A0AA82N8B0_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N8B0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 282 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	37.9	Very low	229 Å²	229	154.6 Å²	154.6	100%	1.128	77%	0.768	S	S	*	*				0	119.4	0	-76.7	171.9	173.9	0	0	108	Y3	M1-Y3 PolarHBondContact O-N 3.31Å
2	R	36.2	Very low	38.6	Very low	243 Å²	243	147.5 Å²	147.5	92%	0.917	75%	0.745	S	S	*	*			trans	-70.4	113.9	173.4	-73.1	179.5	174.7	175.8	-2	107.1	V4	R2-V4 PolarHBondContact O-N 3.27Å
3	Y	35.1	Very low	38.7	Very low	227 Å²	227	145.8 Å²	145.8	89%	0.89	75%	0.746	S	S	*	*			trans	-68.1	102.3	173.9	-88.4	-89.5	0	0	0	108.4	M1 L5	M1-Y3 PolarHBondContact O-N 3.31Å; Y3-L5 PolarHBondContact O-N 2.98Å
4	V	34.1	Very low	39	Very low	125 Å²	125	139.4 Å²	139.4	76%	0.758	72%	0.72	S	S	*	*			trans	-75.8	107.4	164.9	-179.6	0	0	0	0	105.7	R2 P6	R2-V4 PolarHBondContact O-N 3.27Å; V4-P6 WeakPolarHBondContact O-CD 3.35Å
5	L	38.3	Very low	39.2	Very low	156 Å²	156	137.6 Å²	137.6	82%	0.817	71%	0.711	S	S	*	*			trans	-62.5	123.8	174.5	-85.9	157.9	0	0	0	108.8	Y3 S7	Y3-L5 PolarHBondContact O-N 2.98Å; L5-S7 PolarHBondContact O-N 3.38Å
6	P	34.3	Very low	39.4	Very low	82 Å²	82	138.1 Å²	138.1	53%	0.532	72%	0.715	S	S	.	*			trans	-66.6	133	-178.5	-15.8	28.7	0	0	0	110.7	V4 S8	V4-P6 WeakPolarHBondContact O-CD 3.35Å; P6-S8 PolarHBondContact O-N 3.23Å
7	S	43.9	Very low	39.5	Very low	119 Å²	119	134.1 Å²	134.1	83%	0.832	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	23.8	-178.3	54.4	0	0	0	0	115.1	L5	L5-S7 PolarHBondContact O-N 3.38Å
8	S	39.5	Very low	39.8	Very low	91 Å²	91	133.1 Å²	133.1	64%	0.636	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	0.4	-179.8	60.9	0	0	0	0	114.2	P6 F10	P6-S8 PolarHBondContact O-N 3.23Å; S8-F10 PolarHBondContact O-N 3.14Å
9	F	38	Very low	40.1	Very low	146 Å²	146	134.4 Å²	134.4	64%	0.64	70%	0.699	S	S	*	*			trans	-95.3	60.1	175.2	-74.3	-86.9	0	0	0	112.2	I11	F9-I11 HydrophobicContact CD1-CB 4.32Å; F9-I11 HydrophobicContact CD1-CD1 3.36Å; F9-I11 HydrophobicContact CD1-CG1 3.65Å; F9-I11 HydrophobicContact CE1-CD1 3.45Å; F9-I11 VanDerWaalsContact CE1-CD1 3.45Å; F9-I11 HydrophobicContact CE1-CG1 4.23Å; F9-I11 PolarHBondContact O-N 3.41Å
10	F	38.7	Very low	40.3	Very low	203 Å²	203	135.4 Å²	135.4	89%	0.89	70%	0.704	S	S	*	*			trans	-82.5	46.7	146	-71.5	-76.4	0	0	0	109	S8 S12	S8-F10 PolarHBondContact O-N 3.14Å; F10-S12 VanDerWaalsContact C-N 3.32Å; F10-S12 PolarHBondContact O-N 3.14Å
