3.46Å; V69-N73 PolarHBondContact O-N 2.8Å
70	D	98.8	Very high	98	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.2	-52.3	173.3	-72.5	-15.8	0	0	0	111.2	G66 T67 A72 N73 L74 L119 G212 S213 I216	G66-D70 PolarHBondContact O-N 3.35Å; T67-D70 WeakPolarHBondContact O-CB 3.35Å; T67-D70 PolarHBondContact O-N 3.41Å; D70-A72 VanDerWaalsContact C-N 3.31Å; D70-A72 PolarHBondContact O-N 3.41Å; D70-N73 PolarHBondContact O-N 3.41Å; D70-L74 WeakPolarHBondContact O-CB 3.49Å; D70-L74 WeakPolarHBondContact O-CD1 3.49Å; D70-L74 WeakPolarHBondContact O-CG 3.26Å; D70-L74 PolarHBondContact O-N 2.65Å; D70-L119 HydrophobicContact CB-CD1 3.94Å; D70-G212 VanDerWaalsContact OD1-CA 3.24Å; D70-G212 WeakPolarHBondContact OD1-CA 3.5Å; D70-S213 VanDerWaalsContact CG-N 3.31Å; D70-S213 VanDerWaalsContact CG-OG 3.28Å; D70-S213 PolarHBondContact OD1-N 3.02Å; D70-S213 PolarHBondContact OD1-OG 2.82Å; D70-S213 VanDerWaalsContact OD2-CB 3.25Å; D70-S213 WeakPolarHBondContact OD2-CB 3.34Å; D70-S213 PolarHBondContact OD2-N 3.21Å; D70-S213 PolarHBondContact OD2-OG 3.5Å; D70-I216 HydrophobicContact CB-CB 4.12Å; D70-I216 HydrophobicContact CB-CG1 4.35Å; D70-I216 HydrophobicContact CB-CG2 3.74Å
71	A	98.8	Very high	98.2	Very high	5 Å²	5	40.8 Å²	40.8	4%	0.041	24%	0.236	C	C	.	.	H	α-helix	trans	-60.8	-38.6	-177.8	0	0	0	0	0	112.8	I49 N51 T67 D68 R75 L119	I49-A71 HydrophobicContact CG2-CB 4.4Å; N51-A71 HydrophobicContact CB-CB 3.98Å; T67-A71 WeakPolarHBondContact O-CB 3.39Å; T67-A71 PolarHBondContact O-N 2.91Å; D68-A71 PolarHBondContact O-N 2.98Å; A71-R75 WeakPolarHBondContact O-CB 3.08Å; A71-R75 PolarHBondContact O-N 2.98Å; A71-L119 HydrophobicContact CB-CD1 3.99Å
72	A	98.8	Very high	98.4	Very high	59 Å²	59	46.3 Å²	46.3	49%	0.488	26%	0.259	S	S	.	.	H	α-helix	trans	-68.4	-45.9	176	0	0	0	0	0	111.9	D68 V69 D70 L74 R75 E76	D68-A72 WeakPolarHBondContact O-CB 3.44Å; D68-A72 PolarHBondContact O-N 3Å; V69-A72 PolarHBondContact O-N 2.87Å; D70-A72 VanDerWaalsContact C-N 3.31Å; D70-A72 PolarHBondContact O-N 3.41Å; A72-L74 PolarHBondContact O-N 3.37Å; A72-R75 PolarHBondContact O-N 3.14Å; A72-E76 PolarHBondContact O-N 3.27Å
73	N	98.8	Very high	98.5	Very high	37 Å²	37	43.4 Å²	43.4	20%	0.198	23%	0.233	C	C	.	.	H	α-helix	trans	-66.1	-39.9	-179.2	-164.6	8.3	0	0	0	111.7	V69 D70 T77 C220 K224	V69-N73 WeakPolarHBondContact O-CB 3.46Å; V69-N73 PolarHBondContact O-N 2.8Å; D70-N73 PolarHBondContact O-N 3.41Å; N73-T77 VanDerWaalsContact O-CB 3.3Å; N73-T77 WeakPolarHBondContact O-CB 3.46Å; N73-T77 PolarHBondContact O-N 2.93Å; N73-T77 PolarHBondContact O-OG1 2.65Å; N73-C220 WeakPolarHBondContact ND2-CB 3.38Å; N73-C220 WeakPolarHBondContact OD1-CB 3.45Å; N73-K224 PolarHBondContact OD1-NZ 3.05Å
74	L	98.9	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-45.9	172.4	-76.6	160.5	0	0	0	111.4	I49 D70 A72 E76 T77 F78 V117 L119 I216 L219	I49-L74 HydrophobicContact CD1-CB 3.73Å; D70-L74 WeakPolarHBondContact O-CB 3.49Å; D70-L74 WeakPolarHBondContact O-CD1 3.49Å; D70-L74 WeakPolarHBondContact O-CG 3.26Å; D70-L74 PolarHBondContact O-N 2.65Å; A72-L74 PolarHBondContact O-N 3.37Å; L74-E76 PolarHBondContact O-N 3.38Å; L74-T77 PolarHBondContact O-N 3.12Å; L74-F78 HydrophobicContact CD2-CD2 4.26Å; L74-F78 HydrophobicContact CD2-CE2 3.85Å; L74-F78 WeakPolarHBondContact O-CD2 3.41Å; L74-F78 PolarHBondContact O-N 2.96Å; L74-V117 HydrophobicContact CD1-CG1 3.64Å; L74-V117 HydrophobicContact CD2-CG1 4.34Å; L74-L119 HydrophobicContact CD1-CD1 4.01Å; L74-L119 HydrophobicContact CD1-CD2 3.91Å; L74-L119 HydrophobicContact CD1-CG 4.41Å; L74-I216 HydrophobicContact CD1-CD1 4.1Å; L74-I216 HydrophobicContact CD1-CG1 4.42Å; L74-I216 HydrophobicContact CD1-CG2 3.72Å; L74-I216 HydrophobicContact CD2-CD1 4.3Å; L74-I216 HydrophobicContact CD2-CG2 4.09Å; L74-I216 HydrophobicContact CG-CG2 3.6Å; L74-L219 HydrophobicContact CD2-CD2 4.47Å
75	R	98.9	Very high	98.6	Very high	105 Å²	105	45.4 Å²	45.4	40%	0.396	24%	0.238	S	C	.	.	H	α-helix	trans	-57.5	-50.8	178.5	177.7	-179.9	-176.5	70.3	7	111.3	I49 A71 A72 T77 I79 V85 N87	I49-R75 HydrophobicContact CD1-CB 4.24Å; A71-R75 WeakPolarHBondContact O-CB 3.08Å; A71-R75 PolarHBondContact O-N 2.98Å; A72-R75 PolarHBondContact O-N 3.14Å; R75-T77 PolarHBondContact O-N 3.02Å; R75-I79 HydrophobicContact CG-CD1 3.73Å; R75-I79 HydrophobicContact CG-CG1 4.48Å; R75-I79 WeakPolarHBondContact O-CB 3.47Å; R75-I79 WeakPolarHBondContact O-CG1 3.37Å; R75-I79 PolarHBondContact O-N 3.28Å; R75-V85 HydrophobicContact CB-CG1 4.27Å; R75-V85 HydrophobicContact CG-CB 4.44Å; R75-V85 HydrophobicContact CG-CG1 4.05Å; R75-V85 PolarHBondContact NH1-O 2.77Å; R75-N87 VanDerWaalsContact CD-OD1 3.29Å; R75-N87 WeakPolarHBondContact CD-OD1 3.4Å; R75-N87 PolarHBondContact NH1-OD1 3.02Å
76	E	98.8	Very high	98.7	Very high	99 Å²	99	45.9 Å²	45.9	46%	0.463	23%	0.231	S	C	.	.	H	α-helix	trans	-58.7	-48.1	177.7	-171.2	-159.8	170.7	0	0	111.5	A72 L74 F78 I79 N80 K224	A72-E76 PolarHBondContact O-N 3.27Å; L74-E76 PolarHBondContact O-N 3.38Å; E76-F78 PolarHBondContact O-N 2.92Å; E76-I79 PolarHBondContact O-N 3.4Å; E76-N80 PolarHBondContact O-N 2.89Å; E76-N80 PolarHBondContact O-ND2 3.21Å; E76-K224 IonicContact OE1-NZ 3.57Å; E76-K224 IonicContact OE2-NZ 3.56Å; E76-K224 PolarHBondContact OE2-NZ 3.08Å
77	T	98.9	Very high	98.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-50.6	-178.7	-59.1	0	0	0	0	111.5	N73 L74 R75 N80 L81 C220 L223 K224	N73-T77 VanDerWaalsContact O-CB 3.3Å; N73-T77 WeakPolarHBondContact O-CB 3.46Å; N73-T77 PolarHBondContact O-N 2.93Å; N73-T77 PolarHBondContact O-OG1 2.65Å; L74-T77 PolarHBondContact O-N 3.12Å; R75-T77 PolarHBondContact O-N 3.02Å; T77-N80 WeakPolarHBondContact O-CB 3.44Å; T77-N80 PolarHBondContact O-N 2.84Å; T77-L81 WeakPolarHBondContact O-CG 3.37Å; T77-L81 PolarHBondContact O-N 3.47Å; T77-L81 VanDerWaalsContact O-N 3.14Å; T77-C220 WeakPolarHBondContact OG1-CB 3.43Å; T77-C220 PolarHBondContact OG1-SG 3.4Å; T77-L223 HydrophobicContact CG2-CB 3.63Å; T77-L223 HydrophobicContact CG2-CD1 3.85Å; T77-L223 HydrophobicContact CG2-CG 4.41Å; T77-K224 HydrophobicContact CG2-CG 4.49Å; T77-K224 WeakPolarHBondContact OG1-CE 3.49Å
78	F	98.8	Very high	98.8	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-73.5	-27.9	-177.6	-80.4	-77.5	0	0	0	113.4	C47 L74 E76 N80 L81 K82 Y83 V85 V115 V117 I159 L223	C47-F78 HydrophobicContact CB-CB 4.12Å; C47-F78 HydrophobicContact CB-CD1 4.34Å; C47-F78 HydrophobicContact CB-CG 4.22Å; C47-F78 VanDerWaalsContact SG-CG 3.59Å; L74-F78 HydrophobicContact CD2-CD2 4.26Å; L74-F78 HydrophobicContact CD2-CE2 3.85Å; L74-F78 WeakPolarHBondContact O-CD2 3.41Å; L74-F78 PolarHBondContact O-N 2.96Å; E76-F78 PolarHBondContact O-N 2.92Å; F78-N80 VanDerWaalsContact C-N 3.32Å; F78-L81 HydrophobicContact CD1-CD1 4.17Å; F78-L81 HydrophobicContact CE1-CD1 4.29Å; F78-L81 CarbonylContact O-C 3.04Å; F78-L81 PolarHBondContact O-N 2.97Å; F78-K82 PolarHBondContact O-N 3.05Å; F78-Y83 AromaticContact CD1-CD2 3.74Å; F78-Y83 HydrophobicContact CD1-CD2 3.74Å; F78-Y83 HydrophobicContact CD1-CE2 4.04Å; F78-Y83 HydrophobicContact CD1-CG 4.14Å; F78-Y83 HydrophobicContact CE1-CE2 4.41Å; F78-Y83 WeakPolarHBondContact O-CB 3.35Å; F78-Y83 PolarHBondContact O-N 3.17Å; F78-V85 HydrophobicContact CB-CG2 3.71Å; F78-V115 HydrophobicContact CE1-CB 4.48Å; F78-V115 HydrophobicContact CE1-CG1 3.95Å; F78-V115 HydrophobicContact CE1-CG2 4.05Å; F78-V115 HydrophobicContact CZ-CG1 3.95Å; F78-V117 HydrophobicContact CE2-CG2 4.46Å; F78-I159 HydrophobicContact CE2-CD1 4.06Å; F78-I159 HydrophobicContact CZ-CD1 3.61Å; F78-L223 HydrophobicContact CE2-CD1 4.44Å; F78-L223 HydrophobicContact CZ-CD1 4.18Å
79	I	98.8	Very high	98.8	Very high	72 Å²	72	53.3 Å²	53.3	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-42.4	168.3	-74.6	170.7	0	0	0	110.6	R75 E76 L81 K82 V85	R75-I79 HydrophobicContact CG-CD1 3.73Å; R75-I79 HydrophobicContact CG-CG1 4.48Å; R75-I79 WeakPolarHBondContact O-CB 3.47Å; R75-I79 WeakPolarHBondContact O-CG1 3.37Å; R75-I79 PolarHBondContact O-N 3.28Å; E76-I79 PolarHBondContact O-N 3.4Å; I79-L81 PolarHBondContact O-N 3.38Å; I79-K82 WeakPolarHBondContact O-CA 3.49Å; I79-K82 PolarHBondContact O-N 3.49Å; I79-V85 HydrophobicContact CG1-CB 4.22Å; I79-V85 HydrophobicContact CG1-CG2 3.7Å
80	N	98.6	Very high	98.8	Very high	90 Å²	90	52.9 Å²	52.9	48%	0.481	26%	0.26	S	S	.	.	H	α-helix	trans	-65.4	-31.5	178.1	-71	-24.5	0	0	0	112.1	E76 T77 F78 K82	E76-N80 PolarHBondContact O-N 2.89Å; E76-N80 PolarHBondContact O-ND2 3.21Å; T77-N80 WeakPolarHBondContact O-CB 3.44Å; T77-N80 PolarHBondContact O-N 2.84Å; F78-N80 VanDerWaalsContact C-N 3.32Å; N80-K82 WeakPolarHBondContact O-CE 3.31Å; N80-K82 PolarHBondContact O-N 3Å
81	L	98.6	Very high	98.8	Very high	26 Å²	26	53.9 Å²	53.9	14%	0.136	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	11.1	169.4	-58.2	177.8	0	0	0	114	M44 T77 F78 I79 Y83 L223 A227 F275	M44-L81 WeakPolarHBondContact CG-O 3.49Å; T77-L81 WeakPolarHBondContact O-CG 3.37Å; T77-L81 PolarHBondContact O-N 3.47Å; T77-L81 VanDerWaalsContact O-N 3.14Å; F78-L81 HydrophobicContact CD1-CD1 4.17Å; F78-L81 HydrophobicContact CE1-CD1 4.29Å; F78-L81 CarbonylContact O-C 3.04Å; F78-L81 PolarHBondContact O-N 2.97Å; I79-L81 PolarHBondContact O-N 3.38Å; L81-Y83 VanDerWaalsContact C-N 3.29Å; L81-Y83 HydrophobicContact CB-CD2 3.86Å; L81-Y83 HydrophobicContact CB-CE2 4.11Å; L81-Y83 WeakPolarHBondContact O-CD2 3.38Å; L81-Y83 PolarHBondContact O-N 2.73Å; L81-L223 HydrophobicContact CD1-CD1 4.43Å; L81-L223 HydrophobicContact CD1-CD2 4.16Å; L81-A227 HydrophobicContact CD2-CB 3.4Å; L81-A227 VanDerWaalsContact CD2-CB 3.4Å; L81-F275 HydrophobicContact CD1-CD1 4.42Å; L81-F275 HydrophobicContact CD1-CG 4.43Å; L81-F275 HydrophobicContact CD2-CB 4.26Å
82	K	98.8	Very high	98.8	Very high	156 Å²	156	54.9 Å²	54.9	68%	0.678	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	22.6	174.6	-43	-55.4	176.7	-171.8	0	115.4	M44 F78 I79 N80	M44-K82 HydrophobicContact CG-CB 4.03Å; F78-K82 PolarHBondContact O-N 3.05Å; I79-K82 WeakPolarHBondContact O-CA 3.49Å; I79-K82 PolarHBondContact O-N 3.49Å; N80-K82 WeakPolarHBondContact O-CE 3.31Å; N80-K82 PolarHBondContact O-N 3Å
83	Y	98.9	Very high	98.8	Very high	9 Å²	9	57.3 Å²	57.3	4%	0.035	27%	0.268	C	S	.	.			trans	-77.9	147.7	170.7	-76.4	-96.3	0	0	0	111.9	M44 G45 C47 F78 L81 V85 S113 V115 F275	M44-Y83 HydrophobicContact CB-CD1 4.32Å; M44-Y83 HydrophobicContact CB-CD2 4.17Å; M44-Y83 HydrophobicContact CB-CE1 4.27Å; M44-Y83 HydrophobicContact CB-CE2 4.16Å; M44-Y83 HydrophobicContact CB-CG 4.27Å; M44-Y83 HydrophobicContact CE-CE2 3.86Å; G45-Y83 WeakPolarHBondContact O-CD1 3.45Å; C47-Y83 HydrophobicContact CB-CD1 4.14Å; C47-Y83 HydrophobicContact CB-CG 4.17Å; F78-Y83 AromaticContact CD1-CD2 3.74Å; F78-Y83 HydrophobicContact CD1-CD2 3.74Å; F78-Y83 HydrophobicContact CD1-CE2 4.04Å; F78-Y83 HydrophobicContact CD1-CG 4.14Å; F78-Y83 HydrophobicContact CE1-CE2 4.41Å; F78-Y83 WeakPolarHBondContact O-CB 3.35Å; F78-Y83 PolarHBondContact O-N 3.17Å; L81-Y83 VanDerWaalsContact C-N 3.29Å; L81-Y83 HydrophobicContact CB-CD2 3.86Å; L81-Y83 HydrophobicContact CB-CE2 4.11Å; L81-Y83 WeakPolarHBondContact O-CD2 3.38Å; L81-Y83 PolarHBondContact O-N 2.73Å; Y83-V85 PolarHBondContact O-N 3.01Å; Y83-S113 VanDerWaalsContact CE1-OG 3.24Å; Y83-S113 WeakPolarHBondContact CE1-OG 3.41Å; Y83-S113 PolarHBondContact OH-OG 2.91Å; Y83-V115 HydrophobicContact CD1-CG2 4.12Å; Y83-V115 HydrophobicContact CE1-CB 4.39Å; Y83-V115 HydrophobicContact CE1-CG2 3.48Å; Y83-V115 VanDerWaalsContact CE1-CG2 3.48Å; Y83-F275 HydrophobicContact CE2-CD1 4.11Å; Y83-F275 HydrophobicContact CE2-CE1 4.14Å
84	E	98.8	Very high	98.8	Very high	84 Å²	84	59.9 Å²	59.9	39%	0.393	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	99.8	164.4	-174.5	-163.1	140	0	0	108.7	G45 L46 C47 R86 R111	G45-E84 PolarHBondContact O-N 3.15Å; L46-E84 HydrophobicContact CD2-CB 3.83Å; L46-E84 HydrophobicContact CD2-CG 4Å; L46-E84 VanDerWaalsContact CD2-OE2 3.29Å; L46-E84 WeakPolarHBondContact CD2-OE2 3.37Å; C47-E84 PolarHBondContact N-O 3.09Å; E84-R86 IonicContact OE1-CZ 3.2Å; E84-R86 IonicContact OE1-NE 3.72Å; E84-R86 PolarHBondContact OE1-NE 3.47Å; E84-R86 IonicContact OE1-NH2 3.75Å; E84-R86 PolarHBondContact OE1-NH2 2.99Å; E84-R86 IonicContact OE2-NH2 2.95Å; E84-R111 IonicContact OE2-NH2 3.89Å; E84-R111 PolarHBondContact OE2-NH2 3.11Å
85	V	98.9	Very high	98.8	Very high	15 Å²	15	64.3 Å²	64.3	9%	0.091	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.3	-175	-171.4	0	0	0	0	112.4	C47 I49 R75 F78 I79 Y83 N87	C47-V85 HydrophobicContact CB-CG2 4.11Å; C47-V85 CarbonylContact O-C 3.57Å; C47-V85 WeakPolarHBondContact O-CA 3.38Å; I49-V85 HydrophobicContact CD1-CG1 3.57Å; I49-V85 HydrophobicContact CG1-CG1 4.18Å; R75-V85 HydrophobicContact CB-CG1 4.27Å; R75-V85 HydrophobicContact CG-CB 4.44Å; R75-V85 HydrophobicContact CG-CG1 4.05Å; R75-V85 PolarHBondContact NH1-O 2.77Å; F78-V85 HydrophobicContact CB-CG2 3.71Å; I79-V85 HydrophobicContact CG1-CB 4.22Å; I79-V85 HydrophobicContact CG1-CG2 3.7Å; Y83-V85 PolarHBondContact O-N 3.01Å; V85-N87 WeakPolarHBondContact CG1-OD1 3.44Å
86	R	98.8	Very high	98.8	Very high	65 Å²	65	59.4 Å²	59.4	25%	0.245	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	104.7	175.2	-52.9	-177.5	-171	164.7	1.9	110.5	C47 I48 I49 E84 E106	C47-R86 PolarHBondContact O-N 3.44Å; I48-R86 HydrophobicContact CD1-CB 3.83Å; I48-R86 HydrophobicContact CD1-CG 4.1Å; I49-R86 PolarHBondContact N-O 2.88Å; E84-R86 IonicContact OE1-CZ 3.2Å; E84-R86 IonicContact OE1-NE 3.72Å; E84-R86 PolarHBondContact OE1-NE 3.47Å; E84-R86 IonicContact OE1-NH2 3.75Å; E84-R86 PolarHBondContact OE1-NH2 2.99Å; E84-R86 IonicContact OE2-NH2 2.95Å; R86-E106 IonicContact CZ-OE1 3.67Å; R86-E106 IonicContact CZ-OE2 3.83Å; R86-E106 IonicContact NH1-OE1 3.61Å; R86-E106 PolarHBondContact NH1-OE1 3.14Å; R86-E106 IonicContact NH1-OE2 2.67Å; R86-E106 PolarHBondContact NH1-OE2 3.32Å; R86-E106 IonicContact NH2-OE1 2.66Å; R86-E106 IonicContact NH2-OE2 2.82Å; R86-E106 PolarHBondContact NH2-OE2 3.26Å
87	N	98.7	Very high	98.7	Very high	43 Å²	43	55.4 Å²	55.4	23%	0.23	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	137.5	174.1	-67.9	78.2	0	0	0	110.7	I49 R75 V85	I49-N87 CarbonylContact O-C 3.59Å; I49-N87 WeakPolarHBondContact O-CA 3.23Å; R75-N87 VanDerWaalsContact CD-OD1 3.29Å; R75-N87 WeakPolarHBondContact CD-OD1 3.4Å; R75-N87 PolarHBondContact NH1-OD1 3.02Å; V85-N87 WeakPolarHBondContact CG1-OD1 3.44Å
88	K	98.8	Very high	98.7	Very high	90 Å²	90	59.9 Å²	59.9	39%	0.391	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137.3	173.5	-60.3	-66.2	-179.5	-178.5	0	108.5	I49 N51 L91 L99	I49-K88 PolarHBondContact O-N 2.9Å; N51-K88 PolarHBondContact N-O 3.12Å; K88-L91 HydrophobicContact CB-CD1 3.78Å; K88-L91 HydrophobicContact CB-CD2 4.27Å; K88-L91 HydrophobicContact CB-CG 4.08Å; K88-L91 HydrophobicContact CG-CD1 4.38Å; K88-L99 HydrophobicContact CB-CD2 4.43Å; K88-L99 HydrophobicContact CG-CD2 3.79Å
89	N	98.8	Very high	98.7	Very high	100 Å²	100	61.4 Å²	61.4	54%	0.535	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.5	-175.9	-61.6	-51.1	0	0	0	110.3	N51 L91	N51-N89 WeakPolarHBondContact CB-OD1 3.47Å; N51-N89 PolarHBondContact ND2-OD1 3.12Å; N51-N89 VanDerWaalsContact ND2-OD1 3.12Å; N51-N89 VanDerWaalsContact O-CA 3.3Å; N51-N89 WeakPolarHBondContact O-CA 3.46Å; N89-L91 PolarHBondContact O-N 3.02Å
90	D	98.8	Very high	98.7	Very high	54 Å²	54	58 Å²	58	29%	0.289	27%	0.274	S	S	.	.	S	Bend	trans	49.4	51.2	168.7	-65.9	-17	0	0	0	114	N51 N52 K53 N54 T130	N51-D90 PolarHBondContact O-N 3Å; N52-D90 WeakPolarHBondContact OD1-CA 3.22Å; N52-D90 PolarHBondContact OD1-N 3.38Å; K53-D90 WeakPolarHBondContact CA-OD1 3.38Å; K53-D90 PolarHBondContact N-OD1 3.42Å; N54-D90 WeakPolarHBondContact CB-OD2 3.47Å; N54-D90 PolarHBondContact N-OD1 3.45Å; N54-D90 PolarHBondContact ND2-OD2 2.8Å; D90-T130 HydrophobicContact CB-CG2 3.88Å; D90-T130 WeakPolarHBondContact O-CG2 3.19Å
91	L	98.9	Very high	98.7	Very high	21 Å²	21	58 Å²	58	11%	0.11	27%	0.268	C	S	.	.			trans	-82.1	133.9	177.9	-59.8	-171.1	0	0	0	112.3	I50 N52 K88 N89 E95 I96 L99 G129 T130	I50-L91 HydrophobicContact CD1-CD1 4.49Å; I50-L91 HydrophobicContact CG1-CD1 4.19Å; I50-L91 HydrophobicContact CG2-CB 4.49Å; I50-L91 HydrophobicContact CG2-CD1 4.24Å; I50-L91 HydrophobicContact CG2-CG 4.43Å; N52-L91 PolarHBondContact ND2-O 3.36Å; N52-L91 VanDerWaalsContact ND2-O 3.07Å; N52-L91 PolarHBondContact OD1-N 2.8Å; K88-L91 HydrophobicContact CB-CD1 3.78Å; K88-L91 HydrophobicContact CB-CD2 4.27Å; K88-L91 HydrophobicContact CB-CG 4.08Å; K88-L91 HydrophobicContact CG-CD1 4.38Å; N89-L91 PolarHBondContact O-N 3.02Å; L91-E95 HydrophobicContact CB-CB 4.12Å; L91-E95 HydrophobicContact CD2-CB 4.22Å; L91-I96 HydrophobicContact CB-CD1 4.37Å; L91-I96 HydrophobicContact CB-CG1 3.65Å; L91-I96 HydrophobicContact CD1-CG1 4.13Å; L91-L99 HydrophobicContact CD1-CD2 3.75Å; L91-G129 CarbonylContact O-C 3.25Å; L91-G129 WeakPolarHBondContact O-CA 3.37Å; L91-T130 PolarHBondContact O-N 3.31Å
92	T	98.8	Very high	98.7	Very high	25 Å²	25	60.2 Å²	60.2	15%	0.153	28%	0.28	C	S	.	.			trans	-63.3	162	164.8	61.5	0	0	0	0	111.1	E94 E95 I96 T130 N131	T92-E94 PolarHBondContact O-N 3.09Å; T92-E95 WeakPolarHBondContact CB-OE2 3.13Å; T92-E95 WeakPolarHBondContact CG2-OE2 3.48Å; T92-E95 PolarHBondContact N-OE2 3.49Å; T92-E95 PolarHBondContact O-N 3.15Å; T92-E95 WeakPolarHBondContact OG1-CB 3.46Å; T92-E95 VanDerWaalsContact OG1-CD 3.24Å; T92-E95 WeakPolarHBondContact OG1-CG 3.36Å; T92-E95 PolarHBondContact OG1-N 2.93Å; T92-E95 PolarHBondContact OG1-OE2 3.19Å; T92-I96 WeakPolarHBondContact O-CG1 3.4Å; T92-I96 PolarHBondContact O-N 2.78Å; T92-T130 WeakPolarHBondContact CA-OG1 3.31Å; T92-T130 WeakPolarHBondContact CG2-OG1 3.35Å; T92-T130 PolarHBondContact N-OG1 2.78Å; T92-N131 WeakPolarHBondContact CA-OD1 3.41Å; T92-N131 WeakPolarHBondContact CB-OD1 3.33Å; T92-N131 HydrophobicContact CG2-CB 4.42Å
