A0A077ZJF2_TRITR Loading...

Rho GDP-dissociation inhibitor 3

Inhibits GDP/GTP exchange reaction of RhoB. Interacts specifically with the GDP- and GTP-bound forms of post-translationally processed Rhob and Rhog proteins, both of which show a growth-regulated expression in mammalian cells. Stimulates the release of the GDP-bound but not the GTP-bound RhoB protein. Also inhibits the GDP/GTP exchange of RhoB but shows less ability to inhibit the dissociation of prebound GTP.

AlphaFold DB , UniProt , Accession A0A077ZJF2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 197 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	47.5	Very low	242 Å²	242	135 Å²	135	100%	1.192	72%	0.724	S	S	*	*				0	86.4	0	-82.2	168.5	171.1	0	0	105.5
2	E	37.9	Very low	49	Very low	194 Å²	194	130.8 Å²	130.8	91%	0.907	70%	0.701	S	S	*	*			trans	-103.4	96.6	164.4	-77.2	174.6	145.8	0	0	103.8	S4	E2-S4 PolarHBondContact O-N 3.3Å
3	D	36.4	Very low	49.6	Very low	148 Å²	148	127.1 Å²	127.1	79%	0.791	68%	0.677	S	S	*	*			trans	-65.7	97.4	161.7	-91.5	-46.8	0	0	0	106.1	D5	D3-D5 PolarHBondContact O-N 2.75Å
4	S	37.1	Very low	49.9	Very low	101 Å²	101	125.4 Å²	125.4	71%	0.706	68%	0.676	S	S	*	*			trans	-64.6	91.5	157.6	59.9	0	0	0	0	106	E2 L6	E2-S4 PolarHBondContact O-N 3.3Å; S4-L6 VanDerWaalsContact C-N 3.32Å; S4-L6 PolarHBondContact O-N 2.79Å
5	D	43.1	Very low	50.2	Low	141 Å²	141	125.3 Å²	125.3	75%	0.754	69%	0.685	S	S	*	*			trans	-54.5	102.1	170.8	-83	-35.4	0	0	0	107.3	D3 V7	D3-D5 PolarHBondContact O-N 2.75Å; D5-V7 PolarHBondContact O-N 3.12Å
6	L	38.1	Very low	50.6	Low	154 Å²	154	125.1 Å²	125.1	81%	0.806	68%	0.678	S	S	*	*			trans	-59.4	95.8	164.3	-94.5	139.3	0	0	0	105.6	S4 V8	S4-L6 VanDerWaalsContact C-N 3.32Å; S4-L6 PolarHBondContact O-N 2.79Å; L6-V8 HydrophobicContact CB-CG2 4.47Å; L6-V8 PolarHBondContact O-N 3.22Å
7	V	47.8	Very low	51.2	Low	81 Å²	81	124.8 Å²	124.8	49%	0.491	68%	0.676	S	S	.	*			trans	-66.9	90.2	165.4	-177.3	0	0	0	0	105.5	D5 T9 V131	D5-V7 PolarHBondContact O-N 3.12Å; V7-T9 PolarHBondContact O-N 3.29Å; V7-T9 VanDerWaalsContact O-N 3.08Å; V7-V131 HydrophobicContact CB-CG1 4.19Å; V7-V131 HydrophobicContact CG1-CG1 3.87Å; V7-V131 HydrophobicContact CG2-CG1 4.35Å
8	V	51.5	Low	52	Low	116 Å²	116	126.6 Å²	126.6	70%	0.703	69%	0.685	S	S	*	*			trans	-66.7	107.9	174.5	179.3	0	0	0	0	106.4	L6 Q10	L6-V8 HydrophobicContact CB-CG2 4.47Å; L6-V8 PolarHBondContact O-N 3.22Å; V8-Q10 PolarHBondContact O-N 3.02Å
9	T	58.1	Low	53.6	Low	72 Å²	72	124.2 Å²	124.2	44%	0.442	68%	0.678	S	S	.	*			trans	-60.3	118.9	168.1	47.1	0	0	0	0	108.1	V7 D11 Q132	V7-T9 PolarHBondContact O-N 3.29Å; V7-T9 VanDerWaalsContact O-N 3.08Å; T9-D11 PolarHBondContact O-N 2.82Å; T9-Q132 WeakPolarHBondContact CG2-O 3.24Å
10	Q	65.9	Low	55.2	Low	130 Å²	130	124.9 Å²	124.9	61%	0.607	67%	0.671	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76	103.9	169.2	-113.1	173.9	-13.7	0	0	108	V8 V133 S134 K135	V8-Q10 PolarHBondContact O-N 3.02Å; Q10-V133 PolarHBondContact N-O 3.03Å; Q10-S134 WeakPolarHBondContact O-CA 3.43Å; Q10-K135 PolarHBondContact O-N 3.3Å
11	D	68.4	Low	56.7	Low	106 Å²	106	129.6 Å²	129.6	57%	0.567	68%	0.68	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.7	104.7	157.7	-104.9	-28.5	0	0	0	106	T9 H13	T9-D11 PolarHBondContact O-N 2.82Å; D11-H13 PolarHBondContact O-N 3.1Å
12	N	65.3	Low	59.1	Low	84 Å²	84	120.4 Å²	120.4	45%	0.449	64%	0.642	S	S	.	*			trans	-79.9	-4.2	-174.5	-69.6	-35	0	0	0	113.5	D136	N12-D136 VanDerWaalsContact CB-OD1 3.26Å; N12-D136 WeakPolarHBondContact CB-OD1 3.45Å; N12-D136 PolarHBondContact ND2-OD1 3.22Å
13	H	57.7	Low	61.5	Low	83 Å²	83	114.8 Å²	114.8	38%	0.384	62%	0.623	S	S	.	*	S	Bend	trans	-106	140.7	175.5	-71.2	-64.4	0	0	0	111.6	D11 E137	D11-H13 PolarHBondContact O-N 3.1Å; H13-E137 PolarHBondContact CD2-N 2.65Å; H13-E137 VanDerWaalsContact CD2-N 3.31Å; H13-E137 PolarHBondContact CD2-O 2.98Å; H13-E137 PolarHBondContact NE2-O 2.73Å; H13-E137 VanDerWaalsContact NE2-O 3.16Å
14	P	52.8	Low	64	Low	103 Å²	103	111.9 Å²	111.9	67%	0.669	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-55.8	151	171.2	24.5	-31.8	0	0	0	109.8	H16	P14-H16 PolarHBondContact O-N 3.13Å
15	P	54.6	Low	66.4	Low	125 Å²	125	114 Å²	114	81%	0.812	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-49.8	130.1	179.5	19.1	-30.5	0	0	0	109.8	D17	P15-D17 PolarHBondContact O-N 2.92Å
16	H	57	Low	68.7	Low	121 Å²	121	113 Å²	113	56%	0.56	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-48.4	131.6	177.6	-97	-83	0	0	0	109	P14 D18 E137	P14-H16 PolarHBondContact O-N 3.13Å; H16-D18 VanDerWaalsContact C-N 3.25Å; H16-D18 PolarHBondContact O-N 3.08Å; H16-E137 IonicContact CE1-OE2 3.76Å; H16-E137 IonicContact NE2-OE2 2.69Å; H16-E137 PolarHBondContact NE2-OE2 2.89Å; H16-E137 VanDerWaalsContact NE2-OE2 3.09Å
17	D	60	Low	71.4	Confident	121 Å²	121	107.1 Å²	107.1	65%	0.647	58%	0.579	S	S	*	*			trans	-68	93.2	167	-175.1	-8.1	0	0	0	107.2	P15 S19 Y20	P15-D17 PolarHBondContact O-N 2.92Å; D17-S19 PolarHBondContact O-N 3.18Å; D17-S19 WeakPolarHBondContact OD1-CB 3.21Å; D17-S19 PolarHBondContact OD1-N 2.66Å; D17-S19 PolarHBondContact OD1-OG 2.93Å; D17-S19 PolarHBondContact OD2-OG 3.19Å; D17-Y20 PolarHBondContact O-N 3.02Å
18	D	65.7	Low	73.6	Confident	157 Å²	157	103.4 Å²	103.4	84%	0.84	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-1	-179.3	-80.2	-23.6	0	0	0	113.3	H16	H16-D18 VanDerWaalsContact C-N 3.25Å; H16-D18 PolarHBondContact O-N 3.08Å
19	S	83.5	Confident	75.6	Confident	80 Å²	80	103.9 Å²	103.9	56%	0.559	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-21.3	175.7	73	0	0	0	0	114.2	D17 R21	D17-S19 PolarHBondContact O-N 3.18Å; D17-S19 WeakPolarHBondContact OD1-CB 3.21Å; D17-S19 PolarHBondContact OD1-N 2.66Å; D17-S19 PolarHBondContact OD1-OG 2.93Å; D17-S19 PolarHBondContact OD2-OG 3.19Å; S19-R21 PolarHBondContact O-N 2.93Å
20	Y	85.6	Confident	77.4	Confident	138 Å²	138	105.1 Å²	105.1	54%	0.541	55%	0.549	S	S	.	.			trans	-65.7	130.9	-179.9	178.8	-104.2	0	0	0	111.4	D17 D178	D17-Y20 PolarHBondContact O-N 3.02Å; Y20-D178 WeakPolarHBondContact CE1-OD2 3.41Å; Y20-D178 PolarHBondContact OH-OD2 3.3Å
21	R	86.9	Confident	78.7	Confident	225 Å²	225	100.9 Å²	100.9	85%	0.849	53%	0.531	S	S	*	.			trans	-119.9	123.8	173.9	-64.7	-177.1	-177	-179.9	0.9	108.7	S19	S19-R21 PolarHBondContact O-N 2.93Å
22	A	87.8	Confident	79.8	Confident	49 Å²	49	97.8 Å²	97.8	41%	0.405	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-51.9	139.7	174.4	0	0	0	0	0	110.7	D178	A22-D178 HydrophobicContact CB-CB 3.82Å
23	P	88.5	Confident	81.2	Confident	76 Å²	76	98 Å²	98	49%	0.494	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-64.5	157.3	177.4	28.9	-35.1	0	0	0	110.9	Q25 A118	P23-Q25 PolarHBondContact O-N 2.89Å; P23-A118 HydrophobicContact CG-CB 4.33Å
24	A	88.1	Confident	82.8	Confident	87 Å²	87	97.1 Å²	97.1	72%	0.719	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-63.5	134.2	170.6	0	0	0	0	0	110.1	K26	A24-K26 PolarHBondContact O-N 3.46Å
25	Q	87.5	Confident	84.7	Confident	145 Å²	145	96.6 Å²	96.6	68%	0.678	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-60	130.8	175.6	-74.2	-173.9	-26.8	0	0	110.6	P23 D179	P23-Q25 PolarHBondContact O-N 2.89Å; Q25-D179 PolarHBondContact NE2-OD1 2.59Å; Q25-D179 PolarHBondContact NE2-OD2 2.72Å
26	K	92	Very high	86.4	Confident	119 Å²	119	98.1 Å²	98.1	52%	0.517	49%	0.491	S	S	.	.			trans	-137.1	135.8	169.2	-70.8	-174.5	177.1	-177.3	0	108	A24 I31 I34	A24-K26 PolarHBondContact O-N 3.46Å; K26-I31 HydrophobicContact CB-CD1 4.17Å; K26-I31 HydrophobicContact CB-CG1 3.97Å; K26-I34 HydrophobicContact CD-CD1 4.22Å
27	S	94.8	Very high	88.1	Confident	32 Å²	32	100 Å²	100	22%	0.224	51%	0.505	C	S	.	.			trans	-68.7	156	174.4	62.5	0	0	0	0	111.3	K29 E30 I31 E115	S27-K29 PolarHBondContact O-N 2.82Å; S27-E30 PolarHBondContact N-OE2 3.27Å; S27-E30 PolarHBondContact O-N 2.89Å; S27-E30 WeakPolarHBondContact OG-CB 3.38Å; S27-E30 VanDerWaalsContact OG-CD 3.24Å; S27-E30 WeakPolarHBondContact OG-CG 3.46Å; S27-E30 PolarHBondContact OG-N 2.92Å; S27-E30 PolarHBondContact OG-OE2 3.06Å; S27-I31 WeakPolarHBondContact O-CG1 3.1Å; S27-I31 PolarHBondContact O-N 2.93Å; S27-E115 WeakPolarHBondContact CA-OE2 3.35Å
28	V	94.2	Very high	89.8	Confident	2 Å²	2	97 Å²	97	1%	0.012	49%	0.489	C	S	.	.	H	α-helix	trans	-52.3	-43.2	171.5	169.8	0	0	0	0	110.5	I31 L32 V53 D54 E115 I116 P145	V28-I31 PolarHBondContact O-N 2.87Å; V28-L32 HydrophobicContact CG1-CD1 4.08Å; V28-L32 HydrophobicContact CG1-CG 4.48Å; V28-L32 WeakPolarHBondContact O-CG 3.31Å; V28-L32 PolarHBondContact O-N 2.67Å; V28-V53 HydrophobicContact CG1-CB 4.28Å; V28-V53 HydrophobicContact CG1-CG1 3.52Å; V28-V53 HydrophobicContact CG1-CG2 4.05Å; V28-D54 HydrophobicContact CG1-CB 3.96Å; V28-E115 PolarHBondContact N-OE2 2.83Å; V28-I116 HydrophobicContact CG2-CD1 4.1Å; V28-I116 HydrophobicContact CG2-CG1 3.85Å; V28-P145 HydrophobicContact CG2-CG 4.33Å
29	K	94.2	Very high	91.2	Very high	127 Å²	127	94.5 Å²	94.5	55%	0.552	48%	0.481	S	S	*	.	H	α-helix	trans	-60.9	-48.7	179.2	-174.3	-178.8	174.8	-174.7	0	112.2	S27 I31 L32 E33	S27-K29 PolarHBondContact O-N 2.82Å; K29-I31 VanDerWaalsContact C-N 3.29Å; K29-I31 PolarHBondContact O-N 2.73Å; K29-L32 PolarHBondContact O-N 2.9Å; K29-E33 WeakPolarHBondContact CE-OE1 3.27Å; K29-E33 WeakPolarHBondContact O-CG 3.49Å; K29-E33 PolarHBondContact O-N 2.96Å
30	E	94.3	Very high	91.8	Very high	97 Å²	97	94.5 Å²	94.5	45%	0.453	48%	0.481	S	S	.	.	H	α-helix	trans	-61.2	-40.3	177.4	-72.6	163	148.6	0	0	111.3	S27 L32 E33 I34	S27-E30 PolarHBondContact N-OE2 3.27Å; S27-E30 PolarHBondContact O-N 2.89Å; S27-E30 WeakPolarHBondContact OG-CB 3.38Å; S27-E30 VanDerWaalsContact OG-CD 3.24Å; S27-E30 WeakPolarHBondContact OG-CG 3.46Å; S27-E30 PolarHBondContact OG-N 2.92Å; S27-E30 PolarHBondContact OG-OE2 3.06Å; E30-L32 VanDerWaalsContact C-N 3.3Å; E30-L32 PolarHBondContact O-N 3.34Å; E30-E33 PolarHBondContact O-N 2.89Å; E30-I34 WeakPolarHBondContact O-CD1 3.35Å; E30-I34 VanDerWaalsContact O-CG1 3.27Å; E30-I34 WeakPolarHBondContact O-CG1 3.25Å; E30-I34 PolarHBondContact O-N 2.84Å; E30-I34 VanDerWaalsContact O-N 3.08Å
31	I	93.4	Very high	92.2	Very high	41 Å²	41	90.6 Å²	90.6	21%	0.21	47%	0.469	C	S	.	.	H	α-helix	trans	-61.5	-40.3	176.9	-69.4	164.9	0	0	0	110.9	K26 S27 V28 K29 K45 L49 I116	K26-I31 HydrophobicContact CB-CD1 4.17Å; K26-I31 HydrophobicContact CB-CG1 3.97Å; S27-I31 WeakPolarHBondContact O-CG1 3.1Å; S27-I31 PolarHBondContact O-N 2.93Å; V28-I31 PolarHBondContact O-N 2.87Å; K29-I31 VanDerWaalsContact C-N 3.29Å; K29-I31 PolarHBondContact O-N 2.73Å; I31-K45 HydrophobicContact CG2-CD 4.46Å; I31-K45 WeakPolarHBondContact O-CE 3.26Å; I31-K45 PolarHBondContact O-NZ 2.8Å; I31-L49 HydrophobicContact CG2-CD1 4.01Å; I31-I116 HydrophobicContact CD1-CD1 3.56Å
32	L	92.5	Very high	92.5	Very high	41 Å²	41	82.6 Å²	82.6	22%	0.215	44%	0.441	C	S	.	.	H	α-helix	trans	-70.8	-32.4	177.5	-66.8	174	0	0	0	113	V28 K29 E30 Q42 L49 V53 D54	V28-L32 HydrophobicContact CG1-CD1 4.08Å; V28-L32 HydrophobicContact CG1-CG 4.48Å; V28-L32 WeakPolarHBondContact O-CG 3.31Å; V28-L32 PolarHBondContact O-N 2.67Å; K29-L32 PolarHBondContact O-N 2.9Å; E30-L32 VanDerWaalsContact C-N 3.3Å; E30-L32 PolarHBondContact O-N 3.34Å; L32-Q42 PolarHBondContact O-NE2 3.26Å; L32-L49 HydrophobicContact CD2-CD1 4.29Å; L32-V53 HydrophobicContact CD1-CG1 3.98Å; L32-V53 HydrophobicContact CD2-CG1 4.29Å; L32-V53 HydrophobicContact CG-CG1 4.47Å; L32-D54 HydrophobicContact CD1-CB 4.06Å
33	E	93.2	Very high	92.9	Very high	89 Å²	89	87.9 Å²	87.9	42%	0.416	46%	0.455	S	S	.	.	H	α-helix	trans	-76.6	-30.1	-179	-75.8	177.1	170.7	0	0	113.9	K29 E30	K29-E33 WeakPolarHBondContact CE-OE1 3.27Å; K29-E33 WeakPolarHBondContact O-CG 3.49Å; K29-E33 PolarHBondContact O-N 2.96Å; E30-E33 PolarHBondContact O-N 2.89Å
34	I	93	Very high	93.2	Very high	64 Å²	64	91.2 Å²	91.2	33%	0.328	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	137.1	174.4	-71.5	162.8	0	0	0	109.8	K26 E30 R36 K45	K26-I34 HydrophobicContact CD-CD1 4.22Å; E30-I34 WeakPolarHBondContact O-CD1 3.35Å; E30-I34 VanDerWaalsContact O-CG1 3.27Å; E30-I34 WeakPolarHBondContact O-CG1 3.25Å; E30-I34 PolarHBondContact O-N 2.84Å; E30-I34 VanDerWaalsContact O-N 3.08Å; I34-R36 PolarHBondContact O-N 2.81Å; I34-R36 VanDerWaalsContact O-N 3.13Å; I34-K45 PolarHBondContact O-NZ 2.79Å
35	D	91.5	Very high	93.5	Very high	92 Å²	92	88 Å²	88	49%	0.492	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	40.8	176.2	-48.6	-40.7	0	0	0	113.7	D37 D38 L41 Q42	D35-D37 PolarHBondContact O-N 2.79Å; D35-D38 HydrophobicContact CB-CB 4.32Å; D35-D38 PolarHBondContact O-N 2.78Å; D35-D38 VanDerWaalsContact O-N 3.14Å; D35-L41 HydrophobicContact CB-CB 4.42Å; D35-L41 HydrophobicContact CB-CD1 3.56Å; D35-L41 WeakPolarHBondContact OD2-CD1 3.36Å; D35-Q42 PolarHBondContact O-NE2 3.2Å
36	R	90.5	Very high	93.8	Very high	158 Å²	158	85.7 Å²	85.7	60%	0.596	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.3	179.3	-174	176.7	-86.1	164.2	-5.3	112.8	I34 D38	I34-R36 PolarHBondContact O-N 2.81Å; I34-R36 VanDerWaalsContact O-N 3.13Å; R36-D38 VanDerWaalsContact C-N 3.31Å; R36-D38 PolarHBondContact O-N 2.76Å
37	D	93.3	Very high	93.9	Very high	160 Å²	160	84 Å²	84	86%	0.856	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-1.3	-176.8	-54.9	-38	0	0	0	113.5	D35 P39	D35-D37 PolarHBondContact O-N 2.79Å; D37-P39 WeakPolarHBondContact O-CD 3.18Å
38	D	96.1	Very high	93.9	Very high	58 Å²	58	87.3 Å²	87.3	31%	0.31	44%	0.441	S	S	.	.			trans	-101.5	105.5	177.4	-173	-33	0	0	0	111.4	D35 R36 S40 L41 Q42	D35-D38 HydrophobicContact CB-CB 4.32Å; D35-D38 PolarHBondContact O-N 2.78Å; D35-D38 VanDerWaalsContact O-N 3.14Å; R36-D38 VanDerWaalsContact C-N 3.31Å; R36-D38 PolarHBondContact O-N 2.76Å; D38-S40 PolarHBondContact O-N 2.92Å; D38-S40 WeakPolarHBondContact OD1-CA 3.38Å; D38-S40 WeakPolarHBondContact OD1-CB 3.02Å; D38-S40 PolarHBondContact OD1-N 2.84Å; D38-S40 PolarHBondContact OD1-OG 3.14Å; D38-L41 HydrophobicContact CB-CB 4.11Å; D38-L41 HydrophobicContact CB-CD1 4.07Å; D38-L41 HydrophobicContact CB-CG 4.22Å; D38-L41 PolarHBondContact O-N 2.63Å; D38-L41 PolarHBondContact OD1-N 3.01Å; D38-Q42 WeakPolarHBondContact O-CG 3.44Å; D38-Q42 PolarHBondContact O-N 2.87Å
39	P	94.3	Very high	93.9	Very high	105 Å²	105	88.4 Å²	88.4	68%	0.682	45%	0.447	S	S	*	.	H	α-helix	trans	-62.1	-28.7	-178.7	-23	34.4	0	0	0	114	D37 K43	D37-P39 WeakPolarHBondContact O-CD 3.18Å; P39-K43 WeakPolarHBondContact O-CB 3.48Å; P39-K43 PolarHBondContact O-N 3.18Å