11	I	39.9	Very low	40.5	Very low	80 Å²	80	132.3 Å²	132.3	41%	0.41	69%	0.691	S	S	.	*			trans	-70.1	104.4	159.6	-63.4	-169.6	0	0	0	103.6	F9 T13 L15	F9-I11 HydrophobicContact CD1-CB 4.32Å; F9-I11 HydrophobicContact CD1-CD1 3.36Å; F9-I11 HydrophobicContact CD1-CG1 3.65Å; F9-I11 HydrophobicContact CE1-CD1 3.45Å; F9-I11 VanDerWaalsContact CE1-CD1 3.45Å; F9-I11 HydrophobicContact CE1-CG1 4.23Å; F9-I11 PolarHBondContact O-N 3.41Å; I11-T13 PolarHBondContact O-N 3.45Å; I11-T13 VanDerWaalsContact O-N 3.14Å; I11-L15 HydrophobicContact CG2-CB 3.71Å; I11-L15 HydrophobicContact CG2-CD1 3.37Å; I11-L15 HydrophobicContact CG2-CG 4.16Å
12	S	46.6	Very low	40.7	Very low	69 Å²	69	131.3 Å²	131.3	48%	0.483	68%	0.681	S	S	.	*			trans	-36.1	123.1	174.3	176.8	0	0	0	0	108.9	F10 C14 L15	F10-S12 VanDerWaalsContact C-N 3.32Å; F10-S12 PolarHBondContact O-N 3.14Å; S12-C14 PolarHBondContact O-N 2.98Å; S12-L15 PolarHBondContact O-N 3.49Å
13	T	40.5	Very low	40.9	Very low	125 Å²	125	128.8 Å²	128.8	77%	0.767	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	-8.4	-179.7	41.6	0	0	0	0	113.5	I11 L15	I11-T13 PolarHBondContact O-N 3.45Å; I11-T13 VanDerWaalsContact O-N 3.14Å; T13-L15 PolarHBondContact O-N 3.34Å
14	C	42	Very low	41.2	Very low	57 Å²	57	124.8 Å²	124.8	39%	0.385	66%	0.664	S	S	.	*	H	α-helix	trans	-48.6	-47.8	160.2	-91.7	0	0	0	0	113.9	S12 L16 V17 I18	S12-C14 PolarHBondContact O-N 2.98Å; C14-L16 PolarHBondContact O-N 3.25Å; C14-V17 PolarHBondContact O-N 3.06Å; C14-I18 VanDerWaalsContact O-CD1 3.26Å; C14-I18 WeakPolarHBondContact O-CD1 3.34Å; C14-I18 WeakPolarHBondContact O-CG1 3.45Å; C14-I18 PolarHBondContact O-N 3.28Å
15	L	42.1	Very low	41.6	Very low	112 Å²	112	125.3 Å²	125.3	59%	0.586	66%	0.663	S	S	*	*	H	α-helix	trans	-67.7	-34.3	-166.3	-90.7	155.4	0	0	0	114.2	I11 S12 T13	I11-L15 HydrophobicContact CG2-CB 3.71Å; I11-L15 HydrophobicContact CG2-CD1 3.37Å; I11-L15 HydrophobicContact CG2-CG 4.16Å; S12-L15 PolarHBondContact O-N 3.49Å; T13-L15 PolarHBondContact O-N 3.34Å
16	L	42.7	Very low	42.2	Very low	146 Å²	146	120.1 Å²	120.1	76%	0.764	64%	0.639	S	S	*	*	H	α-helix	trans	-79.6	-24.1	-178.2	-104.3	127.8	0	0	0	113.5	C14	C14-L16 PolarHBondContact O-N 3.25Å
17	V	40.3	Very low	43.6	Very low	69 Å²	69	122 Å²	122	42%	0.418	64%	0.641	S	S	.	*	H	α-helix	trans	-92.6	-19.6	-175.8	-176.9	0	0	0	0	112.6	C14 L19 L20 F24	C14-V17 PolarHBondContact O-N 3.06Å; V17-L19 PolarHBondContact O-N 3.22Å; V17-L19 VanDerWaalsContact O-N 3.13Å; V17-L20 PolarHBondContact O-N 3.49Å; V17-F24 HydrophobicContact CG1-CD2 3.99Å; V17-F24 HydrophobicContact CG1-CE2 4.36Å; V17-F24 HydrophobicContact CG1-CG 4.48Å