93	R	98.3	Very high	98.7	Very high	110 Å²	110	52.9 Å²	52.9	42%	0.415	25%	0.248	S	C	.	.	H	α-helix	trans	-61	-34	178.1	69.2	-176.5	-176.6	176.1	0.1	111.8	V97 N131 L134	R93-V97 VanDerWaalsContact O-CG2 3.31Å; R93-V97 WeakPolarHBondContact O-CG2 3.41Å; R93-V97 PolarHBondContact O-N 2.97Å; R93-V97 VanDerWaalsContact O-N 3.12Å; R93-N131 WeakPolarHBondContact CG-OD1 3.33Å; R93-N131 PolarHBondContact N-OD1 2.86Å; R93-L134 HydrophobicContact CB-CB 4.26Å
94	E	98.6	Very high	98.7	Very high	91 Å²	91	53 Å²	53	43%	0.425	25%	0.25	S	C	.	.	H	α-helix	trans	-67	-45.1	176.3	-67.2	75.4	-162.4	0	0	111.2	T92 V97 E98 N131	T92-E94 PolarHBondContact O-N 3.09Å; E94-V97 PolarHBondContact O-N 2.86Å; E94-E98 WeakPolarHBondContact O-CB 3.47Å; E94-E98 PolarHBondContact O-N 2.74Å; E94-N131 PolarHBondContact OE2-ND2 2.89Å
95	E	98.8	Very high	98.7	Very high	93 Å²	93	56.2 Å²	56.2	44%	0.435	26%	0.263	S	S	.	.	H	α-helix	trans	-65.5	-37.3	177.1	-71.8	165	137.5	0	0	112.4	L91 T92 E98 L99	L91-E95 HydrophobicContact CB-CB 4.12Å; L91-E95 HydrophobicContact CD2-CB 4.22Å; T92-E95 WeakPolarHBondContact CB-OE2 3.13Å; T92-E95 WeakPolarHBondContact CG2-OE2 3.48Å; T92-E95 PolarHBondContact N-OE2 3.49Å; T92-E95 PolarHBondContact O-N 3.15Å; T92-E95 WeakPolarHBondContact OG1-CB 3.46Å; T92-E95 VanDerWaalsContact OG1-CD 3.24Å; T92-E95 WeakPolarHBondContact OG1-CG 3.36Å; T92-E95 PolarHBondContact OG1-N 2.93Å; T92-E95 PolarHBondContact OG1-OE2 3.19Å; E95-E98 PolarHBondContact O-N 2.9Å; E95-L99 WeakPolarHBondContact O-CB 3.36Å; E95-L99 PolarHBondContact O-N 3.15Å
96	I	98.8	Very high	98.7	Very high	2 Å²	2	58 Å²	58	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-49	173.3	-67.4	170.4	0	0	0	109.9	I50 L91 T92 E98 L99 M100 L134 I139	I50-I96 HydrophobicContact CD1-CG1 4.24Å; I50-I96 HydrophobicContact CD1-CG2 4Å; I50-I96 HydrophobicContact CG2-CD1 4.36Å; I50-I96 HydrophobicContact CG2-CG1 4.33Å; L91-I96 HydrophobicContact CB-CD1 4.37Å; L91-I96 HydrophobicContact CB-CG1 3.65Å; L91-I96 HydrophobicContact CD1-CG1 4.13Å; T92-I96 WeakPolarHBondContact O-CG1 3.4Å; T92-I96 PolarHBondContact O-N 2.78Å; I96-E98 VanDerWaalsContact C-N 3.33Å; I96-E98 PolarHBondContact O-N 2.8Å; I96-L99 PolarHBondContact O-N 2.7Å; I96-M100 HydrophobicContact CG2-CG 4.3Å; I96-M100 WeakPolarHBondContact O-CB 3.45Å; I96-M100 WeakPolarHBondContact O-CG 3.43Å; I96-M100 PolarHBondContact O-N 2.58Å; I96-L134 HydrophobicContact CB-CD2 3.95Å; I96-L134 HydrophobicContact CG2-CD2 3.55Å; I96-I139 HydrophobicContact CG2-CD1 3.85Å; I96-I139 HydrophobicContact CG2-CG1 4.13Å
97	V	98.6	Very high	98.7	Very high	16 Å²	16	60.2 Å²	60.2	10%	0.097	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-44.8	179.4	169	0	0	0	0	111	R93 E94 M100 R101 L134 K138 F142	R93-V97 VanDerWaalsContact O-CG2 3.31Å; R93-V97 WeakPolarHBondContact O-CG2 3.41Å; R93-V97 PolarHBondContact O-N 2.97Å; R93-V97 VanDerWaalsContact O-N 3.12Å; E94-V97 PolarHBondContact O-N 2.86Å; V97-M100 PolarHBondContact O-N 2.92Å; V97-R101 VanDerWaalsContact O-CB 3.27Å; V97-R101 WeakPolarHBondContact O-CB 3.37Å; V97-R101 PolarHBondContact O-N 3.36Å; V97-L134 HydrophobicContact CG2-CD1 3.56Å; V97-L134 HydrophobicContact CG2-CD2 3.81Å; V97-L134 HydrophobicContact CG2-CG 4.36Å; V97-K138 HydrophobicContact CG2-CD 4.32Å; V97-F142 HydrophobicContact CG1-CE2 4.16Å; V97-F142 HydrophobicContact CG1-CZ 3.99Å
98	E	98.8	Very high	98.7	Very high	95 Å²	95	58.2 Å²	58.2	44%	0.444	28%	0.276	S	S	.	.	H	α-helix	trans	-67.1	-43.8	-178.9	-174.5	56.2	-158.3	0	0	111.9	E94 E95 I96 M100 R101 N102	E94-E98 WeakPolarHBondContact O-CB 3.47Å; E94-E98 PolarHBondContact O-N 2.74Å; E95-E98 PolarHBondContact O-N 2.9Å; I96-E98 VanDerWaalsContact C-N 3.33Å; I96-E98 PolarHBondContact O-N 2.8Å; E98-M100 PolarHBondContact O-N 3.31Å; E98-R101 PolarHBondContact O-N 3.07Å; E98-N102 WeakPolarHBondContact O-CB 3.49Å; E98-N102 VanDerWaalsContact O-CG 3.24Å; E98-N102 PolarHBondContact O-N 3.39Å; E98-N102 PolarHBondContact O-ND2 3.1Å; E98-N102 PolarHBondContact OE1-ND2 2.93Å; E98-N102 PolarHBondContact OE1-OD1 2.96Å
99	L	98.8	Very high	98.6	Very high	32 Å²	32	56.8 Å²	56.8	17%	0.168	28%	0.278	C	S	.	.	H	α-helix	trans	-57.8	-50.4	174.5	175.5	66	0	0	0	111.3	I48 I50 K88 L91 E95 I96 R101 N102 V103	I48-L99 HydrophobicContact CG2-CD2 4Å; I50-L99 HydrophobicContact CD1-CD2 4.24Å; I50-L99 HydrophobicContact CG1-CD2 4.2Å; K88-L99 HydrophobicContact CB-CD2 4.43Å; K88-L99 HydrophobicContact CG-CD2 3.79Å; L91-L99 HydrophobicContact CD1-CD2 3.75Å; E95-L99 WeakPolarHBondContact O-CB 3.36Å; E95-L99 PolarHBondContact O-N 3.15Å; I96-L99 PolarHBondContact O-N 2.7Å; L99-R101 PolarHBondContact O-N 3.44Å; L99-N102 PolarHBondContact O-N 2.9Å; L99-V103 HydrophobicContact CD1-CG2 4.07Å; L99-V103 HydrophobicContact CG-CG2 4.47Å; L99-V103 WeakPolarHBondContact O-CB 3.38Å; L99-V103 VanDerWaalsContact O-CG2 3.3Å; L99-V103 WeakPolarHBondContact O-CG2 3.3Å; L99-V103 PolarHBondContact O-N 2.58Å
100	M	98.6	Very high	98.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.4	-39.8	-177	-66.9	-71.5	114.6	0	0	111.6	I48 I50 I96 V97 E98 S104 I139 F142 F143	I48-M100 HydrophobicContact CB-CE 4.19Å; I48-M100 HydrophobicContact CG2-CE 3.62Å; I50-M100 HydrophobicContact CD1-CE 3.76Å; I96-M100 HydrophobicContact CG2-CG 4.3Å; I96-M100 WeakPolarHBondContact O-CB 3.45Å; I96-M100 WeakPolarHBondContact O-CG 3.43Å; I96-M100 PolarHBondContact O-N 2.58Å; V97-M100 PolarHBondContact O-N 2.92Å; E98-M100 PolarHBondContact O-N 3.31Å; M100-S104 WeakPolarHBondContact O-CB 3.26Å; M100-S104 PolarHBondContact O-N 3.34Å; M100-I139 HydrophobicContact CB-CG2 4.43Å; M100-I139 HydrophobicContact CG-CG2 3.78Å; M100-I139 HydrophobicContact SD-CG2 3.82Å; M100-F142 HydrophobicContact CB-CD2 3.91Å; M100-F142 HydrophobicContact CB-CE2 4.33Å; M100-F143 HydrophobicContact CB-CE2 4.32Å; M100-F143 HydrophobicContact SD-CE2 4.1Å; M100-F143 HydrophobicContact SD-CZ 4.42Å
101	R	98.6	Very high	98.6	Very high	90 Å²	90	56.7 Å²	56.7	34%	0.34	27%	0.269	S	S	.	.	H	α-helix	trans	-62.1	-41.1	173.5	-177	-167.8	-60	-83.8	2.3	112.2	V97 E98 L99 S104 K105 F142	V97-R101 VanDerWaalsContact O-CB 3.27Å; V97-R101 WeakPolarHBondContact O-CB 3.37Å; V97-R101 PolarHBondContact O-N 3.36Å; E98-R101 PolarHBondContact O-N 3.07Å; L99-R101 PolarHBondContact O-N 3.44Å; R101-S104 PolarHBondContact O-OG 3.06Å; R101-K105 WeakPolarHBondContact O-CG 3.46Å; R101-K105 PolarHBondContact O-N 3.48Å; R101-F142 HydrophobicContact CB-CD1 4.31Å; R101-F142 HydrophobicContact CB-CE1 4.02Å; R101-F142 HydrophobicContact CB-CE2 4.29Å; R101-F142 HydrophobicContact CB-CZ 4Å; R101-F142 HydrophobicContact CG-CD1 4.44Å; R101-F142 HydrophobicContact CG-CE1 4.1Å
102	N	98.8	Very high	98.6	Very high	74 Å²	74	55.7 Å²	55.7	40%	0.396	26%	0.264	S	S	.	.	H	α-helix	trans	-72.2	-43.3	-179.1	-72.2	-25	0	0	0	111.2	E98 L99 S104 K105 E106	E98-N102 WeakPolarHBondContact O-CB 3.49Å; E98-N102 VanDerWaalsContact O-CG 3.24Å; E98-N102 PolarHBondContact O-N 3.39Å; E98-N102 PolarHBondContact O-ND2 3.1Å; E98-N102 PolarHBondContact OE1-ND2 2.93Å; E98-N102 PolarHBondContact OE1-OD1 2.96Å; L99-N102 PolarHBondContact O-N 2.9Å; N102-S104 VanDerWaalsContact C-N 3.32Å; N102-S104 PolarHBondContact O-N 2.8Å; N102-K105 PolarHBondContact O-N 2.94Å; N102-K105 VanDerWaalsContact O-N 3.12Å; N102-E106 PolarHBondContact O-N 3.06Å
103	V	98.8	Very high	98.6	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-61.2	-40.4	174.9	171.6	0	0	0	0	111.3	L46 I48 L99 K105 E106 H108 F114 F143	L46-V103 HydrophobicContact CD1-CG1 3.8Å; I48-V103 HydrophobicContact CD1-CG2 4.14Å; I48-V103 HydrophobicContact CG1-CG1 4.28Å; I48-V103 HydrophobicContact CG1-CG2 4.35Å; L99-V103 HydrophobicContact CD1-CG2 4.07Å; L99-V103 HydrophobicContact CG-CG2 4.47Å; L99-V103 WeakPolarHBondContact O-CB 3.38Å; L99-V103 VanDerWaalsContact O-CG2 3.3Å; L99-V103 WeakPolarHBondContact O-CG2 3.3Å; L99-V103 PolarHBondContact O-N 2.58Å; V103-K105 PolarHBondContact O-N 3.2Å; V103-E106 WeakPolarHBondContact O-CB 3.29Å; V103-E106 PolarHBondContact O-N 3.46Å; V103-H108 PolarHBondContact O-CE1 3.44Å; V103-H108 PolarHBondContact O-NE2 3.25Å; V103-F114 HydrophobicContact CG1-CD2 4.45Å; V103-F114 HydrophobicContact CG1-CE2 3.63Å; V103-F114 HydrophobicContact CG1-CZ 4.21Å; V103-F143 HydrophobicContact CB-CZ 4.35Å; V103-F143 HydrophobicContact CG1-CE1 4.09Å; V103-F143 HydrophobicContact CG1-CZ 4.01Å
104	S	98.3	Very high	98.7	Very high	10 Å²	10	49.2 Å²	49.2	7%	0.07	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-18.7	178.4	82.2	0	0	0	0	113.8	M100 R101 N102 F142 C148	M100-S104 WeakPolarHBondContact O-CB 3.26Å; M100-S104 PolarHBondContact O-N 3.34Å; R101-S104 PolarHBondContact O-OG 3.06Å; N102-S104 VanDerWaalsContact C-N 3.32Å; N102-S104 PolarHBondContact O-N 2.8Å; S104-F142 WeakPolarHBondContact CB-O 3.35Å; S104-C148 PolarHBondContact O-SG 3.11Å
105	K	98.4	Very high	98.7	Very high	152 Å²	152	44.9 Å²	44.9	66%	0.661	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-7.8	176.7	-72.4	174.8	178.1	-179.2	0	113.6	R101 N102 V103	R101-K105 WeakPolarHBondContact O-CG 3.46Å; R101-K105 PolarHBondContact O-N 3.48Å; N102-K105 PolarHBondContact O-N 2.94Å; N102-K105 VanDerWaalsContact O-N 3.12Å; V103-K105 PolarHBondContact O-N 3.2Å
106	E	98.6	Very high	98.7	Very high	54 Å²	54	40.5 Å²	40.5	25%	0.252	20%	0.196	S	C	.	.	S	Bend	trans	-64.5	157	172.3	-70	179.5	-141	0	0	111.6	R86 N102 V103 H108 R111	R86-E106 IonicContact CZ-OE1 3.67Å; R86-E106 IonicContact CZ-OE2 3.83Å; R86-E106 IonicContact NH1-OE1 3.61Å; R86-E106 PolarHBondContact NH1-OE1 3.14Å; R86-E106 IonicContact NH1-OE2 2.67Å; R86-E106 PolarHBondContact NH1-OE2 3.32Å; R86-E106 IonicContact NH2-OE1 2.66Å; R86-E106 IonicContact NH2-OE2 2.82Å; R86-E106 PolarHBondContact NH2-OE2 3.26Å; N102-E106 PolarHBondContact O-N 3.06Å; V103-E106 WeakPolarHBondContact O-CB 3.29Å; V103-E106 PolarHBondContact O-N 3.46Å; E106-H108 PolarHBondContact O-CD2 3.37Å; E106-H108 PolarHBondContact O-N 2.9Å; E106-R111 IonicContact OE2-CZ 2.8Å; E106-R111 IonicContact OE2-NH1 3.5Å; E106-R111 PolarHBondContact OE2-NH1 2.95Å; E106-R111 IonicContact OE2-NH2 2.76Å; E106-R111 PolarHBondContact OE2-NH2 2.85Å
107	D	98.4	Very high	98.7	Very high	111 Å²	111	40.4 Å²	40.4	59%	0.594	20%	0.195	S	C	*	.			trans	-81.3	106.4	171.6	-176.4	11.8	0	0	0	110.7	S109	D107-S109 WeakPolarHBondContact OD1-CB 3.21Å; D107-S109 PolarHBondContact OD1-N 3.41Å; D107-S109 PolarHBondContact OD1-OG 2.71Å
108	H	98.6	Very high	98.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.192	C	C	.	.			trans	-96	13.4	176.4	-55.7	-82.2	0	0	0	113.2	V103 E106 K110 R111 S150 L151 K154	V103-H108 PolarHBondContact O-CE1 3.44Å; V103-H108 PolarHBondContact O-NE2 3.25Å; E106-H108 PolarHBondContact O-CD2 3.37Å; E106-H108 PolarHBondContact O-N 2.9Å; H108-K110 PolarHBondContact O-N 3.31Å; H108-K110 VanDerWaalsContact O-N 3.15Å; H108-R111 HydrophobicContact CB-CB 4.28Å; H108-R111 PolarHBondContact CE1-NH1 3.44Å; H108-R111 VanDerWaalsContact CE1-NH1 3.27Å; H108-R111 WeakPolarHBondContact ND1-CD 3.39Å; H108-R111 PolarHBondContact ND1-NH1 3.38Å; H108-R111 WeakPolarHBondContact O-CB 3.24Å; H108-R111 PolarHBondContact O-N 3.29Å; H108-S150 PolarHBondContact N-OG 3.04Å; H108-L151 HydrophobicContact CB-CD1 4.46Å; H108-L151 HydrophobicContact CB-CD2 3.58Å; H108-L151 HydrophobicContact CB-CG 3.69Å; H108-K154 PolarHBondContact O-NZ 2.87Å
109	S	98.4	Very high	98.7	Very high	61 Å²	61	35.3 Å²	35.3	43%	0.427	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-33.2	-173.1	-60.7	0	0	0	0	112.6	Y41 D107 K154	Y41-S109 WeakPolarHBondContact CD1-O 3.24Å; Y41-S109 WeakPolarHBondContact CE1-O 3.22Å; D107-S109 WeakPolarHBondContact OD1-CB 3.21Å; D107-S109 PolarHBondContact OD1-N 3.41Å; D107-S109 PolarHBondContact OD1-OG 2.71Å; S109-K154 PolarHBondContact O-NZ 3Å; S109-K154 VanDerWaalsContact O-NZ 3.1Å
110	K	98.6	Very high	98.7	Very high	132 Å²	132	34 Å²	34	57%	0.574	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	1.8	177.3	-61	-178	-177.3	177.8	0	114.7	Y41 P42 E43 H108	Y41-K110 WeakPolarHBondContact CB-O 3.46Å; P42-K110 WeakPolarHBondContact CD-O 2.88Å; P42-K110 HydrophobicContact CG-CB 4.4Å; E43-K110 PolarHBondContact N-O 2.76Å; H108-K110 PolarHBondContact O-N 3.31Å; H108-K110 VanDerWaalsContact O-N 3.15Å
111	R	98.8	Very high	98.6	Very high	19 Å²	19	36 Å²	36	7%	0.072	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	136.5	-177.3	-64.9	173.9	176.7	158.7	-4.5	110.3	E43 E84 E106 H108 K154	E43-R111 HydrophobicContact CB-CG 3.98Å; E43-R111 CarbonylContact O-C 3.59Å; E43-R111 VanDerWaalsContact O-CA 3.25Å; E43-R111 WeakPolarHBondContact O-CA 3.47Å; E43-R111 WeakPolarHBondContact OE2-CG 3.43Å; E43-R111 IonicContact OE2-NE 2.58Å; E43-R111 PolarHBondContact OE2-NE 3.2Å; E43-R111 VanDerWaalsContact OE2-NE 3.14Å; E84-R111 IonicContact OE2-NH2 3.89Å; E84-R111 PolarHBondContact OE2-NH2 3.11Å; E106-R111 IonicContact OE2-CZ 2.8Å; E106-R111 IonicContact OE2-NH1 3.5Å; E106-R111 PolarHBondContact OE2-NH1 2.95Å; E106-R111 IonicContact OE2-NH2 2.76Å; E106-R111 PolarHBondContact OE2-NH2 2.85Å; H108-R111 HydrophobicContact CB-CB 4.28Å; H108-R111 PolarHBondContact CE1-NH1 3.44Å; H108-R111 VanDerWaalsContact CE1-NH1 3.27Å; H108-R111 WeakPolarHBondContact ND1-CD 3.39Å; H108-R111 PolarHBondContact ND1-NH1 3.38Å; H108-R111 WeakPolarHBondContact O-CB 3.24Å; H108-R111 PolarHBondContact O-N 3.29Å; R111-K154 VanDerWaalsContact O-CD 3.24Å; R111-K154 WeakPolarHBondContact O-CD 3.4Å; R111-K154 WeakPolarHBondContact O-CE 3.36Å; R111-K154 PolarHBondContact O-NZ 3.24Å
112	S	98.7	Very high	98.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-35.4	178	-62.1	0	0	0	0	112.5	M39 Y41 E43 M44 K154	M39-S112 WeakPolarHBondContact CA-OG 3.44Å; M39-S112 PolarHBondContact O-OG 3.32Å; Y41-S112 WeakPolarHBondContact CB-OG 3.13Å; Y41-S112 PolarHBondContact N-OG 2.82Å; E43-S112 PolarHBondContact O-N 2.89Å; E43-S112 PolarHBondContact O-OG 3.05Å; M44-S112 PolarHBondContact O-N 2.71Å; S112-K154 WeakPolarHBondContact O-CB 3.44Å
113	S	98.8	Very high	97.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	176.6	-168.1	66.5	0	0	0	0	112.8	M44 G45 Y83 P155	M44-S113 PolarHBondContact O-N 3.29Å; M44-S113 PolarHBondContact O-OG 2.87Å; G45-S113 WeakPolarHBondContact CA-O 3.36Å; Y83-S113 VanDerWaalsContact CE1-OG 3.24Å; Y83-S113 WeakPolarHBondContact CE1-OG 3.41Å; Y83-S113 PolarHBondContact OH-OG 2.91Å; S113-P155 WeakPolarHBondContact CA-O 3.35Å; S113-P155 WeakPolarHBondContact CB-O 3.44Å
114	F	98.9	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.8	171.5	172.3	-105.4	0	0	0	110.7	L46 I48 V103 C116 F143 L151 P155 L157 F158	L46-F114 HydrophobicContact CB-CD2 4.16Å; L46-F114 HydrophobicContact CB-CE2 4.34Å; I48-F114 HydrophobicContact CG1-CE2 3.9Å; I48-F114 HydrophobicContact CG1-CZ 4.28Å; V103-F114 HydrophobicContact CG1-CD2 4.45Å; V103-F114 HydrophobicContact CG1-CE2 3.63Å; V103-F114 HydrophobicContact CG1-CZ 4.21Å; F114-C116 HydrophobicContact CE1-CB 3.7Å; F114-C116 HydrophobicContact CZ-CB 3.79Å; F114-F143 AromaticContact CD1-CD1 3.92Å; F114-F143 HydrophobicContact CD1-CD1 3.92Å; F114-F143 AromaticContact CD1-CE1 3.93Å; F114-F143 HydrophobicContact CD1-CE1 3.93Å; F114-F143 HydrophobicContact CD1-CG 4.41Å; F114-F143 HydrophobicContact CD1-CZ 4.44Å; F114-F143 HydrophobicContact CD2-CE1 4.2Å; F114-F143 AromaticContact CE1-CD1 3.86Å; F114-F143 HydrophobicContact CE1-CD1 3.86Å; F114-F143 HydrophobicContact CE1-CD2 4.25Å; F114-F143 AromaticContact CE1-CE1 3.56Å; F114-F143 HydrophobicContact CE1-CE1 3.56Å; F114-F143 AromaticContact CE1-CE2 3.97Å; F114-F143 HydrophobicContact CE1-CE2 3.97Å; F114-F143 HydrophobicContact CE1-CG 4.19Å; F114-F143 AromaticContact CE1-CZ 3.62Å; F114-F143 HydrophobicContact CE1-CZ 3.62Å; F114-F143 AromaticContact CE2-CE1 3.87Å; F114-F143 HydrophobicContact CE2-CE1 3.87Å; F114-F143 HydrophobicContact CE2-CZ 4.07Å; F114-F143 HydrophobicContact CG-CD1 4.39Å; F114-F143 HydrophobicContact CG-CE1 4.23Å; F114-F143 HydrophobicContact CZ-CD1 4.3Å; F114-F143 AromaticContact CZ-CE1 3.53Å; F114-F143 HydrophobicContact CZ-CE1 3.53Å; F114-F143 HydrophobicContact CZ-CE2 4.08Å; F114-F143 AromaticContact CZ-CZ 3.4Å; F114-F143 HydrophobicContact CZ-CZ 3.4Å; F114-L151 HydrophobicContact CB-CD1 3.72Å; F114-L151 HydrophobicContact CB-CD2 4.1Å; F114-L151 HydrophobicContact CG-CD1 4.14Å; F114-P155 PolarHBondContact N-O 2.95Å; F114-L157 PolarHBondContact O-N 3.22Å; F114-F158 HydrophobicContact CE1-CE1 4.45Å; F114-F158 HydrophobicContact CE1-CE2 4.32Å; F114-F158 AromaticContact CE1-CZ 3.89Å; F114-F158 HydrophobicContact CE1-CZ 3.89Å