40	S	96	Very high	93.8	Very high	79 Å²	79	84 Å²	84	55%	0.552	44%	0.438	S	S	*	.	H	α-helix	trans	-72.7	-42.8	-178.9	75.3	0	0	0	0	111	D38 K43 Y44	D38-S40 PolarHBondContact O-N 2.92Å; D38-S40 WeakPolarHBondContact OD1-CA 3.38Å; D38-S40 WeakPolarHBondContact OD1-CB 3.02Å; D38-S40 PolarHBondContact OD1-N 2.84Å; D38-S40 PolarHBondContact OD1-OG 3.14Å; S40-K43 PolarHBondContact O-N 3.44Å; S40-Y44 WeakPolarHBondContact O-CB 3.43Å; S40-Y44 PolarHBondContact O-N 2.8Å
41	L	94.8	Very high	93.5	Very high	57 Å²	57	86.6 Å²	86.6	30%	0.298	45%	0.448	S	S	.	.	H	α-helix	trans	-70.2	-35.4	175.9	-67.9	177.9	0	0	0	111.7	D35 D38 Y44 K45	D35-L41 HydrophobicContact CB-CB 4.42Å; D35-L41 HydrophobicContact CB-CD1 3.56Å; D35-L41 WeakPolarHBondContact OD2-CD1 3.36Å; D38-L41 HydrophobicContact CB-CB 4.11Å; D38-L41 HydrophobicContact CB-CD1 4.07Å; D38-L41 HydrophobicContact CB-CG 4.22Å; D38-L41 PolarHBondContact O-N 2.63Å; D38-L41 PolarHBondContact OD1-N 3.01Å; L41-Y44 PolarHBondContact O-N 2.79Å; L41-K45 VanDerWaalsContact O-CG 3.31Å; L41-K45 WeakPolarHBondContact O-CG 3.49Å; L41-K45 PolarHBondContact O-N 2.97Å
42	Q	93.5	Very high	93.4	Very high	56 Å²	56	90.3 Å²	90.3	26%	0.262	47%	0.468	S	S	.	.	H	α-helix	trans	-61.3	-47.4	172.2	-69.6	-59.1	-44.8	0	0	111.6	L32 D35 D38 Y44 K45 E46	L32-Q42 PolarHBondContact O-NE2 3.26Å; D35-Q42 PolarHBondContact O-NE2 3.2Å; D38-Q42 WeakPolarHBondContact O-CG 3.44Å; D38-Q42 PolarHBondContact O-N 2.87Å; Q42-Y44 VanDerWaalsContact C-N 3.31Å; Q42-Y44 PolarHBondContact O-N 2.89Å; Q42-K45 PolarHBondContact O-N 2.61Å; Q42-E46 PolarHBondContact O-N 3.1Å
43	K	94.6	Very high	93.4	Very high	160 Å²	160	88.4 Å²	88.4	70%	0.696	46%	0.458	S	S	*	.	H	α-helix	trans	-62.6	-37.8	176.5	-171.9	175.5	-179.3	179.2	0	112.4	P39 S40 A47	P39-K43 WeakPolarHBondContact O-CB 3.48Å; P39-K43 PolarHBondContact O-N 3.18Å; S40-K43 PolarHBondContact O-N 3.44Å; K43-A47 WeakPolarHBondContact O-CB 3.43Å; K43-A47 PolarHBondContact O-N 2.86Å
44	Y	95	Very high	93.4	Very high	146 Å²	146	88.9 Å²	88.9	57%	0.573	46%	0.463	S	S	*	.	H	α-helix	trans	-63.1	-46.1	175.4	176.3	-106	0	0	0	112	S40 L41 Q42 A47 L48	S40-Y44 WeakPolarHBondContact O-CB 3.43Å; S40-Y44 PolarHBondContact O-N 2.8Å; L41-Y44 PolarHBondContact O-N 2.79Å; Q42-Y44 VanDerWaalsContact C-N 3.31Å; Q42-Y44 PolarHBondContact O-N 2.89Å; Y44-A47 PolarHBondContact O-N 2.77Å; Y44-L48 HydrophobicContact CD1-CD1 4.14Å; Y44-L48 HydrophobicContact CD2-CD1 4.48Å; Y44-L48 HydrophobicContact CE1-CD1 3.49Å; Y44-L48 VanDerWaalsContact CE1-CD1 3.49Å; Y44-L48 HydrophobicContact CE2-CD1 3.88Å; Y44-L48 HydrophobicContact CE2-CG 4.35Å; Y44-L48 PolarHBondContact O-N 3.38Å; Y44-L48 VanDerWaalsContact O-N 3.16Å; Y44-L48 WeakPolarHBondContact OH-CD1 3.44Å
45	K	94.8	Very high	93.5	Very high	21 Å²	21	89.5 Å²	89.5	9%	0.091	47%	0.473	C	S	.	.	H	α-helix	trans	-62.3	-45.2	176.6	-71	170.9	-168	-177.4	0	111.8	I31 I34 L41 Q42 A47 L48 L49	I31-K45 HydrophobicContact CG2-CD 4.46Å; I31-K45 WeakPolarHBondContact O-CE 3.26Å; I31-K45 PolarHBondContact O-NZ 2.8Å; I34-K45 PolarHBondContact O-NZ 2.79Å; L41-K45 VanDerWaalsContact O-CG 3.31Å; L41-K45 WeakPolarHBondContact O-CG 3.49Å; L41-K45 PolarHBondContact O-N 2.97Å; Q42-K45 PolarHBondContact O-N 2.61Å; K45-A47 VanDerWaalsContact C-N 3.29Å; K45-A47 PolarHBondContact O-N 2.94Å; K45-L48 PolarHBondContact O-N 2.85Å; K45-L49 HydrophobicContact CB-CD1 4.43Å; K45-L49 VanDerWaalsContact O-CB 3.28Å; K45-L49 WeakPolarHBondContact O-CB 3.49Å; K45-L49 WeakPolarHBondContact O-CG 3.45Å; K45-L49 PolarHBondContact O-N 2.48Å
46	E	93.3	Very high	93.7	Very high	95 Å²	95	85.8 Å²	85.8	44%	0.444	45%	0.453	S	S	.	.	H	α-helix	trans	-61.4	-38.8	177.6	-169.5	-174.7	143.2	0	0	111.9	Q42 L48 G50 K51	Q42-E46 PolarHBondContact O-N 3.1Å; E46-L48 VanDerWaalsContact C-N 3.32Å; E46-L48 PolarHBondContact O-N 3.04Å; E46-G50 WeakPolarHBondContact O-CA 3.45Å; E46-G50 PolarHBondContact O-N 3.01Å; E46-K51 HydrophobicContact CG-CG 3.86Å; E46-K51 WeakPolarHBondContact OE1-CE 3.41Å; E46-K51 WeakPolarHBondContact OE1-CG 3.31Å; E46-K51 IonicContact OE1-NZ 3.87Å
47	A	94.5	Very high	94	Very high	85 Å²	85	82.4 Å²	82.4	70%	0.702	45%	0.446	S	S	*	.	H	α-helix	trans	-65.7	-33.4	177.2	0	0	0	0	0	113	K43 Y44 K45	K43-A47 WeakPolarHBondContact O-CB 3.43Å; K43-A47 PolarHBondContact O-N 2.86Å; Y44-A47 PolarHBondContact O-N 2.77Å; K45-A47 VanDerWaalsContact C-N 3.29Å; K45-A47 PolarHBondContact O-N 2.94Å
48	L	94.1	Very high	94.2	Very high	100 Å²	100	77 Å²	77	52%	0.524	42%	0.419	S	S	.	.	H	α-helix	trans	-86	-45.6	179.9	-70.9	-179.1	0	0	0	113.5	Y44 K45 E46	Y44-L48 HydrophobicContact CD1-CD1 4.14Å; Y44-L48 HydrophobicContact CD2-CD1 4.48Å; Y44-L48 HydrophobicContact CE1-CD1 3.49Å; Y44-L48 VanDerWaalsContact CE1-CD1 3.49Å; Y44-L48 HydrophobicContact CE2-CD1 3.88Å; Y44-L48 HydrophobicContact CE2-CG 4.35Å; Y44-L48 PolarHBondContact O-N 3.38Å; Y44-L48 VanDerWaalsContact O-N 3.16Å; Y44-L48 WeakPolarHBondContact OH-CD1 3.44Å; K45-L48 PolarHBondContact O-N 2.85Å; E46-L48 VanDerWaalsContact C-N 3.32Å; E46-L48 PolarHBondContact O-N 3.04Å
49	L	94.4	Very high	94.2	Very high	25 Å²	25	76.4 Å²	76.4	13%	0.131	42%	0.416	C	S	.	.	H	α-helix	trans	-93.3	-18.5	-170.9	-56.6	-178.6	0	0	0	112.4	I31 L32 K45 V53 I116 P144	I31-L49 HydrophobicContact CG2-CD1 4.01Å; L32-L49 HydrophobicContact CD2-CD1 4.29Å; K45-L49 HydrophobicContact CB-CD1 4.43Å; K45-L49 VanDerWaalsContact O-CB 3.28Å; K45-L49 WeakPolarHBondContact O-CB 3.49Å; K45-L49 WeakPolarHBondContact O-CG 3.45Å; K45-L49 PolarHBondContact O-N 2.48Å; L49-V53 HydrophobicContact CB-CB 4.09Å; L49-V53 HydrophobicContact CB-CG1 3.89Å; L49-V53 HydrophobicContact CB-CG2 4.11Å; L49-V53 HydrophobicContact CD1-CG1 4.27Å; L49-I116 HydrophobicContact CD1-CD1 4.43Å; L49-I116 HydrophobicContact CD2-CD1 3.55Å; L49-I116 HydrophobicContact CD2-CG1 4.06Å; L49-P144 HydrophobicContact CD2-CB 3.77Å; L49-P144 HydrophobicContact CD2-CG 4.45Å
50	G	92.2	Very high	94.3	Very high	35 Å²	35	76.2 Å²	76.2	36%	0.361	41%	0.414	S	S	.	.			trans	79	176.6	-168.5	0	0	0	0	0	112.6	E46	E46-G50 WeakPolarHBondContact O-CA 3.45Å; E46-G50 PolarHBondContact O-N 3.01Å
51	K	88.9	Confident	94.4	Very high	152 Å²	152	78.2 Å²	78.2	66%	0.661	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	144.3	175.6	-68.7	-178.2	176.2	-179.7	0	110.6	E46 V53	E46-K51 HydrophobicContact CG-CG 3.86Å; E46-K51 WeakPolarHBondContact OE1-CE 3.41Å; E46-K51 WeakPolarHBondContact OE1-CG 3.31Å; E46-K51 IonicContact OE1-NZ 3.87Å; K51-V53 PolarHBondContact O-N 3.12Å
52	N	90.1	Very high	94.4	Very high	118 Å²	118	77.2 Å²	77.2	63%	0.631	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	32.2	175	-49.6	-34.1	0	0	0	113.7	D54 S55	N52-D54 PolarHBondContact O-N 2.8Å; N52-D54 VanDerWaalsContact O-N 3.16Å; N52-S55 WeakPolarHBondContact CB-OG 3.41Å; N52-S55 PolarHBondContact O-N 3.01Å; N52-S55 PolarHBondContact O-OG 2.85Å
53	V	94.2	Very high	94.5	Very high	2 Å²	2	79.8 Å²	79.8	1%	0.012	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-56	-30.8	-177.5	58.7	0	0	0	0	113	V28 L32 L49 K51 S55 I56 P144 P145	V28-V53 HydrophobicContact CG1-CB 4.28Å; V28-V53 HydrophobicContact CG1-CG1 3.52Å; V28-V53 HydrophobicContact CG1-CG2 4.05Å; L32-V53 HydrophobicContact CD1-CG1 3.98Å; L32-V53 HydrophobicContact CD2-CG1 4.29Å; L32-V53 HydrophobicContact CG-CG1 4.47Å; L49-V53 HydrophobicContact CB-CB 4.09Å; L49-V53 HydrophobicContact CB-CG1 3.89Å; L49-V53 HydrophobicContact CB-CG2 4.11Å; L49-V53 HydrophobicContact CD1-CG1 4.27Å; K51-V53 PolarHBondContact O-N 3.12Å; V53-S55 PolarHBondContact O-N 2.95Å; V53-I56 PolarHBondContact O-N 3.37Å; V53-P144 HydrophobicContact CG2-CB 4.32Å; V53-P145 HydrophobicContact CG2-CB 4.04Å; V53-P145 HydrophobicContact CG2-CG 4.04Å
54	D	92.3	Very high	94.6	Very high	99 Å²	99	76.2 Å²	76.2	53%	0.529	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-72.1	-10	178.4	62.5	-32.7	0	0	0	114.1	V28 L32 N52	V28-D54 HydrophobicContact CG1-CB 3.96Å; L32-D54 HydrophobicContact CD1-CB 4.06Å; N52-D54 PolarHBondContact O-N 2.8Å; N52-D54 VanDerWaalsContact O-N 3.16Å
55	S	94.4	Very high	94.8	Very high	76 Å²	76	71 Å²	71	53%	0.531	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-106.6	-1.3	179.5	71	0	0	0	0	114.2	N52 V53 I57	N52-S55 WeakPolarHBondContact CB-OG 3.41Å; N52-S55 PolarHBondContact O-N 3.01Å; N52-S55 PolarHBondContact O-OG 2.85Å; V53-S55 PolarHBondContact O-N 2.95Å; S55-I57 PolarHBondContact O-N 3.13Å
56	I	96.9	Very high	94.9	Very high	14 Å²	14	70.1 Å²	70.1	7%	0.072	41%	0.406	C	S	.	.			trans	-76.4	111.7	-173.3	-58.2	-63.9	0	0	0	111.1	V53 V58 R114 P145 R146	V53-I56 PolarHBondContact O-N 3.37Å; I56-V58 HydrophobicContact CG2-CG2 4.32Å; I56-R114 PolarHBondContact O-N 2.82Å; I56-P145 HydrophobicContact CB-CB 3.65Å; I56-P145 HydrophobicContact CG1-CB 4.19Å; I56-P145 HydrophobicContact CG2-CB 3.9Å; I56-R146 VanDerWaalsContact CG2-C 3.47Å
57	I	97.2	Very high	95.2	Very high	88 Å²	88	66.1 Å²	66.1	45%	0.451	39%	0.388	S	S	.	.			trans	-134.2	110.1	171.1	-56	179.1	0	0	0	107.9	S55 P60 R114	S55-I57 PolarHBondContact O-N 3.13Å; I57-P60 HydrophobicContact CG2-CB 4.17Å; I57-P60 HydrophobicContact CG2-CG 3.91Å; I57-R114 HydrophobicContact CG1-CG 4.35Å
58	V	96.9	Very high	95.4	Very high	46 Å²	46	62.4 Å²	62.4	28%	0.279	36%	0.357	S	S	.	.	S	Bend	trans	-85.7	-35.6	-179	-177.2	0	0	0	0	111.2	I56 N111	I56-V58 HydrophobicContact CG2-CG2 4.32Å; V58-N111 HydrophobicContact CB-CB 4.47Å; V58-N111 HydrophobicContact CG1-CB 4.38Å; V58-N111 HydrophobicContact CG2-CB 4.32Å
59	D	96.6	Very high	95.5	Very high	46 Å²	46	60.3 Å²	60.3	25%	0.246	34%	0.342	C	S	.	.			trans	-137	100.2	176.3	-176.1	-13.3	0	0	0	109.4	C61 N62 I67 Q113 R114	D59-C61 PolarHBondContact O-N 3.17Å; D59-C61 WeakPolarHBondContact OD1-CA 3.24Å; D59-C61 WeakPolarHBondContact OD1-CB 3.34Å; D59-C61 PolarHBondContact OD1-N 3.16Å; D59-N62 HydrophobicContact CB-CB 4Å; D59-N62 PolarHBondContact O-N 3.4Å; D59-N62 PolarHBondContact OD1-N 2.8Å; D59-N62 WeakPolarHBondContact OD2-CB 3.23Å; D59-I67 HydrophobicContact CB-CD1 3.57Å; D59-Q113 PolarHBondContact O-NE2 3Å; D59-Q113 PolarHBondContact O-OE1 2.97Å; D59-R114 PolarHBondContact O-NH2 2.76Å
60	P	96.4	Very high	95.7	Very high	101 Å²	101	61 Å²	61	66%	0.656	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.5	178.7	-22.6	33.6	0	0	0	113.8	I57	I57-P60 HydrophobicContact CG2-CB 4.17Å; I57-P60 HydrophobicContact CG2-CG 3.91Å
61	C	96.3	Very high	96	Very high	121 Å²	121	59.3 Å²	59.3	82%	0.818	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-22.7	-179.3	-65.4	0	0	0	0	112.2	D59 P63	D59-C61 PolarHBondContact O-N 3.17Å; D59-C61 WeakPolarHBondContact OD1-CA 3.24Å; D59-C61 WeakPolarHBondContact OD1-CB 3.34Å; D59-C61 PolarHBondContact OD1-N 3.16Å; C61-P63 WeakPolarHBondContact O-CD 3.34Å
62	N	95.6	Very high	96.5	Very high	36 Å²	36	52.1 Å²	52.1	19%	0.193	30%	0.296	C	S	.	.			trans	-89.4	113.2	176.6	-166.7	-34.9	0	0	0	111	D59 K64 I67 Q113 R114	D59-N62 HydrophobicContact CB-CB 4Å; D59-N62 PolarHBondContact O-N 3.4Å; D59-N62 PolarHBondContact OD1-N 2.8Å; D59-N62 WeakPolarHBondContact OD2-CB 3.23Å; N62-K64 PolarHBondContact O-N 3.2Å; N62-K64 VanDerWaalsContact OD1-CB 3.28Å; N62-K64 WeakPolarHBondContact OD1-CB 3.32Å; N62-K64 WeakPolarHBondContact OD1-CG 3.49Å; N62-K64 PolarHBondContact OD1-N 3.43Å; N62-I67 HydrophobicContact CB-CD1 3.91Å; N62-I67 HydrophobicContact CB-CG1 4.4Å; N62-Q113 PolarHBondContact O-NE2 3.23Å; N62-R114 VanDerWaalsContact O-CZ 3.25Å; N62-R114 PolarHBondContact O-NH1 3.49Å; N62-R114 PolarHBondContact O-NH2 2.98Å
63	P	95.9	Very high	96.9	Very high	110 Å²	110	46.7 Å²	46.7	71%	0.714	27%	0.267	S	S	*	.			trans	-73.1	-11.4	-177.2	30.9	-36.5	0	0	0	113.7	C61 R114	C61-P63 WeakPolarHBondContact O-CD 3.34Å; P63-R114 PolarHBondContact O-NH1 2.8Å; P63-R114 VanDerWaalsContact O-NH1 3.15Å
64	K	96.9	Very high	97.1	Very high	84 Å²	84	47.7 Å²	47.7	37%	0.365	27%	0.272	S	S	.	.			trans	-76	149.8	-179	-60.5	176.7	178.7	179.1	0	111.4	N62 V66 Q113 R114 W183	N62-K64 PolarHBondContact O-N 3.2Å; N62-K64 VanDerWaalsContact OD1-CB 3.28Å; N62-K64 WeakPolarHBondContact OD1-CB 3.32Å; N62-K64 WeakPolarHBondContact OD1-CG 3.49Å; N62-K64 PolarHBondContact OD1-N 3.43Å; K64-V66 WeakPolarHBondContact CB-O 3.31Å; K64-Q113 PolarHBondContact O-NE2 3.42Å; K64-R114 PolarHBondContact O-NH1 2.94Å; K64-W183 HydrophobicContact CB-CE3 4.03Å; K64-W183 HydrophobicContact CB-CZ3 4.02Å; K64-W183 HydrophobicContact CG-CE3 4.46Å; K64-W183 PolarHBondContact NZ-O 3Å
65	N	97.9	Very high	97.3	Very high	38 Å²	38	43.5 Å²	43.5	20%	0.203	25%	0.25	C	C	.	.	S	Bend	trans	-76.6	-32.4	172.4	-62.8	-15.7	0	0	0	111.4	V112 Q113 V117 W183	N65-V112 CarbonylContact O-C 3.55Å; N65-V112 VanDerWaalsContact O-CA 3.27Å; N65-V112 WeakPolarHBondContact O-CA 3.37Å; N65-Q113 WeakPolarHBondContact CA-O 3.18Å; N65-Q113 WeakPolarHBondContact CB-O 3.36Å; N65-Q113 PolarHBondContact O-N 3.31Å; N65-V117 HydrophobicContact CB-CG2 4.05Å; N65-W183 HydrophobicContact CB-CH2 3.76Å; N65-W183 HydrophobicContact CB-CZ2 4.48Å; N65-W183 HydrophobicContact CB-CZ3 4.06Å
66	V	98.5	Very high	97	Very high	1 Å²	1	45 Å²	45	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.5	175.1	-176.2	0	0	0	0	110.7	K64 V68 F110 N111 V117 M120 F175 W183	K64-V66 WeakPolarHBondContact CB-O 3.31Å; V66-V68 HydrophobicContact CG1-CG2 4.31Å; V66-F110 HydrophobicContact CG1-CB 4.43Å; V66-F110 HydrophobicContact CG1-CD2 4.4Å; V66-N111 WeakPolarHBondContact CA-O 3.3Å; V66-V117 HydrophobicContact CG2-CB 4.17Å; V66-V117 HydrophobicContact CG2-CG1 3.91Å; V66-V117 HydrophobicContact CG2-CG2 3.64Å; V66-M120 HydrophobicContact CG1-CE 3.89Å; V66-M120 HydrophobicContact CG2-CE 4.05Å; V66-M120 HydrophobicContact CG2-SD 4.19Å; V66-F175 HydrophobicContact CG1-CD1 3.87Å; V66-F175 HydrophobicContact CG1-CE1 3.7Å; V66-W183 HydrophobicContact CB-CB 3.88Å; V66-W183 HydrophobicContact CB-CD2 3.53Å; V66-W183 HydrophobicContact CB-CE3 3.82Å; V66-W183 HydrophobicContact CB-CG 3.56Å; V66-W183 HydrophobicContact CG1-CB 4.08Å; V66-W183 HydrophobicContact CG1-CG 4.12Å; V66-W183 HydrophobicContact CG2-CD2 3.55Å; V66-W183 HydrophobicContact CG2-CE3 4.1Å; V66-W183 HydrophobicContact CG2-CG 3.76Å; V66-W183 HydrophobicContact CG2-CZ2 4.07Å