18	I	45.6	Very low	45.2	Very low	117 Å²	117	117.3 Å²	117.3	60%	0.6	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-28.2	179	-72.6	161.4	0	0	0	112.8	C14 L20	C14-I18 VanDerWaalsContact O-CD1 3.26Å; C14-I18 WeakPolarHBondContact O-CD1 3.34Å; C14-I18 WeakPolarHBondContact O-CG1 3.45Å; C14-I18 PolarHBondContact O-N 3.28Å; I18-L20 PolarHBondContact O-N 3.26Å
19	L	45.9	Very low	47.3	Very low	157 Å²	157	116.4 Å²	116.4	82%	0.822	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-18.9	-176.7	-90.8	154.6	0	0	0	114.8	V17	V17-L19 PolarHBondContact O-N 3.22Å; V17-L19 VanDerWaalsContact O-N 3.13Å
20	L	43.3	Very low	49.7	Very low	154 Å²	154	110.2 Å²	110.2	81%	0.806	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119	-15.5	-167.8	-77.9	165.1	0	0	0	116.4	V17 I18	V17-L20 PolarHBondContact O-N 3.49Å; I18-L20 PolarHBondContact O-N 3.26Å
21	T	44.1	Very low	51.9	Low	71 Å²	71	105.2 Å²	105.2	44%	0.436	55%	0.55	S	S	.	*			trans	-148	120.3	177.7	49	0	0	0	0	112.7	F23 F24	T21-F23 PolarHBondContact O-N 3.11Å; T21-F24 VanDerWaalsContact OG1-CD2 3.25Å; T21-F24 WeakPolarHBondContact OG1-CD2 3.35Å; T21-F24 WeakPolarHBondContact OG1-CE2 3.47Å
22	K	43.2	Very low	53.9	Low	209 Å²	209	103.8 Å²	103.8	91%	0.909	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	15.9	176.4	-89.1	-176.1	173.2	-179.1	0	115.2
23	F	40.8	Very low	55.8	Low	190 Å²	190	100.6 Å²	100.6	83%	0.833	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.1	26.3	-167.3	-85.3	-73.7	0	0	0	116.4	T21 N25	T21-F23 PolarHBondContact O-N 3.11Å; F23-N25 PolarHBondContact O-N 2.99Å
24	F	40.5	Very low	57.8	Low	143 Å²	143	100 Å²	100	63%	0.627	51%	0.506	S	S	*	.			trans	-86.5	96.6	162.8	-85.7	-85.9	0	0	0	110.1	V17 T21 C26	V17-F24 HydrophobicContact CG1-CD2 3.99Å; V17-F24 HydrophobicContact CG1-CE2 4.36Å; V17-F24 HydrophobicContact CG1-CG 4.48Å; T21-F24 VanDerWaalsContact OG1-CD2 3.25Å; T21-F24 WeakPolarHBondContact OG1-CD2 3.35Å; T21-F24 WeakPolarHBondContact OG1-CE2 3.47Å; F24-C26 PolarHBondContact O-N 2.82Å
25	N	42.9	Very low	59.7	Low	135 Å²	135	104.4 Å²	104.4	72%	0.722	53%	0.526	S	S	*	.			trans	-35.2	113.6	148.8	-103.4	-28.9	0	0	0	107.2	F23 Q27	F23-N25 PolarHBondContact O-N 2.99Å; N25-Q27 VanDerWaalsContact C-N 3.3Å; N25-Q27 PolarHBondContact O-N 3.46Å
26	C	52.3	Low	61.8	Low	48 Å²	48	100.3 Å²	100.3	32%	0.324	51%	0.505	S	S	.	.			trans	-55.6	105.2	166.3	-74	0	0	0	0	105.9	F24 F28	F24-C26 PolarHBondContact O-N 2.82Å; C26-F28 HydrophobicContact CB-CE1 3.93Å; C26-F28 HydrophobicContact CB-CZ 4.12Å; C26-F28 WeakPolarHBondContact O-CD2 3.42Å; C26-F28 PolarHBondContact O-N 3.42Å
27	Q	63.3	Low	64.1	Low	121 Å²	121	99.5 Å²	99.5	57%	0.565	50%	0.496	S	S	*	.			trans	-67.9	99	-177.3	-85.6	-167.9	-29	0	0	107.3	N25 T29 L193	N25-Q27 VanDerWaalsContact C-N 3.3Å; N25-Q27 PolarHBondContact O-N 3.46Å; Q27-T29 PolarHBondContact O-N 2.84Å; Q27-T29 VanDerWaalsContact O-N 3.14Å; Q27-L193 HydrophobicContact CB-CD1 3.32Å; Q27-L193 HydrophobicContact CG-CD1 3.43Å; Q27-L193 VanDerWaalsContact CG-CD1 3.43Å