115	V	98.9	Very high	96.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132	175.1	-177.7	0	0	0	0	110.1	L46 C47 I48 F78 Y83 V117 L157 I159	L46-V115 PolarHBondContact O-N 3.37Å; C47-V115 CarbonylContact C-O 3.43Å; C47-V115 WeakPolarHBondContact CA-O 3.44Å; C47-V115 HydrophobicContact CB-CB 4.07Å; C47-V115 HydrophobicContact CB-CG1 4.41Å; I48-V115 PolarHBondContact N-O 3.44Å; F78-V115 HydrophobicContact CE1-CB 4.48Å; F78-V115 HydrophobicContact CE1-CG1 3.95Å; F78-V115 HydrophobicContact CE1-CG2 4.05Å; F78-V115 HydrophobicContact CZ-CG1 3.95Å; Y83-V115 HydrophobicContact CD1-CG2 4.12Å; Y83-V115 HydrophobicContact CE1-CB 4.39Å; Y83-V115 HydrophobicContact CE1-CG2 3.48Å; Y83-V115 VanDerWaalsContact CE1-CG2 3.48Å; V115-V117 HydrophobicContact CG1-CG2 4.03Å; V115-L157 CarbonylContact C-O 3.45Å; V115-L157 WeakPolarHBondContact CA-O 3.37Å; V115-L157 HydrophobicContact CG2-CB 4.18Å; V115-L157 HydrophobicContact CG2-CD1 4.06Å; V115-L157 HydrophobicContact CG2-CG 4.39Å; V115-I159 HydrophobicContact CG1-CD1 4.03Å
116	C	98.9	Very high	95.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126	169.3	-175.6	0	0	0	0	109.6	I48 F114 L157 F158 I159	I48-C116 CarbonylContact O-C 3.58Å; I48-C116 WeakPolarHBondContact O-CA 3.48Å; F114-C116 HydrophobicContact CE1-CB 3.7Å; F114-C116 HydrophobicContact CZ-CB 3.79Å; C116-L157 PolarHBondContact N-O 2.87Å; C116-F158 HydrophobicContact CB-CD1 3.73Å; C116-F158 HydrophobicContact CB-CE1 3.64Å; C116-F158 HydrophobicContact CB-CG 4.45Å; C116-F158 HydrophobicContact CB-CZ 4.3Å; C116-F158 CarbonylContact O-C 3.57Å; C116-F158 WeakPolarHBondContact O-CA 3.37Å; C116-I159 PolarHBondContact O-N 3.38Å
117	V	98.9	Very high	95.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.5	177.5	-167.1	0	0	0	0	109.4	I48 I49 I50 L74 F78 V115 L119 I159	I48-V117 PolarHBondContact O-N 2.94Å; I49-V117 HydrophobicContact CG1-CB 4.19Å; I49-V117 HydrophobicContact CG1-CG2 4.19Å; I50-V117 PolarHBondContact N-O 2.74Å; L74-V117 HydrophobicContact CD1-CG1 3.64Å; L74-V117 HydrophobicContact CD2-CG1 4.34Å; F78-V117 HydrophobicContact CE2-CG2 4.46Å; V115-V117 HydrophobicContact CG1-CG2 4.03Å; V117-L119 HydrophobicContact CG1-CD2 3.87Å; V117-L119 HydrophobicContact CG1-CG 4.38Å; V117-I159 CarbonylContact C-O 3.45Å; V117-I159 VanDerWaalsContact CA-O 3.31Å; V117-I159 WeakPolarHBondContact CA-O 3.3Å; V117-I159 HydrophobicContact CB-CB 4.48Å; V117-I159 HydrophobicContact CG1-CB 4.12Å; V117-I159 HydrophobicContact CG1-CG2 4.05Å; V117-I159 HydrophobicContact CG2-CB 4.19Å; V117-I159 HydrophobicContact CG2-CD1 4.15Å
118	L	98.8	Very high	95.7	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	113.6	-179.9	-59.1	177.3	0	0	0	109.5	I50 I127 L136 I139 I159 I160 Q161	I50-L118 HydrophobicContact CB-CD2 4.09Å; I50-L118 HydrophobicContact CD1-CD2 3.57Å; I50-L118 HydrophobicContact CG1-CD2 4.28Å; L118-I127 HydrophobicContact CB-CD1 4.2Å; L118-I127 HydrophobicContact CB-CG1 4.33Å; L118-I127 HydrophobicContact CD1-CG1 4.39Å; L118-I127 HydrophobicContact CD1-CG2 4.45Å; L118-L136 HydrophobicContact CD1-CD2 3.54Å; L118-I139 HydrophobicContact CD1-CD1 4.07Å; L118-I159 PolarHBondContact N-O 2.85Å; L118-I160 HydrophobicContact CD1-CG1 4.4Å; L118-Q161 PolarHBondContact O-N 3.17Å
119	L	98.8	Very high	95.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	98.7	175.2	-45.2	177.3	0	0	0	108.7	I49 I50 N51 N52 R64 D70 A71 L74 V117 Q161 I216	I49-L119 HydrophobicContact CG2-CD1 4.27Å; I50-L119 PolarHBondContact O-N 2.9Å; N51-L119 HydrophobicContact CB-CD1 4.35Å; N52-L119 PolarHBondContact N-O 2.9Å; R64-L119 PolarHBondContact NH1-O 2.84Å; D70-L119 HydrophobicContact CB-CD1 3.94Å; A71-L119 HydrophobicContact CB-CD1 3.99Å; L74-L119 HydrophobicContact CD1-CD1 4.01Å; L74-L119 HydrophobicContact CD1-CD2 3.91Å; L74-L119 HydrophobicContact CD1-CG 4.41Å; V117-L119 HydrophobicContact CG1-CD2 3.87Å; V117-L119 HydrophobicContact CG1-CG 4.38Å; L119-Q161 HydrophobicContact CD2-CB 3.68Å; L119-Q161 HydrophobicContact CD2-CG 4.28Å; L119-I216 HydrophobicContact CD2-CD1 4.15Å; L119-I216 HydrophobicContact CD2-CG1 4.06Å
120	S	98.3	Very high	95.7	Very high	5 Å²	5	24.6 Å²	24.6	4%	0.035	13%	0.125	C	C	.	.	S	Bend	trans	-155	-174.5	-178.4	-159.1	0	0	0	0	112.6	N52 F55 R64 F128 Q161	N52-S120 WeakPolarHBondContact CB-OG 3.25Å; F55-S120 WeakPolarHBondContact CE1-OG 3.33Å; F55-S120 VanDerWaalsContact CZ-OG 3.32Å; F55-S120 WeakPolarHBondContact CZ-OG 3.44Å; R64-S120 VanDerWaalsContact CD-C 3.48Å; R64-S120 PolarHBondContact NE-O 2.86Å; R64-S120 VanDerWaalsContact NE-O 3.07Å; S120-F128 WeakPolarHBondContact CB-O 3.25Å; S120-F128 PolarHBondContact OG-O 2.85Å; S120-Q161 PolarHBondContact N-O 2.64Å
121	H	96.7	Very high	95.7	Very high	43 Å²	43	20.5 Å²	20.5	20%	0.199	11%	0.109	C	C	.	.			trans	-73.8	158.7	156.9	-67.3	-62.2	0	0	0	109.3	F55 M61 A62 I127 F128	F55-H121 AromaticContact CD2-CD2 3.73Å; F55-H121 AromaticContact CE1-CD2 3.96Å; F55-H121 AromaticContact CE2-CD2 3.32Å; F55-H121 WeakPolarHBondContact CE2-CD2 3.4Å; F55-H121 AromaticContact CE2-NE2 3.73Å; F55-H121 HydrophobicContact CZ-CB 4.48Å; F55-H121 AromaticContact CZ-CD2 3.44Å; F55-H121 VanDerWaalsContact CZ-CD2 3.44Å; F55-H121 WeakPolarHBondContact CZ-CD2 3.46Å; M61-H121 HydrophobicContact SD-CB 3.84Å; M61-H121 VanDerWaalsContact SD-CD2 3.59Å; A62-H121 PolarHBondContact O-NE2 3.13Å; H121-I127 WeakPolarHBondContact O-CD1 3.49Å; H121-F128 HydrophobicContact CB-CB 4.19Å; H121-F128 HydrophobicContact CB-CD2 4.04Å; H121-F128 HydrophobicContact CB-CG 4.28Å; H121-F128 PolarHBondContact O-N 2.82Å
122	G	92.3	Very high	95.6	Very high	9 Å²	9	19.9 Å²	19.9	9%	0.093	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	169.4	-178.6	0	0	0	0	0	112.4	I126 C163	G122-I126 WeakPolarHBondContact CA-O 3.24Å; G122-C163 CarbonylContact C-O 3.57Å; G122-C163 WeakPolarHBondContact CA-O 3.48Å; G122-C163 WeakPolarHBondContact O-CB 3.2Å
123	E	84.9	Confident	95.5	Very high	105 Å²	105	23 Å²	23	49%	0.491	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	179.7	170.8	-69	173.9	-164.4	0	0	107.5	G125 I126 F128 C163	E123-G125 PolarHBondContact O-N 3.14Å; E123-I126 HydrophobicContact CB-CB 4.24Å; E123-I126 PolarHBondContact N-O 3.06Å; E123-I126 VanDerWaalsContact N-O 3.11Å; E123-I126 PolarHBondContact O-N 3.31Å; E123-I126 VanDerWaalsContact O-O 3.08Å; E123-F128 HydrophobicContact CG-CE2 4.31Å; E123-C163 PolarHBondContact N-O 2.91Å
124	E	83.6	Confident	95.2	Very high	94 Å²	94	23.5 Å²	23.5	44%	0.439	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	117.4	179.5	-170.3	53.9	-137.3	0	0	110.8	I126 R164 P201 G202	E124-I126 PolarHBondContact O-N 3.2Å; E124-R164 WeakPolarHBondContact CB-O 3.32Å; E124-R164 PolarHBondContact N-O 3.41Å; E124-R164 IonicContact OE1-CZ 2.67Å; E124-R164 IonicContact OE1-NE 2.71Å; E124-R164 IonicContact OE1-NH2 2.67Å; E124-R164 PolarHBondContact OE1-NH2 3.2Å; E124-R164 WeakPolarHBondContact OE2-CB 3.42Å; E124-R164 IonicContact OE2-CZ 2.7Å; E124-R164 IonicContact OE2-NE 3.41Å; E124-R164 PolarHBondContact OE2-NE 3.36Å; E124-R164 IonicContact OE2-NH2 2.77Å; E124-R164 PolarHBondContact OE2-NH2 2.9Å; E124-P201 WeakPolarHBondContact OE2-CA 3.31Å; E124-G202 PolarHBondContact OE2-N 2.97Å
125	G	82.7	Confident	94.9	Very high	32 Å²	32	28 Å²	28	33%	0.33	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	0.3	-177.5	0	0	0	0	0	116.3	E123 L136	E123-G125 PolarHBondContact O-N 3.14Å; G125-L136 WeakPolarHBondContact O-CB 3.46Å; G125-L136 PolarHBondContact O-N 3.41Å
126	I	92.6	Very high	94.6	Very high	38 Å²	38	28.6 Å²	28.6	20%	0.195	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.5	-172.6	-64.7	175	0	0	0	111.2	G122 E123 E124 F128 P133	G122-I126 WeakPolarHBondContact CA-O 3.24Å; E123-I126 HydrophobicContact CB-CB 4.24Å; E123-I126 PolarHBondContact N-O 3.06Å; E123-I126 VanDerWaalsContact N-O 3.11Å; E123-I126 PolarHBondContact O-N 3.31Å; E123-I126 VanDerWaalsContact O-O 3.08Å; E124-I126 PolarHBondContact O-N 3.2Å; I126-F128 HydrophobicContact CG2-CD2 4.36Å; I126-F128 HydrophobicContact CG2-CE2 4.1Å; I126-P133 HydrophobicContact CG2-CB 3.49Å; I126-P133 VanDerWaalsContact CG2-CB 3.49Å
127	I	95.7	Very high	94.2	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	144.3	167.6	-165.1	73.8	0	0	0	109.9	L118 H121 L134 L136 I139 A162	L118-I127 HydrophobicContact CB-CD1 4.2Å; L118-I127 HydrophobicContact CB-CG1 4.33Å; L118-I127 HydrophobicContact CD1-CG1 4.39Å; L118-I127 HydrophobicContact CD1-CG2 4.45Å; H121-I127 WeakPolarHBondContact O-CD1 3.49Å; I127-L134 HydrophobicContact CG2-CB 4.25Å; I127-L134 PolarHBondContact N-O 3.33Å; I127-L134 WeakPolarHBondContact O-CB 3.46Å; I127-L134 PolarHBondContact O-N 2.89Å; I127-L136 HydrophobicContact CB-CD2 3.85Å; I127-L136 HydrophobicContact CB-CG 4.4Å; I127-L136 HydrophobicContact CG2-CD2 3.9Å; I127-I139 HydrophobicContact CG2-CD1 3.58Å; I127-A162 HydrophobicContact CD1-CB 3.53Å
128	F	98	Very high	93.9	Very high	29 Å²	29	41 Å²	41	13%	0.127	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.2	178.8	-76.4	-99.9	0	0	0	112.3	N52 F55 M61 S120 H121 E123 I126 P133	N52-F128 PolarHBondContact ND2-O 3.21Å; F55-F128 HydrophobicContact CE1-CB 4Å; M61-F128 HydrophobicContact CE-CB 4.07Å; M61-F128 HydrophobicContact CE-CD1 3.34Å; M61-F128 HydrophobicContact CE-CE1 4.03Å; M61-F128 HydrophobicContact CE-CG 3.95Å; M61-F128 HydrophobicContact SD-CB 4.06Å; M61-F128 HydrophobicContact SD-CD1 3.54Å; M61-F128 VanDerWaalsContact SD-CD1 3.54Å; M61-F128 HydrophobicContact SD-CD2 4.41Å; M61-F128 HydrophobicContact SD-CE1 4.02Å; M61-F128 HydrophobicContact SD-CG 3.74Å; S120-F128 WeakPolarHBondContact CB-O 3.25Å; S120-F128 PolarHBondContact OG-O 2.85Å; H121-F128 HydrophobicContact CB-CB 4.19Å; H121-F128 HydrophobicContact CB-CD2 4.04Å; H121-F128 HydrophobicContact CB-CG 4.28Å; H121-F128 PolarHBondContact O-N 2.82Å; E123-F128 HydrophobicContact CG-CE2 4.31Å; I126-F128 HydrophobicContact CG2-CD2 4.36Å; I126-F128 HydrophobicContact CG2-CE2 4.1Å; F128-P133 HydrophobicContact CD1-CB 4.22Å; F128-P133 HydrophobicContact CE1-CB 3.91Å; F128-P133 HydrophobicContact CE1-CG 4.34Å; F128-P133 HydrophobicContact CZ-CB 4.1Å
129	G	98.6	Very high	93.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	168.8	150.9	0	0	0	0	0	110.3	L91 N131 G132	L91-G129 CarbonylContact O-C 3.25Å; L91-G129 WeakPolarHBondContact O-CA 3.37Å; G129-N131 PolarHBondContact O-N 3.23Å; G129-N131 VanDerWaalsContact O-N 3.09Å; G129-G132 PolarHBondContact N-O 3.1Å; G129-G132 PolarHBondContact O-N 3.06Å
130	T	98.6	Very high	93.6	Very high	4 Å²	4	41 Å²	41	3%	0.025	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-24	-179.9	55.6	0	0	0	0	113.8	N54 H56 D90 L91 T92	N54-T130 WeakPolarHBondContact O-CG2 3.45Å; H56-T130 WeakPolarHBondContact CB-O 3.37Å; H56-T130 PolarHBondContact N-O 3.25Å; D90-T130 HydrophobicContact CB-CG2 3.88Å; D90-T130 WeakPolarHBondContact O-CG2 3.19Å; L91-T130 PolarHBondContact O-N 3.31Å; T92-T130 WeakPolarHBondContact CA-OG1 3.31Å; T92-T130 WeakPolarHBondContact CG2-OG1 3.35Å; T92-T130 PolarHBondContact N-OG1 2.78Å
131	N	98.1	Very high	93.4	Very high	46 Å²	46	42.6 Å²	42.6	25%	0.246	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-2.6	-177.9	66.9	-24	0	0	0	115	H56 T92 R93 E94 G129	H56-N131 WeakPolarHBondContact ND1-CB 3.42Å; T92-N131 WeakPolarHBondContact CA-OD1 3.41Å; T92-N131 WeakPolarHBondContact CB-OD1 3.33Å; T92-N131 HydrophobicContact CG2-CB 4.42Å; R93-N131 WeakPolarHBondContact CG-OD1 3.33Å; R93-N131 PolarHBondContact N-OD1 2.86Å; E94-N131 PolarHBondContact OE2-ND2 2.89Å; G129-N131 PolarHBondContact O-N 3.23Å; G129-N131 VanDerWaalsContact O-N 3.09Å
132	G	96.6	Very high	93.4	Very high	6 Å²	6	41.7 Å²	41.7	6%	0.062	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.7	-179.4	-179.8	0	0	0	0	0	115.3	G129	G129-G132 PolarHBondContact N-O 3.1Å; G129-G132 PolarHBondContact O-N 3.06Å
133	P	96.3	Very high	93.6	Very high	64 Å²	64	41.3 Å²	41.3	42%	0.416	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	157.1	-173.8	31	-35.7	0	0	0	113.1	I126 F128	I126-P133 HydrophobicContact CG2-CB 3.49Å; I126-P133 VanDerWaalsContact CG2-CB 3.49Å; F128-P133 HydrophobicContact CD1-CB 4.22Å; F128-P133 HydrophobicContact CE1-CB 3.91Å; F128-P133 HydrophobicContact CE1-CG 4.34Å; F128-P133 HydrophobicContact CZ-CB 4.1Å
134	L	93.1	Very high	93.9	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.063	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	132.5	176.3	179.4	62.5	0	0	0	110.1	R93 I96 V97 I127 L136 K138 I139	R93-L134 HydrophobicContact CB-CB 4.26Å; I96-L134 HydrophobicContact CB-CD2 3.95Å; I96-L134 HydrophobicContact CG2-CD2 3.55Å; V97-L134 HydrophobicContact CG2-CD1 3.56Å; V97-L134 HydrophobicContact CG2-CD2 3.81Å; V97-L134 HydrophobicContact CG2-CG 4.36Å; I127-L134 HydrophobicContact CG2-CB 4.25Å; I127-L134 PolarHBondContact N-O 3.33Å; I127-L134 WeakPolarHBondContact O-CB 3.46Å; I127-L134 PolarHBondContact O-N 2.89Å; L134-L136 PolarHBondContact O-N 3.41Å; L134-K138 HydrophobicContact CD1-CB 4.4Å; L134-K138 HydrophobicContact CD1-CD 3.86Å; L134-K138 HydrophobicContact CD1-CG 4.41Å; L134-I139 HydrophobicContact CD2-CD1 3.73Å; L134-I139 HydrophobicContact CD2-CG1 3.71Å; L134-I139 HydrophobicContact CG-CD1 4.28Å; L134-I139 HydrophobicContact CG-CG1 4.22Å
135	D	93.4	Very high	93.8	Very high	94 Å²	94	35.5 Å²	35.5	50%	0.503	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	128.6	176.1	-59	-27.4	0	0	0	111.1	K137 K138 I139	D135-K137 PolarHBondContact O-N 2.95Å; D135-K138 HydrophobicContact CB-CB 4.22Å; D135-K138 WeakPolarHBondContact O-CB 3.5Å; D135-K138 PolarHBondContact O-N 2.77Å; D135-I139 PolarHBondContact O-N 2.96Å
136	L	92.1	Very high	93.9	Very high	13 Å²	13	37 Å²	37	7%	0.068	19%	0.19	C	C	.	.	H	α-helix	trans	-58.6	-33.8	173	-74.3	172.7	0	0	0	111.7	L118 G125 I127 L134 K138 I139 T140 I160 Y197	L118-L136 HydrophobicContact CD1-CD2 3.54Å; G125-L136 WeakPolarHBondContact O-CB 3.46Å; G125-L136 PolarHBondContact O-N 3.41Å; I127-L136 HydrophobicContact CB-CD2 3.85Å; I127-L136 HydrophobicContact CB-CG 4.4Å; I127-L136 HydrophobicContact CG2-CD2 3.9Å; L134-L136 PolarHBondContact O-N 3.41Å; L136-K138 VanDerWaalsContact C-N 3.26Å; L136-K138 PolarHBondContact O-N 2.72Å; L136-I139 HydrophobicContact CD2-CD1 4.48Å; L136-I139 PolarHBondContact O-N 3.48Å; L136-T140 WeakPolarHBondContact O-CG2 3.35Å; L136-T140 PolarHBondContact O-N 3.49Å; L136-T140 PolarHBondContact O-OG1 2.9Å; L136-I160 HydrophobicContact CD1-CD1 4.09Å; L136-I160 HydrophobicContact CD2-CD1 4.16Å; L136-Y197 HydrophobicContact CD1-CE1 3.98Å
137	K	90.2	Very high	93.8	Very high	158 Å²	158	38.7 Å²	38.7	69%	0.687	20%	0.204	S	C	*	.	H	α-helix	trans	-59.8	-36.5	174.8	-170.6	173.7	-177.3	175.9	0	112.1	D135 T140 S141	D135-K137 PolarHBondContact O-N 2.95Å; K137-T140 WeakPolarHBondContact CA-OG1 3.15Å; K137-T140 PolarHBondContact O-OG1 2.94Å; K137-S141 WeakPolarHBondContact O-CB 3.35Å; K137-S141 PolarHBondContact O-N 3.14Å; K137-S141 PolarHBondContact O-OG 2.9Å
138	K	92.8	Very high	93.8	Very high	101 Å²	101	38.7 Å²	38.7	44%	0.439	20%	0.204	S	C	.	.	H	α-helix	trans	-66.4	-42.9	177.9	-175.8	167.5	175.4	-179.8	0	111.3	V97 L134 D135 L136 S141 F142	V97-K138 HydrophobicContact CG2-CD 4.32Å; L134-K138 HydrophobicContact CD1-CB 4.4Å; L134-K138 HydrophobicContact CD1-CD 3.86Å; L134-K138 HydrophobicContact CD1-CG 4.41Å; D135-K138 HydrophobicContact CB-CB 4.22Å; D135-K138 WeakPolarHBondContact O-CB 3.5Å; D135-K138 PolarHBondContact O-N 2.77Å; L136-K138 VanDerWaalsContact C-N 3.26Å; L136-K138 PolarHBondContact O-N 2.72Å; K138-S141 PolarHBondContact O-OG 3.49Å; K138-F142 WeakPolarHBondContact O-CD2 3.36Å
139	I	95.9	Very high	93.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-50.2	176.4	-65.1	171.4	0	0	0	111	I96 M100 L118 I127 L134 D135 L136 F142 F158	I96-I139 HydrophobicContact CG2-CD1 3.85Å; I96-I139 HydrophobicContact CG2-CG1 4.13Å; M100-I139 HydrophobicContact CB-CG2 4.43Å; M100-I139 HydrophobicContact CG-CG2 3.78Å; M100-I139 HydrophobicContact SD-CG2 3.82Å; L118-I139 HydrophobicContact CD1-CD1 4.07Å; I127-I139 HydrophobicContact CG2-CD1 3.58Å; L134-I139 HydrophobicContact CD2-CD1 3.73Å; L134-I139 HydrophobicContact CD2-CG1 3.71Å; L134-I139 HydrophobicContact CG-CD1 4.28Å; L134-I139 HydrophobicContact CG-CG1 4.22Å; D135-I139 PolarHBondContact O-N 2.96Å; L136-I139 HydrophobicContact CD2-CD1 4.48Å; L136-I139 PolarHBondContact O-N 3.48Å; I139-F142 WeakPolarHBondContact O-CD2 3.4Å; I139-F158 HydrophobicContact CG2-CE1 3.94Å
140	T	94.8	Very high	93.5	Very high	6 Å²	6	46.9 Å²	46.9	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-73.9	-29.4	-172.6	51.2	0	0	0	0	112.7	L136 K137 F142 F143 F158 Y195	L136-T140 WeakPolarHBondContact O-CG2 3.35Å; L136-T140 PolarHBondContact O-N 3.49Å; L136-T140 PolarHBondContact O-OG1 2.9Å; K137-T140 WeakPolarHBondContact CA-OG1 3.15Å; K137-T140 PolarHBondContact O-OG1 2.94Å; T140-F142 PolarHBondContact O-N 3.28Å; T140-F142 VanDerWaalsContact O-N 3.11Å; T140-F143 PolarHBondContact O-N 3.36Å; T140-F158 HydrophobicContact CG2-CD1 3.71Å; T140-F158 HydrophobicContact CG2-CD2 4.1Å; T140-F158 HydrophobicContact CG2-CE1 3.58Å; T140-F158 HydrophobicContact CG2-CE2 3.99Å; T140-F158 HydrophobicContact CG2-CG 3.97Å; T140-F158 HydrophobicContact CG2-CZ 3.72Å; T140-Y195 HydrophobicContact CG2-CE1 3.59Å
141	S	95	Very high	93.4	Very high	37 Å²	37	46.8 Å²	46.8	26%	0.259	24%	0.237	S	C	.	.	H	α-helix	trans	-56.6	-29.3	178	70.3	0	0	0	0	114.3	K137 K138 F143 R144	K137-S141 WeakPolarHBondContact O-CB 3.35Å; K137-S141 PolarHBondContact O-N 3.14Å; K137-S141 PolarHBondContact O-OG 2.9Å; K138-S141 PolarHBondContact O-OG 3.49Å; S141-F143 PolarHBondContact O-N 3.39Å; S141-R144 PolarHBondContact O-N 3.46Å