67	I	98.3	Very high	96.6	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.056	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	105.1	174.2	-50.9	174.7	0	0	0	107.9	D59 N62 F110 N111	D59-I67 HydrophobicContact CB-CD1 3.57Å; N62-I67 HydrophobicContact CB-CD1 3.91Å; N62-I67 HydrophobicContact CB-CG1 4.4Å; I67-F110 CarbonylContact O-C 3.58Å; I67-F110 WeakPolarHBondContact O-CA 3.46Å; I67-F110 WeakPolarHBondContact O-CB 3.49Å; I67-N111 HydrophobicContact CB-CB 4.49Å; I67-N111 PolarHBondContact N-O 2.9Å; I67-N111 PolarHBondContact O-N 3.3Å
68	V	98.4	Very high	96.5	Very high	8 Å²	8	50 Å²	50	5%	0.048	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	125.3	174.4	-173.9	0	0	0	0	108.2	V66 L85 I108 F175 L184	V66-V68 HydrophobicContact CG1-CG2 4.31Å; V68-L85 HydrophobicContact CG1-CD1 3.71Å; V68-I108 HydrophobicContact CG1-CG2 3.98Å; V68-F175 HydrophobicContact CG2-CB 4.02Å; V68-F175 HydrophobicContact CG2-CD1 3.36Å; V68-F175 HydrophobicContact CG2-CE1 3.9Å; V68-F175 HydrophobicContact CG2-CG 3.9Å; V68-L184 HydrophobicContact CB-CB 4.13Å; V68-L184 HydrophobicContact CB-CD2 3.7Å; V68-L184 HydrophobicContact CG1-CD2 3.97Å; V68-L184 HydrophobicContact CG2-CB 3.82Å; V68-L184 HydrophobicContact CG2-CD2 4.31Å
69	R	98.1	Very high	96.4	Very high	55 Å²	55	55 Å²	55	21%	0.208	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-51.8	-172.6	-62.6	-60.8	-168.9	177.5	0.6	112	L85 N86 C109 N111	R69-L85 PolarHBondContact O-N 3.01Å; R69-N86 WeakPolarHBondContact CD-OD1 3.33Å; R69-N86 PolarHBondContact NH1-OD1 3.31Å; R69-N86 PolarHBondContact O-ND2 3.42Å; R69-C109 HydrophobicContact CB-CB 4.43Å; R69-C109 WeakPolarHBondContact CB-O 3.31Å; R69-C109 PolarHBondContact N-O 2.78Å; R69-N111 PolarHBondContact NE-OD1 2.82Å; R69-N111 PolarHBondContact NH2-OD1 3.4Å
70	H	98.4	Very high	96.4	Very high	39 Å²	39	56.8 Å²	56.8	18%	0.181	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	158.6	-179.9	60.5	-101.7	0	0	0	111.4	V82 M83 C109	H70-V82 HydrophobicContact CB-CG1 3.73Å; H70-M83 WeakPolarHBondContact CA-O 3.36Å; H70-M83 WeakPolarHBondContact CB-O 3.47Å; H70-C109 WeakPolarHBondContact CE1-CB 3.45Å; H70-C109 VanDerWaalsContact CE1-SG 3.51Å; H70-C109 WeakPolarHBondContact NE2-CB 3.12Å; H70-C109 PolarHBondContact O-N 3.09Å
71	L	98.6	Very high	96.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133	164.2	179.5	73.1	0	0	0	107.2	M83 L85 F96 L106 E107 I108 W186 W188	L71-M83 HydrophobicContact CD2-SD 4.46Å; L71-M83 PolarHBondContact N-O 2.87Å; L71-M83 PolarHBondContact O-N 2.97Å; L71-L85 HydrophobicContact CB-CD1 3.97Å; L71-F96 HydrophobicContact CD2-CE2 3.77Å; L71-F96 HydrophobicContact CD2-CZ 4.39Å; L71-F96 HydrophobicContact CG-CE2 4Å; L71-F96 HydrophobicContact CG-CZ 4.37Å; L71-L106 HydrophobicContact CD1-CB 4.1Å; L71-L106 HydrophobicContact CD1-CD1 4.49Å; L71-L106 HydrophobicContact CD1-CD2 4.46Å; L71-E107 CarbonylContact C-O 3.59Å; L71-E107 WeakPolarHBondContact CA-O 3.49Å; L71-I108 HydrophobicContact CD1-CD1 4.47Å; L71-I108 HydrophobicContact CD1-CG1 3.68Å; L71-W186 HydrophobicContact CB-CZ2 4.33Å; L71-W186 HydrophobicContact CD2-CZ2 4.15Å; L71-W188 HydrophobicContact CD2-CD2 4.44Å; L71-W188 HydrophobicContact CD2-CZ2 3.93Å
72	A	98.4	Very high	96.5	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.017	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.3	174.7	0	0	0	0	0	111.3	I74 V81 V82 L106 E107	A72-I74 HydrophobicContact CB-CD1 4.04Å; A72-V81 CarbonylContact C-O 3.6Å; A72-V81 VanDerWaalsContact CA-O 3.24Å; A72-V81 WeakPolarHBondContact CA-O 3.39Å; A72-V82 HydrophobicContact CB-CG2 3.98Å; A72-L106 CarbonylContact O-C 3.56Å; A72-L106 WeakPolarHBondContact O-CA 3.2Å; A72-E107 HydrophobicContact CB-CB 4.26Å; A72-E107 PolarHBondContact N-O 2.75Å; A72-E107 PolarHBondContact O-N 2.75Å
73	L	98.3	Very high	96.6	Very high	4 Å²	4	51 Å²	51	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	118.7	168.5	175.2	70	0	0	0	108.7	V75 D80 V81 F96 I98 Y104 L106	L73-V75 HydrophobicContact CD1-CG2 4.2Å; L73-V75 HydrophobicContact CD2-CG2 4.06Å; L73-V75 HydrophobicContact CG-CG2 3.92Å; L73-D80 WeakPolarHBondContact O-CA 3.17Å; L73-V81 HydrophobicContact CB-CB 4.37Å; L73-V81 PolarHBondContact N-O 3.34Å; L73-V81 PolarHBondContact O-N 2.95Å; L73-V81 VanDerWaalsContact O-N 3.08Å; L73-F96 HydrophobicContact CB-CD1 4.17Å; L73-F96 HydrophobicContact CB-CD2 3.73Å; L73-F96 HydrophobicContact CB-CE1 4.27Å; L73-F96 HydrophobicContact CB-CE2 3.83Å; L73-F96 HydrophobicContact CB-CG 3.92Å; L73-F96 HydrophobicContact CB-CZ 4.1Å; L73-F96 HydrophobicContact CD2-CB 3.97Å; L73-F96 HydrophobicContact CD2-CG 4.23Å; L73-I98 HydrophobicContact CD1-CG2 3.98Å; L73-I98 HydrophobicContact CD2-CG2 3.6Å; L73-I98 HydrophobicContact CG-CG2 4.43Å; L73-Y104 HydrophobicContact CD1-CD2 3.87Å; L73-Y104 HydrophobicContact CD1-CG 4.16Å; L73-L106 HydrophobicContact CD1-CD2 4.21Å
74	I	98.1	Very high	96.7	Very high	22 Å²	22	50.5 Å²	50.5	11%	0.113	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.7	178.6	-44.3	-58.9	0	0	0	108.3	A72 D80 Y104 Q105 E107	A72-I74 HydrophobicContact CB-CD1 4.04Å; I74-D80 HydrophobicContact CD1-CB 3.85Å; I74-D80 WeakPolarHBondContact CD1-OD1 3.21Å; I74-D80 WeakPolarHBondContact CD1-OD2 3.21Å; I74-Y104 CarbonylContact O-C 3.56Å; I74-Y104 VanDerWaalsContact O-CA 3.27Å; I74-Y104 WeakPolarHBondContact O-CA 3.15Å; I74-Q105 HydrophobicContact CB-CB 4.33Å; I74-Q105 PolarHBondContact N-O 2.69Å; I74-Q105 PolarHBondContact O-N 3.48Å; I74-E107 HydrophobicContact CD1-CB 4.09Å; I74-E107 HydrophobicContact CG1-CB 3.93Å
75	V	96.5	Very high	96.8	Very high	11 Å²	11	46.7 Å²	46.7	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.7	177.3	-179.8	0	0	0	0	109.1	L73 G77 R78 W196	L73-V75 HydrophobicContact CD1-CG2 4.2Å; L73-V75 HydrophobicContact CD2-CG2 4.06Å; L73-V75 HydrophobicContact CG-CG2 3.92Å; V75-G77 PolarHBondContact O-N 2.87Å; V75-R78 HydrophobicContact CB-CB 4.35Å; V75-R78 HydrophobicContact CG1-CG 4.4Å; V75-R78 PolarHBondContact O-N 2.88Å; V75-R78 VanDerWaalsContact O-N 3.12Å; V75-W196 HydrophobicContact CB-CH2 4.27Å; V75-W196 HydrophobicContact CG1-CH2 3.58Å; V75-W196 HydrophobicContact CG1-CZ2 3.77Å; V75-W196 HydrophobicContact CG2-CH2 3.98Å; V75-W196 HydrophobicContact CG2-CZ3 4.49Å
76	S	88.8	Confident	96.5	Very high	107 Å²	107	49.3 Å²	49.3	75%	0.748	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	125.9	178.9	-72.9	0	0	0	0	111.9
77	G	88.9	Confident	96.2	Very high	89 Å²	89	54.8 Å²	54.8	92%	0.918	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	13	178.2	0	0	0	0	0	115	V75	V75-G77 PolarHBondContact O-N 2.87Å
78	R	94.1	Very high	96.1	Very high	118 Å²	118	57.6 Å²	57.6	45%	0.445	33%	0.325	S	S	.	.	S	Bend	trans	-130	159.6	172.8	-61.7	-177.2	67.5	88.6	-4.8	110	V75 W196	V75-R78 HydrophobicContact CB-CB 4.35Å; V75-R78 HydrophobicContact CG1-CG 4.4Å; V75-R78 PolarHBondContact O-N 2.88Å; V75-R78 VanDerWaalsContact O-N 3.12Å; R78-W196 VanDerWaalsContact CD-CE2 3.48Å; R78-W196 VanDerWaalsContact CZ-CD2 3.48Å
79	D	95.6	Very high	96	Very high	152 Å²	152	60.9 Å²	60.9	81%	0.813	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-67.6	145.2	168.9	-63.2	-36	0	0	0	109.9
80	D	97	Very high	95.8	Very high	83 Å²	83	60 Å²	60	44%	0.444	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-66	135.4	177.7	-60.5	-21.5	0	0	0	110.2	L73 I74	L73-D80 WeakPolarHBondContact O-CA 3.17Å; I74-D80 HydrophobicContact CD1-CB 3.85Å; I74-D80 WeakPolarHBondContact CD1-OD1 3.21Å; I74-D80 WeakPolarHBondContact CD1-OD2 3.21Å
81	V	97.2	Very high	95.8	Very high	73 Å²	73	58.3 Å²	58.3	44%	0.442	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.4	175.4	-173.9	0	0	0	0	108.3	A72 L73 F96	A72-V81 CarbonylContact C-O 3.6Å; A72-V81 VanDerWaalsContact CA-O 3.24Å; A72-V81 WeakPolarHBondContact CA-O 3.39Å; L73-V81 HydrophobicContact CB-CB 4.37Å; L73-V81 PolarHBondContact N-O 3.34Å; L73-V81 PolarHBondContact O-N 2.95Å; L73-V81 VanDerWaalsContact O-N 3.08Å; V81-F96 HydrophobicContact CB-CD1 4.31Å; V81-F96 HydrophobicContact CB-CE1 4.24Å; V81-F96 HydrophobicContact CG1-CD1 3.87Å; V81-F96 HydrophobicContact CG1-CE1 3.84Å
82	V	97.9	Very high	95.7	Very high	65 Å²	65	63.8 Å²	63.8	39%	0.394	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.9	-171.5	-174.1	0	0	0	0	111.1	H70 A72	H70-V82 HydrophobicContact CB-CG1 3.73Å; A72-V82 HydrophobicContact CB-CG2 3.98Å
83	M	97.8	Very high	95.6	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	117.4	171.6	174.5	-173.4	-70.9	0	0	109.4	H70 L71 L85 V91 E94 F96 W188	H70-M83 WeakPolarHBondContact CA-O 3.36Å; H70-M83 WeakPolarHBondContact CB-O 3.47Å; L71-M83 HydrophobicContact CD2-SD 4.46Å; L71-M83 PolarHBondContact N-O 2.87Å; L71-M83 PolarHBondContact O-N 2.97Å; M83-L85 HydrophobicContact CG-CD2 4.02Å; M83-L85 HydrophobicContact SD-CD2 4.04Å; M83-V91 HydrophobicContact CG-CG1 4.09Å; M83-V91 HydrophobicContact SD-CG1 3.67Å; M83-E94 HydrophobicContact CE-CB 3.74Å; M83-E94 WeakPolarHBondContact CG-OE2 3.39Å; M83-F96 HydrophobicContact CB-CE1 4.04Å; M83-F96 HydrophobicContact CB-CZ 3.83Å; M83-F96 HydrophobicContact CE-CE1 4.4Å; M83-F96 HydrophobicContact CE-CZ 4.37Å; M83-W188 HydrophobicContact CE-CB 3.3Å; M83-W188 HydrophobicContact CE-CD2 4.08Å; M83-W188 HydrophobicContact CE-CE3 4.22Å; M83-W188 HydrophobicContact CE-CG 3.73Å; M83-W188 HydrophobicContact SD-CB 3.93Å; M83-W188 HydrophobicContact SD-CG 4.11Å
84	Q	97.8	Very high	95.5	Very high	98 Å²	98	73 Å²	73	46%	0.458	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	136.1	179.3	-63.3	-62.7	-35.9	0	0	110.3
85	L	97.9	Very high	95.4	Very high	5 Å²	5	74.1 Å²	74.1	3%	0.026	44%	0.436	C	S	.	.			trans	-120.4	6.2	-175.3	-62.7	178.2	0	0	0	113.3	V68 R69 L71 M83 D87 L88 V91 L184 W186	V68-L85 HydrophobicContact CG1-CD1 3.71Å; R69-L85 PolarHBondContact O-N 3.01Å; L71-L85 HydrophobicContact CB-CD1 3.97Å; M83-L85 HydrophobicContact CG-CD2 4.02Å; M83-L85 HydrophobicContact SD-CD2 4.04Å; L85-D87 VanDerWaalsContact C-N 3.29Å; L85-L88 HydrophobicContact CD2-CD2 4.16Å; L85-V91 HydrophobicContact CD2-CG1 3.94Å; L85-L184 HydrophobicContact CB-CD2 3.76Å; L85-L184 HydrophobicContact CD1-CD2 3.96Å; L85-L184 HydrophobicContact CG-CD2 4.3Å; L85-W186 HydrophobicContact CD1-CD2 4.17Å; L85-W186 HydrophobicContact CD1-CE3 4.49Å; L85-W186 HydrophobicContact CD1-CH2 4.03Å; L85-W186 HydrophobicContact CD1-CZ2 3.66Å; L85-W186 HydrophobicContact CD1-CZ3 4.44Å; L85-W186 HydrophobicContact CD2-CD2 4.15Å; L85-W186 HydrophobicContact CD2-CG 3.97Å
86	N	91.9	Very high	95.4	Very high	92 Å²	92	73.8 Å²	73.8	49%	0.492	43%	0.433	S	S	.	.	S	Bend	trans	-71.2	-27.2	175.4	-57	-67.1	0	0	0	112.3	R69	R69-N86 WeakPolarHBondContact CD-OD1 3.33Å; R69-N86 PolarHBondContact NH1-OD1 3.31Å; R69-N86 PolarHBondContact O-ND2 3.42Å
87	D	93	Very high	95.8	Very high	116 Å²	116	70.7 Å²	70.7	62%	0.62	41%	0.41	S	S	*	.	S	Bend	trans	-130.4	129.9	168.9	-174.7	-3.9	0	0	0	107.1	L85 A89	L85-D87 VanDerWaalsContact C-N 3.29Å; D87-A89 WeakPolarHBondContact OD1-CB 3.25Å; D87-A89 PolarHBondContact OD1-N 3.21Å
88	L	95.7	Very high	96.1	Very high	70 Å²	70	66.4 Å²	66.4	37%	0.366	37%	0.366	S	S	.	.			trans	-91.4	-3.5	-177.6	-63.2	-176.2	0	0	0	112.8	L85 G90 V91 L184 W186	L85-L88 HydrophobicContact CD2-CD2 4.16Å; L88-G90 PolarHBondContact O-N 3.08Å; L88-G90 VanDerWaalsContact O-N 3.13Å; L88-V91 HydrophobicContact CD2-CG2 4.39Å; L88-V91 PolarHBondContact O-N 2.82Å; L88-V91 VanDerWaalsContact O-N 3.17Å; L88-L184 HydrophobicContact CD1-CD1 3.98Å; L88-L184 HydrophobicContact CD2-CD1 4.29Å; L88-L184 HydrophobicContact CD2-CD2 4.39Å; L88-L184 HydrophobicContact CG-CD1 4.45Å; L88-W186 HydrophobicContact CD2-CB 4.06Å
89	A	95.8	Very high	96.3	Very high	77 Å²	77	63.9 Å²	63.9	64%	0.636	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	117.5	177.6	0	0	0	0	0	110.8	D87 V91	D87-A89 WeakPolarHBondContact OD1-CB 3.25Å; D87-A89 PolarHBondContact OD1-N 3.21Å; A89-V91 VanDerWaalsContact C-N 3.29Å; A89-V91 PolarHBondContact O-N 2.82Å
90	G	95.2	Very high	96.3	Very high	38 Å²	38	57.9 Å²	57.9	39%	0.392	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-5.5	178.9	0	0	0	0	0	115.6	L88 E92 D93 E94	L88-G90 PolarHBondContact O-N 3.08Å; L88-G90 VanDerWaalsContact O-N 3.13Å; G90-E92 PolarHBondContact O-N 2.84Å; G90-D93 PolarHBondContact O-N 3.31Å; G90-E94 PolarHBondContact O-N 3.25Å
91	V	97.1	Very high	96.2	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.018	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-60.6	-30.8	179.4	172.1	0	0	0	0	112	M83 L85 L88 A89 D93 E94 E187	M83-V91 HydrophobicContact CG-CG1 4.09Å; M83-V91 HydrophobicContact SD-CG1 3.67Å; L85-V91 HydrophobicContact CD2-CG1 3.94Å; L88-V91 HydrophobicContact CD2-CG2 4.39Å; L88-V91 PolarHBondContact O-N 2.82Å; L88-V91 VanDerWaalsContact O-N 3.17Å; A89-V91 VanDerWaalsContact C-N 3.29Å; A89-V91 PolarHBondContact O-N 2.82Å; V91-D93 PolarHBondContact O-N 2.79Å; V91-E94 WeakPolarHBondContact O-CB 3.49Å; V91-E94 PolarHBondContact O-N 2.86Å; V91-E94 VanDerWaalsContact O-N 3.14Å; V91-E187 CarbonylContact C-O 3.5Å
92	E	96.8	Very high	96.1	Very high	114 Å²	114	56 Å²	56	53%	0.533	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-67.6	-17.6	177.2	67.9	179.6	161	0	0	114.5	G90 E187 N189	G90-E92 PolarHBondContact O-N 2.84Å; E92-E187 WeakPolarHBondContact CA-O 3.38Å; E92-N189 PolarHBondContact O-ND2 3.27Å
93	D	96.1	Very high	96	Very high	125 Å²	125	58.5 Å²	58.5	67%	0.668	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-96.1	-11.8	176	-62.6	-45.5	0	0	0	112	G90 V91	G90-D93 PolarHBondContact O-N 3.31Å; V91-D93 PolarHBondContact O-N 2.79Å
94	E	96.6	Very high	96	Very high	74 Å²	74	59.6 Å²	59.6	35%	0.346	33%	0.326	S	S	.	.			trans	-70.3	143.7	176.6	-71.9	-168.1	-151.8	0	0	111.4	M83 G90 V91 N189	M83-E94 HydrophobicContact CE-CB 3.74Å; M83-E94 WeakPolarHBondContact CG-OE2 3.39Å; G90-E94 PolarHBondContact O-N 3.25Å; V91-E94 WeakPolarHBondContact O-CB 3.49Å; V91-E94 PolarHBondContact O-N 2.86Å; V91-E94 VanDerWaalsContact O-N 3.14Å; E94-N189 PolarHBondContact O-N 2.8Å; E94-N189 PolarHBondContact O-ND2 2.75Å
95	S	96.2	Very high	96	Very high	47 Å²	47	57.3 Å²	57.3	33%	0.329	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.8	-179.5	-68.5	0	0	0	0	111.4	N189	S95-N189 CarbonylContact C-O 3.52Å; S95-N189 VanDerWaalsContact CA-O 3.23Å; S95-N189 WeakPolarHBondContact CA-O 3.35Å; S95-N189 WeakPolarHBondContact OG-CB 3.26Å