28	F	77.1	Confident	66.6	Low	21 Å²	21	98.1 Å²	98.1	9%	0.092	48%	0.483	C	S	.	.			trans	-76.3	102.6	-175.2	-63	-58.8	0	0	0	110.9	C26 C192 L193 K266 M269 I270	C26-F28 HydrophobicContact CB-CE1 3.93Å; C26-F28 HydrophobicContact CB-CZ 4.12Å; C26-F28 WeakPolarHBondContact O-CD2 3.42Å; C26-F28 PolarHBondContact O-N 3.42Å; F28-C192 CarbonylContact O-C 3.59Å; F28-C192 WeakPolarHBondContact O-CA 3.45Å; F28-C192 VanDerWaalsContact O-CB 3.29Å; F28-C192 WeakPolarHBondContact O-CB 3.26Å; F28-L193 PolarHBondContact O-N 2.8Å; F28-K266 HydrophobicContact CD2-CD 4.31Å; F28-K266 HydrophobicContact CD2-CG 3.72Å; F28-K266 HydrophobicContact CE2-CD 4.23Å; F28-K266 HydrophobicContact CE2-CG 3.41Å; F28-K266 VanDerWaalsContact CE2-CG 3.41Å; F28-K266 HydrophobicContact CZ-CG 4.06Å; F28-K266 WeakPolarHBondContact CZ-O 3.41Å; F28-M269 HydrophobicContact CB-CE 4.39Å; F28-M269 HydrophobicContact CD1-CB 4.12Å; F28-M269 HydrophobicContact CD1-CE 3.26Å; F28-M269 HydrophobicContact CD1-SD 3.73Å; F28-M269 HydrophobicContact CE1-CB 3.31Å; F28-M269 HydrophobicContact CE1-CE 3.59Å; F28-M269 HydrophobicContact CE1-CG 4.21Å; F28-M269 HydrophobicContact CE1-SD 3.92Å; F28-M269 HydrophobicContact CG-CE 3.92Å; F28-M269 HydrophobicContact CZ-CB 3.97Å; F28-M269 HydrophobicContact CZ-CE 4.38Å; F28-I270 HydrophobicContact CE2-CD1 3.49Å; F28-I270 VanDerWaalsContact CE2-CD1 3.49Å; F28-I270 HydrophobicContact CE2-CG1 3.83Å; F28-I270 HydrophobicContact CZ-CB 4.22Å; F28-I270 HydrophobicContact CZ-CD1 3.64Å; F28-I270 HydrophobicContact CZ-CG1 3.51Å
29	T	84.2	Confident	68.9	Low	72 Å²	72	96 Å²	96	44%	0.442	47%	0.471	S	S	.	.	B	Isolated β-bridge	trans	-67.5	144.6	172.3	61.5	0	0	0	0	110.8	Q27 E31 H32 L193	Q27-T29 PolarHBondContact O-N 2.84Å; Q27-T29 VanDerWaalsContact O-N 3.14Å; T29-E31 PolarHBondContact O-N 2.02Å; T29-E31 VanDerWaalsContact O-N 3.13Å; T29-H32 PolarHBondContact O-ND1 2.02Å; T29-L193 WeakPolarHBondContact CA-O 3.28Å
30	C	87.3	Confident	71.3	Confident	16 Å²	16	93.2 Å²	93.2	11%	0.108	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-66	-11.6	178.3	-55.7	0	0	0	0	114.5	H32 I33 K34 C192 L193 V200 E202	C30-H32 PolarHBondContact O-N 3Å; C30-H32 VanDerWaalsContact O-N 3.12Å; C30-I33 WeakPolarHBondContact O-CG1 3.24Å; C30-I33 PolarHBondContact O-N 3.18Å; C30-K34 PolarHBondContact O-N 2.86Å; C30-C192 WeakPolarHBondContact CA-SG 3.31Å; C30-C192 HydrophobicContact CB-CB 3.97Å; C30-C192 WeakPolarHBondContact CB-SG 3.45Å; C30-C192 WeakPolarHBondContact SG-CB 3.43Å; C30-C192 CovalentContact SG-SG 2.03Å; C30-C192 PolarHBondContact SG-SG 2.87Å; C30-L193 PolarHBondContact N-O 3.19Å; C30-L193 VanDerWaalsContact SG-C 3.55Å; C30-L193 PolarHBondContact SG-O 2.84Å; C30-V200 WeakPolarHBondContact SG-CG2 3.06Å; C30-E202 HydrophobicContact CB-CG 3.86Å; C30-E202 VanDerWaalsContact SG-CG 3.52Å