142	F	97.1	Very high	93.2	Very high	25 Å²	25	48 Å²	48	11%	0.11	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.3	176.8	-67.6	-55.2	0	0	0	113.2	V97 M100 R101 S104 K138 I139 T140 C147	V97-F142 HydrophobicContact CG1-CE2 4.16Å; V97-F142 HydrophobicContact CG1-CZ 3.99Å; M100-F142 HydrophobicContact CB-CD2 3.91Å; M100-F142 HydrophobicContact CB-CE2 4.33Å; R101-F142 HydrophobicContact CB-CD1 4.31Å; R101-F142 HydrophobicContact CB-CE1 4.02Å; R101-F142 HydrophobicContact CB-CE2 4.29Å; R101-F142 HydrophobicContact CB-CZ 4Å; R101-F142 HydrophobicContact CG-CD1 4.44Å; R101-F142 HydrophobicContact CG-CE1 4.1Å; S104-F142 WeakPolarHBondContact CB-O 3.35Å; K138-F142 WeakPolarHBondContact O-CD2 3.36Å; I139-F142 WeakPolarHBondContact O-CD2 3.4Å; T140-F142 PolarHBondContact O-N 3.28Å; T140-F142 VanDerWaalsContact O-N 3.11Å; F142-C147 WeakPolarHBondContact O-CB 3.25Å
143	F	96.5	Very high	93.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	5.3	-174.3	-62.7	-86.5	0	0	0	113.6	M100 V103 F114 T140 S141 L151 K156 F158 F193	M100-F143 HydrophobicContact CB-CE2 4.32Å; M100-F143 HydrophobicContact SD-CE2 4.1Å; M100-F143 HydrophobicContact SD-CZ 4.42Å; V103-F143 HydrophobicContact CB-CZ 4.35Å; V103-F143 HydrophobicContact CG1-CE1 4.09Å; V103-F143 HydrophobicContact CG1-CZ 4.01Å; F114-F143 AromaticContact CD1-CD1 3.92Å; F114-F143 HydrophobicContact CD1-CD1 3.92Å; F114-F143 AromaticContact CD1-CE1 3.93Å; F114-F143 HydrophobicContact CD1-CE1 3.93Å; F114-F143 HydrophobicContact CD1-CG 4.41Å; F114-F143 HydrophobicContact CD1-CZ 4.44Å; F114-F143 HydrophobicContact CD2-CE1 4.2Å; F114-F143 AromaticContact CE1-CD1 3.86Å; F114-F143 HydrophobicContact CE1-CD1 3.86Å; F114-F143 HydrophobicContact CE1-CD2 4.25Å; F114-F143 AromaticContact CE1-CE1 3.56Å; F114-F143 HydrophobicContact CE1-CE1 3.56Å; F114-F143 AromaticContact CE1-CE2 3.97Å; F114-F143 HydrophobicContact CE1-CE2 3.97Å; F114-F143 HydrophobicContact CE1-CG 4.19Å; F114-F143 AromaticContact CE1-CZ 3.62Å; F114-F143 HydrophobicContact CE1-CZ 3.62Å; F114-F143 AromaticContact CE2-CE1 3.87Å; F114-F143 HydrophobicContact CE2-CE1 3.87Å; F114-F143 HydrophobicContact CE2-CZ 4.07Å; F114-F143 HydrophobicContact CG-CD1 4.39Å; F114-F143 HydrophobicContact CG-CE1 4.23Å; F114-F143 HydrophobicContact CZ-CD1 4.3Å; F114-F143 AromaticContact CZ-CE1 3.53Å; F114-F143 HydrophobicContact CZ-CE1 3.53Å; F114-F143 HydrophobicContact CZ-CE2 4.08Å; F114-F143 AromaticContact CZ-CZ 3.4Å; F114-F143 HydrophobicContact CZ-CZ 3.4Å; T140-F143 PolarHBondContact O-N 3.36Å; S141-F143 PolarHBondContact O-N 3.39Å; F143-L151 HydrophobicContact CD1-CD1 3.87Å; F143-L151 HydrophobicContact CE1-CD1 4.39Å; F143-K156 HydrophobicContact CB-CD 4.07Å; F143-K156 WeakPolarHBondContact O-CD 3.34Å; F143-F158 AromaticContact CD2-CZ 3.84Å; F143-F158 HydrophobicContact CD2-CZ 3.84Å; F143-F158 HydrophobicContact CE2-CZ 4.33Å; F143-F158 HydrophobicContact CG-CZ 4.36Å; F143-F193 HydrophobicContact CB-CE1 4.1Å; F143-F193 HydrophobicContact CB-CZ 3.81Å; F143-F193 WeakPolarHBondContact O-CZ 3.46Å
144	R	91	Very high	93.2	Very high	63 Å²	63	47.5 Å²	47.5	24%	0.238	25%	0.248	C	C	.	.	S	Bend	trans	-56.7	152.4	172.9	-75.3	167.3	43	158.2	-11.8	111.1	S141 D146 C147 C148 E190	S141-R144 PolarHBondContact O-N 3.46Å; R144-D146 WeakPolarHBondContact CB-OD1 3.42Å; R144-D146 IonicContact CZ-OD1 3.02Å; R144-D146 IonicContact CZ-OD2 3.39Å; R144-D146 IonicContact NE-OD1 3.17Å; R144-D146 PolarHBondContact NE-OD1 3Å; R144-D146 IonicContact NE-OD2 3.69Å; R144-D146 IonicContact NH2-OD1 3.47Å; R144-D146 PolarHBondContact NH2-OD1 3.21Å; R144-D146 IonicContact NH2-OD2 3.03Å; R144-D146 PolarHBondContact NH2-OD2 2.98Å; R144-D146 PolarHBondContact O-N 2.98Å; R144-D146 VanDerWaalsContact O-N 3.11Å; R144-C147 HydrophobicContact CB-CB 4.43Å; R144-C147 PolarHBondContact O-N 2.95Å; R144-C148 PolarHBondContact O-N 3.09Å; R144-E190 WeakPolarHBondContact CD-OE1 2.86Å
145	G	81.3	Confident	93.5	Very high	15 Å²	15	47 Å²	47	16%	0.155	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.5	-177	0	0	0	0	0	114.1	R149 T152	G145-R149 WeakPolarHBondContact O-CD 3.42Å; G145-T152 PolarHBondContact O-OG1 3.24Å
146	D	85.3	Confident	93.7	Very high	63 Å²	63	42.5 Å²	42.5	34%	0.337	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-23.6	174.9	60.7	-38.3	0	0	0	114.1	R144 R149 V189	R144-D146 WeakPolarHBondContact CB-OD1 3.42Å; R144-D146 IonicContact CZ-OD1 3.02Å; R144-D146 IonicContact CZ-OD2 3.39Å; R144-D146 IonicContact NE-OD1 3.17Å; R144-D146 PolarHBondContact NE-OD1 3Å; R144-D146 IonicContact NE-OD2 3.69Å; R144-D146 IonicContact NH2-OD1 3.47Å; R144-D146 PolarHBondContact NH2-OD1 3.21Å; R144-D146 IonicContact NH2-OD2 3.03Å; R144-D146 PolarHBondContact NH2-OD2 2.98Å; R144-D146 PolarHBondContact O-N 2.98Å; R144-D146 VanDerWaalsContact O-N 3.11Å; D146-R149 PolarHBondContact O-NE 3.29Å; D146-V189 HydrophobicContact CB-CG1 4.49Å
147	C	90.1	Very high	94	Very high	74 Å²	74	42 Å²	42	50%	0.5	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-33.7	-177.7	-60.6	0	0	0	0	113.8	F142 R144	F142-C147 WeakPolarHBondContact O-CB 3.25Å; R144-C147 HydrophobicContact CB-CB 4.43Å; R144-C147 PolarHBondContact O-N 2.95Å
148	C	94.3	Very high	94.4	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.02	19%	0.187	C	C	.	.			trans	-125.3	81.7	179.8	-169.9	0	0	0	0	110.6	S104 R144 S150 L151 T152	S104-C148 PolarHBondContact O-SG 3.11Å; R144-C148 PolarHBondContact O-N 3.09Å; C148-S150 VanDerWaalsContact C-N 3.32Å; C148-S150 PolarHBondContact O-N 2.92Å; C148-L151 PolarHBondContact O-N 3.28Å; C148-L151 VanDerWaalsContact O-N 3.13Å; C148-T152 PolarHBondContact O-N 2.94Å
149	R	93.1	Very high	94.7	Very high	176 Å²	176	29.8 Å²	29.8	66%	0.664	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-61.6	-36.7	-171.4	-65.9	-69.1	175.9	173	4.3	113.5	G145 D146 L151 T152	G145-R149 WeakPolarHBondContact O-CD 3.42Å; D146-R149 PolarHBondContact O-NE 3.29Å; R149-L151 PolarHBondContact O-N 3.42Å; R149-T152 WeakPolarHBondContact O-CB 3.41Å; R149-T152 PolarHBondContact O-N 3.42Å; R149-T152 VanDerWaalsContact O-N 3.09Å; R149-T152 PolarHBondContact O-OG1 2.81Å
150	S	97.6	Very high	94.8	Very high	25 Å²	25	30 Å²	30	18%	0.175	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-68.2	-11.4	179.7	54.7	0	0	0	0	114.2	H108 C148 K154	H108-S150 PolarHBondContact N-OG 3.04Å; C148-S150 VanDerWaalsContact C-N 3.32Å; C148-S150 PolarHBondContact O-N 2.92Å; S150-K154 PolarHBondContact O-NZ 2.98Å; S150-K154 VanDerWaalsContact O-NZ 3.15Å
151	L	97.6	Very high	95	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-110.2	8.3	172.9	-70.3	176.8	0	0	0	114.1	H108 F114 F143 C148 R149 G153 K154 K156	H108-L151 HydrophobicContact CB-CD1 4.46Å; H108-L151 HydrophobicContact CB-CD2 3.58Å; H108-L151 HydrophobicContact CB-CG 3.69Å; F114-L151 HydrophobicContact CB-CD1 3.72Å; F114-L151 HydrophobicContact CB-CD2 4.1Å; F114-L151 HydrophobicContact CG-CD1 4.14Å; F143-L151 HydrophobicContact CD1-CD1 3.87Å; F143-L151 HydrophobicContact CE1-CD1 4.39Å; C148-L151 PolarHBondContact O-N 3.28Å; C148-L151 VanDerWaalsContact O-N 3.13Å; R149-L151 PolarHBondContact O-N 3.42Å; L151-G153 PolarHBondContact O-N 3.32Å; L151-K154 HydrophobicContact CD2-CB 4.46Å; L151-K154 HydrophobicContact CD2-CD 4.29Å; L151-K154 PolarHBondContact O-N 2.96Å; L151-K156 HydrophobicContact CB-CD 4.41Å; L151-K156 PolarHBondContact O-NZ 3.22Å
152	T	94.2	Very high	94.8	Very high	71 Å²	71	28.3 Å²	28.3	44%	0.436	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	132.4	174.4	-58.8	0	0	0	0	110	G145 C148 R149 K154	G145-T152 PolarHBondContact O-OG1 3.24Å; C148-T152 PolarHBondContact O-N 2.94Å; R149-T152 WeakPolarHBondContact O-CB 3.41Å; R149-T152 PolarHBondContact O-N 3.42Å; R149-T152 VanDerWaalsContact O-N 3.09Å; R149-T152 PolarHBondContact O-OG1 2.81Å; T152-K154 PolarHBondContact O-N 3.32Å
153	G	93.7	Very high	94.4	Very high	44 Å²	44	28.3 Å²	28.3	45%	0.454	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	4.2	-177.1	0	0	0	0	0	114.9	Y37 L151 D192	Y37-G153 WeakPolarHBondContact CE1-O 3.15Å; L151-G153 PolarHBondContact O-N 3.32Å; G153-D192 WeakPolarHBondContact CA-OD2 3.43Å; G153-D192 PolarHBondContact N-OD2 2.63Å
154	K	98.3	Very high	93.7	Very high	16 Å²	16	29.2 Å²	29.2	7%	0.07	16%	0.161	C	C	.	.	S	Bend	trans	-112.7	146.3	179.7	-66	179.1	-178.5	173.8	0	110.7	H108 S109 R111 S112 S150 L151 T152 K156 D192	H108-K154 PolarHBondContact O-NZ 2.87Å; S109-K154 PolarHBondContact O-NZ 3Å; S109-K154 VanDerWaalsContact O-NZ 3.1Å; R111-K154 VanDerWaalsContact O-CD 3.24Å; R111-K154 WeakPolarHBondContact O-CD 3.4Å; R111-K154 WeakPolarHBondContact O-CE 3.36Å; R111-K154 PolarHBondContact O-NZ 3.24Å; S112-K154 WeakPolarHBondContact O-CB 3.44Å; S150-K154 PolarHBondContact O-NZ 2.98Å; S150-K154 VanDerWaalsContact O-NZ 3.15Å; L151-K154 HydrophobicContact CD2-CB 4.46Å; L151-K154 HydrophobicContact CD2-CD 4.29Å; L151-K154 PolarHBondContact O-N 2.96Å; T152-K154 PolarHBondContact O-N 3.32Å; K154-K156 PolarHBondContact O-NZ 3.11Å; K154-D192 WeakPolarHBondContact O-CB 3.29Å
155	P	98.5	Very high	92.9	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	16%	0.159	C	C	.	.			trans	-69.9	134.6	-177	26.8	-31.8	0	0	0	112.2	Y37 M39 S113 F114 L157 D192 L269 L273	Y37-P155 HydrophobicContact CD1-CG 4.39Å; Y37-P155 HydrophobicContact CD2-CB 4.23Å; Y37-P155 HydrophobicContact CD2-CG 4.16Å; Y37-P155 HydrophobicContact CE2-CB 4.17Å; Y37-P155 HydrophobicContact CG-CG 4.05Å; M39-P155 HydrophobicContact SD-CG 4.02Å; S113-P155 WeakPolarHBondContact CA-O 3.35Å; S113-P155 WeakPolarHBondContact CB-O 3.44Å; F114-P155 PolarHBondContact N-O 2.95Å; P155-L157 HydrophobicContact CB-CD2 4.22Å; P155-D192 CarbonylContact C-O 3.6Å; P155-D192 WeakPolarHBondContact CA-O 3.37Å; P155-L269 HydrophobicContact CB-CD2 4.03Å; P155-L273 HydrophobicContact CB-CD1 3.38Å; P155-L273 HydrophobicContact CG-CD1 3.56Å; P155-L273 HydrophobicContact CG-CG 4.4Å
156	K	98.6	Very high	92.5	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	102	179.9	-67.7	163.5	-72.3	-70.2	0	108.8	F143 L151 K154 F158 D192 F193 L194	F143-K156 HydrophobicContact CB-CD 4.07Å; F143-K156 WeakPolarHBondContact O-CD 3.34Å; L151-K156 HydrophobicContact CB-CD 4.41Å; L151-K156 PolarHBondContact O-NZ 3.22Å; K154-K156 PolarHBondContact O-NZ 3.11Å; K156-F158 HydrophobicContact CB-CE2 4.41Å; K156-D192 PolarHBondContact N-O 2.87Å; K156-F193 HydrophobicContact CB-CD1 3.95Å; K156-F193 HydrophobicContact CB-CD2 4.49Å; K156-F193 HydrophobicContact CB-CE1 4.1Å; K156-F193 HydrophobicContact CB-CG 4.18Å; K156-F193 HydrophobicContact CB-CZ 4.44Å; K156-F193 HydrophobicContact CD-CD2 4.19Å; K156-F193 HydrophobicContact CD-CE1 4.19Å; K156-F193 HydrophobicContact CD-CE2 3.69Å; K156-F193 HydrophobicContact CD-CZ 3.7Å; K156-F193 VanDerWaalsContact CE-CD2 3.4Å; K156-F193 WeakPolarHBondContact O-CA 3.42Å; K156-L194 PolarHBondContact O-N 2.92Å
157	L	98.8	Very high	91.5	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.8	-170.7	-46.4	-178.5	0	0	0	110.1	F114 V115 C116 P155 L194 F232 L273 F275	F114-L157 PolarHBondContact O-N 3.22Å; V115-L157 CarbonylContact C-O 3.45Å; V115-L157 WeakPolarHBondContact CA-O 3.37Å; V115-L157 HydrophobicContact CG2-CB 4.18Å; V115-L157 HydrophobicContact CG2-CD1 4.06Å; V115-L157 HydrophobicContact CG2-CG 4.39Å; C116-L157 PolarHBondContact N-O 2.87Å; P155-L157 HydrophobicContact CB-CD2 4.22Å; L157-L194 HydrophobicContact CD2-CB 3.75Å; L157-F232 HydrophobicContact CD1-CD1 4.2Å; L157-F232 HydrophobicContact CD1-CE1 3.75Å; L157-F232 HydrophobicContact CD1-CZ 4.41Å; L157-F232 HydrophobicContact CD2-CD1 4.4Å; L157-F232 HydrophobicContact CD2-CE1 4.11Å; L157-F232 HydrophobicContact CG-CE1 4.43Å; L157-L273 HydrophobicContact CD1-CD1 4.14Å; L157-L273 HydrophobicContact CD2-CD1 3.92Å; L157-F275 HydrophobicContact CD1-CE1 4.32Å; L157-F275 HydrophobicContact CD1-CZ 4.25Å
158	F	98.6	Very high	90.4	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	112.1	174.1	-74.7	-96.6	0	0	0	109.4	F114 C116 I139 T140 F143 K156 I160 F193 L194 Y195 A196	F114-F158 HydrophobicContact CE1-CE1 4.45Å; F114-F158 HydrophobicContact CE1-CE2 4.32Å; F114-F158 AromaticContact CE1-CZ 3.89Å; F114-F158 HydrophobicContact CE1-CZ 3.89Å; C116-F158 HydrophobicContact CB-CD1 3.73Å; C116-F158 HydrophobicContact CB-CE1 3.64Å; C116-F158 HydrophobicContact CB-CG 4.45Å; C116-F158 HydrophobicContact CB-CZ 4.3Å; C116-F158 CarbonylContact O-C 3.57Å; C116-F158 WeakPolarHBondContact O-CA 3.37Å; I139-F158 HydrophobicContact CG2-CE1 3.94Å; T140-F158 HydrophobicContact CG2-CD1 3.71Å; T140-F158 HydrophobicContact CG2-CD2 4.1Å; T140-F158 HydrophobicContact CG2-CE1 3.58Å; T140-F158 HydrophobicContact CG2-CE2 3.99Å; T140-F158 HydrophobicContact CG2-CG 3.97Å; T140-F158 HydrophobicContact CG2-CZ 3.72Å; F143-F158 AromaticContact CD2-CZ 3.84Å; F143-F158 HydrophobicContact CD2-CZ 3.84Å; F143-F158 HydrophobicContact CE2-CZ 4.33Å; F143-F158 HydrophobicContact CG-CZ 4.36Å; K156-F158 HydrophobicContact CB-CE2 4.41Å; F158-I160 HydrophobicContact CB-CD1 4.36Å; F158-F193 AromaticContact CD2-CD1 3.84Å; F158-F193 HydrophobicContact CD2-CD1 3.84Å; F158-F193 HydrophobicContact CD2-CE1 4.11Å; F158-F193 AromaticContact CE2-CD1 3.65Å; F158-F193 HydrophobicContact CE2-CD1 3.65Å; F158-F193 AromaticContact CE2-CE1 3.45Å; F158-F193 HydrophobicContact CE2-CE1 3.45Å; F158-F193 VanDerWaalsContact CE2-CE1 3.45Å; F158-F193 HydrophobicContact CZ-CE1 4.24Å; F158-L194 PolarHBondContact N-O 3.02Å; F158-Y195 HydrophobicContact CB-CD1 3.83Å; F158-Y195 HydrophobicContact CB-CE1 4.28Å; F158-Y195 HydrophobicContact CD2-CE1 4.42Å; F158-Y195 HydrophobicContact CG-CD1 4.41Å; F158-Y195 HydrophobicContact CG-CE1 4.37Å; F158-Y195 CarbonylContact O-C 3.56Å; F158-Y195 WeakPolarHBondContact O-CA 3.35Å; F158-A196 PolarHBondContact O-N 2.87Å
159	I	98.8	Very high	88.9	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.9	179.6	-62.2	160.8	0	0	0	107.7	F78 V115 C116 V117 L118 A196 F215 I216 L219	F78-I159 HydrophobicContact CE2-CD1 4.06Å; F78-I159 HydrophobicContact CZ-CD1 3.61Å; V115-I159 HydrophobicContact CG1-CD1 4.03Å; C116-I159 PolarHBondContact O-N 3.38Å; V117-I159 CarbonylContact C-O 3.45Å; V117-I159 VanDerWaalsContact CA-O 3.31Å; V117-I159 WeakPolarHBondContact CA-O 3.3Å; V117-I159 HydrophobicContact CB-CB 4.48Å; V117-I159 HydrophobicContact CG1-CB 4.12Å; V117-I159 HydrophobicContact CG1-CG2 4.05Å; V117-I159 HydrophobicContact CG2-CB 4.19Å; V117-I159 HydrophobicContact CG2-CD1 4.15Å; L118-I159 PolarHBondContact N-O 2.85Å; I159-A196 HydrophobicContact CG1-CB 4.27Å; I159-F215 HydrophobicContact CG2-CE1 3.74Å; I159-F215 HydrophobicContact CG2-CZ 4.22Å; I159-I216 HydrophobicContact CG2-CD1 4.15Å; I159-L219 HydrophobicContact CD1-CD2 4.09Å; I159-L219 HydrophobicContact CG1-CD2 4.44Å; I159-L219 HydrophobicContact CG2-CD2 3.61Å
160	I	98.4	Very high	87.3	Confident	5 Å²	5	30.1 Å²	30.1	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	105.4	-164.9	-57.7	167.3	0	0	0	109.3	L118 L136 F158 A162 Y195 A196 Y197 S198	L118-I160 HydrophobicContact CD1-CG1 4.4Å; L136-I160 HydrophobicContact CD1-CD1 4.09Å; L136-I160 HydrophobicContact CD2-CD1 4.16Å; F158-I160 HydrophobicContact CB-CD1 4.36Å; I160-A162 HydrophobicContact CG2-CB 4.19Å; I160-Y195 HydrophobicContact CD1-CD1 4.31Å; I160-A196 PolarHBondContact N-O 2.75Å; I160-Y197 HydrophobicContact CB-CD1 3.83Å; I160-Y197 HydrophobicContact CB-CE1 4.15Å; I160-Y197 HydrophobicContact CD1-CD1 3.85Å; I160-Y197 HydrophobicContact CD1-CE1 3.3Å; I160-Y197 HydrophobicContact CG1-CD1 4.42Å; I160-Y197 HydrophobicContact CG1-CE1 4.3Å; I160-Y197 HydrophobicContact CG2-CD1 3.97Å; I160-Y197 HydrophobicContact CG2-CE1 4.17Å; I160-S198 PolarHBondContact O-N 2.81Å; I160-S198 PolarHBondContact O-OG 3.45Å
161	Q	97.9	Very high	85.1	Confident	5 Å²	5	30.7 Å²	30.7	2%	0.023	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	90.4	169.6	173.5	54.1	54.8	0	0	109	L118 L119 S120 S198 S205 S213 I216	L118-Q161 PolarHBondContact O-N 3.17Å; L119-Q161 HydrophobicContact CD2-CB 3.68Å; L119-Q161 HydrophobicContact CD2-CG 4.28Å; S120-Q161 PolarHBondContact N-O 2.64Å; Q161-S198 PolarHBondContact OE1-OG 3.27Å; Q161-S205 PolarHBondContact NE2-OG 3.47Å; Q161-S213 VanDerWaalsContact CD-CB 3.45Å; Q161-S213 WeakPolarHBondContact CG-OG 3.34Å; Q161-S213 PolarHBondContact OE1-OG 2.97Å; Q161-I216 HydrophobicContact CB-CD1 4.17Å; Q161-I216 HydrophobicContact CB-CG1 3.99Å; Q161-I216 HydrophobicContact CG-CG1 4.16Å
162	A	92	Very high	83.2	Confident	3 Å²	3	38.1 Å²	38.1	3%	0.025	23%	0.234	C	C	.	.	S	Bend	trans	-154.6	158.8	176.1	0	0	0	0	0	109.9	I127 I160 S198 S205	I127-A162 HydrophobicContact CD1-CB 3.53Å; I160-A162 HydrophobicContact CG2-CB 4.19Å; A162-S198 PolarHBondContact O-OG 2.76Å; A162-S205 WeakPolarHBondContact O-CB 3.39Å
163	C	87.4	Confident	81	Confident	24 Å²	24	43.8 Å²	43.8	16%	0.162	26%	0.256	C	S	.	.			trans	-66.2	155.4	168	-58	0	0	0	0	109.9	G122 E123 Y204	G122-C163 CarbonylContact C-O 3.57Å; G122-C163 WeakPolarHBondContact CA-O 3.48Å; G122-C163 WeakPolarHBondContact O-CB 3.2Å; E123-C163 PolarHBondContact N-O 2.91Å; C163-Y204 HydrophobicContact CB-CD1 4.41Å
164	R	81.8	Confident	78.2	Confident	19 Å²	19	47.9 Å²	47.9	7%	0.072	27%	0.272	C	S	.	.			trans	-122.3	15	177.3	-70.9	-173.2	70.3	173.4	6.4	112.5	E124 T199 G202 Y203	E124-R164 WeakPolarHBondContact CB-O 3.32Å; E124-R164 PolarHBondContact N-O 3.41Å; E124-R164 IonicContact OE1-CZ 2.67Å; E124-R164 IonicContact OE1-NE 2.71Å; E124-R164 IonicContact OE1-NH2 2.67Å; E124-R164 PolarHBondContact OE1-NH2 3.2Å; E124-R164 WeakPolarHBondContact OE2-CB 3.42Å; E124-R164 IonicContact OE2-CZ 2.7Å; E124-R164 IonicContact OE2-NE 3.41Å; E124-R164 PolarHBondContact OE2-NE 3.36Å; E124-R164 IonicContact OE2-NH2 2.77Å; E124-R164 PolarHBondContact OE2-NH2 2.9Å; R164-T199 HydrophobicContact CB-CG2 4.09Å; R164-T199 WeakPolarHBondContact CD-O 3.43Å; R164-T199 HydrophobicContact CG-CG2 4.01Å; R164-G202 VanDerWaalsContact O-CA 3.23Å; R164-G202 WeakPolarHBondContact O-CA 3.38Å; R164-G202 PolarHBondContact O-N 2.82Å; R164-G202 VanDerWaalsContact O-N 3.11Å; R164-Y203 PolarHBondContact N-O 2.91Å