96	F	97.1	Very high	96	Very high	3 Å²	3	57.2 Å²	57.2	1%	0.013	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.7	157.6	-70.4	-21.5	0	0	0	109.6	L71 L73 V81 M83 L106 W188 N189 L190 E191	L71-F96 HydrophobicContact CD2-CE2 3.77Å; L71-F96 HydrophobicContact CD2-CZ 4.39Å; L71-F96 HydrophobicContact CG-CE2 4Å; L71-F96 HydrophobicContact CG-CZ 4.37Å; L73-F96 HydrophobicContact CB-CD1 4.17Å; L73-F96 HydrophobicContact CB-CD2 3.73Å; L73-F96 HydrophobicContact CB-CE1 4.27Å; L73-F96 HydrophobicContact CB-CE2 3.83Å; L73-F96 HydrophobicContact CB-CG 3.92Å; L73-F96 HydrophobicContact CB-CZ 4.1Å; L73-F96 HydrophobicContact CD2-CB 3.97Å; L73-F96 HydrophobicContact CD2-CG 4.23Å; V81-F96 HydrophobicContact CB-CD1 4.31Å; V81-F96 HydrophobicContact CB-CE1 4.24Å; V81-F96 HydrophobicContact CG1-CD1 3.87Å; V81-F96 HydrophobicContact CG1-CE1 3.84Å; M83-F96 HydrophobicContact CB-CE1 4.04Å; M83-F96 HydrophobicContact CB-CZ 3.83Å; M83-F96 HydrophobicContact CE-CE1 4.4Å; M83-F96 HydrophobicContact CE-CZ 4.37Å; F96-L106 HydrophobicContact CD2-CD2 4.36Å; F96-L106 HydrophobicContact CE2-CD2 4.21Å; F96-W188 HydrophobicContact CB-CE3 4.38Å; F96-W188 HydrophobicContact CB-CZ3 3.86Å; F96-W188 AromaticContact CD2-CE3 3.85Å; F96-W188 HydrophobicContact CD2-CE3 3.85Å; F96-W188 AromaticContact CD2-CH2 3.79Å; F96-W188 HydrophobicContact CD2-CH2 3.79Å; F96-W188 AromaticContact CD2-CZ3 3.37Å; F96-W188 HydrophobicContact CD2-CZ3 3.37Å; F96-W188 HydrophobicContact CE2-CE3 4.47Å; F96-W188 HydrophobicContact CE2-CH2 4.42Å; F96-W188 HydrophobicContact CE2-CZ3 4.23Å; F96-W188 HydrophobicContact CG-CE3 4.25Å; F96-W188 AromaticContact CG-CZ3 3.92Å; F96-W188 HydrophobicContact CG-CZ3 3.92Å; F96-N189 PolarHBondContact N-O 2.89Å; F96-L190 HydrophobicContact CB-CD1 4.17Å; F96-L190 CarbonylContact O-C 3.59Å; F96-L190 WeakPolarHBondContact O-CA 3.15Å; F96-E191 PolarHBondContact O-N 2.78Å
97	V	96.2	Very high	96.3	Very high	42 Å²	42	53.9 Å²	53.9	26%	0.255	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.4	175.9	-177.9	0	0	0	0	108.3	E191 K193 W196	V97-E191 WeakPolarHBondContact CA-O 3.18Å; V97-E191 HydrophobicContact CG2-CB 4.22Å; V97-K193 HydrophobicContact CG1-CD 3.69Å; V97-K193 HydrophobicContact CG1-CG 4.13Å; V97-W196 WeakPolarHBondContact O-CZ3 3.03Å
98	I	96.2	Very high	96.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.9	174.2	58	172.1	0	0	0	110.9	L73 Y104 A159 L190 E191 I192 K193	L73-I98 HydrophobicContact CD1-CG2 3.98Å; L73-I98 HydrophobicContact CD2-CG2 3.6Å; L73-I98 HydrophobicContact CG-CG2 4.43Å; I98-Y104 HydrophobicContact CD1-CD1 4.36Å; I98-Y104 HydrophobicContact CD1-CE1 4.03Å; I98-A159 HydrophobicContact CD1-CB 3.73Å; I98-A159 HydrophobicContact CG1-CB 4.42Å; I98-L190 HydrophobicContact CD1-CD1 3.77Å; I98-L190 HydrophobicContact CD1-CD2 4.02Å; I98-L190 HydrophobicContact CD1-CG 4.13Å; I98-L190 HydrophobicContact CG1-CD1 3.84Å; I98-L190 HydrophobicContact CG1-CG 4.33Å; I98-L190 HydrophobicContact CG2-CD1 4.22Å; I98-E191 PolarHBondContact N-O 3.37Å; I98-I192 HydrophobicContact CD1-CD1 4.38Å; I98-I192 HydrophobicContact CD1-CG1 4.04Å; I98-I192 HydrophobicContact CG1-CG1 3.99Å; I98-I192 WeakPolarHBondContact O-CA 3.36Å; I98-K193 PolarHBondContact O-N 2.89Å
99	K	96.4	Very high	96.7	Very high	65 Å²	65	45.7 Å²	45.7	28%	0.283	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	139.5	168.8	-177.6	177.2	168.6	148.6	0	109.4	C102 A159 K193 K194 D195 W196	K99-C102 HydrophobicContact CB-CB 4.28Å; K99-C102 WeakPolarHBondContact O-CB 3.42Å; K99-C102 PolarHBondContact O-N 3Å; K99-C102 PolarHBondContact O-SG 2.85Å; K99-A159 WeakPolarHBondContact O-CB 3.19Å; K99-K193 CarbonylContact C-O 3.57Å; K99-K193 WeakPolarHBondContact CA-O 3.4Å; K99-K194 VanDerWaalsContact CE-O 3.24Å; K99-K194 WeakPolarHBondContact CE-O 3.34Å; K99-K194 WeakPolarHBondContact CG-O 3.47Å; K99-D195 IonicContact NZ-OD1 2.75Å; K99-D195 PolarHBondContact NZ-OD1 2.82Å; K99-W196 HydrophobicContact CB-CD2 3.77Å; K99-W196 VanDerWaalsContact CB-CE2 3.42Å; K99-W196 HydrophobicContact CB-CE3 4.2Å; K99-W196 HydrophobicContact CB-CG 4.31Å; K99-W196 HydrophobicContact CB-CH2 3.96Å; K99-W196 HydrophobicContact CB-CZ2 3.52Å; K99-W196 HydrophobicContact CB-CZ3 4.31Å
100	E	95.8	Very high	96.9	Very high	26 Å²	26	42 Å²	42	12%	0.121	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	148.1	170.5	67	177.7	-174.8	0	0	112.1	C102 P160 G162 R166 I192 K193	E100-C102 PolarHBondContact O-N 2.81Å; E100-P160 WeakPolarHBondContact CB-O 3.33Å; E100-G162 PolarHBondContact OE2-N 2.62Å; E100-R166 VanDerWaalsContact CD-NH2 3.27Å; E100-R166 IonicContact OE1-CZ 3.44Å; E100-R166 IonicContact OE1-NE 3.52Å; E100-R166 IonicContact OE1-NH2 2.65Å; E100-R166 PolarHBondContact OE1-NH2 3.4Å; E100-R166 IonicContact OE2-CZ 3.33Å; E100-R166 IonicContact OE2-NE 2.73Å; E100-R166 PolarHBondContact OE2-NE 3.18Å; E100-R166 IonicContact OE2-NH2 3.1Å; E100-R166 PolarHBondContact OE2-NH2 3.28Å; E100-R166 VanDerWaalsContact OE2-NH2 3.1Å; E100-I192 HydrophobicContact CB-CG2 4.28Å; E100-K193 PolarHBondContact N-O 3.19Å
101	D	95.3	Very high	97	Very high	100 Å²	100	40.6 Å²	40.6	54%	0.535	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	5.7	-174.4	-63.3	-42.8	0	0	0	115.4	A159 S161	D101-A159 WeakPolarHBondContact CA-O 3.23Å; D101-A159 PolarHBondContact N-O 2.94Å; D101-S161 VanDerWaalsContact CG-OG 3.28Å; D101-S161 WeakPolarHBondContact OD1-CB 3.35Å; D101-S161 PolarHBondContact OD1-OG 3.4Å; D101-S161 WeakPolarHBondContact OD2-CB 3.5Å; D101-S161 PolarHBondContact OD2-OG 2.83Å
102	C	95.7	Very high	97.1	Very high	16 Å²	16	40.5 Å²	40.5	11%	0.108	21%	0.206	C	C	.	.			trans	-74	148.1	175.7	89	0	0	0	0	111.4	K99 E100 V158 A159 W196	K99-C102 HydrophobicContact CB-CB 4.28Å; K99-C102 WeakPolarHBondContact O-CB 3.42Å; K99-C102 PolarHBondContact O-N 3Å; K99-C102 PolarHBondContact O-SG 2.85Å; E100-C102 PolarHBondContact O-N 2.81Å; C102-V158 WeakPolarHBondContact O-CA 3.5Å; C102-A159 PolarHBondContact O-N 3.35Å; C102-W196 HydrophobicContact CB-CH2 4.09Å; C102-W196 HydrophobicContact CB-CZ2 3.9Å
103	Q	96.4	Very high	97.1	Very high	118 Å²	118	35 Å²	35	55%	0.551	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.8	168.8	-71.4	-179.4	22.9	0	0	110.1	T156 E157 V158	Q103-T156 HydrophobicContact CB-CG2 3.9Å; Q103-T156 HydrophobicContact CG-CG2 4.19Å; Q103-E157 CarbonylContact C-O 3.57Å; Q103-E157 VanDerWaalsContact CA-O 3.25Å; Q103-E157 WeakPolarHBondContact CA-O 3.21Å; Q103-V158 HydrophobicContact CG-CG2 4.16Å
104	Y	96.8	Very high	97.2	Very high	23 Å²	23	32 Å²	32	9%	0.09	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162.2	179.6	70.9	-85.6	0	0	0	112.2	L73 I74 I98 E157 A159	L73-Y104 HydrophobicContact CD1-CD2 3.87Å; L73-Y104 HydrophobicContact CD1-CG 4.16Å; I74-Y104 CarbonylContact O-C 3.56Å; I74-Y104 VanDerWaalsContact O-CA 3.27Å; I74-Y104 WeakPolarHBondContact O-CA 3.15Å; I98-Y104 HydrophobicContact CD1-CD1 4.36Å; I98-Y104 HydrophobicContact CD1-CE1 4.03Å; Y104-E157 HydrophobicContact CD1-CB 4.33Å; Y104-E157 HydrophobicContact CE1-CB 3.81Å; Y104-E157 HydrophobicContact CE2-CB 4.02Å; Y104-E157 WeakPolarHBondContact CE2-OE2 3.12Å; Y104-E157 VanDerWaalsContact CZ-OE2 3.25Å; Y104-E157 PolarHBondContact N-O 2.99Å; Y104-E157 PolarHBondContact O-N 3.25Å; Y104-E157 PolarHBondContact OH-OE2 3.27Å; Y104-A159 HydrophobicContact CD1-CB 4.33Å; Y104-A159 HydrophobicContact CE1-CB 4.14Å
105	Q	97.6	Very high	97.2	Very high	50 Å²	50	31.6 Å²	31.6	23%	0.234	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	153	167.9	-65.9	178.9	-81.8	0	0	108.9	I74 T154	I74-Q105 HydrophobicContact CB-CB 4.33Å; I74-Q105 PolarHBondContact N-O 2.69Å; I74-Q105 PolarHBondContact O-N 3.48Å; Q105-T154 PolarHBondContact NE2-O 2.74Å
106	L	98	Very high	97.2	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.4	164.7	-63.9	178.8	0	0	0	109	L71 A72 L73 F96 Y122 R153 T154 W188	L71-L106 HydrophobicContact CD1-CB 4.1Å; L71-L106 HydrophobicContact CD1-CD1 4.49Å; L71-L106 HydrophobicContact CD1-CD2 4.46Å; A72-L106 CarbonylContact O-C 3.56Å; A72-L106 WeakPolarHBondContact O-CA 3.2Å; L73-L106 HydrophobicContact CD1-CD2 4.21Å; F96-L106 HydrophobicContact CD2-CD2 4.36Å; F96-L106 HydrophobicContact CE2-CD2 4.21Å; L106-Y122 HydrophobicContact CD1-CE1 4.09Å; L106-R153 CarbonylContact O-C 3.5Å; L106-R153 VanDerWaalsContact O-CA 3.31Å; L106-R153 WeakPolarHBondContact O-CA 3.36Å; L106-T154 HydrophobicContact CB-CG2 3.92Å; L106-T154 PolarHBondContact N-OG1 3.4Å; L106-T154 PolarHBondContact O-N 3.39Å; L106-W188 HydrophobicContact CD1-CZ2 4.38Å
107	E	98.5	Very high	97.2	Very high	22 Å²	22	32 Å²	32	10%	0.103	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.9	173.2	-176	178.1	107.6	0	0	109.7	L71 A72 I74 V151 F152 R153	L71-E107 CarbonylContact C-O 3.59Å; L71-E107 WeakPolarHBondContact CA-O 3.49Å; A72-E107 HydrophobicContact CB-CB 4.26Å; A72-E107 PolarHBondContact N-O 2.75Å; A72-E107 PolarHBondContact O-N 2.75Å; I74-E107 HydrophobicContact CD1-CB 4.09Å; I74-E107 HydrophobicContact CG1-CB 3.93Å; E107-V151 HydrophobicContact CG-CG1 3.34Å; E107-V151 WeakPolarHBondContact OE2-CG1 3.46Å; E107-F152 CarbonylContact C-O 3.53Å; E107-F152 VanDerWaalsContact CA-O 3.31Å; E107-F152 WeakPolarHBondContact CA-O 3.37Å; E107-R153 HydrophobicContact CB-CG 4.09Å; E107-R153 HydrophobicContact CG-CG 3.98Å; E107-R153 IonicContact OE2-CZ 3.13Å; E107-R153 IonicContact OE2-NE 2.67Å; E107-R153 PolarHBondContact OE2-NE 2.96Å; E107-R153 IonicContact OE2-NH2 2.73Å; E107-R153 PolarHBondContact OE2-NH2 3.35Å
108	I	98.6	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.5	176.3	-56.3	172.6	0	0	0	108.1	V68 L71 F110 Y122 F152 F175	V68-I108 HydrophobicContact CG1-CG2 3.98Å; L71-I108 HydrophobicContact CD1-CD1 4.47Å; L71-I108 HydrophobicContact CD1-CG1 3.68Å; I108-F110 HydrophobicContact CG2-CD1 4.25Å; I108-Y122 HydrophobicContact CD1-CD1 3.79Å; I108-Y122 HydrophobicContact CD1-CD2 3.59Å; I108-Y122 HydrophobicContact CD1-CE1 4.34Å; I108-Y122 HydrophobicContact CD1-CE2 4.13Å; I108-Y122 HydrophobicContact CD1-CG 3.4Å; I108-Y122 VanDerWaalsContact CD1-CG 3.4Å; I108-F152 HydrophobicContact CD1-CD1 4.4Å; I108-F152 PolarHBondContact N-O 3.05Å; I108-F152 PolarHBondContact O-N 3.01Å; I108-F175 HydrophobicContact CD1-CD2 4.25Å; I108-F175 HydrophobicContact CD1-CE2 4.06Å; I108-F175 HydrophobicContact CG2-CD2 4.47Å; I108-F175 HydrophobicContact CG2-CE2 4Å; I108-F175 HydrophobicContact CG2-CZ 4.19Å
109	C	98.7	Very high	97.2	Very high	13 Å²	13	31.2 Å²	31.2	9%	0.088	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.3	174.3	-177.1	0	0	0	0	110.2	R69 H70 A149 Y150	R69-C109 HydrophobicContact CB-CB 4.43Å; R69-C109 WeakPolarHBondContact CB-O 3.31Å; R69-C109 PolarHBondContact N-O 2.78Å; H70-C109 WeakPolarHBondContact CE1-CB 3.45Å; H70-C109 VanDerWaalsContact CE1-SG 3.51Å; H70-C109 WeakPolarHBondContact NE2-CB 3.12Å; H70-C109 PolarHBondContact O-N 3.09Å; C109-A149 VanDerWaalsContact SG-CB 3.53Å; C109-Y150 WeakPolarHBondContact CA-O 3.36Å
110	F	98.7	Very high	97.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	152.2	-175.6	61.7	-82.9	0	0	0	112.6	V66 I67 I108 V112 M120 V140 Y143 A149 Y150 F152 F175	V66-F110 HydrophobicContact CG1-CB 4.43Å; V66-F110 HydrophobicContact CG1-CD2 4.4Å; I67-F110 CarbonylContact O-C 3.58Å; I67-F110 WeakPolarHBondContact O-CA 3.46Å; I67-F110 WeakPolarHBondContact O-CB 3.49Å; I108-F110 HydrophobicContact CG2-CD1 4.25Å; F110-V112 HydrophobicContact CD2-CG2 3.99Å; F110-V112 HydrophobicContact CE2-CG2 3.96Å; F110-M120 HydrophobicContact CD2-CE 3.77Å; F110-M120 HydrophobicContact CE2-CE 3.54Å; F110-M120 HydrophobicContact CE2-SD 4.04Å; F110-M120 HydrophobicContact CG-CE 4.47Å; F110-M120 HydrophobicContact CZ-CE 4.08Å; F110-V140 HydrophobicContact CE1-CG1 4.08Å; F110-V140 HydrophobicContact CZ-CG1 3.94Å; F110-Y143 HydrophobicContact CE2-CD1 4.47Å; F110-Y143 HydrophobicContact CE2-CD2 4.14Å; F110-Y143 HydrophobicContact CE2-CG 4.11Å; F110-Y143 HydrophobicContact CZ-CD1 4.36Å; F110-Y143 HydrophobicContact CZ-CD2 4.06Å; F110-Y143 HydrophobicContact CZ-CE1 4.25Å; F110-Y143 HydrophobicContact CZ-CE2 4.01Å; F110-Y143 HydrophobicContact CZ-CG 4.24Å; F110-A149 CarbonylContact O-C 3.57Å; F110-A149 WeakPolarHBondContact O-CA 3.41Å; F110-Y150 HydrophobicContact CD2-CD2 4.38Å; F110-Y150 AromaticContact CE2-CD2 3.97Å; F110-Y150 HydrophobicContact CE2-CD2 3.97Å; F110-Y150 HydrophobicContact CE2-CG 4.05Å; F110-Y150 VanDerWaalsContact CZ-CB 3.44Å; F110-Y150 HydrophobicContact CZ-CG 4.2Å; F110-Y150 PolarHBondContact N-O 2.86Å; F110-Y150 PolarHBondContact O-N 3.15Å; F110-F152 HydrophobicContact CE1-CB 4.06Å; F110-F175 HydrophobicContact CB-CE1 4.24Å; F110-F175 HydrophobicContact CD1-CE1 4.24Å; F110-F175 AromaticContact CD1-CZ 3.8Å; F110-F175 HydrophobicContact CD1-CZ 3.8Å; F110-F175 HydrophobicContact CD2-CE1 4.26Å; F110-F175 HydrophobicContact CD2-CZ 4.42Å; F110-F175 AromaticContact CE1-CZ 3.99Å; F110-F175 HydrophobicContact CE1-CZ 3.99Å; F110-F175 AromaticContact CG-CE1 4Å; F110-F175 HydrophobicContact CG-CE1 4Å; F110-F175 HydrophobicContact CG-CZ 4.03Å; F110-F175 HydrophobicContact CZ-CZ 4.38Å
111	N	98.5	Very high	97.4	Very high	9 Å²	9	29.3 Å²	29.3	5%	0.048	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	148.7	168	-70.4	100.5	0	0	0	110.5	V58 V66 I67 R69 N147 A149	V58-N111 HydrophobicContact CB-CB 4.47Å; V58-N111 HydrophobicContact CG1-CB 4.38Å; V58-N111 HydrophobicContact CG2-CB 4.32Å; V66-N111 WeakPolarHBondContact CA-O 3.3Å; I67-N111 HydrophobicContact CB-CB 4.49Å; I67-N111 PolarHBondContact N-O 2.9Å; I67-N111 PolarHBondContact O-N 3.3Å; R69-N111 PolarHBondContact NE-OD1 2.82Å; R69-N111 PolarHBondContact NH2-OD1 3.4Å; N111-N147 PolarHBondContact ND2-O 2.97Å; N111-A149 WeakPolarHBondContact ND2-CA 3.32Å; N111-A149 PolarHBondContact ND2-N 2.9Å
112	V	98.3	Very high	97.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.4	166.7	-177.8	0	0	0	0	108.5	N65 F110 E115 V117 M120 P145 R146 Y150	N65-V112 CarbonylContact O-C 3.55Å; N65-V112 VanDerWaalsContact O-CA 3.27Å; N65-V112 WeakPolarHBondContact O-CA 3.37Å; F110-V112 HydrophobicContact CD2-CG2 3.99Å; F110-V112 HydrophobicContact CE2-CG2 3.96Å; V112-E115 WeakPolarHBondContact CG1-O 3.42Å; V112-V117 HydrophobicContact CG1-CG2 3.78Å; V112-M120 HydrophobicContact CG2-SD 4.41Å; V112-P145 HydrophobicContact CG1-CG 4.42Å; V112-P145 WeakPolarHBondContact O-CA 3.26Å; V112-R146 PolarHBondContact O-N 3.45Å; V112-Y150 HydrophobicContact CB-CE2 4.15Å; V112-Y150 HydrophobicContact CG2-CD2 4.11Å; V112-Y150 HydrophobicContact CG2-CE2 4.09Å