31	E	85.9	Confident	73.8	Confident	97 Å²	97	89.9 Å²	89.9	45%	0.453	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-57.6	-31	-174.7	-68.3	-67.7	160.7	0	0	113.8	T29 I33 K34 K195	T29-E31 PolarHBondContact O-N 2.02Å; T29-E31 VanDerWaalsContact O-N 3.13Å; E31-I33 PolarHBondContact O-N 3.01Å; E31-K34 WeakPolarHBondContact O-CB 3.07Å; E31-K34 PolarHBondContact O-N 3.32Å; E31-K34 IonicContact OE2-NZ 3.51Å; E31-K195 WeakPolarHBondContact OE1-CE 3.43Å; E31-K195 IonicContact OE1-NZ 3.3Å
32	H	81.4	Confident	76.4	Confident	50 Å²	50	90.7 Å²	90.7	23%	0.231	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-74.6	-23.2	-176.7	78.6	-74.3	0	0	0	114.7	T29 C30 Y190 M269	T29-H32 PolarHBondContact O-ND1 2.02Å; C30-H32 PolarHBondContact O-N 3Å; C30-H32 VanDerWaalsContact O-N 3.12Å; H32-Y190 AromaticContact CE1-CE1 3.65Å; H32-Y190 AromaticContact CE1-CZ 3.71Å; H32-Y190 PolarHBondContact CE1-OH 2.86Å; H32-Y190 AromaticContact NE2-CZ 3.61Å; H32-Y190 PolarHBondContact NE2-OH 3.26Å; H32-Y190 VanDerWaalsContact NE2-OH 3.14Å; H32-M269 VanDerWaalsContact CE1-CE 3.47Å; H32-M269 WeakPolarHBondContact CE1-CE 3.11Å; H32-M269 VanDerWaalsContact NE2-CE 3.28Å; H32-M269 WeakPolarHBondContact NE2-CE 3.47Å
33	I	85.8	Confident	79	Confident	2 Å²	2	83.5 Å²	83.5	1%	0.01	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-5	176.1	54.2	154.6	0	0	0	112.5	C30 E31 N35 V36 Y190 E202 Y204	C30-I33 WeakPolarHBondContact O-CG1 3.24Å; C30-I33 PolarHBondContact O-N 3.18Å; E31-I33 PolarHBondContact O-N 3.01Å; I33-N35 PolarHBondContact O-N 3.28Å; I33-V36 WeakPolarHBondContact O-CB 3.12Å; I33-V36 WeakPolarHBondContact O-CG2 3.49Å; I33-V36 PolarHBondContact O-N 3.34Å; I33-Y190 VanDerWaalsContact CD1-CB 3.42Å; I33-Y190 HydrophobicContact CD1-CD1 3.58Å; I33-Y190 HydrophobicContact CD1-CD2 4.38Å; I33-Y190 HydrophobicContact CD1-CE1 4.45Å; I33-Y190 HydrophobicContact CD1-CG 3.54Å; I33-Y190 HydrophobicContact CG1-CD1 4.37Å; I33-Y190 HydrophobicContact CG2-CD2 4.15Å; I33-Y190 HydrophobicContact CG2-CE2 4.16Å; I33-Y190 HydrophobicContact CG2-CG 4.33Å; I33-E202 HydrophobicContact CD1-CB 3.97Å; I33-Y204 HydrophobicContact CB-CD2 4.24Å; I33-Y204 HydrophobicContact CG2-CD2 4.07Å