165	G	73.9	Confident	75.2	Confident	19 Å²	19	54.8 Å²	54.8	20%	0.196	31%	0.31	C	S	.	.	S	Bend	trans	150.7	-161.4	-175.1	0	0	0	0	0	109.6	G202	G165-G202 CarbonylContact C-O 3.6Å; G165-G202 VanDerWaalsContact C-O 3.25Å; G165-G202 WeakPolarHBondContact CA-O 3.32Å
166	T	73.6	Confident	72.5	Confident	105 Å²	105	60.7 Å²	60.7	64%	0.644	35%	0.351	S	S	*	.	S	Bend	trans	-122.7	11.4	-172.8	59.4	0	0	0	0	113.4	G202 Y204	T166-G202 PolarHBondContact N-O 3.35Å; T166-G202 VanDerWaalsContact N-O 3.09Å; T166-Y204 VanDerWaalsContact C-CD2 3.49Å; T166-Y204 VanDerWaalsContact C-CE2 3.4Å; T166-Y204 HydrophobicContact CG2-CE1 4.41Å; T166-Y204 HydrophobicContact CG2-CE2 4.36Å; T166-Y204 WeakPolarHBondContact CG2-OH 3.23Å; T166-Y204 WeakPolarHBondContact O-CD2 3.22Å; T166-Y204 WeakPolarHBondContact O-CE2 3.48Å
167	E	64.3	Low	69.7	Low	109 Å²	109	64 Å²	64	51%	0.509	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-75.6	150	176.6	-62.4	-178.5	-160.7	0	0	111.4	G202 Y203 Y204	E167-G202 WeakPolarHBondContact CB-O 3.46Å; E167-G202 WeakPolarHBondContact CG-O 3.45Å; E167-G202 PolarHBondContact N-O 3.34Å; E167-Y203 HydrophobicContact CB-CD1 3.72Å; E167-Y203 HydrophobicContact CB-CD2 4.47Å; E167-Y203 HydrophobicContact CB-CE1 3.84Å; E167-Y203 HydrophobicContact CB-CG 4.06Å; E167-Y203 WeakPolarHBondContact O-CA 3.2Å; E167-Y204 WeakPolarHBondContact O-CD2 3.4Å; E167-Y204 PolarHBondContact O-N 2.89Å
168	L	67.9	Low	66.8	Low	45 Å²	45	71.4 Å²	71.4	24%	0.236	43%	0.43	C	S	.	.			trans	-121.5	125.7	-178.3	-67.7	168.5	0	0	0	109.4	Y204 W206 T255 F256 K259	L168-Y204 HydrophobicContact CD2-CD2 3.46Å; L168-Y204 VanDerWaalsContact CD2-CD2 3.46Å; L168-Y204 HydrophobicContact CD2-CE2 4.19Å; L168-Y204 HydrophobicContact CD2-CG 4.2Å; L168-Y204 HydrophobicContact CG-CD2 3.89Å; L168-Y204 HydrophobicContact CG-CE2 4.35Å; L168-W206 HydrophobicContact CD2-CZ2 3.88Å; L168-T255 HydrophobicContact CD1-CG2 4.17Å; L168-T255 WeakPolarHBondContact CD1-O 3.19Å; L168-F256 HydrophobicContact CD1-CD1 4.25Å; L168-F256 HydrophobicContact CD1-CE1 4.27Å; L168-F256 HydrophobicContact CD2-CD1 4.18Å; L168-F256 HydrophobicContact CD2-CE1 4.39Å; L168-K259 HydrophobicContact CB-CD 4.29Å; L168-K259 HydrophobicContact CD2-CG 4.35Å
169	D	61.1	Low	64.5	Low	50 Å²	50	80.6 Å²	80.6	27%	0.267	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-82.5	116.5	175.1	-172.9	-17.3	0	0	0	109.4	G171 Y203 K259 K260	D169-G171 VanDerWaalsContact C-N 3.32Å; D169-G171 PolarHBondContact OD1-N 3.24Å; D169-Y203 HydrophobicContact CB-CD1 4.15Å; D169-Y203 HydrophobicContact CB-CE1 4.03Å; D169-K259 CarbonylContact O-C 3.56Å; D169-K259 VanDerWaalsContact O-CA 3.31Å; D169-K259 WeakPolarHBondContact O-CA 3.2Å; D169-K260 HydrophobicContact CB-CB 4.38Å; D169-K260 PolarHBondContact O-N 3.38Å
170	C	59.3	Low	61.6	Low	85 Å²	85	88.5 Å²	88.5	57%	0.574	52%	0.515	S	S	*	.			trans	-83.3	-7.1	-179.7	-64.4	0	0	0	0	113.3	K259	C170-K259 PolarHBondContact SG-NZ 3.12Å; C170-K259 VanDerWaalsContact SG-NZ 3.38Å
171	G	52.9	Low	58.7	Low	38 Å²	38	94.9 Å²	94.9	39%	0.392	55%	0.549	S	S	.	.			trans	65	168.9	-169.6	0	0	0	0	0	112.9	D169	D169-G171 VanDerWaalsContact C-N 3.32Å; D169-G171 PolarHBondContact OD1-N 3.24Å
172	I	56.8	Low	55.8	Low	157 Å²	157	103.8 Å²	103.8	81%	0.805	59%	0.593	S	S	*	*			trans	-136.4	140.7	169.1	-165.6	155.4	0	0	0	108.9
173	E	47.7	Very low	53.3	Low	190 Å²	190	107.4 Å²	107.4	89%	0.888	62%	0.624	S	S	*	*			trans	-68.9	130.6	170.2	-67.5	-169.8	166.4	0	0	108.8	D175	E173-D175 PolarHBondContact O-N 3.04Å
174	T	35.9	Very low	50.8	Low	129 Å²	129	110.7 Å²	110.7	79%	0.791	65%	0.646	S	S	*	*			trans	-81.5	112.7	-166.1	52.1	0	0	0	0	112.5
175	D	35.1	Very low	48.3	Very low	162 Å²	162	117.6 Å²	117.6	87%	0.866	68%	0.678	S	S	*	*			trans	-138.6	132.1	137.6	-83.4	-29.2	0	0	0	108.2	E173	E173-D175 PolarHBondContact O-N 3.04Å
176	S	42.5	Very low	45.9	Very low	124 Å²	124	125.6 Å²	125.6	87%	0.867	71%	0.708	S	S	*	*			trans	-25.9	128.8	-166	44.2	0	0	0	0	122.1
177	G	38.8	Very low	44.6	Very low	70 Å²	70	128.1 Å²	128.1	72%	0.722	72%	0.716	S	S	*	*				90.2	123.1	124.7	0	0	0	0	0	119.9
178	V	38.1	Very low	43.6	Very low	157 Å²	157	126.7 Å²	126.7	95%	0.952	72%	0.716	S	S	*	*				-176.4	154	106.9	-91.8	0	0	0	0	111.7
179	E	49.5	Very low	42.8	Very low	196 Å²	196	128 Å²	128	92%	0.916	73%	0.725	S	S	*	*			trans	-72.5	156.5	-176.5	-58.2	170.2	158.8	0	0	113.6
180	D	37.8	Very low	43.2	Very low	166 Å²	166	127.2 Å²	127.2	89%	0.888	72%	0.72	S	S	*	*			trans	-154.2	155.5	133.9	-149	4.7	0	0	0	113.2
181	D	38.7	Very low	44.5	Very low	139 Å²	139	124.6 Å²	124.6	74%	0.743	71%	0.705	S	S	*	*			trans	-78.1	144.2	-156.7	-134.2	-15.3	0	0	0	114.8
182	M	37.4	Very low	46.5	Very low	192 Å²	192	123.5 Å²	123.5	95%	0.946	69%	0.69	S	S	*	*			trans	-149.3	82.3	155.7	-154.6	-174.9	157.6	0	0	112.1
183	A	37.9	Very low	48.4	Very low	80 Å²	80	116 Å²	116	66%	0.661	65%	0.652	S	S	*	*			trans	-72.4	163	158	0	0	0	0	0	110.6
184	C	35.1	Very low	50.8	Low	92 Å²	92	107 Å²	107	62%	0.622	61%	0.609	S	S	*	*			cis	-176.2	154.9	-15.5	173	0	0	0	0	105.4
185	H	29.2	Very low	53.8	Low	164 Å²	164	101.8 Å²	101.8	76%	0.759	58%	0.575	S	S	*	*				152.2	132.1	125.2	-79.2	-55.7	0	0	0	118.8
186	K	25.2	Very low	56.8	Low	188 Å²	188	94.1 Å²	94.1	82%	0.817	54%	0.535	S	S	*	.			trans	90.4	125.6	152	-69.4	168.1	-170.6	-180	0	118.5	P188	K186-P188 VanDerWaalsContact O-CD 3.31Å; K186-P188 WeakPolarHBondContact O-CD 3.41Å
187	I	44.6	Very low	59.4	Low	158 Å²	158	89.6 Å²	89.6	81%	0.81	50%	0.499	S	S	*	.			trans	-91.1	117.9	173.2	-44.9	171.7	0	0	0	109
188	P	44.1	Very low	62	Low	79 Å²	79	86.3 Å²	86.3	51%	0.513	47%	0.465	S	S	.	.			trans	-116.7	-167.8	167	14.6	11.2	0	0	0	109.2	K186 E190 A191	K186-P188 VanDerWaalsContact O-CD 3.31Å; K186-P188 WeakPolarHBondContact O-CD 3.41Å; P188-E190 PolarHBondContact O-N 3.41Å; P188-A191 PolarHBondContact O-N 2.94Å
189	V	52.1	Low	64.3	Low	71 Å²	71	79 Å²	79	43%	0.43	42%	0.42	S	S	.	.	S	Bend	trans	-35.3	-0.1	167.3	-93.1	0	0	0	0	119.1	D146	D146-V189 HydrophobicContact CB-CG1 4.49Å
190	E	69.4	Low	66	Low	34 Å²	34	70.5 Å²	70.5	16%	0.159	38%	0.384	C	S	.	.			trans	-97.4	19.7	-179.5	-54	-67.7	170.3	0	0	113.1	R144 P188 F193	R144-E190 WeakPolarHBondContact CD-OE1 2.86Å; P188-E190 PolarHBondContact O-N 3.41Å; E190-F193 WeakPolarHBondContact O-CD2 3.25Å
191	A	86.3	Confident	68	Low	31 Å²	31	65.8 Å²	65.8	26%	0.256	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	154	176.4	0	0	0	0	0	112.6	P188 F193 T270	P188-A191 PolarHBondContact O-N 2.94Å; A191-F193 WeakPolarHBondContact O-CD2 3.44Å; A191-F193 PolarHBondContact O-N 3.43Å; A191-T270 HydrophobicContact CB-CG2 4.49Å
192	D	94.8	Very high	69.8	Low	14 Å²	14	60 Å²	60	8%	0.075	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	26.2	-179.2	-40.3	-59.2	0	0	0	113.9	Y37 G153 K154 P155 K156 M268 T270	Y37-D192 HydrophobicContact CE1-CB 4.34Å; Y37-D192 WeakPolarHBondContact OH-CB 3.39Å; Y37-D192 PolarHBondContact OH-OD1 3.32Å; G153-D192 WeakPolarHBondContact CA-OD2 3.43Å; G153-D192 PolarHBondContact N-OD2 2.63Å; K154-D192 WeakPolarHBondContact O-CB 3.29Å; P155-D192 CarbonylContact C-O 3.6Å; P155-D192 WeakPolarHBondContact CA-O 3.37Å; K156-D192 PolarHBondContact N-O 2.87Å; D192-M268 PolarHBondContact N-O 2.78Å; D192-T270 PolarHBondContact OD1-OG1 2.92Å
193	F	97.1	Very high	71.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	146.2	166.7	-78.3	-103.9	0	0	0	111	F143 K156 F158 E190 A191 Y195 M268 L269	F143-F193 HydrophobicContact CB-CE1 4.1Å; F143-F193 HydrophobicContact CB-CZ 3.81Å; F143-F193 WeakPolarHBondContact O-CZ 3.46Å; K156-F193 HydrophobicContact CB-CD1 3.95Å; K156-F193 HydrophobicContact CB-CD2 4.49Å; K156-F193 HydrophobicContact CB-CE1 4.1Å; K156-F193 HydrophobicContact CB-CG 4.18Å; K156-F193 HydrophobicContact CB-CZ 4.44Å; K156-F193 HydrophobicContact CD-CD2 4.19Å; K156-F193 HydrophobicContact CD-CE1 4.19Å; K156-F193 HydrophobicContact CD-CE2 3.69Å; K156-F193 HydrophobicContact CD-CZ 3.7Å; K156-F193 VanDerWaalsContact CE-CD2 3.4Å; K156-F193 WeakPolarHBondContact O-CA 3.42Å; F158-F193 AromaticContact CD2-CD1 3.84Å; F158-F193 HydrophobicContact CD2-CD1 3.84Å; F158-F193 HydrophobicContact CD2-CE1 4.11Å; F158-F193 AromaticContact CE2-CD1 3.65Å; F158-F193 HydrophobicContact CE2-CD1 3.65Å; F158-F193 AromaticContact CE2-CE1 3.45Å; F158-F193 HydrophobicContact CE2-CE1 3.45Å; F158-F193 VanDerWaalsContact CE2-CE1 3.45Å; F158-F193 HydrophobicContact CZ-CE1 4.24Å; E190-F193 WeakPolarHBondContact O-CD2 3.25Å; A191-F193 WeakPolarHBondContact O-CD2 3.44Å; A191-F193 PolarHBondContact O-N 3.43Å; F193-Y195 HydrophobicContact CB-CD2 4.5Å; F193-Y195 HydrophobicContact CB-CE2 3.72Å; F193-Y195 HydrophobicContact CD1-CE2 4.42Å; F193-Y195 AromaticContact CD1-CZ 3.93Å; F193-Y195 HydrophobicContact CG-CE2 4.42Å; F193-M268 CarbonylContact O-C 3.58Å; F193-M268 WeakPolarHBondContact O-CA 3.2Å; F193-M268 WeakPolarHBondContact O-CB 3.44Å; F193-M268 PolarHBondContact O-N 2.71Å; F193-L269 PolarHBondContact O-N 3.03Å
194	L	98.2	Very high	74	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	130	165.2	-175	152.4	0	0	0	108.7	K156 L157 F158 A196 F232 M233 L236 L269	K156-L194 PolarHBondContact O-N 2.92Å; L157-L194 HydrophobicContact CD2-CB 3.75Å; F158-L194 PolarHBondContact N-O 3.02Å; L194-A196 HydrophobicContact CD2-CB 3.96Å; L194-F232 HydrophobicContact CD1-CD1 4.05Å; L194-F232 HydrophobicContact CD1-CE1 4.15Å; L194-F232 HydrophobicContact CD2-CE1 3.95Å; L194-M233 HydrophobicContact CD1-SD 3.72Å; L194-L236 HydrophobicContact CD1-CD1 4.15Å; L194-L236 HydrophobicContact CD2-CD1 3.8Å; L194-L269 HydrophobicContact CB-CD1 4.15Å; L194-L269 HydrophobicContact CB-CD2 4.11Å; L194-L269 HydrophobicContact CB-CG 3.98Å; L194-L269 HydrophobicContact CD1-CD1 3.61Å; L194-L269 HydrophobicContact CD1-CG 4.14Å
195	Y	97.8	Very high	76.5	Confident	20 Å²	20	50.6 Å²	50.6	8%	0.078	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	114.3	174.1	-52.4	-97.3	0	0	0	109.2	T140 F158 I160 F193 Y197 V266 M268	T140-Y195 HydrophobicContact CG2-CE1 3.59Å; F158-Y195 HydrophobicContact CB-CD1 3.83Å; F158-Y195 HydrophobicContact CB-CE1 4.28Å; F158-Y195 HydrophobicContact CD2-CE1 4.42Å; F158-Y195 HydrophobicContact CG-CD1 4.41Å; F158-Y195 HydrophobicContact CG-CE1 4.37Å; F158-Y195 CarbonylContact O-C 3.56Å; F158-Y195 WeakPolarHBondContact O-CA 3.35Å; I160-Y195 HydrophobicContact CD1-CD1 4.31Å; F193-Y195 HydrophobicContact CB-CD2 4.5Å; F193-Y195 HydrophobicContact CB-CE2 3.72Å; F193-Y195 HydrophobicContact CD1-CE2 4.42Å; F193-Y195 AromaticContact CD1-CZ 3.93Å; F193-Y195 HydrophobicContact CG-CE2 4.42Å; Y195-Y197 HydrophobicContact CG-CE2 4.16Å; Y195-V266 PolarHBondContact N-O 3.32Å; Y195-V266 PolarHBondContact O-N 3.09Å; Y195-M268 HydrophobicContact CD2-CE 3.89Å; Y195-M268 HydrophobicContact CD2-SD 3.97Å; Y195-M268 HydrophobicContact CE2-CE 3.5Å; Y195-M268 VanDerWaalsContact CE2-CE 3.5Å; Y195-M268 HydrophobicContact CE2-SD 3.9Å
196	A	98.1	Very high	79.5	Confident	2 Å²	2	44.9 Å²	44.9	2%	0.017	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	92.7	175.1	0	0	0	0	0	108.5	F158 I159 I160 L194 F215 L236	F158-A196 PolarHBondContact O-N 2.87Å; I159-A196 HydrophobicContact CG1-CB 4.27Å; I160-A196 PolarHBondContact N-O 2.75Å; L194-A196 HydrophobicContact CD2-CB 3.96Å; A196-F215 HydrophobicContact CB-CZ 4.18Å; A196-L236 HydrophobicContact CB-CD1 4.26Å; A196-L236 HydrophobicContact CB-CD2 4.2Å
197	Y	97.9	Very high	82.9	Confident	28 Å²	28	39.5 Å²	39.5	11%	0.11	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	140.8	178.3	-66.5	-84.9	0	0	0	110.6	L136 I160 Y195 T199 P263 C264 V266	L136-Y197 HydrophobicContact CD1-CE1 3.98Å; I160-Y197 HydrophobicContact CB-CD1 3.83Å; I160-Y197 HydrophobicContact CB-CE1 4.15Å; I160-Y197 HydrophobicContact CD1-CD1 3.85Å; I160-Y197 HydrophobicContact CD1-CE1 3.3Å; I160-Y197 HydrophobicContact CG1-CD1 4.42Å; I160-Y197 HydrophobicContact CG1-CE1 4.3Å; I160-Y197 HydrophobicContact CG2-CD1 3.97Å; I160-Y197 HydrophobicContact CG2-CE1 4.17Å; Y195-Y197 HydrophobicContact CG-CE2 4.16Å; Y197-T199 PolarHBondContact O-N 3.19Å; Y197-P263 WeakPolarHBondContact O-CB 3.5Å; Y197-C264 PolarHBondContact N-O 2.89Å; Y197-C264 PolarHBondContact O-N 2.67Å; Y197-V266 HydrophobicContact CD2-CG2 4.24Å; Y197-V266 HydrophobicContact CE2-CG2 4.15Å
198	S	93.5	Very high	85.3	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.007	19%	0.185	C	C	.	.	S	Bend	trans	-66.9	-21.9	178.3	60.5	0	0	0	0	114.5	I160 Q161 A162 S205 F215 Q261 P263	I160-S198 PolarHBondContact O-N 2.81Å; I160-S198 PolarHBondContact O-OG 3.45Å; Q161-S198 PolarHBondContact OE1-OG 3.27Å; A162-S198 PolarHBondContact O-OG 2.76Å; S198-S205 WeakPolarHBondContact CB-OG 3.44Å; S198-S205 WeakPolarHBondContact OG-CB 3.25Å; S198-S205 PolarHBondContact OG-OG 2.89Å; S198-F215 VanDerWaalsContact CB-CD1 3.41Å; S198-Q261 PolarHBondContact O-NE2 3.29Å; S198-P263 WeakPolarHBondContact O-CA 3.49Å
199	T	86.1	Confident	87.5	Confident	3 Å²	3	35 Å²	35	2%	0.018	19%	0.188	C	C	.	.	S	Bend	trans	-145.2	161.8	-175.8	-161.9	0	0	0	0	111.9	R164 Y197 Y203 Y204 I262 C264	R164-T199 HydrophobicContact CB-CG2 4.09Å; R164-T199 WeakPolarHBondContact CD-O 3.43Å; R164-T199 HydrophobicContact CG-CG2 4.01Å; Y197-T199 PolarHBondContact O-N 3.19Å; T199-Y203 WeakPolarHBondContact CG2-O 3.38Å; T199-Y204 WeakPolarHBondContact CB-O 3.21Å; T199-Y204 PolarHBondContact OG1-O 3.36Å; T199-I262 CarbonylContact C-O 3.59Å; T199-I262 WeakPolarHBondContact CA-O 3.46Å; T199-C264 WeakPolarHBondContact O-CB 3.42Å
200	A	84.6	Confident	89.4	Confident	18 Å²	18	39.2 Å²	39.2	15%	0.149	20%	0.201	C	C	.	.			trans	-63.4	153.5	173.9	0	0	0	0	0	112	G202 Y203 I262	A200-G202 PolarHBondContact O-N 2.92Å; A200-Y203 HydrophobicContact CB-CD2 3.76Å; A200-Y203 HydrophobicContact CB-CE2 4.29Å; A200-Y203 HydrophobicContact CB-CG 4.5Å; A200-Y203 PolarHBondContact O-N 3.21Å; A200-I262 HydrophobicContact CB-CG2 4.2Å; A200-I262 PolarHBondContact N-O 2.81Å
201	P	80.9	Confident	90.6	Very high	68 Å²	68	41.2 Å²	41.2	44%	0.442	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	136.1	174.6	-19.3	29	0	0	0	111.6	E124 Y203	E124-P201 WeakPolarHBondContact OE2-CA 3.31Å; P201-Y203 VanDerWaalsContact C-N 3.33Å; P201-Y203 VanDerWaalsContact O-CD2 3.24Å; P201-Y203 WeakPolarHBondContact O-CD2 3.23Å; P201-Y203 PolarHBondContact O-N 3.14Å
202	G	76.4	Confident	91.2	Very high	17 Å²	17	39.8 Å²	39.8	18%	0.175	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-15.3	-179.6	0	0	0	0	0	116.2	E124 R164 G165 T166 E167 A200	E124-G202 PolarHBondContact OE2-N 2.97Å; R164-G202 VanDerWaalsContact O-CA 3.23Å; R164-G202 WeakPolarHBondContact O-CA 3.38Å; R164-G202 PolarHBondContact O-N 2.82Å; R164-G202 VanDerWaalsContact O-N 3.11Å; G165-G202 CarbonylContact C-O 3.6Å; G165-G202 VanDerWaalsContact C-O 3.25Å; G165-G202 WeakPolarHBondContact CA-O 3.32Å; T166-G202 PolarHBondContact N-O 3.35Å; T166-G202 VanDerWaalsContact N-O 3.09Å; E167-G202 WeakPolarHBondContact CB-O 3.46Å; E167-G202 WeakPolarHBondContact CG-O 3.45Å; E167-G202 PolarHBondContact N-O 3.34Å; A200-G202 PolarHBondContact O-N 2.92Å
203	Y	81.3	Confident	91.3	Very high	72 Å²	72	39.1 Å²	39.1	28%	0.282	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-97.6	157.9	-172.4	-70.9	-95.4	0	0	0	114.6	R164 E167 D169 T199 A200 P201	R164-Y203 PolarHBondContact N-O 2.91Å; E167-Y203 HydrophobicContact CB-CD1 3.72Å; E167-Y203 HydrophobicContact CB-CD2 4.47Å; E167-Y203 HydrophobicContact CB-CE1 3.84Å; E167-Y203 HydrophobicContact CB-CG 4.06Å; E167-Y203 WeakPolarHBondContact O-CA 3.2Å; D169-Y203 HydrophobicContact CB-CD1 4.15Å; D169-Y203 HydrophobicContact CB-CE1 4.03Å; T199-Y203 WeakPolarHBondContact CG2-O 3.38Å; A200-Y203 HydrophobicContact CB-CD2 3.76Å; A200-Y203 HydrophobicContact CB-CE2 4.29Å; A200-Y203 HydrophobicContact CB-CG 4.5Å; A200-Y203 PolarHBondContact O-N 3.21Å; P201-Y203 VanDerWaalsContact C-N 3.33Å; P201-Y203 VanDerWaalsContact O-CD2 3.24Å; P201-Y203 WeakPolarHBondContact O-CD2 3.23Å; P201-Y203 PolarHBondContact O-N 3.14Å
204	Y	82.2	Confident	91.4	Very high	79 Å²	79	40 Å²	40	31%	0.31	20%	0.201	S	C	.	.			trans	-63.6	156.6	164.3	-81.9	-69.1	0	0	0	112.1	C163 T166 E167 L168 T199 F256	C163-Y204 HydrophobicContact CB-CD1 4.41Å; T166-Y204 VanDerWaalsContact C-CD2 3.49Å; T166-Y204 VanDerWaalsContact C-CE2 3.4Å; T166-Y204 HydrophobicContact CG2-CE1 4.41Å; T166-Y204 HydrophobicContact CG2-CE2 4.36Å; T166-Y204 WeakPolarHBondContact CG2-OH 3.23Å; T166-Y204 WeakPolarHBondContact O-CD2 3.22Å; T166-Y204 WeakPolarHBondContact O-CE2 3.48Å; E167-Y204 WeakPolarHBondContact O-CD2 3.4Å; E167-Y204 PolarHBondContact O-N 2.89Å; L168-Y204 HydrophobicContact CD2-CD2 3.46Å; L168-Y204 VanDerWaalsContact CD2-CD2 3.46Å; L168-Y204 HydrophobicContact CD2-CE2 4.19Å; L168-Y204 HydrophobicContact CD2-CG 4.2Å; L168-Y204 HydrophobicContact CG-CD2 3.89Å; L168-Y204 HydrophobicContact CG-CE2 4.35Å; T199-Y204 WeakPolarHBondContact CB-O 3.21Å; T199-Y204 PolarHBondContact OG1-O 3.36Å; Y204-F256 HydrophobicContact CE2-CE1 4.38Å
205	S	88.1	Confident	91.4	Very high	15 Å²	15	40 Å²	40	11%	0.105	20%	0.201	C	C	.	.			trans	-123.9	127	169.7	-170.4	0	0	0	0	111	Q161 A162 S198	Q161-S205 PolarHBondContact NE2-OG 3.47Å; A162-S205 WeakPolarHBondContact O-CB 3.39Å; S198-S205 WeakPolarHBondContact CB-OG 3.44Å; S198-S205 WeakPolarHBondContact OG-CB 3.25Å; S198-S205 PolarHBondContact OG-OG 2.89Å