113	Q	97.9	Very high	97.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.			trans	-138.8	159.7	179	62.7	175.9	8.7	0	0	111.6	D59 N62 K64 N65 E115	D59-Q113 PolarHBondContact O-NE2 3Å; D59-Q113 PolarHBondContact O-OE1 2.97Å; N62-Q113 PolarHBondContact O-NE2 3.23Å; K64-Q113 PolarHBondContact O-NE2 3.42Å; N65-Q113 WeakPolarHBondContact CA-O 3.18Å; N65-Q113 WeakPolarHBondContact CB-O 3.36Å; N65-Q113 PolarHBondContact O-N 3.31Å; Q113-E115 PolarHBondContact O-N 3.37Å
114	R	97	Very high	97.7	Very high	62 Å²	62	19 Å²	19	23%	0.234	9%	0.093	C	C	.	.	S	Bend	trans	66.1	-63.6	-179.9	-51.8	-179.3	-174.6	93.9	8.5	115.1	I56 I57 D59 N62 P63 K64	I56-R114 PolarHBondContact O-N 2.82Å; I57-R114 HydrophobicContact CG1-CG 4.35Å; D59-R114 PolarHBondContact O-NH2 2.76Å; N62-R114 VanDerWaalsContact O-CZ 3.25Å; N62-R114 PolarHBondContact O-NH1 3.49Å; N62-R114 PolarHBondContact O-NH2 2.98Å; P63-R114 PolarHBondContact O-NH1 2.8Å; P63-R114 VanDerWaalsContact O-NH1 3.15Å; K64-R114 PolarHBondContact O-NH1 2.94Å
115	E	97.1	Very high	97.8	Very high	64 Å²	64	21.4 Å²	21.4	30%	0.299	10%	0.104	S	C	.	.	S	Bend	trans	-125.1	156.7	-173	-61.6	-62.9	162.4	0	0	112.6	S27 V28 V112 Q113 P145	S27-E115 WeakPolarHBondContact CA-OE2 3.35Å; V28-E115 PolarHBondContact N-OE2 2.83Å; V112-E115 WeakPolarHBondContact CG1-O 3.42Å; Q113-E115 PolarHBondContact O-N 3.37Å; E115-P145 WeakPolarHBondContact O-CD 3.44Å; E115-P145 WeakPolarHBondContact O-CG 3.5Å
116	I	96.3	Very high	97.8	Very high	54 Å²	54	19.7 Å²	19.7	28%	0.277	10%	0.097	S	C	.	.			trans	-66.7	136.6	169.1	-64.9	156.3	0	0	0	108.3	V28 I31 L49 P144	V28-I116 HydrophobicContact CG2-CD1 4.1Å; V28-I116 HydrophobicContact CG2-CG1 3.85Å; I31-I116 HydrophobicContact CD1-CD1 3.56Å; L49-I116 HydrophobicContact CD1-CD1 4.43Å; L49-I116 HydrophobicContact CD2-CD1 3.55Å; L49-I116 HydrophobicContact CD2-CG1 4.06Å; I116-P144 HydrophobicContact CG1-CB 4.09Å
117	V	97.2	Very high	97.8	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.024	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.5	176.1	-172.5	0	0	0	0	107.9	N65 V66 V112 M120 S142 Y143 D177 W183	N65-V117 HydrophobicContact CB-CG2 4.05Å; V66-V117 HydrophobicContact CG2-CB 4.17Å; V66-V117 HydrophobicContact CG2-CG1 3.91Å; V66-V117 HydrophobicContact CG2-CG2 3.64Å; V112-V117 HydrophobicContact CG1-CG2 3.78Å; V117-M120 HydrophobicContact CB-CG 4.04Å; V117-M120 HydrophobicContact CB-SD 3.8Å; V117-M120 HydrophobicContact CG1-CG 3.36Å; V117-M120 HydrophobicContact CG1-SD 3.68Å; V117-S142 CarbonylContact O-C 3.54Å; V117-S142 VanDerWaalsContact O-CA 3.23Å; V117-S142 WeakPolarHBondContact O-CA 3.17Å; V117-Y143 PolarHBondContact N-O 2.81Å; V117-Y143 PolarHBondContact O-N 2.87Å; V117-D177 HydrophobicContact CG1-CB 3.99Å; V117-W183 HydrophobicContact CG1-CZ2 4.04Å; V117-W183 HydrophobicContact CG2-CZ2 4.36Å
118	A	96.3	Very high	97.7	Very high	23 Å²	23	24.2 Å²	24.2	19%	0.19	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	136.5	-174.5	0	0	0	0	0	111.8	P23 M120 S142 D177 D178	P23-A118 HydrophobicContact CG-CB 4.33Å; A118-M120 PolarHBondContact O-N 2.85Å; A118-S142 WeakPolarHBondContact CA-OG 3.43Å; A118-D177 WeakPolarHBondContact O-CB 3.48Å; A118-D178 PolarHBondContact O-N 2.82Å
119	G	96.6	Very high	97.5	Very high	3 Å²	3	32.3 Å²	32.3	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.8	39.4	171.4	0	0	0	0	0	114	K121 S142 D177 D178	G119-K121 PolarHBondContact O-N 3.18Å; G119-S142 PolarHBondContact N-OG 2.96Å; G119-D177 WeakPolarHBondContact O-CA 3.35Å; G119-D178 PolarHBondContact O-N 3.46Å
120	M	98.1	Very high	97.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	140.5	174.8	-64.8	176.6	55.8	0	0	110.3	V66 F110 V112 V117 A118 M139 V140 G141 Y143 F175 T176 D177	V66-M120 HydrophobicContact CG1-CE 3.89Å; V66-M120 HydrophobicContact CG2-CE 4.05Å; V66-M120 HydrophobicContact CG2-SD 4.19Å; F110-M120 HydrophobicContact CD2-CE 3.77Å; F110-M120 HydrophobicContact CE2-CE 3.54Å; F110-M120 HydrophobicContact CE2-SD 4.04Å; F110-M120 HydrophobicContact CG-CE 4.47Å; F110-M120 HydrophobicContact CZ-CE 4.08Å; V112-M120 HydrophobicContact CG2-SD 4.41Å; V117-M120 HydrophobicContact CB-CG 4.04Å; V117-M120 HydrophobicContact CB-SD 3.8Å; V117-M120 HydrophobicContact CG1-CG 3.36Å; V117-M120 HydrophobicContact CG1-SD 3.68Å; A118-M120 PolarHBondContact O-N 2.85Å; M120-M139 VanDerWaalsContact O-SD 3.34Å; M120-V140 HydrophobicContact CB-CB 4.04Å; M120-V140 HydrophobicContact CB-CG1 4.41Å; M120-V140 WeakPolarHBondContact O-CA 3.48Å; M120-V140 VanDerWaalsContact O-CB 3.29Å; M120-V140 WeakPolarHBondContact O-CB 2.71Å; M120-V140 PolarHBondContact O-N 3.44Å; M120-G141 WeakPolarHBondContact CA-O 3.45Å; M120-G141 VanDerWaalsContact CB-O 3.26Å; M120-G141 WeakPolarHBondContact CB-O 3.42Å; M120-G141 PolarHBondContact N-O 3.2Å; M120-G141 PolarHBondContact O-N 2.7Å; M120-G141 VanDerWaalsContact O-N 3.09Å; M120-Y143 HydrophobicContact SD-CD2 3.79Å; M120-Y143 HydrophobicContact SD-CG 4.47Å; M120-F175 HydrophobicContact CE-CD1 3.9Å; M120-F175 HydrophobicContact CE-CE1 2.97Å; M120-F175 HydrophobicContact CE-CE2 4.42Å; M120-F175 HydrophobicContact CE-CZ 3.28Å; M120-T176 CarbonylContact C-O 3.5Å; M120-T176 VanDerWaalsContact CA-O 3.31Å; M120-T176 WeakPolarHBondContact CA-O 3.16Å; M120-D177 HydrophobicContact CG-CB 4.41Å
121	K	97.7	Very high	97.1	Very high	51 Å²	51	38.4 Å²	38.4	22%	0.222	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.2	176.4	65.1	-179.4	-175.9	171	0	112.5	G119 V123 E137 Y138 T176	G119-K121 PolarHBondContact O-N 3.18Å; K121-V123 HydrophobicContact CD-CG2 4.41Å; K121-V123 HydrophobicContact CG-CG2 4.35Å; K121-E137 IonicContact NZ-OE2 3.09Å; K121-E137 PolarHBondContact NZ-OE2 3.05Å; K121-Y138 CarbonylContact C-O 3.52Å; K121-Y138 VanDerWaalsContact CA-O 3.24Å; K121-Y138 WeakPolarHBondContact CA-O 3.42Å; K121-Y138 WeakPolarHBondContact CB-O 3.39Å; K121-T176 HydrophobicContact CD-CG2 4.18Å; K121-T176 HydrophobicContact CG-CG2 3.52Å; K121-T176 PolarHBondContact N-O 3.35Å; K121-T176 PolarHBondContact O-N 3.41Å
122	Y	98.5	Very high	97.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.2	170.5	174.2	-123.9	0	0	0	109.1	L106 I108 Q124 E137 Y138 T154 S173 F175 W186	L106-Y122 HydrophobicContact CD1-CE1 4.09Å; I108-Y122 HydrophobicContact CD1-CD1 3.79Å; I108-Y122 HydrophobicContact CD1-CD2 3.59Å; I108-Y122 HydrophobicContact CD1-CE1 4.34Å; I108-Y122 HydrophobicContact CD1-CE2 4.13Å; I108-Y122 HydrophobicContact CD1-CG 3.4Å; I108-Y122 VanDerWaalsContact CD1-CG 3.4Å; Y122-Q124 HydrophobicContact CE1-CB 3.91Å; Y122-Q124 PolarHBondContact OH-OE1 2.92Å; Y122-Q124 VanDerWaalsContact OH-OE1 3.1Å; Y122-E137 CarbonylContact O-C 3.49Å; Y122-E137 WeakPolarHBondContact O-CA 3.29Å; Y122-Y138 AromaticContact CD1-CD2 3.47Å; Y122-Y138 HydrophobicContact CD1-CD2 3.47Å; Y122-Y138 VanDerWaalsContact CD1-CD2 3.47Å; Y122-Y138 AromaticContact CD1-CE2 3.91Å; Y122-Y138 HydrophobicContact CD1-CE2 3.91Å; Y122-Y138 HydrophobicContact CD1-CG 4.43Å; Y122-Y138 HydrophobicContact CE1-CD2 4.14Å; Y122-Y138 HydrophobicContact CE1-CE2 4.1Å; Y122-Y138 HydrophobicContact CG-CD2 4.36Å; Y122-Y138 PolarHBondContact N-O 3.37Å; Y122-Y138 PolarHBondContact O-N 2.99Å; Y122-T154 HydrophobicContact CD1-CG2 4.43Å; Y122-S173 PolarHBondContact OH-OG 3.33Å; Y122-F175 HydrophobicContact CD2-CD2 4.46Å; Y122-W186 HydrophobicContact CD2-CH2 4.35Å; Y122-W186 AromaticContact CE2-CH2 3.9Å; Y122-W186 HydrophobicContact CE2-CH2 3.9Å; Y122-W186 HydrophobicContact CE2-CZ2 4.17Å
123	V	98	Very high	96.9	Very high	10 Å²	10	42.3 Å²	42.3	6%	0.061	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.1	176.5	-176.7	0	0	0	0	108.4	K121 D136 E137 S173 L174 T176	K121-V123 HydrophobicContact CD-CG2 4.41Å; K121-V123 HydrophobicContact CG-CG2 4.35Å; V123-D136 WeakPolarHBondContact CA-O 3.29Å; V123-E137 HydrophobicContact CB-CG 4.46Å; V123-E137 HydrophobicContact CG1-CG 4.1Å; V123-E137 HydrophobicContact CG2-CG 4Å; V123-S173 WeakPolarHBondContact O-CA 3.28Å; V123-L174 HydrophobicContact CB-CB 4.25Å; V123-L174 PolarHBondContact N-O 3.3Å; V123-L174 PolarHBondContact O-N 3.27Å; V123-T176 HydrophobicContact CG2-CG2 4.21Å
124	Q	97.8	Very high	96.8	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.037	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.1	178.1	-179.7	171.1	-88.4	0	0	109.2	Y122 V126 K135 D136 Y138 V171	Y122-Q124 HydrophobicContact CE1-CB 3.91Å; Y122-Q124 PolarHBondContact OH-OE1 2.92Å; Y122-Q124 VanDerWaalsContact OH-OE1 3.1Å; Q124-V126 HydrophobicContact CG-CG2 4.07Å; Q124-K135 CarbonylContact O-C 3.57Å; Q124-K135 WeakPolarHBondContact O-CA 3.38Å; Q124-D136 HydrophobicContact CB-CB 4.4Å; Q124-D136 PolarHBondContact N-O 2.8Å; Q124-D136 PolarHBondContact O-N 3.44Å; Q124-Y138 HydrophobicContact CB-CE2 4.38Å; Q124-V171 HydrophobicContact CG-CG1 3.66Å
125	K	98.2	Very high	96.8	Very high	74 Å²	74	42.6 Å²	42.6	32%	0.322	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.3	171.7	-64.6	179.8	-178.4	-176.2	0	109	Y127 K135 V171 K172	K125-Y127 HydrophobicContact CB-CD2 4.42Å; K125-Y127 HydrophobicContact CB-CE2 3.59Å; K125-K135 HydrophobicContact CG-CB 4.49Å; K125-K135 HydrophobicContact CG-CG 4.12Å; K125-V171 WeakPolarHBondContact O-CA 3.41Å; K125-K172 HydrophobicContact CB-CB 4.38Å; K125-K172 PolarHBondContact N-O 2.88Å; K125-K172 PolarHBondContact O-N 3.19Å
126	V	97.5	Very high	96.7	Very high	13 Å²	13	40 Å²	40	8%	0.079	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131	-177.5	-174.3	0	0	0	0	109.1	Q124 Q132 V133 S134 Y169 V171	Q124-V126 HydrophobicContact CG-CG2 4.07Å; V126-Q132 CarbonylContact O-C 3.54Å; V126-Q132 WeakPolarHBondContact O-CA 3.24Å; V126-V133 HydrophobicContact CB-CG2 4.11Å; V126-V133 HydrophobicContact CG1-CG2 3.86Å; V126-V133 WeakPolarHBondContact O-CG2 3.45Å; V126-V133 PolarHBondContact O-N 3.39Å; V126-S134 WeakPolarHBondContact CB-OG 3.09Å; V126-S134 WeakPolarHBondContact CG2-OG 3.27Å; V126-S134 PolarHBondContact N-O 3.09Å; V126-S134 PolarHBondContact O-N 2.79Å; V126-Y169 HydrophobicContact CG1-CD1 3.69Å; V126-Y169 HydrophobicContact CG1-CG 4.13Å; V126-V171 HydrophobicContact CG2-CG2 4.4Å
127	Y	98	Very high	96.7	Very high	45 Å²	45	39 Å²	39	18%	0.176	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.2	-178.8	-64.1	-98.9	0	0	0	110.5	K125 V131 Q132 Y169 K170 K172	K125-Y127 HydrophobicContact CB-CD2 4.42Å; K125-Y127 HydrophobicContact CB-CE2 3.59Å; Y127-V131 CarbonylContact C-O 3.57Å; Y127-V131 WeakPolarHBondContact CA-O 3.37Å; Y127-Q132 HydrophobicContact CD1-CB 3.85Å; Y127-Q132 HydrophobicContact CD1-CG 4.42Å; Y127-Q132 HydrophobicContact CE1-CB 3.55Å; Y127-Q132 HydrophobicContact CE1-CG 3.99Å; Y127-Q132 HydrophobicContact CE2-CG 4.5Å; Y127-Q132 PolarHBondContact OH-OE1 3.31Å; Y127-Y169 CarbonylContact O-C 3.57Å; Y127-Y169 VanDerWaalsContact O-CA 3.32Å; Y127-Y169 WeakPolarHBondContact O-CA 3.4Å; Y127-K170 WeakPolarHBondContact CB-O 3.44Å; Y127-K170 PolarHBondContact N-O 3.04Å; Y127-K170 PolarHBondContact O-N 3.07Å; Y127-K172 HydrophobicContact CD2-CD 4.3Å; Y127-K172 HydrophobicContact CD2-CG 4.01Å; Y127-K172 HydrophobicContact CE2-CB 4.21Å; Y127-K172 HydrophobicContact CE2-CD 3.65Å; Y127-K172 HydrophobicContact CE2-CG 3.68Å
128	R	96.2	Very high	96.7	Very high	76 Å²	76	39.3 Å²	39.3	29%	0.287	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.6	171.4	-164.7	-174.6	-173.4	-171.3	6.8	109.3	G130 V131 V133 M164 R166 Y169	R128-G130 PolarHBondContact O-N 3.19Å; R128-G130 VanDerWaalsContact O-N 3.12Å; R128-V131 PolarHBondContact N-O 3.22Å; R128-V131 PolarHBondContact O-N 3.3Å; R128-V133 HydrophobicContact CB-CG1 3.92Å; R128-V133 HydrophobicContact CB-CG2 4.49Å; R128-M164 PolarHBondContact NH1-O 2.9Å; R128-M164 PolarHBondContact NH2-O 3.44Å; R128-R166 PolarHBondContact NH2-O 3.32Å; R128-Y169 HydrophobicContact CB-CD1 3.81Å; R128-Y169 HydrophobicContact CB-CE1 3.84Å; R128-Y169 HydrophobicContact CG-CD1 4.08Å; R128-Y169 HydrophobicContact CG-CE1 3.91Å
129	L	94.2	Very high	96.7	Very high	169 Å²	169	43.5 Å²	43.5	89%	0.885	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	38.2	-176.8	-58.1	175.3	0	0	0	112.8	V131	L129-V131 VanDerWaalsContact C-N 3.29Å; L129-V131 PolarHBondContact O-N 3.16Å
130	G	93.5	Very high	96.8	Very high	70 Å²	70	43.8 Å²	43.8	72%	0.722	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.2	-8.7	-179.7	0	0	0	0	0	115.8	R128	R128-G130 PolarHBondContact O-N 3.19Å; R128-G130 VanDerWaalsContact O-N 3.12Å
131	V	96.2	Very high	96.7	Very high	72 Å²	72	44.7 Å²	44.7	44%	0.436	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.6	179.2	-175.6	0	0	0	0	110	V7 Y127 R128 L129 V133	V7-V131 HydrophobicContact CB-CG1 4.19Å; V7-V131 HydrophobicContact CG1-CG1 3.87Å; V7-V131 HydrophobicContact CG2-CG1 4.35Å; Y127-V131 CarbonylContact C-O 3.57Å; Y127-V131 WeakPolarHBondContact CA-O 3.37Å; R128-V131 PolarHBondContact N-O 3.22Å; R128-V131 PolarHBondContact O-N 3.3Å; L129-V131 VanDerWaalsContact C-N 3.29Å; L129-V131 PolarHBondContact O-N 3.16Å; V131-V133 PolarHBondContact O-N 2.94Å
132	Q	97.5	Very high	96.7	Very high	50 Å²	50	45.8 Å²	45.8	23%	0.234	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	124.1	173.5	-166.4	-177.1	-59.5	0	0	109.1	T9 V126 Y127	T9-Q132 WeakPolarHBondContact CG2-O 3.24Å; V126-Q132 CarbonylContact O-C 3.54Å; V126-Q132 WeakPolarHBondContact O-CA 3.24Å; Y127-Q132 HydrophobicContact CD1-CB 3.85Å; Y127-Q132 HydrophobicContact CD1-CG 4.42Å; Y127-Q132 HydrophobicContact CE1-CB 3.55Å; Y127-Q132 HydrophobicContact CE1-CG 3.99Å; Y127-Q132 HydrophobicContact CE2-CG 4.5Å; Y127-Q132 PolarHBondContact OH-OE1 3.31Å
133	V	95.9	Very high	96.6	Very high	41 Å²	41	47.9 Å²	47.9	25%	0.248	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-28.9	-179	-65.6	0	0	0	0	112.6	Q10 V126 R128 V131 Y169	Q10-V133 PolarHBondContact N-O 3.03Å; V126-V133 HydrophobicContact CB-CG2 4.11Å; V126-V133 HydrophobicContact CG1-CG2 3.86Å; V126-V133 WeakPolarHBondContact O-CG2 3.45Å; V126-V133 PolarHBondContact O-N 3.39Å; R128-V133 HydrophobicContact CB-CG1 3.92Å; R128-V133 HydrophobicContact CB-CG2 4.49Å; V131-V133 PolarHBondContact O-N 2.94Å; V133-Y169 HydrophobicContact CG2-CD1 4.18Å; V133-Y169 HydrophobicContact CG2-CE1 4.16Å
134	S	95.2	Very high	96.6	Very high	16 Å²	16	48.4 Å²	48.4	11%	0.112	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	160.2	173	78.2	0	0	0	0	112.1	Q10 V126 D136	Q10-S134 WeakPolarHBondContact O-CA 3.43Å; V126-S134 WeakPolarHBondContact CB-OG 3.09Å; V126-S134 WeakPolarHBondContact CG2-OG 3.27Å; V126-S134 PolarHBondContact N-O 3.09Å; V126-S134 PolarHBondContact O-N 2.79Å; S134-D136 PolarHBondContact OG-OD2 3.16Å