34	K	82.7	Confident	81.7	Confident	113 Å²	113	78.7 Å²	78.7	49%	0.491	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	131.5	-177.5	-169.5	-178	-176.5	179.4	0	109.8	C30 E31 V36	C30-K34 PolarHBondContact O-N 2.86Å; E31-K34 WeakPolarHBondContact O-CB 3.07Å; E31-K34 PolarHBondContact O-N 3.32Å; E31-K34 IonicContact OE2-NZ 3.51Å; K34-V36 PolarHBondContact O-N 2.76Å; K34-V36 VanDerWaalsContact O-N 3.16Å
35	N	81.8	Confident	84.4	Confident	149 Å²	149	75.8 Å²	75.8	80%	0.797	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	17.4	-178.6	-49.4	-39.4	0	0	0	114.6	I33 K37	I33-N35 PolarHBondContact O-N 3.28Å; N35-K37 PolarHBondContact O-N 3.1Å
36	V	87.6	Confident	86.8	Confident	26 Å²	26	75.7 Å²	75.7	16%	0.158	39%	0.386	C	S	.	.			trans	-65.3	113.8	171.8	175.7	0	0	0	0	108.5	I33 K34 Y204 N205	I33-V36 WeakPolarHBondContact O-CB 3.12Å; I33-V36 WeakPolarHBondContact O-CG2 3.49Å; I33-V36 PolarHBondContact O-N 3.34Å; K34-V36 PolarHBondContact O-N 2.76Å; K34-V36 VanDerWaalsContact O-N 3.16Å; V36-Y204 HydrophobicContact CB-CD2 4.04Å; V36-Y204 HydrophobicContact CB-CE2 3.9Å; V36-Y204 HydrophobicContact CG1-CD2 4.06Å; V36-Y204 HydrophobicContact CG1-CE2 3.43Å; V36-Y204 VanDerWaalsContact CG1-CE2 3.43Å; V36-Y204 HydrophobicContact CG2-CE2 4.4Å; V36-N205 HydrophobicContact CG1-CB 4.44Å; V36-N205 VanDerWaalsContact O-CA 3.29Å; V36-N205 WeakPolarHBondContact O-CA 3.23Å; V36-N205 PolarHBondContact O-N 2.82Å
37	K	90.7	Very high	88.9	Confident	129 Å²	129	75.8 Å²	75.8	56%	0.561	39%	0.387	S	S	*	.			trans	-143.3	123.3	172.1	-176.5	-177.6	176.4	-165.7	0	107.4	N35 E39 N205	N35-K37 PolarHBondContact O-N 3.1Å; K37-E39 WeakPolarHBondContact CE-OE2 3.42Å; K37-E39 IonicContact NZ-OE2 3.28Å; K37-E39 PolarHBondContact NZ-OE2 3.03Å; K37-N205 WeakPolarHBondContact CA-OD1 2.98Å
38	Y	91.8	Very high	90.5	Very high	41 Å²	41	73.4 Å²	73.4	16%	0.161	37%	0.373	C	S	.	.			trans	-118.9	127.3	170.7	175.5	-87.1	0	0	0	108.7	K40 D52 H53 N205 M246	Y38-K40 HydrophobicContact CE1-CB 4.43Å; Y38-D52 HydrophobicContact CE1-CB 4.34Å; Y38-D52 WeakPolarHBondContact CE1-O 3.37Å; Y38-H53 WeakPolarHBondContact O-CA 3.49Å; Y38-N205 PolarHBondContact N-OD1 3.25Å; Y38-M246 HydrophobicContact CD1-CE 4.34Å; Y38-M246 HydrophobicContact CD2-CE 3.64Å; Y38-M246 HydrophobicContact CE1-CE 4.22Å; Y38-M246 HydrophobicContact CE2-CE 3.51Å; Y38-M246 HydrophobicContact CG-CE 4.05Å
39	E	94.8	Very high	91.5	Very high	71 Å²	71	73.4 Å²	73.4	33%	0.332	37%	0.373	S	S	.	.			trans	-149.6	123.4	178.9	174.5	169.6	-139.4	0	0	109.1	K37 R49 D52 H53	K37-E39 WeakPolarHBondContact CE-OE2 3.42Å; K37-E39 IonicContact NZ-OE2 3.28Å; K37-E39 PolarHBondContact NZ-OE2 3.03Å; E39-R49 IonicContact OE1-CZ 3.42Å; E39-R49 IonicContact OE1-NH2 3.73Å; E39-R49 PolarHBondContact OE1-NH2 3.14Å; E39-D52 CarbonylContact C-O 3.52Å; E39-D52 WeakPolarHBondContact CA-O 3.44Å; E39-H53 IonicContact OE1-CE1 2.99Å; E39-H53 PolarHBondContact OE1-CE1 3.48Å; E39-H53 VanDerWaalsContact OE1-CE1 3.3Å