206	W	91.7	Very high	91.5	Very high	45 Å²	45	39.1 Å²	39.1	17%	0.17	20%	0.197	C	C	.	.			trans	-86.4	143.3	-170	-67.5	93.2	0	0	0	113.6	L168 W214 S249 F256 K259 Q261	L168-W206 HydrophobicContact CD2-CZ2 3.88Å; W206-W214 HydrophobicContact CB-CD2 3.58Å; W206-W214 HydrophobicContact CB-CE3 3.62Å; W206-W214 HydrophobicContact CB-CG 4.32Å; W206-W214 HydrophobicContact CB-CH2 3.74Å; W206-W214 HydrophobicContact CB-CZ2 3.73Å; W206-W214 HydrophobicContact CB-CZ3 3.7Å; W206-W214 AromaticContact CD1-CH2 3.78Å; W206-W214 AromaticContact CD1-CZ3 3.49Å; W206-W214 VanDerWaalsContact CD1-CZ3 3.49Å; W206-W214 AromaticContact CD2-CH2 3.95Å; W206-W214 HydrophobicContact CD2-CH2 3.95Å; W206-W214 HydrophobicContact CD2-CZ2 4.31Å; W206-W214 HydrophobicContact CD2-CZ3 4.42Å; W206-W214 HydrophobicContact CG-CD2 4.39Å; W206-W214 HydrophobicContact CG-CE3 4.03Å; W206-W214 AromaticContact CG-CH2 3.53Å; W206-W214 HydrophobicContact CG-CH2 3.53Å; W206-W214 AromaticContact CG-CZ2 3.94Å; W206-W214 HydrophobicContact CG-CZ2 3.94Å; W206-W214 AromaticContact CG-CZ3 3.59Å; W206-W214 HydrophobicContact CG-CZ3 3.59Å; W206-S249 VanDerWaalsContact CZ3-CB 3.46Å; W206-F256 HydrophobicContact CH2-CB 3.94Å; W206-F256 HydrophobicContact CH2-CD1 4.06Å; W206-F256 HydrophobicContact CH2-CG 4.49Å; W206-F256 WeakPolarHBondContact CH2-O 3.39Å; W206-K259 HydrophobicContact CH2-CB 4.31Å; W206-K259 HydrophobicContact CH2-CG 4.31Å; W206-K259 HydrophobicContact CZ2-CB 3.44Å; W206-K259 VanDerWaalsContact CZ2-CB 3.44Å; W206-K259 HydrophobicContact CZ2-CG 3.75Å; W206-Q261 VanDerWaalsContact CD1-OE1 3.32Å
207	R	96.2	Very high	91.5	Very high	75 Å²	75	41.2 Å²	41.2	28%	0.283	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	130.2	176.8	178.9	179.9	47.6	52.4	6.7	111.4	S65	S65-R207 VanDerWaalsContact O-CD 3.31Å; S65-R207 WeakPolarHBondContact O-CD 3.45Å; S65-R207 VanDerWaalsContact O-CZ 3.29Å; S65-R207 PolarHBondContact O-NH1 3.25Å
208	N	95.1	Very high	91.6	Very high	58 Å²	58	39.9 Å²	39.9	31%	0.31	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	135.7	169	-175	-66.5	0	0	0	109.6	K210 D211 G212	N208-K210 VanDerWaalsContact C-N 3.28Å; N208-K210 PolarHBondContact O-N 3.48Å; N208-K210 WeakPolarHBondContact OD1-CA 3.47Å; N208-K210 WeakPolarHBondContact OD1-CB 3.45Å; N208-K210 PolarHBondContact OD1-N 2.88Å; N208-D211 HydrophobicContact CB-CB 4.29Å; N208-D211 PolarHBondContact OD1-N 3.39Å; N208-D211 PolarHBondContact OD1-OD2 2.97Å; N208-G212 WeakPolarHBondContact CA-O 3.47Å; N208-G212 WeakPolarHBondContact CB-O 3.43Å; N208-G212 PolarHBondContact N-O 3.35Å; N208-G212 WeakPolarHBondContact O-CA 3.24Å; N208-G212 PolarHBondContact O-N 3.03Å; N208-G212 VanDerWaalsContact O-N 3.14Å
209	S	91	Very high	91.8	Very high	83 Å²	83	39.8 Å²	39.8	58%	0.58	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-23.1	-176.8	54.1	0	0	0	0	114.1	G66	G66-S209 VanDerWaalsContact CA-O 3.32Å; G66-S209 WeakPolarHBondContact CA-O 3.37Å; G66-S209 PolarHBondContact N-O 2.73Å
210	K	91.4	Very high	92.4	Very high	161 Å²	161	39.7 Å²	39.7	70%	0.7	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-43.9	-179.1	-174.1	-173.8	175.8	-171.2	0	112.2	N208	N208-K210 VanDerWaalsContact C-N 3.28Å; N208-K210 PolarHBondContact O-N 3.48Å; N208-K210 WeakPolarHBondContact OD1-CA 3.47Å; N208-K210 WeakPolarHBondContact OD1-CB 3.45Å; N208-K210 PolarHBondContact OD1-N 2.88Å
211	D	95.2	Very high	93.1	Very high	76 Å²	76	40.6 Å²	40.6	41%	0.406	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-9.6	-168.7	-51.6	-44.6	0	0	0	113.4	N208 Q217	N208-D211 HydrophobicContact CB-CB 4.29Å; N208-D211 PolarHBondContact OD1-N 3.39Å; N208-D211 PolarHBondContact OD1-OD2 2.97Å; D211-Q217 VanDerWaalsContact O-CG 3.25Å; D211-Q217 WeakPolarHBondContact O-CG 3.29Å; D211-Q217 PolarHBondContact O-NE2 3.28Å
212	G	97.4	Very high	93.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.9	-167.3	-175.3	0	0	0	0	0	113.2	D70 N208 Q217	D70-G212 VanDerWaalsContact OD1-CA 3.24Å; D70-G212 WeakPolarHBondContact OD1-CA 3.5Å; N208-G212 WeakPolarHBondContact CA-O 3.47Å; N208-G212 WeakPolarHBondContact CB-O 3.43Å; N208-G212 PolarHBondContact N-O 3.35Å; N208-G212 WeakPolarHBondContact O-CA 3.24Å; N208-G212 PolarHBondContact O-N 3.03Å; N208-G212 VanDerWaalsContact O-N 3.14Å; G212-Q217 PolarHBondContact O-NE2 2.98Å
213	S	98.3	Very high	95	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	143.3	179.9	59.5	0	0	0	0	112.9	D70 Q161 F215 I216 Q217	D70-S213 VanDerWaalsContact CG-N 3.31Å; D70-S213 VanDerWaalsContact CG-OG 3.28Å; D70-S213 PolarHBondContact OD1-N 3.02Å; D70-S213 PolarHBondContact OD1-OG 2.82Å; D70-S213 VanDerWaalsContact OD2-CB 3.25Å; D70-S213 WeakPolarHBondContact OD2-CB 3.34Å; D70-S213 PolarHBondContact OD2-N 3.21Å; D70-S213 PolarHBondContact OD2-OG 3.5Å; Q161-S213 VanDerWaalsContact CD-CB 3.45Å; Q161-S213 WeakPolarHBondContact CG-OG 3.34Å; Q161-S213 PolarHBondContact OE1-OG 2.97Å; S213-F215 PolarHBondContact O-N 3.42Å; S213-I216 PolarHBondContact O-N 2.97Å; S213-I216 WeakPolarHBondContact OG-CB 3.35Å; S213-I216 WeakPolarHBondContact OG-CG1 3.29Å; S213-Q217 WeakPolarHBondContact O-CB 3.39Å; S213-Q217 VanDerWaalsContact O-CG 3.23Å; S213-Q217 WeakPolarHBondContact O-CG 3.4Å; S213-Q217 PolarHBondContact O-N 3.47Å
214	W	98.4	Very high	95.8	Very high	18 Å²	18	38.6 Å²	38.6	7%	0.068	19%	0.19	C	C	.	.	H	α-helix	trans	-57.2	-40.2	-176.1	-58.3	-13.6	0	0	0	112	W206 S218 V243 F247 E248 Q261	W206-W214 HydrophobicContact CB-CD2 3.58Å; W206-W214 HydrophobicContact CB-CE3 3.62Å; W206-W214 HydrophobicContact CB-CG 4.32Å; W206-W214 HydrophobicContact CB-CH2 3.74Å; W206-W214 HydrophobicContact CB-CZ2 3.73Å; W206-W214 HydrophobicContact CB-CZ3 3.7Å; W206-W214 AromaticContact CD1-CH2 3.78Å; W206-W214 AromaticContact CD1-CZ3 3.49Å; W206-W214 VanDerWaalsContact CD1-CZ3 3.49Å; W206-W214 AromaticContact CD2-CH2 3.95Å; W206-W214 HydrophobicContact CD2-CH2 3.95Å; W206-W214 HydrophobicContact CD2-CZ2 4.31Å; W206-W214 HydrophobicContact CD2-CZ3 4.42Å; W206-W214 HydrophobicContact CG-CD2 4.39Å; W206-W214 HydrophobicContact CG-CE3 4.03Å; W206-W214 AromaticContact CG-CH2 3.53Å; W206-W214 HydrophobicContact CG-CH2 3.53Å; W206-W214 AromaticContact CG-CZ2 3.94Å; W206-W214 HydrophobicContact CG-CZ2 3.94Å; W206-W214 AromaticContact CG-CZ3 3.59Å; W206-W214 HydrophobicContact CG-CZ3 3.59Å; W214-S218 VanDerWaalsContact O-CB 3.26Å; W214-S218 WeakPolarHBondContact O-CB 3.33Å; W214-S218 PolarHBondContact O-N 3.24Å; W214-S218 PolarHBondContact O-OG 3.4Å; W214-V243 HydrophobicContact CB-CG1 4.4Å; W214-F247 HydrophobicContact CB-CB 4.32Å; W214-F247 HydrophobicContact CB-CD1 3.67Å; W214-F247 HydrophobicContact CB-CD2 4.18Å; W214-F247 HydrophobicContact CB-CE1 3.91Å; W214-F247 HydrophobicContact CB-CE2 4.4Å; W214-F247 HydrophobicContact CB-CG 3.79Å; W214-F247 HydrophobicContact CB-CZ 4.26Å; W214-F247 AromaticContact CD1-CD1 3.23Å; W214-F247 AromaticContact CD1-CE1 3.63Å; W214-F247 HydrophobicContact CD2-CB 3.48Å; W214-F247 VanDerWaalsContact CD2-CB 3.48Å; W214-F247 AromaticContact CD2-CD1 3.74Å; W214-F247 HydrophobicContact CD2-CD1 3.74Å; W214-F247 AromaticContact CD2-CG 3.82Å; W214-F247 HydrophobicContact CD2-CG 3.82Å; W214-F247 AromaticContact CE2-CD1 3.96Å; W214-F247 HydrophobicContact CE3-CB 3.46Å; W214-F247 VanDerWaalsContact CE3-CB 3.46Å; W214-F247 HydrophobicContact CE3-CG 4.2Å; W214-F247 HydrophobicContact CG-CB 3.9Å; W214-F247 AromaticContact CG-CD1 3.27Å; W214-F247 HydrophobicContact CG-CD1 3.27Å; W214-F247 AromaticContact CG-CE1 3.85Å; W214-F247 HydrophobicContact CG-CE1 3.85Å; W214-F247 AromaticContact CG-CG 3.64Å; W214-F247 HydrophobicContact CG-CG 3.64Å; W214-F247 HydrophobicContact CH2-CB 4.32Å; W214-F247 HydrophobicContact CZ2-CB 4.32Å; W214-F247 HydrophobicContact CZ3-CB 3.91Å; W214-F247 AromaticContact NE1-CD1 3.64Å; W214-E248 VanDerWaalsContact CH2-C 3.46Å; W214-Q261 HydrophobicContact CE3-CB 3.85Å; W214-Q261 HydrophobicContact CZ3-CB 3.87Å
215	F	98.8	Very high	96.6	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-66.3	-49.9	178.1	173.2	-115	0	0	0	112.3	I159 A196 S198 S213 S218 L219 V239 P263	I159-F215 HydrophobicContact CG2-CE1 3.74Å; I159-F215 HydrophobicContact CG2-CZ 4.22Å; A196-F215 HydrophobicContact CB-CZ 4.18Å; S198-F215 VanDerWaalsContact CB-CD1 3.41Å; S213-F215 PolarHBondContact O-N 3.42Å; F215-S218 PolarHBondContact O-N 2.96Å; F215-L219 HydrophobicContact CE1-CD2 4.33Å; F215-L219 HydrophobicContact CZ-CD2 4.23Å; F215-L219 VanDerWaalsContact O-CB 3.29Å; F215-L219 WeakPolarHBondContact O-CB 3.06Å; F215-L219 PolarHBondContact O-N 3.05Å; F215-V239 HydrophobicContact CD2-CG1 3.73Å; F215-V239 HydrophobicContact CE2-CG1 3.76Å; F215-P263 HydrophobicContact CD2-CB 3.82Å; F215-P263 HydrophobicContact CD2-CG 3.79Å; F215-P263 HydrophobicContact CE2-CB 3.97Å; F215-P263 HydrophobicContact CE2-CG 4.37Å
216	I	98.8	Very high	97.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-69.3	-38.7	-177.8	-61.8	-57.7	0	0	0	111.6	D70 L74 L119 I159 Q161 S213 S218 L219 C220	D70-I216 HydrophobicContact CB-CB 4.12Å; D70-I216 HydrophobicContact CB-CG1 4.35Å; D70-I216 HydrophobicContact CB-CG2 3.74Å; L74-I216 HydrophobicContact CD1-CD1 4.1Å; L74-I216 HydrophobicContact CD1-CG1 4.42Å; L74-I216 HydrophobicContact CD1-CG2 3.72Å; L74-I216 HydrophobicContact CD2-CD1 4.3Å; L74-I216 HydrophobicContact CD2-CG2 4.09Å; L74-I216 HydrophobicContact CG-CG2 3.6Å; L119-I216 HydrophobicContact CD2-CD1 4.15Å; L119-I216 HydrophobicContact CD2-CG1 4.06Å; I159-I216 HydrophobicContact CG2-CD1 4.15Å; Q161-I216 HydrophobicContact CB-CD1 4.17Å; Q161-I216 HydrophobicContact CB-CG1 3.99Å; Q161-I216 HydrophobicContact CG-CG1 4.16Å; S213-I216 PolarHBondContact O-N 2.97Å; S213-I216 WeakPolarHBondContact OG-CB 3.35Å; S213-I216 WeakPolarHBondContact OG-CG1 3.29Å; I216-S218 VanDerWaalsContact C-N 3.3Å; I216-S218 PolarHBondContact O-N 2.91Å; I216-L219 HydrophobicContact CD1-CD2 4.36Å; I216-L219 PolarHBondContact O-N 2.98Å; I216-C220 WeakPolarHBondContact O-CB 3.32Å; I216-C220 PolarHBondContact O-N 3.36Å; I216-C220 PolarHBondContact O-SG 2.86Å; I216-C220 VanDerWaalsContact O-SG 3.41Å
217	Q	98.7	Very high	97.5	Very high	46 Å²	46	39 Å²	39	22%	0.215	19%	0.194	C	C	.	.	H	α-helix	trans	-53.7	-50.5	170.7	-72.6	179.3	55.6	0	0	110.9	D211 G212 S213 A221	D211-Q217 VanDerWaalsContact O-CG 3.25Å; D211-Q217 WeakPolarHBondContact O-CG 3.29Å; D211-Q217 PolarHBondContact O-NE2 3.28Å; G212-Q217 PolarHBondContact O-NE2 2.98Å; S213-Q217 WeakPolarHBondContact O-CB 3.39Å; S213-Q217 VanDerWaalsContact O-CG 3.23Å; S213-Q217 WeakPolarHBondContact O-CG 3.4Å; S213-Q217 PolarHBondContact O-N 3.47Å; Q217-A221 WeakPolarHBondContact O-CB 3.35Å; Q217-A221 PolarHBondContact O-N 3.31Å; Q217-A221 VanDerWaalsContact O-N 3.07Å
218	S	98.8	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.1	-43	-178.9	-61.9	0	0	0	0	112.5	W214 F215 I216 A221 M222 V243 F247	W214-S218 VanDerWaalsContact O-CB 3.26Å; W214-S218 WeakPolarHBondContact O-CB 3.33Å; W214-S218 PolarHBondContact O-N 3.24Å; W214-S218 PolarHBondContact O-OG 3.4Å; F215-S218 PolarHBondContact O-N 2.96Å; I216-S218 VanDerWaalsContact C-N 3.3Å; I216-S218 PolarHBondContact O-N 2.91Å; S218-A221 PolarHBondContact O-N 2.95Å; S218-M222 WeakPolarHBondContact O-CB 3.46Å; S218-M222 VanDerWaalsContact O-CG 3.26Å; S218-M222 WeakPolarHBondContact O-CG 3.32Å; S218-M222 PolarHBondContact O-N 3.15Å; S218-V243 WeakPolarHBondContact OG-CG2 3.31Å; S218-F247 VanDerWaalsContact OG-CE2 3.3Å; S218-F247 WeakPolarHBondContact OG-CE2 3.49Å
219	L	98.9	Very high	97.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-51.5	178.4	177.4	62.1	0	0	0	111.4	L74 I159 F215 I216 A221 M222 L223 L236 V239	L74-L219 HydrophobicContact CD2-CD2 4.47Å; I159-L219 HydrophobicContact CD1-CD2 4.09Å; I159-L219 HydrophobicContact CG1-CD2 4.44Å; I159-L219 HydrophobicContact CG2-CD2 3.61Å; F215-L219 HydrophobicContact CE1-CD2 4.33Å; F215-L219 HydrophobicContact CZ-CD2 4.23Å; F215-L219 VanDerWaalsContact O-CB 3.29Å; F215-L219 WeakPolarHBondContact O-CB 3.06Å; F215-L219 PolarHBondContact O-N 3.05Å; I216-L219 HydrophobicContact CD1-CD2 4.36Å; I216-L219 PolarHBondContact O-N 2.98Å; L219-A221 VanDerWaalsContact C-N 3.33Å; L219-A221 PolarHBondContact O-N 2.8Å; L219-M222 PolarHBondContact O-N 3.31Å; L219-L223 HydrophobicContact CD1-CD1 3.85Å; L219-L223 HydrophobicContact CD1-CG 4.15Å; L219-L223 HydrophobicContact CG-CD1 3.93Å; L219-L223 WeakPolarHBondContact O-CB 3.15Å; L219-L223 WeakPolarHBondContact O-CG 3.48Å; L219-L223 PolarHBondContact O-N 2.89Å; L219-L236 HydrophobicContact CD1-CD2 3.82Å; L219-V239 HydrophobicContact CB-CG1 4.43Å; L219-V239 HydrophobicContact CB-CG2 4.39Å; L219-V239 HydrophobicContact CD1-CG2 4.09Å
220	C	98.8	Very high	98.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63	-40.4	179	-69.1	0	0	0	0	111.6	N73 T77 I216 K224	N73-C220 WeakPolarHBondContact ND2-CB 3.38Å; N73-C220 WeakPolarHBondContact OD1-CB 3.45Å; T77-C220 WeakPolarHBondContact OG1-CB 3.43Å; T77-C220 PolarHBondContact OG1-SG 3.4Å; I216-C220 WeakPolarHBondContact O-CB 3.32Å; I216-C220 PolarHBondContact O-N 3.36Å; I216-C220 PolarHBondContact O-SG 2.86Å; I216-C220 VanDerWaalsContact O-SG 3.41Å; C220-K224 WeakPolarHBondContact O-CB 3.47Å; C220-K224 VanDerWaalsContact O-CG 3.25Å; C220-K224 WeakPolarHBondContact O-CG 3.2Å; C220-K224 PolarHBondContact O-N 3.44Å
221	A	98.8	Very high	98.4	Very high	38 Å²	38	33.3 Å²	33.3	31%	0.314	16%	0.164	S	C	.	.	H	α-helix	trans	-61.4	-46.3	175.8	0	0	0	0	0	112.2	Q217 S218 L219 K224 Q225	Q217-A221 WeakPolarHBondContact O-CB 3.35Å; Q217-A221 PolarHBondContact O-N 3.31Å; Q217-A221 VanDerWaalsContact O-N 3.07Å; S218-A221 PolarHBondContact O-N 2.95Å; L219-A221 VanDerWaalsContact C-N 3.33Å; L219-A221 PolarHBondContact O-N 2.8Å; A221-K224 PolarHBondContact O-N 2.86Å; A221-Q225 WeakPolarHBondContact O-CB 3.46Å; A221-Q225 PolarHBondContact O-N 3.07Å; A221-Q225 VanDerWaalsContact O-N 3.12Å
222	M	98.9	Very high	98.6	Very high	17 Å²	17	29.7 Å²	29.7	8%	0.084	14%	0.144	C	C	.	.	H	α-helix	trans	-69.3	-38.6	-179.7	-65.2	-60.1	91.7	0	0	112.3	S218 L219 Q225 Y226 I235 R238 V239 K242	S218-M222 WeakPolarHBondContact O-CB 3.46Å; S218-M222 VanDerWaalsContact O-CG 3.26Å; S218-M222 WeakPolarHBondContact O-CG 3.32Å; S218-M222 PolarHBondContact O-N 3.15Å; L219-M222 PolarHBondContact O-N 3.31Å; M222-Q225 PolarHBondContact O-N 3.11Å; M222-Y226 HydrophobicContact CB-CD2 4.48Å; M222-Y226 HydrophobicContact CE-CE2 4.17Å; M222-Y226 WeakPolarHBondContact O-CB 3.4Å; M222-Y226 WeakPolarHBondContact O-CD2 3.47Å; M222-Y226 PolarHBondContact O-N 2.96Å; M222-Y226 HydrophobicContact SD-CD2 4.03Å; M222-Y226 HydrophobicContact SD-CE2 3.74Å; M222-I235 HydrophobicContact CB-CG2 3.84Å; M222-R238 HydrophobicContact CG-CB 4.22Å; M222-R238 HydrophobicContact SD-CB 3.72Å; M222-V239 HydrophobicContact CB-CG2 3.72Å; M222-V239 HydrophobicContact CG-CG2 3.66Å; M222-K242 HydrophobicContact CE-CD 3.98Å
223	L	98.8	Very high	98.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-63.6	-47.8	173.8	-75.7	169.9	0	0	0	111.3	T77 F78 L81 L219 Q225 Y226 A227 F232 I235 F275	T77-L223 HydrophobicContact CG2-CB 3.63Å; T77-L223 HydrophobicContact CG2-CD1 3.85Å; T77-L223 HydrophobicContact CG2-CG 4.41Å; F78-L223 HydrophobicContact CE2-CD1 4.44Å; F78-L223 HydrophobicContact CZ-CD1 4.18Å; L81-L223 HydrophobicContact CD1-CD1 4.43Å; L81-L223 HydrophobicContact CD1-CD2 4.16Å; L219-L223 HydrophobicContact CD1-CD1 3.85Å; L219-L223 HydrophobicContact CD1-CG 4.15Å; L219-L223 HydrophobicContact CG-CD1 3.93Å; L219-L223 WeakPolarHBondContact O-CB 3.15Å; L219-L223 WeakPolarHBondContact O-CG 3.48Å; L219-L223 PolarHBondContact O-N 2.89Å; L223-Q225 PolarHBondContact O-N 2.97Å; L223-Y226 PolarHBondContact O-N 3.48Å; L223-A227 HydrophobicContact CD2-CB 4.36Å; L223-A227 WeakPolarHBondContact O-CB 3.15Å; L223-A227 PolarHBondContact O-N 3.48Å; L223-F232 HydrophobicContact CD2-CD2 4.39Å; L223-F232 HydrophobicContact CD2-CE2 4.15Å; L223-I235 HydrophobicContact CD2-CD1 4.27Å; L223-I235 HydrophobicContact CD2-CG2 4.14Å; L223-I235 HydrophobicContact CG-CG2 4.39Å; L223-F275 HydrophobicContact CD2-CD2 4.26Å; L223-F275 HydrophobicContact CD2-CE2 3.68Å; L223-F275 HydrophobicContact CD2-CZ 4.32Å
224	K	98.6	Very high	98.7	Very high	96 Å²	96	37.8 Å²	37.8	42%	0.417	18%	0.183	S	C	.	.	H	α-helix	trans	-57.3	-33.9	177.1	-76.6	173.6	175.9	174.8	0	112.5	N73 E76 T77 C220 A221	N73-K224 PolarHBondContact OD1-NZ 3.05Å; E76-K224 IonicContact OE1-NZ 3.57Å; E76-K224 IonicContact OE2-NZ 3.56Å; E76-K224 PolarHBondContact OE2-NZ 3.08Å; T77-K224 HydrophobicContact CG2-CG 4.49Å; T77-K224 WeakPolarHBondContact OG1-CE 3.49Å; C220-K224 WeakPolarHBondContact O-CB 3.47Å; C220-K224 VanDerWaalsContact O-CG 3.25Å; C220-K224 WeakPolarHBondContact O-CG 3.2Å; C220-K224 PolarHBondContact O-N 3.44Å; A221-K224 PolarHBondContact O-N 2.86Å
225	Q	98.6	Very high	98.7	Very high	91 Å²	91	37 Å²	37	43%	0.425	18%	0.18	S	C	.	.	H	α-helix	trans	-88.1	-32.2	-176.3	-169	175.8	10.1	0	0	114.2	A221 M222 L223 K229	A221-Q225 WeakPolarHBondContact O-CB 3.46Å; A221-Q225 PolarHBondContact O-N 3.07Å; A221-Q225 VanDerWaalsContact O-N 3.12Å; M222-Q225 PolarHBondContact O-N 3.11Å; L223-Q225 PolarHBondContact O-N 2.97Å; Q225-K229 PolarHBondContact O-NZ 3.45Å