135	K	96.6	Very high	96.6	Very high	52 Å²	52	48.1 Å²	48.1	23%	0.226	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	130.9	166.6	178	-171.7	172.7	-142.3	0	108.7	Q10 Q124 K125 E137	Q10-K135 PolarHBondContact O-N 3.3Å; Q124-K135 CarbonylContact O-C 3.57Å; Q124-K135 WeakPolarHBondContact O-CA 3.38Å; K125-K135 HydrophobicContact CG-CB 4.49Å; K125-K135 HydrophobicContact CG-CG 4.12Å; K135-E137 WeakPolarHBondContact CE-OE1 3.4Å; K135-E137 IonicContact NZ-OE1 2.7Å; K135-E137 PolarHBondContact NZ-OE1 2.7Å
136	D	96.1	Very high	96.5	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.043	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.2	178.5	-53	-75.3	0	0	0	109.5	N12 V123 Q124 S134 Y138	N12-D136 VanDerWaalsContact CB-OD1 3.26Å; N12-D136 WeakPolarHBondContact CB-OD1 3.45Å; N12-D136 PolarHBondContact ND2-OD1 3.22Å; V123-D136 WeakPolarHBondContact CA-O 3.29Å; Q124-D136 HydrophobicContact CB-CB 4.4Å; Q124-D136 PolarHBondContact N-O 2.8Å; Q124-D136 PolarHBondContact O-N 3.44Å; S134-D136 PolarHBondContact OG-OD2 3.16Å; D136-Y138 HydrophobicContact CB-CD2 4.49Å; D136-Y138 HydrophobicContact CB-CE2 3.58Å; D136-Y138 WeakPolarHBondContact CB-OH 3.48Å
137	E	96.3	Very high	96.5	Very high	33 Å²	33	52.7 Å²	52.7	15%	0.154	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	108.7	177.5	-68	-163.4	-164.6	0	0	109.2	H13 H16 K121 Y122 V123 K135	H13-E137 PolarHBondContact CD2-N 2.65Å; H13-E137 VanDerWaalsContact CD2-N 3.31Å; H13-E137 PolarHBondContact CD2-O 2.98Å; H13-E137 PolarHBondContact NE2-O 2.73Å; H13-E137 VanDerWaalsContact NE2-O 3.16Å; H16-E137 IonicContact CE1-OE2 3.76Å; H16-E137 IonicContact NE2-OE2 2.69Å; H16-E137 PolarHBondContact NE2-OE2 2.89Å; H16-E137 VanDerWaalsContact NE2-OE2 3.09Å; K121-E137 IonicContact NZ-OE2 3.09Å; K121-E137 PolarHBondContact NZ-OE2 3.05Å; Y122-E137 CarbonylContact O-C 3.49Å; Y122-E137 WeakPolarHBondContact O-CA 3.29Å; V123-E137 HydrophobicContact CB-CG 4.46Å; V123-E137 HydrophobicContact CG1-CG 4.1Å; V123-E137 HydrophobicContact CG2-CG 4Å; K135-E137 WeakPolarHBondContact CE-OE1 3.4Å; K135-E137 IonicContact NZ-OE1 2.7Å; K135-E137 PolarHBondContact NZ-OE1 2.7Å
138	Y	96.8	Very high	96.4	Very high	12 Å²	12	56.5 Å²	56.5	5%	0.047	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.3	179.5	-48.4	-92.3	0	0	0	109.5	K121 Y122 Q124 D136 V140 T154 P155 E157	K121-Y138 CarbonylContact C-O 3.52Å; K121-Y138 VanDerWaalsContact CA-O 3.24Å; K121-Y138 WeakPolarHBondContact CA-O 3.42Å; K121-Y138 WeakPolarHBondContact CB-O 3.39Å; Y122-Y138 AromaticContact CD1-CD2 3.47Å; Y122-Y138 HydrophobicContact CD1-CD2 3.47Å; Y122-Y138 VanDerWaalsContact CD1-CD2 3.47Å; Y122-Y138 AromaticContact CD1-CE2 3.91Å; Y122-Y138 HydrophobicContact CD1-CE2 3.91Å; Y122-Y138 HydrophobicContact CD1-CG 4.43Å; Y122-Y138 HydrophobicContact CE1-CD2 4.14Å; Y122-Y138 HydrophobicContact CE1-CE2 4.1Å; Y122-Y138 HydrophobicContact CG-CD2 4.36Å; Y122-Y138 PolarHBondContact N-O 3.37Å; Y122-Y138 PolarHBondContact O-N 2.99Å; Q124-Y138 HydrophobicContact CB-CE2 4.38Å; D136-Y138 HydrophobicContact CB-CD2 4.49Å; D136-Y138 HydrophobicContact CB-CE2 3.58Å; D136-Y138 WeakPolarHBondContact CB-OH 3.48Å; Y138-V140 PolarHBondContact O-N 2.89Å; Y138-T154 HydrophobicContact CD1-CG2 4Å; Y138-T154 HydrophobicContact CD2-CG2 4.12Å; Y138-T154 HydrophobicContact CE1-CG2 4.06Å; Y138-T154 HydrophobicContact CE2-CG2 4.19Å; Y138-T154 HydrophobicContact CG-CG2 4.01Å; Y138-P155 HydrophobicContact CD1-CG 4.48Å; Y138-E157 WeakPolarHBondContact CE1-OE1 3.42Å; Y138-E157 VanDerWaalsContact CZ-OE1 3.3Å; Y138-E157 PolarHBondContact OH-OE1 2.8Å
139	M	96.4	Very high	96.5	Very high	110 Å²	110	54.6 Å²	54.6	54%	0.542	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	119.1	169.2	179.6	57.5	68.6	0	0	109.1	M120	M120-M139 VanDerWaalsContact O-SD 3.34Å
140	V	97.9	Very high	96.7	Very high	9 Å²	9	47.7 Å²	47.7	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-39.3	179.6	-179.1	0	0	0	0	109.7	F110 M120 Y138 Y143 F152 F175	F110-V140 HydrophobicContact CE1-CG1 4.08Å; F110-V140 HydrophobicContact CZ-CG1 3.94Å; M120-V140 HydrophobicContact CB-CB 4.04Å; M120-V140 HydrophobicContact CB-CG1 4.41Å; M120-V140 WeakPolarHBondContact O-CA 3.48Å; M120-V140 VanDerWaalsContact O-CB 3.29Å; M120-V140 WeakPolarHBondContact O-CB 2.71Å; M120-V140 PolarHBondContact O-N 3.44Å; Y138-V140 PolarHBondContact O-N 2.89Å; V140-Y143 HydrophobicContact CB-CE2 4.49Å; V140-Y143 HydrophobicContact CG1-CE2 3.66Å; V140-Y143 VanDerWaalsContact O-CE2 3.29Å; V140-Y143 WeakPolarHBondContact O-CE2 3.23Å; V140-Y143 PolarHBondContact O-OH 2.83Å; V140-F152 HydrophobicContact CB-CD2 4.17Å; V140-F152 HydrophobicContact CB-CE2 4.43Å; V140-F152 HydrophobicContact CB-CG 4.27Å; V140-F152 HydrophobicContact CG1-CB 3.77Å; V140-F152 HydrophobicContact CG1-CD1 4.39Å; V140-F152 HydrophobicContact CG1-CD2 3.82Å; V140-F152 HydrophobicContact CG1-CG 3.72Å; V140-F152 HydrophobicContact CG2-CD1 3.86Å; V140-F152 HydrophobicContact CG2-CD2 4.22Å; V140-F152 HydrophobicContact CG2-CE1 3.95Å; V140-F152 HydrophobicContact CG2-CE2 4.31Å; V140-F152 HydrophobicContact CG2-CG 3.99Å; V140-F152 HydrophobicContact CG2-CZ 4.18Å; V140-F175 HydrophobicContact CG1-CE2 4.49Å; V140-F175 HydrophobicContact CG1-CZ 4.31Å; V140-F175 HydrophobicContact CG2-CE2 3.86Å; V140-F175 HydrophobicContact CG2-CZ 4.45Å
141	G	96.9	Very high	97	Very high	19 Å²	19	48 Å²	48	20%	0.196	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.1	-164.3	175	0	0	0	0	0	113.9	M120	M120-G141 WeakPolarHBondContact CA-O 3.45Å; M120-G141 VanDerWaalsContact CB-O 3.26Å; M120-G141 WeakPolarHBondContact CB-O 3.42Å; M120-G141 PolarHBondContact N-O 3.2Å; M120-G141 PolarHBondContact O-N 2.7Å; M120-G141 VanDerWaalsContact O-N 3.09Å
142	S	96.8	Very high	97.1	Very high	75 Å²	75	45.8 Å²	45.8	52%	0.524	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.5	-178.3	-57.7	0	0	0	0	110.6	V117 A118 G119	V117-S142 CarbonylContact O-C 3.54Å; V117-S142 VanDerWaalsContact O-CA 3.23Å; V117-S142 WeakPolarHBondContact O-CA 3.17Å; A118-S142 WeakPolarHBondContact CA-OG 3.43Å; G119-S142 PolarHBondContact N-OG 2.96Å
143	Y	97.2	Very high	97.1	Very high	44 Å²	44	49.4 Å²	49.4	17%	0.173	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129	-170.4	-66.5	-88.5	0	0	0	111.4	F110 V117 M120 V140 Y150	F110-Y143 HydrophobicContact CE2-CD1 4.47Å; F110-Y143 HydrophobicContact CE2-CD2 4.14Å; F110-Y143 HydrophobicContact CE2-CG 4.11Å; F110-Y143 HydrophobicContact CZ-CD1 4.36Å; F110-Y143 HydrophobicContact CZ-CD2 4.06Å; F110-Y143 HydrophobicContact CZ-CE1 4.25Å; F110-Y143 HydrophobicContact CZ-CE2 4.01Å; F110-Y143 HydrophobicContact CZ-CG 4.24Å; V117-Y143 PolarHBondContact N-O 2.81Å; V117-Y143 PolarHBondContact O-N 2.87Å; M120-Y143 HydrophobicContact SD-CD2 3.79Å; M120-Y143 HydrophobicContact SD-CG 4.47Å; V140-Y143 HydrophobicContact CB-CE2 4.49Å; V140-Y143 HydrophobicContact CG1-CE2 3.66Å; V140-Y143 VanDerWaalsContact O-CE2 3.29Å; V140-Y143 WeakPolarHBondContact O-CE2 3.23Å; V140-Y143 PolarHBondContact O-OH 2.83Å; Y143-Y150 AromaticContact CD1-CD1 3.35Å; Y143-Y150 HydrophobicContact CD1-CD1 3.35Å; Y143-Y150 HydrophobicContact CD1-CD2 4.1Å; Y143-Y150 AromaticContact CD1-CE1 3.45Å; Y143-Y150 HydrophobicContact CD1-CE1 3.45Å; Y143-Y150 VanDerWaalsContact CD1-CE1 3.45Å; Y143-Y150 HydrophobicContact CD1-CE2 4.17Å; Y143-Y150 AromaticContact CD1-CG 3.7Å; Y143-Y150 HydrophobicContact CD1-CG 3.7Å; Y143-Y150 AromaticContact CD1-CZ 3.86Å; Y143-Y150 AromaticContact CE1-CD1 3.65Å; Y143-Y150 HydrophobicContact CE1-CD1 3.65Å; Y143-Y150 HydrophobicContact CE1-CE1 4.09Å; Y143-Y150 HydrophobicContact CE1-CG 4.11Å; Y143-Y150 HydrophobicContact CG-CD1 4.44Å; Y143-Y150 HydrophobicContact CG-CE1 4.48Å; Y143-Y150 HydrophobicContact CG-CG 4.46Å
144	P	97.4	Very high	97.2	Very high	21 Å²	21	47.5 Å²	47.5	14%	0.136	24%	0.243	C	C	.	.			trans	-79.6	161.1	170.7	33.4	-34.5	0	0	0	111.4	L49 V53 I116 R146 Y150	L49-P144 HydrophobicContact CD2-CB 3.77Å; L49-P144 HydrophobicContact CD2-CG 4.45Å; V53-P144 HydrophobicContact CG2-CB 4.32Å; I116-P144 HydrophobicContact CG1-CB 4.09Å; P144-R146 PolarHBondContact O-N 2.63Å; P144-Y150 WeakPolarHBondContact CD-OH 3.39Å; P144-Y150 WeakPolarHBondContact O-CE2 3.48Å; P144-Y150 PolarHBondContact O-OH 3.26Å
145	P	98	Very high	97.2	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	26%	0.263	C	S	.	.			trans	-54.2	133.4	167.8	-26	34.8	0	0	0	112.4	V28 V53 I56 V112 E115	V28-P145 HydrophobicContact CG2-CG 4.33Å; V53-P145 HydrophobicContact CG2-CB 4.04Å; V53-P145 HydrophobicContact CG2-CG 4.04Å; I56-P145 HydrophobicContact CB-CB 3.65Å; I56-P145 HydrophobicContact CG1-CB 4.19Å; I56-P145 HydrophobicContact CG2-CB 3.9Å; V112-P145 HydrophobicContact CG1-CG 4.42Å; V112-P145 WeakPolarHBondContact O-CA 3.26Å; E115-P145 WeakPolarHBondContact O-CD 3.44Å; E115-P145 WeakPolarHBondContact O-CG 3.5Å
146	R	96.9	Very high	97.2	Very high	86 Å²	86	52 Å²	52	33%	0.325	28%	0.275	S	S	.	.			trans	-151.5	163.1	166.2	77.3	176.7	-176	-173.3	5.2	111.4	I56 V112 P144 E148 A149 Y150	I56-R146 VanDerWaalsContact CG2-C 3.47Å; V112-R146 PolarHBondContact O-N 3.45Å; P144-R146 PolarHBondContact O-N 2.63Å; R146-E148 WeakPolarHBondContact CG-O 3.5Å; R146-E148 PolarHBondContact NE-O 3.01Å; R146-A149 PolarHBondContact NH2-O 2.76Å; R146-Y150 WeakPolarHBondContact CD-OH 3.31Å; R146-Y150 HydrophobicContact CG-CD2 4.41Å; R146-Y150 HydrophobicContact CG-CE1 4.4Å; R146-Y150 HydrophobicContact CG-CE2 3.61Å; R146-Y150 VanDerWaalsContact NE-CE1 3.27Å; R146-Y150 VanDerWaalsContact NE-CZ 3.33Å; R146-Y150 VanDerWaalsContact NH2-CD1 3.25Å
147	N	96.2	Very high	97.1	Very high	98 Å²	98	53.4 Å²	53.4	52%	0.524	28%	0.281	S	S	.	.	S	Bend	trans	-69.4	-42.4	-179.5	-68.6	-49.1	0	0	0	112.3	N111	N111-N147 PolarHBondContact ND2-O 2.97Å
148	E	97	Very high	97	Very high	125 Å²	125	56.1 Å²	56.1	58%	0.584	30%	0.3	S	S	*	.	S	Bend	trans	-77.1	143.2	-178.1	-58.4	74.9	-162.4	0	0	112	R146	R146-E148 WeakPolarHBondContact CG-O 3.5Å; R146-E148 PolarHBondContact NE-O 3.01Å
149	A	98.1	Very high	96.9	Very high	36 Å²	36	55.6 Å²	55.6	30%	0.298	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-65.1	142.9	175	0	0	0	0	0	111.4	C109 F110 N111 R146	C109-A149 VanDerWaalsContact SG-CB 3.53Å; F110-A149 CarbonylContact O-C 3.57Å; F110-A149 WeakPolarHBondContact O-CA 3.41Å; N111-A149 WeakPolarHBondContact ND2-CA 3.32Å; N111-A149 PolarHBondContact ND2-N 2.9Å; R146-A149 PolarHBondContact NH2-O 2.76Å
150	Y	98.6	Very high	96.8	Very high	23 Å²	23	52.7 Å²	52.7	9%	0.09	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	152.7	165.2	-65.6	-82	0	0	0	110.2	C109 F110 V112 Y143 P144 R146	C109-Y150 WeakPolarHBondContact CA-O 3.36Å; F110-Y150 HydrophobicContact CD2-CD2 4.38Å; F110-Y150 AromaticContact CE2-CD2 3.97Å; F110-Y150 HydrophobicContact CE2-CD2 3.97Å; F110-Y150 HydrophobicContact CE2-CG 4.05Å; F110-Y150 VanDerWaalsContact CZ-CB 3.44Å; F110-Y150 HydrophobicContact CZ-CG 4.2Å; F110-Y150 PolarHBondContact N-O 2.86Å; F110-Y150 PolarHBondContact O-N 3.15Å; V112-Y150 HydrophobicContact CB-CE2 4.15Å; V112-Y150 HydrophobicContact CG2-CD2 4.11Å; V112-Y150 HydrophobicContact CG2-CE2 4.09Å; Y143-Y150 AromaticContact CD1-CD1 3.35Å; Y143-Y150 HydrophobicContact CD1-CD1 3.35Å; Y143-Y150 HydrophobicContact CD1-CD2 4.1Å; Y143-Y150 AromaticContact CD1-CE1 3.45Å; Y143-Y150 HydrophobicContact CD1-CE1 3.45Å; Y143-Y150 VanDerWaalsContact CD1-CE1 3.45Å; Y143-Y150 HydrophobicContact CD1-CE2 4.17Å; Y143-Y150 AromaticContact CD1-CG 3.7Å; Y143-Y150 HydrophobicContact CD1-CG 3.7Å; Y143-Y150 AromaticContact CD1-CZ 3.86Å; Y143-Y150 AromaticContact CE1-CD1 3.65Å; Y143-Y150 HydrophobicContact CE1-CD1 3.65Å; Y143-Y150 HydrophobicContact CE1-CE1 4.09Å; Y143-Y150 HydrophobicContact CE1-CG 4.11Å; Y143-Y150 HydrophobicContact CG-CD1 4.44Å; Y143-Y150 HydrophobicContact CG-CE1 4.48Å; Y143-Y150 HydrophobicContact CG-CG 4.46Å; P144-Y150 WeakPolarHBondContact CD-OH 3.39Å; P144-Y150 WeakPolarHBondContact O-CE2 3.48Å; P144-Y150 PolarHBondContact O-OH 3.26Å; R146-Y150 WeakPolarHBondContact CD-OH 3.31Å; R146-Y150 HydrophobicContact CG-CD2 4.41Å; R146-Y150 HydrophobicContact CG-CE1 4.4Å; R146-Y150 HydrophobicContact CG-CE2 3.61Å; R146-Y150 VanDerWaalsContact NE-CE1 3.27Å; R146-Y150 VanDerWaalsContact NE-CZ 3.33Å; R146-Y150 VanDerWaalsContact NH2-CD1 3.25Å
151	V	98.5	Very high	96.6	Very high	76 Å²	76	54.6 Å²	54.6	46%	0.461	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.1	177.4	176.9	0	0	0	0	107.3	E107	E107-V151 HydrophobicContact CG-CG1 3.34Å; E107-V151 WeakPolarHBondContact OE2-CG1 3.46Å
152	F	98.5	Very high	96.5	Very high	27 Å²	27	55.1 Å²	55.1	12%	0.118	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.7	172	170.4	-98.7	0	0	0	109	E107 I108 F110 V140 T154	E107-F152 CarbonylContact C-O 3.53Å; E107-F152 VanDerWaalsContact CA-O 3.31Å; E107-F152 WeakPolarHBondContact CA-O 3.37Å; I108-F152 HydrophobicContact CD1-CD1 4.4Å; I108-F152 PolarHBondContact N-O 3.05Å; I108-F152 PolarHBondContact O-N 3.01Å; F110-F152 HydrophobicContact CE1-CB 4.06Å; V140-F152 HydrophobicContact CB-CD2 4.17Å; V140-F152 HydrophobicContact CB-CE2 4.43Å; V140-F152 HydrophobicContact CB-CG 4.27Å; V140-F152 HydrophobicContact CG1-CB 3.77Å; V140-F152 HydrophobicContact CG1-CD1 4.39Å; V140-F152 HydrophobicContact CG1-CD2 3.82Å; V140-F152 HydrophobicContact CG1-CG 3.72Å; V140-F152 HydrophobicContact CG2-CD1 3.86Å; V140-F152 HydrophobicContact CG2-CD2 4.22Å; V140-F152 HydrophobicContact CG2-CE1 3.95Å; V140-F152 HydrophobicContact CG2-CE2 4.31Å; V140-F152 HydrophobicContact CG2-CG 3.99Å; V140-F152 HydrophobicContact CG2-CZ 4.18Å; F152-T154 HydrophobicContact CE1-CG2 4.04Å
153	R	98.1	Very high	96.2	Very high	126 Å²	126	58 Å²	58	48%	0.475	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.4	172.7	-68.1	-178.7	179.3	-177.6	-5.4	109.7	L106 E107	L106-R153 CarbonylContact O-C 3.5Å; L106-R153 VanDerWaalsContact O-CA 3.31Å; L106-R153 WeakPolarHBondContact O-CA 3.36Å; E107-R153 HydrophobicContact CB-CG 4.09Å; E107-R153 HydrophobicContact CG-CG 3.98Å; E107-R153 IonicContact OE2-CZ 3.13Å; E107-R153 IonicContact OE2-NE 2.67Å; E107-R153 PolarHBondContact OE2-NE 2.96Å; E107-R153 IonicContact OE2-NH2 2.73Å; E107-R153 PolarHBondContact OE2-NH2 3.35Å
154	T	97.5	Very high	96	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.006	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-63.4	159.8	169.3	62.3	0	0	0	0	110.1	Q105 L106 Y122 Y138 F152	Q105-T154 PolarHBondContact NE2-O 2.74Å; L106-T154 HydrophobicContact CB-CG2 3.92Å; L106-T154 PolarHBondContact N-OG1 3.4Å; L106-T154 PolarHBondContact O-N 3.39Å; Y122-T154 HydrophobicContact CD1-CG2 4.43Å; Y138-T154 HydrophobicContact CD1-CG2 4Å; Y138-T154 HydrophobicContact CD2-CG2 4.12Å; Y138-T154 HydrophobicContact CE1-CG2 4.06Å; Y138-T154 HydrophobicContact CE2-CG2 4.19Å; Y138-T154 HydrophobicContact CG-CG2 4.01Å; F152-T154 HydrophobicContact CE1-CG2 4.04Å
155	P	96.3	Very high	95.9	Very high	82 Å²	82	66.2 Å²	66.2	53%	0.532	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-52.7	154.7	164.4	-23.8	35	0	0	0	111.4	Y138 E157	Y138-P155 HydrophobicContact CD1-CG 4.48Å; P155-E157 PolarHBondContact O-N 2.97Å
156	T	95.7	Very high	95.8	Very high	79 Å²	79	69.5 Å²	69.5	49%	0.485	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-64.1	126.2	173.3	-55.5	0	0	0	0	110.2	Q103	Q103-T156 HydrophobicContact CB-CG2 3.9Å; Q103-T156 HydrophobicContact CG-CG2 4.19Å
157	E	93.7	Very high	95.7	Very high	38 Å²	38	67 Å²	67	18%	0.178	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	157.1	176.5	-76.3	173.4	-159.3	0	0	110.8	Q103 Y104 Y138 P155	Q103-E157 CarbonylContact C-O 3.57Å; Q103-E157 VanDerWaalsContact CA-O 3.25Å; Q103-E157 WeakPolarHBondContact CA-O 3.21Å; Y104-E157 HydrophobicContact CD1-CB 4.33Å; Y104-E157 HydrophobicContact CE1-CB 3.81Å; Y104-E157 HydrophobicContact CE2-CB 4.02Å; Y104-E157 WeakPolarHBondContact CE2-OE2 3.12Å; Y104-E157 VanDerWaalsContact CZ-OE2 3.25Å; Y104-E157 PolarHBondContact N-O 2.99Å; Y104-E157 PolarHBondContact O-N 3.25Å; Y104-E157 PolarHBondContact OH-OE2 3.27Å; Y138-E157 WeakPolarHBondContact CE1-OE1 3.42Å; Y138-E157 VanDerWaalsContact CZ-OE1 3.3Å; Y138-E157 PolarHBondContact OH-OE1 2.8Å; P155-E157 PolarHBondContact O-N 2.97Å
158	V	94.8	Very high	95.8	Very high	90 Å²	90	65.9 Å²	65.9	55%	0.545	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.9	173.6	-178.4	0	0	0	0	108.1	C102 Q103	C102-V158 WeakPolarHBondContact O-CA 3.5Å; Q103-V158 HydrophobicContact CG-CG2 4.16Å
159	A	94.8	Very high	95.8	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.008	34%	0.343	C	S	.	.			trans	-60.7	133.3	175.9	0	0	0	0	0	110.4	I98 K99 D101 C102 Y104	I98-A159 HydrophobicContact CD1-CB 3.73Å; I98-A159 HydrophobicContact CG1-CB 4.42Å; K99-A159 WeakPolarHBondContact O-CB 3.19Å; D101-A159 WeakPolarHBondContact CA-O 3.23Å; D101-A159 PolarHBondContact N-O 2.94Å; C102-A159 PolarHBondContact O-N 3.35Å; Y104-A159 HydrophobicContact CD1-CB 4.33Å; Y104-A159 HydrophobicContact CE1-CB 4.14Å
160	P	94.6	Very high	95.8	Very high	49 Å²	49	63 Å²	63	32%	0.318	35%	0.346	S	S	.	.			trans	-64.9	152.2	178	29.5	-36.5	0	0	0	110.9	E100 H165 I192	E100-P160 WeakPolarHBondContact CB-O 3.33Å; P160-H165 HydrophobicContact CB-CB 3.87Å; P160-H165 HydrophobicContact CG-CB 4.09Å; P160-I192 HydrophobicContact CG-CD1 3.49Å; P160-I192 VanDerWaalsContact CG-CD1 3.49Å
161	S	94.2	Very high	95.8	Very high	50 Å²	50	61.9 Å²	61.9	35%	0.35	34%	0.341	S	S	.	.			trans	-127	161.2	-174.4	58.1	0	0	0	0	114.6	D101 H165	D101-S161 VanDerWaalsContact CG-OG 3.28Å; D101-S161 WeakPolarHBondContact OD1-CB 3.35Å; D101-S161 PolarHBondContact OD1-OG 3.4Å; D101-S161 WeakPolarHBondContact OD2-CB 3.5Å; D101-S161 PolarHBondContact OD2-OG 2.83Å; S161-H165 PolarHBondContact O-CD2 2.88Å
162	G	93	Very high	95.8	Very high	29 Å²	29	61.8 Å²	61.8	30%	0.299	34%	0.335	S	S	.	.	S	Bend	trans	100.1	158.9	-178.7	0	0	0	0	0	112.9	E100 M164 H165 R166	E100-G162 PolarHBondContact OE2-N 2.62Å; G162-M164 PolarHBondContact O-N 3.18Å; G162-H165 PolarHBondContact O-N 3.24Å; G162-R166 PolarHBondContact O-N 2.84Å
163	I	92.3	Very high	95.8	Very high	136 Å²	136	60.6 Å²	60.6	70%	0.697	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-35.7	-173.2	-63.5	169.2	0	0	0	111.8	H165	I163-H165 VanDerWaalsContact C-N 3.34Å; I163-H165 PolarHBondContact O-N 2.64Å
164	M	93.1	Very high	95.8	Very high	151 Å²	151	56.2 Å²	56.2	74%	0.744	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-24.2	179.7	-67.8	-58.6	177.4	0	0	113.5	R128 G162	R128-M164 PolarHBondContact NH1-O 2.9Å; R128-M164 PolarHBondContact NH2-O 3.44Å; G162-M164 PolarHBondContact O-N 3.18Å
165	H	94	Very high	95.9	Very high	87 Å²	87	56.2 Å²	56.2	40%	0.403	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-12.8	179.5	-68.1	-82.3	0	0	0	113.4	P160 S161 G162 I163 Y169	P160-H165 HydrophobicContact CB-CB 3.87Å; P160-H165 HydrophobicContact CG-CB 4.09Å; S161-H165 PolarHBondContact O-CD2 2.88Å; G162-H165 PolarHBondContact O-N 3.24Å; I163-H165 VanDerWaalsContact C-N 3.34Å; I163-H165 PolarHBondContact O-N 2.64Å; H165-Y169 VanDerWaalsContact O-CE2 3.31Å; H165-Y169 WeakPolarHBondContact O-CE2 3.48Å; H165-Y169 PolarHBondContact O-OH 2.78Å
166	R	95.8	Very high	96	Very high	70 Å²	70	52.8 Å²	52.8	26%	0.264	29%	0.293	S	S	.	.			trans	-68.5	147.4	174.7	-64.3	176.4	-163.2	157.2	4.9	111.2	E100 R128 G162 I192	E100-R166 VanDerWaalsContact CD-NH2 3.27Å; E100-R166 IonicContact OE1-CZ 3.44Å; E100-R166 IonicContact OE1-NE 3.52Å; E100-R166 IonicContact OE1-NH2 2.65Å; E100-R166 PolarHBondContact OE1-NH2 3.4Å; E100-R166 IonicContact OE2-CZ 3.33Å; E100-R166 IonicContact OE2-NE 2.73Å; E100-R166 PolarHBondContact OE2-NE 3.18Å; E100-R166 IonicContact OE2-NH2 3.1Å; E100-R166 PolarHBondContact OE2-NH2 3.28Å; E100-R166 VanDerWaalsContact OE2-NH2 3.1Å; R128-R166 PolarHBondContact NH2-O 3.32Å; G162-R166 PolarHBondContact O-N 2.84Å; R166-I192 CarbonylContact C-O 3.59Å; R166-I192 VanDerWaalsContact CA-O 3.26Å; R166-I192 WeakPolarHBondContact CA-O 3.45Å; R166-I192 WeakPolarHBondContact CB-O 3.22Å
167	G	95.9	Very high	96.1	Very high	32 Å²	32	49.3 Å²	49.3	33%	0.33	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	126.9	-169.3	177.2	0	0	0	0	0	113.5	Y169 I192	G167-Y169 WeakPolarHBondContact O-CD2 3.28Å; G167-I192 PolarHBondContact N-O 3.14Å; G167-I192 PolarHBondContact O-N 3.49Å
168	S	97	Very high	96.1	Very high	76 Å²	76	49.1 Å²	49.1	53%	0.531	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.9	-175.8	-48.1	0	0	0	0	111.8
169	Y	98	Very high	96	Very high	16 Å²	16	47.9 Å²	47.9	6%	0.063	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.7	177.1	-65.7	-99.9	0	0	0	108.6	V126 Y127 R128 V133 H165 G167 N189 L190 I192	V126-Y169 HydrophobicContact CG1-CD1 3.69Å; V126-Y169 HydrophobicContact CG1-CG 4.13Å; Y127-Y169 CarbonylContact O-C 3.57Å; Y127-Y169 VanDerWaalsContact O-CA 3.32Å; Y127-Y169 WeakPolarHBondContact O-CA 3.4Å; R128-Y169 HydrophobicContact CB-CD1 3.81Å; R128-Y169 HydrophobicContact CB-CE1 3.84Å; R128-Y169 HydrophobicContact CG-CD1 4.08Å; R128-Y169 HydrophobicContact CG-CE1 3.91Å; V133-Y169 HydrophobicContact CG2-CD1 4.18Å; V133-Y169 HydrophobicContact CG2-CE1 4.16Å; H165-Y169 VanDerWaalsContact O-CE2 3.31Å; H165-Y169 WeakPolarHBondContact O-CE2 3.48Å; H165-Y169 PolarHBondContact O-OH 2.78Å; G167-Y169 WeakPolarHBondContact O-CD2 3.28Å; Y169-N189 CarbonylContact O-C 3.51Å; Y169-N189 WeakPolarHBondContact O-CA 3.4Å; Y169-L190 PolarHBondContact N-O 2.89Å; Y169-L190 PolarHBondContact O-N 2.79Å; Y169-I192 HydrophobicContact CD2-CD1 4.07Å; Y169-I192 HydrophobicContact CD2-CG1 4.03Å; Y169-I192 HydrophobicContact CE2-CB 4.32Å; Y169-I192 HydrophobicContact CE2-CD1 3.59Å; Y169-I192 HydrophobicContact CE2-CG1 3.81Å
170	K	98.5	Very high	96	Very high	83 Å²	83	56.2 Å²	56.2	36%	0.361	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124.8	171.1	176.4	163	-74.5	-143.8	0	108.6	Y127 E187	Y127-K170 WeakPolarHBondContact CB-O 3.44Å; Y127-K170 PolarHBondContact N-O 3.04Å; Y127-K170 PolarHBondContact O-N 3.07Å; K170-E187 IonicContact NZ-OE2 3.68Å
171	V	98.3	Very high	96.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.5	179.2	-172.2	0	0	0	0	108.9	Q124 K125 V126 E187 W188 L190	Q124-V171 HydrophobicContact CG-CG1 3.66Å; K125-V171 WeakPolarHBondContact O-CA 3.41Å; V126-V171 HydrophobicContact CG2-CG2 4.4Å; V171-E187 VanDerWaalsContact O-CA 3.25Å; V171-E187 WeakPolarHBondContact O-CA 3.44Å; V171-W188 HydrophobicContact CB-CD2 3.91Å; V171-W188 HydrophobicContact CB-CE3 4.45Å; V171-W188 HydrophobicContact CB-CG 4.29Å; V171-W188 HydrophobicContact CB-CH2 4.34Å; V171-W188 HydrophobicContact CB-CZ2 3.82Å; V171-W188 HydrophobicContact CG1-CD2 4.42Å; V171-W188 HydrophobicContact CG1-CH2 4.37Å; V171-W188 HydrophobicContact CG1-CZ2 3.56Å; V171-W188 HydrophobicContact CG2-CD2 4.3Å; V171-W188 HydrophobicContact CG2-CE3 4.34Å; V171-W188 HydrophobicContact CG2-CH2 3.97Å; V171-W188 HydrophobicContact CG2-CZ2 3.95Å; V171-W188 HydrophobicContact CG2-CZ3 4.14Å; V171-W188 PolarHBondContact N-O 3.17Å; V171-W188 PolarHBondContact O-N 3.43Å; V171-L190 HydrophobicContact CG2-CB 3.85Å
172	K	98.5	Very high	96.2	Very high	75 Å²	75	61 Å²	61	33%	0.326	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119.3	170.1	-55.3	-166.3	-177.2	-137	0	108.7	K125 Y127 E187	K125-K172 HydrophobicContact CB-CB 4.38Å; K125-K172 PolarHBondContact N-O 2.88Å; K125-K172 PolarHBondContact O-N 3.19Å; Y127-K172 HydrophobicContact CD2-CD 4.3Å; Y127-K172 HydrophobicContact CD2-CG 4.01Å; Y127-K172 HydrophobicContact CE2-CB 4.21Å; Y127-K172 HydrophobicContact CE2-CD 3.65Å; Y127-K172 HydrophobicContact CE2-CG 3.68Å; K172-E187 HydrophobicContact CD-CG 4.5Å; K172-E187 WeakPolarHBondContact CD-OE1 3.5Å; K172-E187 WeakPolarHBondContact CE-OE1 3.39Å; K172-E187 HydrophobicContact CG-CG 4.02Å; K172-E187 IonicContact NZ-OE1 2.89Å; K172-E187 PolarHBondContact NZ-OE1 3.37Å; K172-E187 IonicContact NZ-OE2 3.91Å
173	S	98.5	Very high	96.5	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.007	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.2	-175.1	-74.1	0	0	0	0	110.5	Y122 V123 Q185 W186 W188	Y122-S173 PolarHBondContact OH-OG 3.33Å; V123-S173 WeakPolarHBondContact O-CA 3.28Å; S173-Q185 VanDerWaalsContact O-CA 3.3Å; S173-Q185 WeakPolarHBondContact O-CA 3.31Å; S173-W186 VanDerWaalsContact CB-CZ2 3.42Å; S173-W186 PolarHBondContact N-O 3.4Å; S173-W186 PolarHBondContact O-N 2.99Å; S173-W188 PolarHBondContact OG-NE1 3.19Å
174	L	98.6	Very high	96.7	Very high	35 Å²	35	55.1 Å²	55.1	18%	0.183	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	125.2	176.2	169.5	66.7	0	0	0	109.8	V123 T176 K182 Q185	V123-L174 HydrophobicContact CB-CB 4.25Å; V123-L174 PolarHBondContact N-O 3.3Å; V123-L174 PolarHBondContact O-N 3.27Å; L174-T176 HydrophobicContact CD2-CG2 4.22Å; L174-T176 HydrophobicContact CG-CG2 4.23Å; L174-K182 HydrophobicContact CD1-CB 4.12Å; L174-K182 HydrophobicContact CD1-CD 4.36Å; L174-K182 HydrophobicContact CD1-CG 3.99Å; L174-Q185 HydrophobicContact CB-CG 4.47Å; L174-Q185 HydrophobicContact CD1-CB 4.06Å; L174-Q185 HydrophobicContact CD1-CG 4.31Å
175	F	98.4	Very high	97	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	116.4	169.7	-153	-121.9	0	0	0	109.1	V66 V68 I108 F110 M120 Y122 V140 W183 L184 W186	V66-F175 HydrophobicContact CG1-CD1 3.87Å; V66-F175 HydrophobicContact CG1-CE1 3.7Å; V68-F175 HydrophobicContact CG2-CB 4.02Å; V68-F175 HydrophobicContact CG2-CD1 3.36Å; V68-F175 HydrophobicContact CG2-CE1 3.9Å; V68-F175 HydrophobicContact CG2-CG 3.9Å; I108-F175 HydrophobicContact CD1-CD2 4.25Å; I108-F175 HydrophobicContact CD1-CE2 4.06Å; I108-F175 HydrophobicContact CG2-CD2 4.47Å; I108-F175 HydrophobicContact CG2-CE2 4Å; I108-F175 HydrophobicContact CG2-CZ 4.19Å; F110-F175 HydrophobicContact CB-CE1 4.24Å; F110-F175 HydrophobicContact CD1-CE1 4.24Å; F110-F175 AromaticContact CD1-CZ 3.8Å; F110-F175 HydrophobicContact CD1-CZ 3.8Å; F110-F175 HydrophobicContact CD2-CE1 4.26Å; F110-F175 HydrophobicContact CD2-CZ 4.42Å; F110-F175 AromaticContact CE1-CZ 3.99Å; F110-F175 HydrophobicContact CE1-CZ 3.99Å; F110-F175 AromaticContact CG-CE1 4Å; F110-F175 HydrophobicContact CG-CE1 4Å; F110-F175 HydrophobicContact CG-CZ 4.03Å; F110-F175 HydrophobicContact CZ-CZ 4.38Å; M120-F175 HydrophobicContact CE-CD1 3.9Å; M120-F175 HydrophobicContact CE-CE1 2.97Å; M120-F175 HydrophobicContact CE-CE2 4.42Å; M120-F175 HydrophobicContact CE-CZ 3.28Å; Y122-F175 HydrophobicContact CD2-CD2 4.46Å; V140-F175 HydrophobicContact CG1-CE2 4.49Å; V140-F175 HydrophobicContact CG1-CZ 4.31Å; V140-F175 HydrophobicContact CG2-CE2 3.86Å; V140-F175 HydrophobicContact CG2-CZ 4.45Å; F175-W183 HydrophobicContact CD1-CB 4.29Å; F175-W183 WeakPolarHBondContact O-CB 3.42Å; F175-W183 PolarHBondContact O-N 2.85Å; F175-L184 PolarHBondContact N-O 3.33Å; F175-L184 PolarHBondContact O-N 3.02Å; F175-W186 HydrophobicContact CB-CZ3 4.33Å
176	T	98.4	Very high	97.2	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.067	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	-176.1	-170.6	-167.4	0	0	0	0	111	M120 K121 V123 L174 N181	M120-T176 CarbonylContact C-O 3.5Å; M120-T176 VanDerWaalsContact CA-O 3.31Å; M120-T176 WeakPolarHBondContact CA-O 3.16Å; K121-T176 HydrophobicContact CD-CG2 4.18Å; K121-T176 HydrophobicContact CG-CG2 3.52Å; K121-T176 PolarHBondContact N-O 3.35Å; K121-T176 PolarHBondContact O-N 3.41Å; V123-T176 HydrophobicContact CG2-CG2 4.21Å; L174-T176 HydrophobicContact CD2-CG2 4.22Å; L174-T176 HydrophobicContact CG-CG2 4.23Å; T176-N181 WeakPolarHBondContact CA-O 3.33Å; T176-N181 VanDerWaalsContact CB-O 3.23Å; T176-N181 WeakPolarHBondContact CB-O 3.42Å; T176-N181 PolarHBondContact OG1-O 3Å
177	D	97.2	Very high	97.3	Very high	6 Å²	6	48.2 Å²	48.2	3%	0.032	24%	0.241	C	C	.	.			trans	-147.9	-176.8	-175.5	63.8	9.3	0	0	0	112.2	V117 A118 G119 M120 D179 K180 N181 W183	V117-D177 HydrophobicContact CG1-CB 3.99Å; A118-D177 WeakPolarHBondContact O-CB 3.48Å; G119-D177 WeakPolarHBondContact O-CA 3.35Å; M120-D177 HydrophobicContact CG-CB 4.41Å; D177-D179 PolarHBondContact O-N 3.18Å; D177-D179 PolarHBondContact OD1-N 2.6Å; D177-K180 PolarHBondContact O-N 3.21Å; D177-K180 PolarHBondContact OD1-N 3.3Å; D177-N181 WeakPolarHBondContact OD1-CB 3.37Å; D177-N181 PolarHBondContact OD1-N 3.49Å; D177-N181 PolarHBondContact OD1-ND2 3.18Å; D177-N181 PolarHBondContact OD2-ND2 3.42Å; D177-W183 WeakPolarHBondContact OD2-CZ2 3.34Å; D177-W183 PolarHBondContact OD2-NE1 3.27Å
178	D	94.2	Very high	97.4	Very high	34 Å²	34	46.9 Å²	46.9	18%	0.182	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-30.2	178.8	-81	-12.3	0	0	0	113.1	Y20 A22 A118 G119 K180	Y20-D178 WeakPolarHBondContact CE1-OD2 3.41Å; Y20-D178 PolarHBondContact OH-OD2 3.3Å; A22-D178 HydrophobicContact CB-CB 3.82Å; A118-D178 PolarHBondContact O-N 2.82Å; G119-D178 PolarHBondContact O-N 3.46Å; D178-K180 PolarHBondContact O-N 3.02Å