226	Y	98.8	Very high	98.7	Very high	51 Å²	51	36.9 Å²	36.9	20%	0.2	18%	0.179	C	C	.	.	H	α-helix	trans	-130.6	-4	-163.9	-59.8	-61.4	0	0	0	116	M222 L223 D228 K229 L230	M222-Y226 HydrophobicContact CB-CD2 4.48Å; M222-Y226 HydrophobicContact CE-CE2 4.17Å; M222-Y226 WeakPolarHBondContact O-CB 3.4Å; M222-Y226 WeakPolarHBondContact O-CD2 3.47Å; M222-Y226 PolarHBondContact O-N 2.96Å; M222-Y226 HydrophobicContact SD-CD2 4.03Å; M222-Y226 HydrophobicContact SD-CE2 3.74Å; L223-Y226 PolarHBondContact O-N 3.48Å; Y226-D228 PolarHBondContact O-N 3.42Å; Y226-D228 VanDerWaalsContact O-N 3.12Å; Y226-K229 HydrophobicContact CD1-CD 4.31Å; Y226-K229 PolarHBondContact O-N 2.98Å; Y226-L230 HydrophobicContact CD1-CD1 4.33Å; Y226-L230 HydrophobicContact CG-CD1 4.06Å; Y226-L230 PolarHBondContact O-N 3.49Å
227	A	98.4	Very high	98.7	Very high	6 Å²	6	40.3 Å²	40.3	5%	0.05	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.8	-180	0	0	0	0	0	113.8	L81 L223 I235 F275 Y276	L81-A227 HydrophobicContact CD2-CB 3.4Å; L81-A227 VanDerWaalsContact CD2-CB 3.4Å; L223-A227 HydrophobicContact CD2-CB 4.36Å; L223-A227 WeakPolarHBondContact O-CB 3.15Å; L223-A227 PolarHBondContact O-N 3.48Å; A227-I235 HydrophobicContact CB-CD1 4.43Å; A227-F275 HydrophobicContact CB-CB 4.43Å; A227-F275 HydrophobicContact CB-CD2 4.11Å; A227-Y276 WeakPolarHBondContact O-CD1 3.49Å
228	D	98.3	Very high	98.7	Very high	94 Å²	94	41.3 Å²	41.3	50%	0.503	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	1.4	174.5	65.6	-32	0	0	0	113.7	Y226	Y226-D228 PolarHBondContact O-N 3.42Å; Y226-D228 VanDerWaalsContact O-N 3.12Å
229	K	98.3	Very high	98.7	Very high	120 Å²	120	41.3 Å²	41.3	52%	0.522	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.3	-29.2	-169	-69.6	161.6	-164.6	139.8	0	114.4	Q225 Y226	Q225-K229 PolarHBondContact O-NZ 3.45Å; Y226-K229 HydrophobicContact CD1-CD 4.31Å; Y226-K229 PolarHBondContact O-N 2.98Å
230	L	98.7	Very high	98.7	Very high	28 Å²	28	42.9 Å²	42.9	15%	0.147	21%	0.21	C	C	.	.	S	Bend	trans	-126	150.6	-169.6	-68.7	-171.8	0	0	0	112.6	Y226 H234 I235	Y226-L230 HydrophobicContact CD1-CD1 4.33Å; Y226-L230 HydrophobicContact CG-CD1 4.06Å; Y226-L230 PolarHBondContact O-N 3.49Å; L230-H234 HydrophobicContact CB-CB 4.37Å; L230-H234 HydrophobicContact CD1-CB 4.12Å; L230-I235 HydrophobicContact CB-CD1 4.25Å; L230-I235 HydrophobicContact CB-CG1 3.67Å; L230-I235 HydrophobicContact CD1-CG1 4.23Å
231	E	98.7	Very high	98.6	Very high	14 Å²	14	49.3 Å²	49.3	7%	0.065	24%	0.235	C	C	.	.			trans	-63.9	145.9	162.4	-163.1	-73	141.3	0	0	110.2	M233 H234 I235 E272 L273 Y274	E231-M233 PolarHBondContact O-N 2.61Å; E231-M233 WeakPolarHBondContact OE2-CA 3.33Å; E231-M233 WeakPolarHBondContact OE2-CB 3.27Å; E231-M233 PolarHBondContact OE2-N 3.23Å; E231-H234 WeakPolarHBondContact O-CB 3.31Å; E231-H234 PolarHBondContact O-N 2.92Å; E231-H234 VanDerWaalsContact O-N 3.08Å; E231-H234 PolarHBondContact OE2-N 2.88Å; E231-I235 PolarHBondContact O-N 3.45Å; E231-I235 VanDerWaalsContact O-N 3.09Å; E231-E272 HydrophobicContact CG-CB 3.78Å; E231-E272 HydrophobicContact CG-CG 4.15Å; E231-L273 WeakPolarHBondContact CA-O 3.41Å; E231-L273 PolarHBondContact OE1-N 2.94Å; E231-Y274 HydrophobicContact CB-CD1 4.12Å; E231-Y274 HydrophobicContact CB-CE1 3.52Å; E231-Y274 HydrophobicContact CB-CE2 4.38Å; E231-Y274 HydrophobicContact CG-CE1 4.15Å; E231-Y274 HydrophobicContact CG-CE2 4.13Å
232	F	98.8	Very high	98.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-36.4	-169	-174	-139.8	0	0	0	115.1	L157 L194 L223 H234 I235 L236 L273 F275	L157-F232 HydrophobicContact CD1-CD1 4.2Å; L157-F232 HydrophobicContact CD1-CE1 3.75Å; L157-F232 HydrophobicContact CD1-CZ 4.41Å; L157-F232 HydrophobicContact CD2-CD1 4.4Å; L157-F232 HydrophobicContact CD2-CE1 4.11Å; L157-F232 HydrophobicContact CG-CE1 4.43Å; L194-F232 HydrophobicContact CD1-CD1 4.05Å; L194-F232 HydrophobicContact CD1-CE1 4.15Å; L194-F232 HydrophobicContact CD2-CE1 3.95Å; L223-F232 HydrophobicContact CD2-CD2 4.39Å; L223-F232 HydrophobicContact CD2-CE2 4.15Å; F232-H234 VanDerWaalsContact C-N 3.28Å; F232-H234 PolarHBondContact O-N 2.76Å; F232-I235 HydrophobicContact CD2-CB 4.3Å; F232-I235 WeakPolarHBondContact O-CB 3.3Å; F232-I235 PolarHBondContact O-N 2.82Å; F232-I235 VanDerWaalsContact O-N 3.14Å; F232-L236 HydrophobicContact CD1-CD1 4.19Å; F232-L236 HydrophobicContact CD2-CD1 4.46Å; F232-L236 HydrophobicContact CD2-CG 4.07Å; F232-L236 HydrophobicContact CE1-CD1 3.85Å; F232-L236 HydrophobicContact CE1-CG 4.37Å; F232-L236 HydrophobicContact CE2-CD1 4.13Å; F232-L236 HydrophobicContact CE2-CD2 3.75Å; F232-L236 HydrophobicContact CE2-CG 3.74Å; F232-L236 HydrophobicContact CG-CD1 4.49Å; F232-L236 HydrophobicContact CZ-CD1 3.82Å; F232-L236 HydrophobicContact CZ-CD2 3.85Å; F232-L236 HydrophobicContact CZ-CG 3.92Å; F232-L236 WeakPolarHBondContact O-CG 3.39Å; F232-L236 PolarHBondContact O-N 2.81Å; F232-L273 HydrophobicContact CB-CB 4.19Å; F232-L273 HydrophobicContact CB-CD2 3.89Å; F232-L273 HydrophobicContact CD1-CD2 4.44Å; F232-L273 HydrophobicContact CG-CD2 4.36Å; F232-L273 PolarHBondContact N-O 3.44Å; F232-F275 HydrophobicContact CB-CE2 4.15Å; F232-F275 HydrophobicContact CD1-CZ 4.38Å; F232-F275 AromaticContact CD2-CE2 3.53Å; F232-F275 HydrophobicContact CD2-CE2 3.53Å; F232-F275 AromaticContact CD2-CZ 3.88Å; F232-F275 HydrophobicContact CD2-CZ 3.88Å; F232-F275 HydrophobicContact CE2-CE2 4.05Å; F232-F275 HydrophobicContact CE2-CZ 4.08Å; F232-F275 AromaticContact CG-CE2 3.89Å; F232-F275 HydrophobicContact CG-CE2 3.89Å; F232-F275 HydrophobicContact CG-CZ 4.04Å; F232-F275 HydrophobicContact CZ-CZ 4.41Å
233	M	98.6	Very high	98.6	Very high	59 Å²	59	48.7 Å²	48.7	29%	0.291	22%	0.224	S	C	.	.	H	α-helix	trans	-62.1	-37.1	172.5	-67.2	-68.1	-62.9	0	0	111.5	L194 E231 L236 T237 I265	L194-M233 HydrophobicContact CD1-SD 3.72Å; E231-M233 PolarHBondContact O-N 2.61Å; E231-M233 WeakPolarHBondContact OE2-CA 3.33Å; E231-M233 WeakPolarHBondContact OE2-CB 3.27Å; E231-M233 PolarHBondContact OE2-N 3.23Å; M233-L236 PolarHBondContact O-N 3.23Å; M233-T237 WeakPolarHBondContact O-CB 3.32Å; M233-T237 PolarHBondContact O-N 3.38Å; M233-T237 PolarHBondContact O-OG1 3.32Å; M233-I265 HydrophobicContact CE-CB 4.48Å; M233-I265 HydrophobicContact CE-CG2 3.59Å; M233-I265 HydrophobicContact SD-CG2 3.65Å
234	H	98.8	Very high	98.3	Very high	112 Å²	112	50.1 Å²	50.1	52%	0.519	24%	0.237	S	C	.	.	H	α-helix	trans	-65.7	-39.2	173.1	-63.8	142.1	0	0	0	111.9	L230 E231 F232 T237 R238	L230-H234 HydrophobicContact CB-CB 4.37Å; L230-H234 HydrophobicContact CD1-CB 4.12Å; E231-H234 WeakPolarHBondContact O-CB 3.31Å; E231-H234 PolarHBondContact O-N 2.92Å; E231-H234 VanDerWaalsContact O-N 3.08Å; E231-H234 PolarHBondContact OE2-N 2.88Å; F232-H234 VanDerWaalsContact C-N 3.28Å; F232-H234 PolarHBondContact O-N 2.76Å; H234-T237 PolarHBondContact O-N 3.31Å; H234-R238 WeakPolarHBondContact O-CG 3.48Å; H234-R238 PolarHBondContact O-N 2.67Å; H234-R238 VanDerWaalsContact O-N 3.15Å
235	I	98.9	Very high	98.1	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-50.9	173.7	-61.5	175.5	0	0	0	109.9	M222 L223 A227 L230 E231 F232 T237 R238 V239	M222-I235 HydrophobicContact CB-CG2 3.84Å; L223-I235 HydrophobicContact CD2-CD1 4.27Å; L223-I235 HydrophobicContact CD2-CG2 4.14Å; L223-I235 HydrophobicContact CG-CG2 4.39Å; A227-I235 HydrophobicContact CB-CD1 4.43Å; L230-I235 HydrophobicContact CB-CD1 4.25Å; L230-I235 HydrophobicContact CB-CG1 3.67Å; L230-I235 HydrophobicContact CD1-CG1 4.23Å; E231-I235 PolarHBondContact O-N 3.45Å; E231-I235 VanDerWaalsContact O-N 3.09Å; F232-I235 HydrophobicContact CD2-CB 4.3Å; F232-I235 WeakPolarHBondContact O-CB 3.3Å; F232-I235 PolarHBondContact O-N 2.82Å; F232-I235 VanDerWaalsContact O-N 3.14Å; I235-T237 VanDerWaalsContact C-N 3.28Å; I235-T237 PolarHBondContact O-N 3.23Å; I235-R238 WeakPolarHBondContact O-CA 3.46Å; I235-R238 WeakPolarHBondContact O-CB 3.1Å; I235-R238 PolarHBondContact O-N 2.92Å; I235-V239 WeakPolarHBondContact O-CG2 3.41Å; I235-V239 PolarHBondContact O-N 3.12Å
236	L	98.8	Very high	98	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-34.7	179.6	-67.5	177.6	0	0	0	112.4	L194 A196 L219 F232 M233 R238 V239 N240 I265	L194-L236 HydrophobicContact CD1-CD1 4.15Å; L194-L236 HydrophobicContact CD2-CD1 3.8Å; A196-L236 HydrophobicContact CB-CD1 4.26Å; A196-L236 HydrophobicContact CB-CD2 4.2Å; L219-L236 HydrophobicContact CD1-CD2 3.82Å; F232-L236 HydrophobicContact CD1-CD1 4.19Å; F232-L236 HydrophobicContact CD2-CD1 4.46Å; F232-L236 HydrophobicContact CD2-CG 4.07Å; F232-L236 HydrophobicContact CE1-CD1 3.85Å; F232-L236 HydrophobicContact CE1-CG 4.37Å; F232-L236 HydrophobicContact CE2-CD1 4.13Å; F232-L236 HydrophobicContact CE2-CD2 3.75Å; F232-L236 HydrophobicContact CE2-CG 3.74Å; F232-L236 HydrophobicContact CG-CD1 4.49Å; F232-L236 HydrophobicContact CZ-CD1 3.82Å; F232-L236 HydrophobicContact CZ-CD2 3.85Å; F232-L236 HydrophobicContact CZ-CG 3.92Å; F232-L236 WeakPolarHBondContact O-CG 3.39Å; F232-L236 PolarHBondContact O-N 2.81Å; M233-L236 PolarHBondContact O-N 3.23Å; L236-R238 VanDerWaalsContact C-N 3.27Å; L236-R238 PolarHBondContact O-N 2.9Å; L236-V239 CarbonylContact O-C 3.38Å; L236-V239 WeakPolarHBondContact O-CA 3.43Å; L236-V239 WeakPolarHBondContact O-CB 3.32Å; L236-V239 PolarHBondContact O-N 2.67Å; L236-V239 VanDerWaalsContact O-N 3.11Å; L236-N240 PolarHBondContact O-N 3.44Å; L236-N240 PolarHBondContact O-OD1 2.8Å; L236-I265 HydrophobicContact CB-CD1 3.49Å; L236-I265 VanDerWaalsContact CB-CD1 3.49Å; L236-I265 HydrophobicContact CB-CG1 4Å; L236-I265 HydrophobicContact CD1-CG1 4.37Å; L236-I265 HydrophobicContact CD1-CG2 3.97Å
237	T	98.7	Very high	97.9	Very high	71 Å²	71	50.4 Å²	50.4	44%	0.436	25%	0.247	S	C	.	.	H	α-helix	trans	-62.8	-35.6	173	-58.7	0	0	0	0	111.7	M233 H234 I235 N240 R241	M233-T237 WeakPolarHBondContact O-CB 3.32Å; M233-T237 PolarHBondContact O-N 3.38Å; M233-T237 PolarHBondContact O-OG1 3.32Å; H234-T237 PolarHBondContact O-N 3.31Å; I235-T237 VanDerWaalsContact C-N 3.28Å; I235-T237 PolarHBondContact O-N 3.23Å; T237-N240 WeakPolarHBondContact O-CB 3.47Å; T237-N240 PolarHBondContact O-N 3.07Å; T237-R241 PolarHBondContact O-N 2.83Å; T237-R241 VanDerWaalsContact O-N 3.14Å
238	R	98.8	Very high	97.7	Very high	67 Å²	67	55.5 Å²	55.5	25%	0.253	27%	0.27	S	S	.	.	H	α-helix	trans	-71.5	-34.4	172.6	-63.2	-169.3	177.9	162.3	1.9	112.3	M222 H234 I235 L236 N240 R241 K242	M222-R238 HydrophobicContact CG-CB 4.22Å; M222-R238 HydrophobicContact SD-CB 3.72Å; H234-R238 WeakPolarHBondContact O-CG 3.48Å; H234-R238 PolarHBondContact O-N 2.67Å; H234-R238 VanDerWaalsContact O-N 3.15Å; I235-R238 WeakPolarHBondContact O-CA 3.46Å; I235-R238 WeakPolarHBondContact O-CB 3.1Å; I235-R238 PolarHBondContact O-N 2.92Å; L236-R238 VanDerWaalsContact C-N 3.27Å; L236-R238 PolarHBondContact O-N 2.9Å; R238-N240 VanDerWaalsContact C-N 3.34Å; R238-R241 PolarHBondContact O-N 3.12Å; R238-K242 WeakPolarHBondContact O-CB 3.45Å; R238-K242 PolarHBondContact O-N 2.62Å
239	V	98.8	Very high	97.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-47.5	170.5	178.1	0	0	0	0	110	F215 L219 M222 I235 L236 R241 K242 V243	F215-V239 HydrophobicContact CD2-CG1 3.73Å; F215-V239 HydrophobicContact CE2-CG1 3.76Å; L219-V239 HydrophobicContact CB-CG1 4.43Å; L219-V239 HydrophobicContact CB-CG2 4.39Å; L219-V239 HydrophobicContact CD1-CG2 4.09Å; M222-V239 HydrophobicContact CB-CG2 3.72Å; M222-V239 HydrophobicContact CG-CG2 3.66Å; I235-V239 WeakPolarHBondContact O-CG2 3.41Å; I235-V239 PolarHBondContact O-N 3.12Å; L236-V239 CarbonylContact O-C 3.38Å; L236-V239 WeakPolarHBondContact O-CA 3.43Å; L236-V239 WeakPolarHBondContact O-CB 3.32Å; L236-V239 PolarHBondContact O-N 2.67Å; L236-V239 VanDerWaalsContact O-N 3.11Å; V239-R241 PolarHBondContact O-N 2.85Å; V239-K242 PolarHBondContact O-N 3.02Å; V239-V243 HydrophobicContact CG1-CG2 4.26Å; V239-V243 WeakPolarHBondContact O-CG2 3.44Å; V239-V243 PolarHBondContact O-N 3.07Å
240	N	98.4	Very high	97.3	Very high	33 Å²	33	53.5 Å²	53.5	18%	0.176	26%	0.257	C	S	.	.	H	α-helix	trans	-54.2	-51.7	176.7	-75.4	11	0	0	0	111.5	L236 T237 R238 K242 V243 A244 I262 P263	L236-N240 PolarHBondContact O-N 3.44Å; L236-N240 PolarHBondContact O-OD1 2.8Å; T237-N240 WeakPolarHBondContact O-CB 3.47Å; T237-N240 PolarHBondContact O-N 3.07Å; R238-N240 VanDerWaalsContact C-N 3.34Å; N240-K242 PolarHBondContact O-N 2.8Å; N240-V243 PolarHBondContact O-N 2.79Å; N240-A244 WeakPolarHBondContact O-CB 3.32Å; N240-A244 PolarHBondContact O-N 2.91Å; N240-I262 HydrophobicContact CB-CD1 3.96Å; N240-P263 WeakPolarHBondContact OD1-CB 3.49Å
241	R	98.3	Very high	97	Very high	136 Å²	136	53.6 Å²	53.6	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-60.5	-45.7	179	-175.7	173.2	63.8	-105.5	2.9	112	T237 R238 V239 A244 T245	T237-R241 PolarHBondContact O-N 2.83Å; T237-R241 VanDerWaalsContact O-N 3.14Å; R238-R241 PolarHBondContact O-N 3.12Å; V239-R241 PolarHBondContact O-N 2.85Å; R241-A244 PolarHBondContact O-N 2.95Å; R241-T245 HydrophobicContact CG-CG2 4.24Å; R241-T245 WeakPolarHBondContact O-CB 3.32Å; R241-T245 WeakPolarHBondContact O-CG2 3.48Å; R241-T245 PolarHBondContact O-N 3.21Å; R241-T245 PolarHBondContact O-OG1 3.43Å
242	K	98.5	Very high	96.6	Very high	42 Å²	42	61.2 Å²	61.2	18%	0.183	30%	0.301	C	S	.	.	H	α-helix	trans	-60.7	-47.6	-179.4	-178	169.3	-176.8	75.6	0	111.4	M222 R238 V239 N240 T245 E246 F247	M222-K242 HydrophobicContact CE-CD 3.98Å; R238-K242 WeakPolarHBondContact O-CB 3.45Å; R238-K242 PolarHBondContact O-N 2.62Å; V239-K242 PolarHBondContact O-N 3.02Å; N240-K242 PolarHBondContact O-N 2.8Å; K242-T245 PolarHBondContact O-N 3.29Å; K242-E246 HydrophobicContact CG-CG 4.41Å; K242-E246 WeakPolarHBondContact CG-OE1 3.34Å; K242-E246 IonicContact NZ-OE1 2.73Å; K242-E246 PolarHBondContact NZ-OE1 3.28Å; K242-E246 IonicContact NZ-OE2 3.48Å; K242-E246 PolarHBondContact NZ-OE2 3.38Å; K242-E246 WeakPolarHBondContact O-CB 3.46Å; K242-E246 PolarHBondContact O-N 2.91Å; K242-F247 HydrophobicContact CG-CE2 4.34Å
243	V	97.6	Very high	96.3	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-45.7	178.1	177.8	0	0	0	0	111.1	W214 S218 V239 N240 T245 Q261 P263	W214-V243 HydrophobicContact CB-CG1 4.4Å; S218-V243 WeakPolarHBondContact OG-CG2 3.31Å; V239-V243 HydrophobicContact CG1-CG2 4.26Å; V239-V243 WeakPolarHBondContact O-CG2 3.44Å; V239-V243 PolarHBondContact O-N 3.07Å; N240-V243 PolarHBondContact O-N 2.79Å; V243-T245 PolarHBondContact O-N 2.85Å; V243-Q261 HydrophobicContact CG1-CB 4Å; V243-Q261 HydrophobicContact CG1-CG 4.04Å; V243-P263 HydrophobicContact CB-CG 3.76Å; V243-P263 HydrophobicContact CG1-CG 3.92Å; V243-P263 HydrophobicContact CG2-CG 3.76Å
244	A	93.4	Very high	95.9	Very high	32 Å²	32	65.9 Å²	65.9	26%	0.264	34%	0.339	S	S	.	.	H	α-helix	trans	-65.8	-36.4	-178	0	0	0	0	0	113.4	N240 R241 K260 Q261 I262	N240-A244 WeakPolarHBondContact O-CB 3.32Å; N240-A244 PolarHBondContact O-N 2.91Å; R241-A244 PolarHBondContact O-N 2.95Å; A244-K260 WeakPolarHBondContact O-CE 3.29Å; A244-K260 PolarHBondContact O-NZ 3.26Å; A244-Q261 WeakPolarHBondContact CA-O 3.42Å; A244-I262 HydrophobicContact CB-CD1 4.19Å
245	T	93.8	Very high	95.5	Very high	92 Å²	92	64.4 Å²	64.4	56%	0.564	34%	0.337	S	S	*	.	H	α-helix	trans	-97.3	-34.2	-170	56	0	0	0	0	114	R241 K242 V243	R241-T245 HydrophobicContact CG-CG2 4.24Å; R241-T245 WeakPolarHBondContact O-CB 3.32Å; R241-T245 WeakPolarHBondContact O-CG2 3.48Å; R241-T245 PolarHBondContact O-N 3.21Å; R241-T245 PolarHBondContact O-OG1 3.43Å; K242-T245 PolarHBondContact O-N 3.29Å; V243-T245 PolarHBondContact O-N 2.85Å
246	E	97.1	Very high	95.1	Very high	121 Å²	121	67.8 Å²	67.8	57%	0.565	35%	0.352	S	S	*	.	H	α-helix	trans	-98.3	-9.4	-172.7	-61.8	-175.8	-144.3	0	0	114.2	K242	K242-E246 HydrophobicContact CG-CG 4.41Å; K242-E246 WeakPolarHBondContact CG-OE1 3.34Å; K242-E246 IonicContact NZ-OE1 2.73Å; K242-E246 PolarHBondContact NZ-OE1 3.28Å; K242-E246 IonicContact NZ-OE2 3.48Å; K242-E246 PolarHBondContact NZ-OE2 3.38Å; K242-E246 WeakPolarHBondContact O-CB 3.46Å; K242-E246 PolarHBondContact O-N 2.91Å
247	F	95.7	Very high	94.8	Very high	30 Å²	30	71.4 Å²	71.4	13%	0.132	37%	0.369	C	S	.	.			trans	-119.9	141.1	-175.9	-61.9	-94.1	0	0	0	112.6	W214 S218 K242 K260	W214-F247 HydrophobicContact CB-CB 4.32Å; W214-F247 HydrophobicContact CB-CD1 3.67Å; W214-F247 HydrophobicContact CB-CD2 4.18Å; W214-F247 HydrophobicContact CB-CE1 3.91Å; W214-F247 HydrophobicContact CB-CE2 4.4Å; W214-F247 HydrophobicContact CB-CG 3.79Å; W214-F247 HydrophobicContact CB-CZ 4.26Å; W214-F247 AromaticContact CD1-CD1 3.23Å; W214-F247 AromaticContact CD1-CE1 3.63Å; W214-F247 HydrophobicContact CD2-CB 3.48Å; W214-F247 VanDerWaalsContact CD2-CB 3.48Å; W214-F247 AromaticContact CD2-CD1 3.74Å; W214-F247 HydrophobicContact CD2-CD1 3.74Å; W214-F247 AromaticContact CD2-CG 3.82Å; W214-F247 HydrophobicContact CD2-CG 3.82Å; W214-F247 AromaticContact CE2-CD1 3.96Å; W214-F247 HydrophobicContact CE3-CB 3.46Å; W214-F247 VanDerWaalsContact CE3-CB 3.46Å; W214-F247 HydrophobicContact CE3-CG 4.2Å; W214-F247 HydrophobicContact CG-CB 3.9Å; W214-F247 AromaticContact CG-CD1 3.27Å; W214-F247 HydrophobicContact CG-CD1 3.27Å; W214-F247 AromaticContact CG-CE1 3.85Å; W214-F247 HydrophobicContact CG-CE1 3.85Å; W214-F247 AromaticContact CG-CG 3.64Å; W214-F247 HydrophobicContact CG-CG 3.64Å; W214-F247 HydrophobicContact CH2-CB 4.32Å; W214-F247 HydrophobicContact CZ2-CB 4.32Å; W214-F247 HydrophobicContact CZ3-CB 3.91Å; W214-F247 AromaticContact NE1-CD1 3.64Å; S218-F247 VanDerWaalsContact OG-CE2 3.3Å; S218-F247 WeakPolarHBondContact OG-CE2 3.49Å; K242-F247 HydrophobicContact CG-CE2 4.34Å; F247-K260 WeakPolarHBondContact O-CE 3.47Å; F247-K260 PolarHBondContact O-NZ 2.79Å