179	D	93.3	Very high	97.5	Very high	64 Å²	64	44.7 Å²	44.7	34%	0.342	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	2.2	178.2	-67.8	-39.8	0	0	0	113	Q25 D177 N181	Q25-D179 PolarHBondContact NE2-OD1 2.59Å; Q25-D179 PolarHBondContact NE2-OD2 2.72Å; D177-D179 PolarHBondContact O-N 3.18Å; D177-D179 PolarHBondContact OD1-N 2.6Å; D179-N181 WeakPolarHBondContact CB-ND2 3.32Å; D179-N181 PolarHBondContact O-N 3.39Å
180	K	93.8	Very high	97.4	Very high	176 Å²	176	44.8 Å²	44.8	77%	0.765	21%	0.21	S	C	*	.			trans	63.9	23.4	179.6	-49.1	176.6	-177.1	177	0	113.4	D177 D178	D177-K180 PolarHBondContact O-N 3.21Å; D177-K180 PolarHBondContact OD1-N 3.3Å; D178-K180 PolarHBondContact O-N 3.02Å
181	N	97.1	Very high	97.4	Very high	61 Å²	61	43.3 Å²	43.3	33%	0.326	20%	0.204	S	C	.	.			trans	-64.7	137.3	171.7	-64.2	-56.2	0	0	0	109.4	T176 D177 D179 W183	T176-N181 WeakPolarHBondContact CA-O 3.33Å; T176-N181 VanDerWaalsContact CB-O 3.23Å; T176-N181 WeakPolarHBondContact CB-O 3.42Å; T176-N181 PolarHBondContact OG1-O 3Å; D177-N181 WeakPolarHBondContact OD1-CB 3.37Å; D177-N181 PolarHBondContact OD1-N 3.49Å; D177-N181 PolarHBondContact OD1-ND2 3.18Å; D177-N181 PolarHBondContact OD2-ND2 3.42Å; D179-N181 WeakPolarHBondContact CB-ND2 3.32Å; D179-N181 PolarHBondContact O-N 3.39Å; N181-W183 HydrophobicContact CB-CD2 4.03Å; N181-W183 HydrophobicContact CB-CE3 4.5Å; N181-W183 HydrophobicContact CB-CH2 4.09Å; N181-W183 HydrophobicContact CB-CZ2 3.6Å; N181-W183 WeakPolarHBondContact ND2-CZ2 3.32Å; N181-W183 PolarHBondContact O-N 3.25Å
182	K	97.2	Very high	97.3	Very high	137 Å²	137	43.6 Å²	43.6	60%	0.596	21%	0.205	S	C	*	.			trans	-96.5	84.2	172	-64.1	-170.2	177.9	-171	0	109.6	L174	L174-K182 HydrophobicContact CD1-CB 4.12Å; L174-K182 HydrophobicContact CD1-CD 4.36Å; L174-K182 HydrophobicContact CD1-CG 3.99Å
183	W	97.9	Very high	97.2	Very high	21 Å²	21	42.9 Å²	42.9	8%	0.08	20%	0.203	C	C	.	.	S	Bend	trans	-61.8	-47.3	-176.8	-62.1	119.7	0	0	0	111.9	K64 N65 V66 V117 F175 D177 N181	K64-W183 HydrophobicContact CB-CE3 4.03Å; K64-W183 HydrophobicContact CB-CZ3 4.02Å; K64-W183 HydrophobicContact CG-CE3 4.46Å; K64-W183 PolarHBondContact NZ-O 3Å; N65-W183 HydrophobicContact CB-CH2 3.76Å; N65-W183 HydrophobicContact CB-CZ2 4.48Å; N65-W183 HydrophobicContact CB-CZ3 4.06Å; V66-W183 HydrophobicContact CB-CB 3.88Å; V66-W183 HydrophobicContact CB-CD2 3.53Å; V66-W183 HydrophobicContact CB-CE3 3.82Å; V66-W183 HydrophobicContact CB-CG 3.56Å; V66-W183 HydrophobicContact CG1-CB 4.08Å; V66-W183 HydrophobicContact CG1-CG 4.12Å; V66-W183 HydrophobicContact CG2-CD2 3.55Å; V66-W183 HydrophobicContact CG2-CE3 4.1Å; V66-W183 HydrophobicContact CG2-CG 3.76Å; V66-W183 HydrophobicContact CG2-CZ2 4.07Å; V117-W183 HydrophobicContact CG1-CZ2 4.04Å; V117-W183 HydrophobicContact CG2-CZ2 4.36Å; F175-W183 HydrophobicContact CD1-CB 4.29Å; F175-W183 WeakPolarHBondContact O-CB 3.42Å; F175-W183 PolarHBondContact O-N 2.85Å; D177-W183 WeakPolarHBondContact OD2-CZ2 3.34Å; D177-W183 PolarHBondContact OD2-NE1 3.27Å; N181-W183 HydrophobicContact CB-CD2 4.03Å; N181-W183 HydrophobicContact CB-CE3 4.5Å; N181-W183 HydrophobicContact CB-CH2 4.09Å; N181-W183 HydrophobicContact CB-CZ2 3.6Å; N181-W183 WeakPolarHBondContact ND2-CZ2 3.32Å; N181-W183 PolarHBondContact O-N 3.25Å
184	L	98.4	Very high	97.1	Very high	21 Å²	21	48.6 Å²	48.6	11%	0.11	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	140.2	169.6	-167.7	68.7	0	0	0	110.1	V68 L85 L88 F175 W186	V68-L184 HydrophobicContact CB-CB 4.13Å; V68-L184 HydrophobicContact CB-CD2 3.7Å; V68-L184 HydrophobicContact CG1-CD2 3.97Å; V68-L184 HydrophobicContact CG2-CB 3.82Å; V68-L184 HydrophobicContact CG2-CD2 4.31Å; L85-L184 HydrophobicContact CB-CD2 3.76Å; L85-L184 HydrophobicContact CD1-CD2 3.96Å; L85-L184 HydrophobicContact CG-CD2 4.3Å; L88-L184 HydrophobicContact CD1-CD1 3.98Å; L88-L184 HydrophobicContact CD2-CD1 4.29Å; L88-L184 HydrophobicContact CD2-CD2 4.39Å; L88-L184 HydrophobicContact CG-CD1 4.45Å; F175-L184 PolarHBondContact N-O 3.33Å; F175-L184 PolarHBondContact O-N 3.02Å; L184-W186 HydrophobicContact CB-CE3 4.18Å; L184-W186 HydrophobicContact CB-CZ3 4.17Å; L184-W186 HydrophobicContact CD2-CD2 4.27Å; L184-W186 HydrophobicContact CD2-CE3 3.64Å; L184-W186 HydrophobicContact CD2-CZ3 3.93Å; L184-W186 HydrophobicContact CG-CE3 3.73Å; L184-W186 HydrophobicContact CG-CZ3 4.15Å
185	Q	98.2	Very high	96.8	Very high	102 Å²	102	50.4 Å²	50.4	48%	0.477	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.7	170.8	-170.4	-173.1	-62.9	0	0	107.5	S173 L174	S173-Q185 VanDerWaalsContact O-CA 3.3Å; S173-Q185 WeakPolarHBondContact O-CA 3.31Å; L174-Q185 HydrophobicContact CB-CG 4.47Å; L174-Q185 HydrophobicContact CD1-CB 4.06Å; L174-Q185 HydrophobicContact CD1-CG 4.31Å
186	W	98.3	Very high	96.4	Very high	10 Å²	10	53.3 Å²	53.3	4%	0.038	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	163.1	-179	71.6	104.4	0	0	0	110.9	L71 L85 L88 Y122 S173 F175 L184 W188	L71-W186 HydrophobicContact CB-CZ2 4.33Å; L71-W186 HydrophobicContact CD2-CZ2 4.15Å; L85-W186 HydrophobicContact CD1-CD2 4.17Å; L85-W186 HydrophobicContact CD1-CE3 4.49Å; L85-W186 HydrophobicContact CD1-CH2 4.03Å; L85-W186 HydrophobicContact CD1-CZ2 3.66Å; L85-W186 HydrophobicContact CD1-CZ3 4.44Å; L85-W186 HydrophobicContact CD2-CD2 4.15Å; L85-W186 HydrophobicContact CD2-CG 3.97Å; L88-W186 HydrophobicContact CD2-CB 4.06Å; Y122-W186 HydrophobicContact CD2-CH2 4.35Å; Y122-W186 AromaticContact CE2-CH2 3.9Å; Y122-W186 HydrophobicContact CE2-CH2 3.9Å; Y122-W186 HydrophobicContact CE2-CZ2 4.17Å; S173-W186 VanDerWaalsContact CB-CZ2 3.42Å; S173-W186 PolarHBondContact N-O 3.4Å; S173-W186 PolarHBondContact O-N 2.99Å; F175-W186 HydrophobicContact CB-CZ3 4.33Å; L184-W186 HydrophobicContact CB-CE3 4.18Å; L184-W186 HydrophobicContact CB-CZ3 4.17Å; L184-W186 HydrophobicContact CD2-CD2 4.27Å; L184-W186 HydrophobicContact CD2-CE3 3.64Å; L184-W186 HydrophobicContact CD2-CZ3 3.93Å; L184-W186 HydrophobicContact CG-CE3 3.73Å; L184-W186 HydrophobicContact CG-CZ3 4.15Å; W186-W188 AromaticContact CD1-CD1 3.53Å; W186-W188 AromaticContact NE1-CD1 3.31Å; W186-W188 VanDerWaalsContact NE1-CD1 3.31Å; W186-W188 AromaticContact NE1-NE1 3.7Å
187	E	98.1	Very high	95.2	Very high	52 Å²	52	61.6 Å²	61.6	24%	0.243	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	149.8	173.6	-54.4	-166.6	174.3	0	0	108.6	V91 E92 K170 V171 K172	V91-E187 CarbonylContact C-O 3.5Å; E92-E187 WeakPolarHBondContact CA-O 3.38Å; K170-E187 IonicContact NZ-OE2 3.68Å; V171-E187 VanDerWaalsContact O-CA 3.25Å; V171-E187 WeakPolarHBondContact O-CA 3.44Å; K172-E187 HydrophobicContact CD-CG 4.5Å; K172-E187 WeakPolarHBondContact CD-OE1 3.5Å; K172-E187 WeakPolarHBondContact CE-OE1 3.39Å; K172-E187 HydrophobicContact CG-CG 4.02Å; K172-E187 IonicContact NZ-OE1 2.89Å; K172-E187 PolarHBondContact NZ-OE1 3.37Å; K172-E187 IonicContact NZ-OE2 3.91Å
188	W	98.3	Very high	95.1	Very high	3 Å²	3	64.4 Å²	64.4	1%	0.011	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	173.8	177.5	56.9	-77.5	0	0	0	109.7	L71 M83 F96 L106 V171 S173 W186 L190	L71-W188 HydrophobicContact CD2-CD2 4.44Å; L71-W188 HydrophobicContact CD2-CZ2 3.93Å; M83-W188 HydrophobicContact CE-CB 3.3Å; M83-W188 HydrophobicContact CE-CD2 4.08Å; M83-W188 HydrophobicContact CE-CE3 4.22Å; M83-W188 HydrophobicContact CE-CG 3.73Å; M83-W188 HydrophobicContact SD-CB 3.93Å; M83-W188 HydrophobicContact SD-CG 4.11Å; F96-W188 HydrophobicContact CB-CE3 4.38Å; F96-W188 HydrophobicContact CB-CZ3 3.86Å; F96-W188 AromaticContact CD2-CE3 3.85Å; F96-W188 HydrophobicContact CD2-CE3 3.85Å; F96-W188 AromaticContact CD2-CH2 3.79Å; F96-W188 HydrophobicContact CD2-CH2 3.79Å; F96-W188 AromaticContact CD2-CZ3 3.37Å; F96-W188 HydrophobicContact CD2-CZ3 3.37Å; F96-W188 HydrophobicContact CE2-CE3 4.47Å; F96-W188 HydrophobicContact CE2-CH2 4.42Å; F96-W188 HydrophobicContact CE2-CZ3 4.23Å; F96-W188 HydrophobicContact CG-CE3 4.25Å; F96-W188 AromaticContact CG-CZ3 3.92Å; F96-W188 HydrophobicContact CG-CZ3 3.92Å; L106-W188 HydrophobicContact CD1-CZ2 4.38Å; V171-W188 HydrophobicContact CB-CD2 3.91Å; V171-W188 HydrophobicContact CB-CE3 4.45Å; V171-W188 HydrophobicContact CB-CG 4.29Å; V171-W188 HydrophobicContact CB-CH2 4.34Å; V171-W188 HydrophobicContact CB-CZ2 3.82Å; V171-W188 HydrophobicContact CG1-CD2 4.42Å; V171-W188 HydrophobicContact CG1-CH2 4.37Å; V171-W188 HydrophobicContact CG1-CZ2 3.56Å; V171-W188 HydrophobicContact CG2-CD2 4.3Å; V171-W188 HydrophobicContact CG2-CE3 4.34Å; V171-W188 HydrophobicContact CG2-CH2 3.97Å; V171-W188 HydrophobicContact CG2-CZ2 3.95Å; V171-W188 HydrophobicContact CG2-CZ3 4.14Å; V171-W188 PolarHBondContact N-O 3.17Å; V171-W188 PolarHBondContact O-N 3.43Å; S173-W188 PolarHBondContact OG-NE1 3.19Å; W186-W188 AromaticContact CD1-CD1 3.53Å; W186-W188 AromaticContact NE1-CD1 3.31Å; W186-W188 VanDerWaalsContact NE1-CD1 3.31Å; W186-W188 AromaticContact NE1-NE1 3.7Å; W188-L190 HydrophobicContact CH2-CB 4.45Å; W188-L190 HydrophobicContact CH2-CD1 4.4Å; W188-L190 HydrophobicContact CZ3-CB 3.93Å; W188-L190 HydrophobicContact CZ3-CD1 4.06Å
189	N	98	Very high	95.2	Very high	31 Å²	31	66 Å²	66	17%	0.166	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.8	-176.1	-52.5	-73.6	0	0	0	112.2	E92 E94 S95 F96 Y169	E92-N189 PolarHBondContact O-ND2 3.27Å; E94-N189 PolarHBondContact O-N 2.8Å; E94-N189 PolarHBondContact O-ND2 2.75Å; S95-N189 CarbonylContact C-O 3.52Å; S95-N189 VanDerWaalsContact CA-O 3.23Å; S95-N189 WeakPolarHBondContact CA-O 3.35Å; S95-N189 WeakPolarHBondContact OG-CB 3.26Å; F96-N189 PolarHBondContact N-O 2.89Å; Y169-N189 CarbonylContact O-C 3.51Å; Y169-N189 WeakPolarHBondContact O-CA 3.4Å
190	L	97.4	Very high	95.3	Very high	17 Å²	17	66.1 Å²	66.1	9%	0.089	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.8	170.8	-179.4	70.8	0	0	0	108.6	F96 I98 Y169 V171 W188	F96-L190 HydrophobicContact CB-CD1 4.17Å; F96-L190 CarbonylContact O-C 3.59Å; F96-L190 WeakPolarHBondContact O-CA 3.15Å; I98-L190 HydrophobicContact CD1-CD1 3.77Å; I98-L190 HydrophobicContact CD1-CD2 4.02Å; I98-L190 HydrophobicContact CD1-CG 4.13Å; I98-L190 HydrophobicContact CG1-CD1 3.84Å; I98-L190 HydrophobicContact CG1-CG 4.33Å; I98-L190 HydrophobicContact CG2-CD1 4.22Å; Y169-L190 PolarHBondContact N-O 2.89Å; Y169-L190 PolarHBondContact O-N 2.79Å; V171-L190 HydrophobicContact CG2-CB 3.85Å; W188-L190 HydrophobicContact CH2-CB 4.45Å; W188-L190 HydrophobicContact CH2-CD1 4.4Å; W188-L190 HydrophobicContact CZ3-CB 3.93Å; W188-L190 HydrophobicContact CZ3-CD1 4.06Å
191	E	97.1	Very high	95.4	Very high	52 Å²	52	59.6 Å²	59.6	24%	0.243	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.6	175.8	-65.3	-167.9	178.5	0	0	110.6	F96 V97 I98 K193	F96-E191 PolarHBondContact O-N 2.78Å; V97-E191 WeakPolarHBondContact CA-O 3.18Å; V97-E191 HydrophobicContact CG2-CB 4.22Å; I98-E191 PolarHBondContact N-O 3.37Å; E191-K193 VanDerWaalsContact OE2-CE 3.31Å; E191-K193 WeakPolarHBondContact OE2-CE 3.46Å; E191-K193 IonicContact OE2-NZ 3.95Å
192	I	96.6	Very high	95.3	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.3	175.5	-51.6	-172.3	0	0	0	108.6	I98 E100 P160 R166 G167 Y169	I98-I192 HydrophobicContact CD1-CD1 4.38Å; I98-I192 HydrophobicContact CD1-CG1 4.04Å; I98-I192 HydrophobicContact CG1-CG1 3.99Å; I98-I192 WeakPolarHBondContact O-CA 3.36Å; E100-I192 HydrophobicContact CB-CG2 4.28Å; P160-I192 HydrophobicContact CG-CD1 3.49Å; P160-I192 VanDerWaalsContact CG-CD1 3.49Å; R166-I192 CarbonylContact C-O 3.59Å; R166-I192 VanDerWaalsContact CA-O 3.26Å; R166-I192 WeakPolarHBondContact CA-O 3.45Å; R166-I192 WeakPolarHBondContact CB-O 3.22Å; G167-I192 PolarHBondContact N-O 3.14Å; G167-I192 PolarHBondContact O-N 3.49Å; Y169-I192 HydrophobicContact CD2-CD1 4.07Å; Y169-I192 HydrophobicContact CD2-CG1 4.03Å; Y169-I192 HydrophobicContact CE2-CB 4.32Å; Y169-I192 HydrophobicContact CE2-CD1 3.59Å; Y169-I192 HydrophobicContact CE2-CG1 3.81Å
193	K	96.7	Very high	95.1	Very high	61 Å²	61	54.4 Å²	54.4	27%	0.265	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	162.5	-176.8	-67.1	-172.3	-179.6	178.3	0	111.9	V97 I98 K99 E100 E191 D195 D197	V97-K193 HydrophobicContact CG1-CD 3.69Å; V97-K193 HydrophobicContact CG1-CG 4.13Å; I98-K193 PolarHBondContact O-N 2.89Å; K99-K193 CarbonylContact C-O 3.57Å; K99-K193 WeakPolarHBondContact CA-O 3.4Å; E100-K193 PolarHBondContact N-O 3.19Å; E191-K193 VanDerWaalsContact OE2-CE 3.31Å; E191-K193 WeakPolarHBondContact OE2-CE 3.46Å; E191-K193 IonicContact OE2-NZ 3.95Å; K193-D195 WeakPolarHBondContact CB-O 3.27Å; K193-D197 PolarHBondContact NZ-OXT 3.08Å
194	K	96.1	Very high	94.9	Very high	120 Å²	120	56.8 Å²	56.8	52%	0.522	27%	0.272	S	S	.	.	S	Bend	trans	-67.9	-39.4	174.9	-174.4	-176.7	175.4	-170.1	0	111.9	K99	K99-K194 VanDerWaalsContact CE-O 3.24Å; K99-K194 WeakPolarHBondContact CE-O 3.34Å; K99-K194 WeakPolarHBondContact CG-O 3.47Å
195	D	92.9	Very high	94.7	Very high	73 Å²	73	59.5 Å²	59.5	39%	0.39	29%	0.285	S	S	.	.	S	Bend	trans	-135.5	172.6	177.4	-70.5	-60.9	0	0	0	108.4	K99 K193 D197	K99-D195 IonicContact NZ-OD1 2.75Å; K99-D195 PolarHBondContact NZ-OD1 2.82Å; K193-D195 WeakPolarHBondContact CB-O 3.27Å; D195-D197 PolarHBondContact O-N 3.13Å
196	W	89	Confident	94.4	Very high	61 Å²	61	56 Å²	56	23%	0.231	27%	0.269	C	S	.	.			trans	-72.1	-13.5	-174.8	-64.9	106.2	0	0	0	114.3	V75 R78 V97 K99 C102	V75-W196 HydrophobicContact CB-CH2 4.27Å; V75-W196 HydrophobicContact CG1-CH2 3.58Å; V75-W196 HydrophobicContact CG1-CZ2 3.77Å; V75-W196 HydrophobicContact CG2-CH2 3.98Å; V75-W196 HydrophobicContact CG2-CZ3 4.49Å; R78-W196 VanDerWaalsContact CD-CE2 3.48Å; R78-W196 VanDerWaalsContact CZ-CD2 3.48Å; V97-W196 WeakPolarHBondContact O-CZ3 3.03Å; K99-W196 HydrophobicContact CB-CD2 3.77Å; K99-W196 VanDerWaalsContact CB-CE2 3.42Å; K99-W196 HydrophobicContact CB-CE3 4.2Å; K99-W196 HydrophobicContact CB-CG 4.31Å; K99-W196 HydrophobicContact CB-CH2 3.96Å; K99-W196 HydrophobicContact CB-CZ2 3.52Å; K99-W196 HydrophobicContact CB-CZ3 4.31Å; C102-W196 HydrophobicContact CB-CH2 4.09Å; C102-W196 HydrophobicContact CB-CZ2 3.9Å
197	D	73.9	Confident	94	Very high	186 Å²	186	60.2 Å²	60.2	100%	0.995	29%	0.29	S	S	*	.			trans	-95	0	178.9	-56.6	-37.5	0	0	0	110.9	K193 D195	K193-D197 PolarHBondContact NZ-OXT 3.08Å; D195-D197 PolarHBondContact O-N 3.13Å

Retrieved 197 of 197 residues in 458.9 ms (Link to these results)

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