248	E	95.8	Very high	94.5	Very high	113 Å²	113	69.8 Å²	69.8	53%	0.528	36%	0.363	S	S	.	.			trans	-153.8	143.9	174.2	-174.8	174	111.1	0	0	108.8	W214 K259 K260	W214-E248 VanDerWaalsContact CH2-C 3.46Å; E248-K259 WeakPolarHBondContact CA-O 3.45Å; E248-K260 HydrophobicContact CB-CD 4.27Å; E248-K260 HydrophobicContact CG-CD 4.1Å
249	S	93.8	Very high	94.3	Very high	4 Å²	4	67.9 Å²	67.9	3%	0.028	36%	0.356	C	S	.	.			trans	-79.2	137.5	-175.6	71.4	0	0	0	0	112.2	W206 F256 H257 A258 K259	W206-S249 VanDerWaalsContact CZ3-CB 3.46Å; S249-F256 WeakPolarHBondContact CB-O 3.39Å; S249-F256 PolarHBondContact OG-O 2.91Å; S249-H257 PolarHBondContact O-ND1 3.31Å; S249-A258 PolarHBondContact O-N 3.4Å; S249-A258 PolarHBondContact OG-N 2.98Å; S249-K259 PolarHBondContact N-O 3.12Å; S249-K259 WeakPolarHBondContact OG-CA 3.15Å; S249-K259 VanDerWaalsContact OG-CB 3.29Å; S249-K259 WeakPolarHBondContact OG-CB 3.28Å; S249-K259 PolarHBondContact OG-N 2.66Å
250	F	93.7	Very high	94.1	Very high	168 Å²	168	69.9 Å²	69.9	74%	0.737	37%	0.365	S	S	*	.			trans	-110	124.2	166.9	-177.7	-95.2	0	0	0	109.6	H257	F250-H257 AromaticContact CD2-CE1 3.67Å
251	S	91.8	Very high	93.9	Very high	31 Å²	31	68.5 Å²	68.5	22%	0.217	36%	0.357	C	S	.	.			trans	-146.3	145.4	179.2	178.3	0	0	0	0	109.7	D253	S251-D253 VanDerWaalsContact C-N 3.27Å; S251-D253 WeakPolarHBondContact CB-O 3.36Å; S251-D253 PolarHBondContact OG-N 2.82Å; S251-D253 PolarHBondContact OG-O 3.2Å; S251-D253 VanDerWaalsContact OG-O 3.08Å
252	L	91.9	Very high	93.8	Very high	173 Å²	173	65.2 Å²	65.2	91%	0.906	35%	0.349	S	S	*	.	S	Bend	trans	-73.1	-25.3	169.6	-63.5	176.1	0	0	0	111.7
253	D	91.8	Very high	93.7	Very high	76 Å²	76	63.5 Å²	63.5	41%	0.406	34%	0.342	S	S	.	.	S	Bend	trans	-81.2	115.8	169.1	-176	-16.6	0	0	0	109.1	S251 T255 F256 H257	S251-D253 VanDerWaalsContact C-N 3.27Å; S251-D253 WeakPolarHBondContact CB-O 3.36Å; S251-D253 PolarHBondContact OG-N 2.82Å; S251-D253 PolarHBondContact OG-O 3.2Å; S251-D253 VanDerWaalsContact OG-O 3.08Å; D253-T255 PolarHBondContact O-N 3.41Å; D253-T255 VanDerWaalsContact O-N 3.15Å; D253-T255 WeakPolarHBondContact OD1-CB 3.42Å; D253-T255 PolarHBondContact OD1-N 2.91Å; D253-T255 PolarHBondContact OD1-OG1 3.26Å; D253-F256 HydrophobicContact CB-CD2 4.12Å; D253-F256 PolarHBondContact O-N 2.71Å; D253-F256 WeakPolarHBondContact OD2-CD2 3.28Å; D253-H257 PolarHBondContact O-N 3.5Å
254	A	90.1	Very high	93.6	Very high	82 Å²	82	64.9 Å²	64.9	68%	0.678	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-56.1	-28.5	179.4	0	0	0	0	0	112.8	F256 H257	A254-F256 PolarHBondContact O-N 3.26Å; A254-H257 PolarHBondContact O-N 3.05Å
255	T	89.8	Confident	93.8	Very high	80 Å²	80	65.2 Å²	65.2	49%	0.491	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-59.4	-36.6	175.6	-46.4	0	0	0	0	111.2	L168 D253 K259	L168-T255 HydrophobicContact CD1-CG2 4.17Å; L168-T255 WeakPolarHBondContact CD1-O 3.19Å; D253-T255 PolarHBondContact O-N 3.41Å; D253-T255 VanDerWaalsContact O-N 3.15Å; D253-T255 WeakPolarHBondContact OD1-CB 3.42Å; D253-T255 PolarHBondContact OD1-N 2.91Å; D253-T255 PolarHBondContact OD1-OG1 3.26Å; T255-K259 WeakPolarHBondContact O-CE 3.3Å
256	F	90.6	Very high	93.9	Very high	72 Å²	72	63.3 Å²	63.3	32%	0.316	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-106.9	4.1	-174.5	-66.3	-74.5	0	0	0	113.2	L168 Y204 W206 S249 D253 A254	L168-F256 HydrophobicContact CD1-CD1 4.25Å; L168-F256 HydrophobicContact CD1-CE1 4.27Å; L168-F256 HydrophobicContact CD2-CD1 4.18Å; L168-F256 HydrophobicContact CD2-CE1 4.39Å; Y204-F256 HydrophobicContact CE2-CE1 4.38Å; W206-F256 HydrophobicContact CH2-CB 3.94Å; W206-F256 HydrophobicContact CH2-CD1 4.06Å; W206-F256 HydrophobicContact CH2-CG 4.49Å; W206-F256 WeakPolarHBondContact CH2-O 3.39Å; S249-F256 WeakPolarHBondContact CB-O 3.39Å; S249-F256 PolarHBondContact OG-O 2.91Å; D253-F256 HydrophobicContact CB-CD2 4.12Å; D253-F256 PolarHBondContact O-N 2.71Å; D253-F256 WeakPolarHBondContact OD2-CD2 3.28Å; A254-F256 PolarHBondContact O-N 3.26Å
257	H	92.3	Very high	93.9	Very high	76 Å²	76	60 Å²	60	35%	0.352	33%	0.327	S	S	.	.	S	Bend	trans	-90.1	149.5	179.5	-173.5	37.4	0	0	0	111.8	S249 F250 D253 A254 K259	S249-H257 PolarHBondContact O-ND1 3.31Å; F250-H257 AromaticContact CD2-CE1 3.67Å; D253-H257 PolarHBondContact O-N 3.5Å; A254-H257 PolarHBondContact O-N 3.05Å; H257-K259 VanDerWaalsContact C-N 3.28Å; H257-K259 WeakPolarHBondContact O-CD 3.39Å; H257-K259 VanDerWaalsContact O-CE 3.25Å; H257-K259 WeakPolarHBondContact O-CE 3.42Å; H257-K259 PolarHBondContact O-N 2.84Å
258	A	93	Very high	93.9	Very high	37 Å²	37	62 Å²	62	31%	0.306	34%	0.338	S	S	.	.	S	Bend	trans	55.7	40.9	175.5	0	0	0	0	0	112.8	S249	S249-A258 PolarHBondContact O-N 3.4Å; S249-A258 PolarHBondContact OG-N 2.98Å
259	K	93.6	Very high	93.9	Very high	28 Å²	28	58 Å²	58	12%	0.122	32%	0.32	C	S	.	.			trans	-99.7	147.6	179.2	-52.6	-53.7	-179.5	-163.8	0	111.2	L168 D169 C170 W206 E248 S249 T255 H257	L168-K259 HydrophobicContact CB-CD 4.29Å; L168-K259 HydrophobicContact CD2-CG 4.35Å; D169-K259 CarbonylContact O-C 3.56Å; D169-K259 VanDerWaalsContact O-CA 3.31Å; D169-K259 WeakPolarHBondContact O-CA 3.2Å; C170-K259 PolarHBondContact SG-NZ 3.12Å; C170-K259 VanDerWaalsContact SG-NZ 3.38Å; W206-K259 HydrophobicContact CH2-CB 4.31Å; W206-K259 HydrophobicContact CH2-CG 4.31Å; W206-K259 HydrophobicContact CZ2-CB 3.44Å; W206-K259 VanDerWaalsContact CZ2-CB 3.44Å; W206-K259 HydrophobicContact CZ2-CG 3.75Å; E248-K259 WeakPolarHBondContact CA-O 3.45Å; S249-K259 PolarHBondContact N-O 3.12Å; S249-K259 WeakPolarHBondContact OG-CA 3.15Å; S249-K259 VanDerWaalsContact OG-CB 3.29Å; S249-K259 WeakPolarHBondContact OG-CB 3.28Å; S249-K259 PolarHBondContact OG-N 2.66Å; T255-K259 WeakPolarHBondContact O-CE 3.3Å; H257-K259 VanDerWaalsContact C-N 3.28Å; H257-K259 WeakPolarHBondContact O-CD 3.39Å; H257-K259 VanDerWaalsContact O-CE 3.25Å; H257-K259 WeakPolarHBondContact O-CE 3.42Å; H257-K259 PolarHBondContact O-N 2.84Å
260	K	94.8	Very high	94	Very high	41 Å²	41	62.3 Å²	62.3	18%	0.178	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-106.8	174.5	-178	-56.9	-61.3	-69	-179.9	0	110.7	D169 A244 F247 E248	D169-K260 HydrophobicContact CB-CB 4.38Å; D169-K260 PolarHBondContact O-N 3.38Å; A244-K260 WeakPolarHBondContact O-CE 3.29Å; A244-K260 PolarHBondContact O-NZ 3.26Å; F247-K260 WeakPolarHBondContact O-CE 3.47Å; F247-K260 PolarHBondContact O-NZ 2.79Å; E248-K260 HydrophobicContact CB-CD 4.27Å; E248-K260 HydrophobicContact CG-CD 4.1Å
261	Q	94.4	Very high	94.2	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.019	32%	0.324	C	S	.	.			trans	-151	139.5	176.2	-174.8	175.8	-52.6	0	0	109.9	S198 W206 W214 V243 A244	S198-Q261 PolarHBondContact O-NE2 3.29Å; W206-Q261 VanDerWaalsContact CD1-OE1 3.32Å; W214-Q261 HydrophobicContact CE3-CB 3.85Å; W214-Q261 HydrophobicContact CZ3-CB 3.87Å; V243-Q261 HydrophobicContact CG1-CB 4Å; V243-Q261 HydrophobicContact CG1-CG 4.04Å; A244-Q261 WeakPolarHBondContact CA-O 3.42Å
262	I	96.2	Very high	94.6	Very high	67 Å²	67	60.1 Å²	60.1	34%	0.344	33%	0.334	S	S	.	.			trans	-126.2	121	168.9	-178.2	64.3	0	0	0	109.1	T199 A200 N240 A244	T199-I262 CarbonylContact C-O 3.59Å; T199-I262 WeakPolarHBondContact CA-O 3.46Å; A200-I262 HydrophobicContact CB-CG2 4.2Å; A200-I262 PolarHBondContact N-O 2.81Å; N240-I262 HydrophobicContact CB-CD1 3.96Å; A244-I262 HydrophobicContact CB-CD1 4.19Å
263	P	97.1	Very high	94.9	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.039	29%	0.291	C	S	.	.			trans	-67.7	160.3	172.5	-16.4	29.1	0	0	0	112.5	Y197 S198 F215 N240 V243	Y197-P263 WeakPolarHBondContact O-CB 3.5Å; S198-P263 WeakPolarHBondContact O-CA 3.49Å; F215-P263 HydrophobicContact CD2-CB 3.82Å; F215-P263 HydrophobicContact CD2-CG 3.79Å; F215-P263 HydrophobicContact CE2-CB 3.97Å; F215-P263 HydrophobicContact CE2-CG 4.37Å; N240-P263 WeakPolarHBondContact OD1-CB 3.49Å; V243-P263 HydrophobicContact CB-CG 3.76Å; V243-P263 HydrophobicContact CG1-CG 3.92Å; V243-P263 HydrophobicContact CG2-CG 3.76Å
264	C	95.7	Very high	95.2	Very high	29 Å²	29	50.9 Å²	50.9	20%	0.196	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	127	-175.4	176.7	0	0	0	0	110.7	Y197 T199	Y197-C264 PolarHBondContact N-O 2.89Å; Y197-C264 PolarHBondContact O-N 2.67Å; T199-C264 WeakPolarHBondContact O-CB 3.42Å
265	I	97.3	Very high	95.6	Very high	40 Å²	40	47.7 Å²	47.7	21%	0.205	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.4	-180	-51.4	162.6	0	0	0	108	M233 L236	M233-I265 HydrophobicContact CE-CB 4.48Å; M233-I265 HydrophobicContact CE-CG2 3.59Å; M233-I265 HydrophobicContact SD-CG2 3.65Å; L236-I265 HydrophobicContact CB-CD1 3.49Å; L236-I265 VanDerWaalsContact CB-CD1 3.49Å; L236-I265 HydrophobicContact CB-CG1 4Å; L236-I265 HydrophobicContact CD1-CG1 4.37Å; L236-I265 HydrophobicContact CD1-CG2 3.97Å
266	V	96.1	Very high	95.9	Very high	52 Å²	52	48.8 Å²	48.8	32%	0.315	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	107	174.6	-173.7	0	0	0	0	107.7	Y195 Y197 M268	Y195-V266 PolarHBondContact N-O 3.32Å; Y195-V266 PolarHBondContact O-N 3.09Å; Y197-V266 HydrophobicContact CD2-CG2 4.24Å; Y197-V266 HydrophobicContact CE2-CG2 4.15Å; V266-M268 HydrophobicContact CG1-CE 3.91Å; V266-M268 HydrophobicContact CG1-SD 3.83Å
267	S	96.4	Very high	95.9	Very high	52 Å²	52	54 Å²	54	36%	0.364	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.7	-176	-173.2	0	0	0	0	111.3	L269	S267-L269 WeakPolarHBondContact OG-CB 3.39Å; S267-L269 PolarHBondContact OG-N 3.25Å
268	M	96	Very high	96.1	Very high	72 Å²	72	53 Å²	53	36%	0.355	27%	0.27	S	S	.	.			trans	-117.6	19.5	165.7	-58.2	76	141.4	0	0	109.6	D192 F193 Y195 V266	D192-M268 PolarHBondContact N-O 2.78Å; F193-M268 CarbonylContact O-C 3.58Å; F193-M268 WeakPolarHBondContact O-CA 3.2Å; F193-M268 WeakPolarHBondContact O-CB 3.44Å; F193-M268 PolarHBondContact O-N 2.71Å; Y195-M268 HydrophobicContact CD2-CE 3.89Å; Y195-M268 HydrophobicContact CD2-SD 3.97Å; Y195-M268 HydrophobicContact CE2-CE 3.5Å; Y195-M268 VanDerWaalsContact CE2-CE 3.5Å; Y195-M268 HydrophobicContact CE2-SD 3.9Å; V266-M268 HydrophobicContact CG1-CE 3.91Å; V266-M268 HydrophobicContact CG1-SD 3.83Å
269	L	96.8	Very high	96.3	Very high	29 Å²	29	53.8 Å²	53.8	15%	0.152	27%	0.268	C	S	.	.			trans	-64	146.3	171.3	-61.5	-172.9	0	0	0	109.9	Y37 P155 F193 L194 S267 L273	Y37-L269 HydrophobicContact CE2-CB 4.07Å; Y37-L269 HydrophobicContact CE2-CD1 4.35Å; Y37-L269 HydrophobicContact CE2-CD2 4.04Å; Y37-L269 HydrophobicContact CE2-CG 4.37Å; Y37-L269 WeakPolarHBondContact OH-CA 3.4Å; P155-L269 HydrophobicContact CB-CD2 4.03Å; F193-L269 PolarHBondContact O-N 3.03Å; L194-L269 HydrophobicContact CB-CD1 4.15Å; L194-L269 HydrophobicContact CB-CD2 4.11Å; L194-L269 HydrophobicContact CB-CG 3.98Å; L194-L269 HydrophobicContact CD1-CD1 3.61Å; L194-L269 HydrophobicContact CD1-CG 4.14Å; S267-L269 WeakPolarHBondContact OG-CB 3.39Å; S267-L269 PolarHBondContact OG-N 3.25Å; L269-L273 HydrophobicContact CD1-CB 4.37Å; L269-L273 HydrophobicContact CD1-CD1 4.28Å
270	T	95.8	Very high	96.4	Very high	94 Å²	94	55.2 Å²	55.2	58%	0.577	28%	0.276	S	S	*	.	S	Bend	trans	-108.1	-7.7	-178.5	60.5	0	0	0	0	112.7	Y37 A191 D192	Y37-T270 PolarHBondContact OH-N 2.8Å; Y37-T270 PolarHBondContact OH-OG1 3.17Å; A191-T270 HydrophobicContact CB-CG2 4.49Å; D192-T270 PolarHBondContact OD1-OG1 2.92Å
271	K	97.9	Very high	96.5	Very high	61 Å²	61	56.1 Å²	56.1	27%	0.265	28%	0.282	S	S	.	.	S	Bend	trans	-143.1	161.2	-179.3	-64.7	-175.6	179.5	-176.2	0	110.7	D34 N35 Y37	D34-K271 VanDerWaalsContact O-CE 3.3Å; D34-K271 WeakPolarHBondContact O-CE 3.2Å; D34-K271 IonicContact OD1-NZ 3.67Å; D34-K271 PolarHBondContact OD1-NZ 3.3Å; D34-K271 IonicContact OD2-NZ 2.77Å; D34-K271 PolarHBondContact OD2-NZ 2.92Å; N35-K271 WeakPolarHBondContact O-CA 3.37Å; N35-K271 WeakPolarHBondContact O-CB 3.45Å; Y37-K271 HydrophobicContact CD1-CB 4.22Å; Y37-K271 HydrophobicContact CD1-CD 4.25Å; Y37-K271 HydrophobicContact CD2-CB 3.72Å; Y37-K271 HydrophobicContact CE1-CB 4.24Å; Y37-K271 HydrophobicContact CE1-CD 4.5Å; Y37-K271 HydrophobicContact CE2-CB 3.74Å; Y37-K271 WeakPolarHBondContact CE2-O 3.36Å; Y37-K271 HydrophobicContact CG-CB 3.98Å
272	E	98.7	Very high	96.7	Very high	91 Å²	91	59.3 Å²	59.3	43%	0.425	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-63.5	143.7	170	-67.2	174.2	172.4	0	0	110.6	N35 S36 Y37 E231 Y274	N35-E272 PolarHBondContact O-N 2.7Å; S36-E272 CarbonylContact C-O 3.55Å; S36-E272 VanDerWaalsContact CA-O 3.26Å; S36-E272 WeakPolarHBondContact CA-O 3.1Å; Y37-E272 WeakPolarHBondContact CD2-O 3.39Å; Y37-E272 PolarHBondContact N-O 3.18Å; E231-E272 HydrophobicContact CG-CB 3.78Å; E231-E272 HydrophobicContact CG-CG 4.15Å; E272-Y274 HydrophobicContact CB-CD2 4.37Å; E272-Y274 HydrophobicContact CB-CE2 3.73Å; E272-Y274 PolarHBondContact OE2-OH 3.06Å
273	L	98.8	Very high	96.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.295	C	S	.	.			trans	-118.8	115.5	179.3	-167.3	158.5	0	0	0	110.8	Y37 P155 L157 E231 F232 L269 F275	Y37-L273 HydrophobicContact CD2-CB 4.24Å; P155-L273 HydrophobicContact CB-CD1 3.38Å; P155-L273 HydrophobicContact CG-CD1 3.56Å; P155-L273 HydrophobicContact CG-CG 4.4Å; L157-L273 HydrophobicContact CD1-CD1 4.14Å; L157-L273 HydrophobicContact CD2-CD1 3.92Å; E231-L273 WeakPolarHBondContact CA-O 3.41Å; E231-L273 PolarHBondContact OE1-N 2.94Å; F232-L273 HydrophobicContact CB-CB 4.19Å; F232-L273 HydrophobicContact CB-CD2 3.89Å; F232-L273 HydrophobicContact CD1-CD2 4.44Å; F232-L273 HydrophobicContact CG-CD2 4.36Å; F232-L273 PolarHBondContact N-O 3.44Å; L269-L273 HydrophobicContact CD1-CB 4.37Å; L269-L273 HydrophobicContact CD1-CD1 4.28Å; L273-F275 HydrophobicContact CD2-CD1 4.11Å; L273-F275 HydrophobicContact CD2-CD2 4.35Å; L273-F275 HydrophobicContact CD2-CE1 3.81Å; L273-F275 HydrophobicContact CD2-CE2 4.07Å; L273-F275 HydrophobicContact CD2-CG 4.37Å; L273-F275 HydrophobicContact CD2-CZ 3.79Å
274	Y	98.7	Very high	96.7	Very high	56 Å²	56	62.6 Å²	62.6	22%	0.22	31%	0.313	C	S	.	.			trans	-113.7	137.5	171.4	-61	-86.5	0	0	0	109.4	M39 E231 E272 Y276	M39-Y274 WeakPolarHBondContact CG-O 3.36Å; E231-Y274 HydrophobicContact CB-CD1 4.12Å; E231-Y274 HydrophobicContact CB-CE1 3.52Å; E231-Y274 HydrophobicContact CB-CE2 4.38Å; E231-Y274 HydrophobicContact CG-CE1 4.15Å; E231-Y274 HydrophobicContact CG-CE2 4.13Å; E272-Y274 HydrophobicContact CB-CD2 4.37Å; E272-Y274 HydrophobicContact CB-CE2 3.73Å; E272-Y274 PolarHBondContact OE2-OH 3.06Å; Y274-Y276 VanDerWaalsContact C-N 3.29Å; Y274-Y276 AromaticContact CD1-CE1 3.59Å; Y274-Y276 HydrophobicContact CD1-CE1 3.59Å; Y274-Y276 HydrophobicContact CD1-CE2 4.45Å; Y274-Y276 AromaticContact CD1-CZ 3.52Å; Y274-Y276 WeakPolarHBondContact CD1-OH 3.46Å; Y274-Y276 HydrophobicContact CE1-CE1 4.5Å; Y274-Y276 WeakPolarHBondContact CE1-OH 3.36Å; Y274-Y276 HydrophobicContact CG-CE1 4.22Å
275	F	98.2	Very high	96.8	Very high	15 Å²	15	65.2 Å²	65.2	7%	0.066	32%	0.322	C	S	.	.	S	Bend	trans	-81.8	-10.9	176.9	-66.3	-73.8	0	0	0	113.1	M44 L81 Y83 L157 L223 A227 F232 L273	M44-F275 HydrophobicContact CE-CB 4.32Å; M44-F275 HydrophobicContact CE-CD1 3.9Å; L81-F275 HydrophobicContact CD1-CD1 4.42Å; L81-F275 HydrophobicContact CD1-CG 4.43Å; L81-F275 HydrophobicContact CD2-CB 4.26Å; Y83-F275 HydrophobicContact CE2-CD1 4.11Å; Y83-F275 HydrophobicContact CE2-CE1 4.14Å; L157-F275 HydrophobicContact CD1-CE1 4.32Å; L157-F275 HydrophobicContact CD1-CZ 4.25Å; L223-F275 HydrophobicContact CD2-CD2 4.26Å; L223-F275 HydrophobicContact CD2-CE2 3.68Å; L223-F275 HydrophobicContact CD2-CZ 4.32Å; A227-F275 HydrophobicContact CB-CB 4.43Å; A227-F275 HydrophobicContact CB-CD2 4.11Å; F232-F275 HydrophobicContact CB-CE2 4.15Å; F232-F275 HydrophobicContact CD1-CZ 4.38Å; F232-F275 AromaticContact CD2-CE2 3.53Å; F232-F275 HydrophobicContact CD2-CE2 3.53Å; F232-F275 AromaticContact CD2-CZ 3.88Å; F232-F275 HydrophobicContact CD2-CZ 3.88Å; F232-F275 HydrophobicContact CE2-CE2 4.05Å; F232-F275 HydrophobicContact CE2-CZ 4.08Å; F232-F275 AromaticContact CG-CE2 3.89Å; F232-F275 HydrophobicContact CG-CE2 3.89Å; F232-F275 HydrophobicContact CG-CZ 4.04Å; F232-F275 HydrophobicContact CZ-CZ 4.41Å; L273-F275 HydrophobicContact CD2-CD1 4.11Å; L273-F275 HydrophobicContact CD2-CD2 4.35Å; L273-F275 HydrophobicContact CD2-CE1 3.81Å; L273-F275 HydrophobicContact CD2-CE2 4.07Å; L273-F275 HydrophobicContact CD2-CG 4.37Å; L273-F275 HydrophobicContact CD2-CZ 3.79Å
276	Y	96.3	Very high	96.7	Very high	103 Å²	103	67.3 Å²	67.3	40%	0.404	33%	0.332	S	S	.	.			trans	-101.7	160.4	173.6	62.6	-91.2	0	0	0	111.1	A227 Y274	A227-Y276 WeakPolarHBondContact O-CD1 3.49Å; Y274-Y276 VanDerWaalsContact C-N 3.29Å; Y274-Y276 AromaticContact CD1-CE1 3.59Å; Y274-Y276 HydrophobicContact CD1-CE1 3.59Å; Y274-Y276 HydrophobicContact CD1-CE2 4.45Å; Y274-Y276 AromaticContact CD1-CZ 3.52Å; Y274-Y276 WeakPolarHBondContact CD1-OH 3.46Å; Y274-Y276 HydrophobicContact CE1-CE1 4.5Å; Y274-Y276 WeakPolarHBondContact CE1-OH 3.36Å; Y274-Y276 HydrophobicContact CG-CE1 4.22Å
277	H	91	Very high	96.8	Very high	182 Å²	182	68.6 Å²	68.6	84%	0.843	33%	0.334	S	S	*	.			trans	-146.5	0	173	58.6	-98.2	0	0	0	110.3	M39 D40	M39-H277 PolarHBondContact O-ND1 2.76Å; D40-H277 HydrophobicContact CB-CB 3.95Å

Retrieved 277 of 277 residues in 59.8 ms (Link to these results)

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