40	K	95.1	Very high	92.2	Very high	100 Å²	100	72.8 Å²	72.8	44%	0.435	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	110.3	173.2	-178.4	178.1	-176.7	172.3	0	109.3	Y38 I42 S51 D52	Y38-K40 HydrophobicContact CE1-CB 4.43Å; K40-I42 PolarHBondContact O-N 2.84Å; K40-S51 CarbonylContact O-C 3.59Å; K40-S51 VanDerWaalsContact O-CA 3.25Å; K40-S51 WeakPolarHBondContact O-CA 3.39Å; K40-D52 HydrophobicContact CB-CB 4.39Å; K40-D52 PolarHBondContact N-O 3.46Å; K40-D52 PolarHBondContact O-N 3.33Å
41	I	97.5	Very high	92.8	Very high	83 Å²	83	72 Å²	72	43%	0.426	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	121.5	173.8	-56.9	174.6	0	0	0	108.1	E44	I41-E44 HydrophobicContact CG2-CB 3.89Å
42	I	97.2	Very high	93.3	Very high	89 Å²	89	67.8 Å²	67.8	46%	0.456	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-41.2	-179.2	-65.4	168.7	0	0	0	110.2	K40 Y50 D52 F57	K40-I42 PolarHBondContact O-N 2.84Å; I42-Y50 HydrophobicContact CB-CD1 3.64Å; I42-Y50 HydrophobicContact CB-CE1 4.13Å; I42-Y50 HydrophobicContact CD1-CD1 3.77Å; I42-Y50 HydrophobicContact CD1-CE1 3.4Å; I42-Y50 HydrophobicContact CG1-CD1 4.29Å; I42-Y50 HydrophobicContact CG1-CE1 4.35Å; I42-Y50 HydrophobicContact CG2-CD1 3.67Å; I42-Y50 HydrophobicContact CG2-CE1 3.99Å; I42-Y50 PolarHBondContact N-O 3.14Å; I42-D52 HydrophobicContact CD1-CB 4.06Å; I42-F57 HydrophobicContact CD1-CD1 4.44Å; I42-F57 HydrophobicContact CD1-CE1 4.33Å
43	S	97.8	Very high	94	Very high	57 Å²	57	65.4 Å²	65.4	40%	0.399	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	137.2	177.8	179.1	0	0	0	0	109.6	R49 Y50	S43-R49 CarbonylContact O-C 3.53Å; S43-R49 WeakPolarHBondContact O-CA 3.42Å; S43-Y50 PolarHBondContact N-O 3.49Å; S43-Y50 PolarHBondContact O-N 3.25Å
44	E	98	Very high	94.4	Very high	90 Å²	90	65.4 Å²	65.4	42%	0.421	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	139.1	178.3	-172.8	173.3	102.6	0	0	110.6	I41 Y48 R49 F213	I41-E44 HydrophobicContact CG2-CB 3.89Å; E44-Y48 CarbonylContact C-O 3.58Å; E44-Y48 WeakPolarHBondContact CA-O 3.41Å; E44-R49 HydrophobicContact CB-CG 4.49Å; E44-R49 HydrophobicContact CG-CB 4.24Å; E44-R49 HydrophobicContact CG-CG 4.26Å; E44-R49 VanDerWaalsContact OE2-CD 3.22Å; E44-R49 WeakPolarHBondContact OE2-CD 2.95Å; E44-R49 WeakPolarHBondContact OE2-CG 3.18Å; E44-R49 IonicContact OE2-CZ 3.64Å; E44-R49 IonicContact OE2-NE 2.71Å; E44-R49 IonicContact OE2-NH1 2.8Å; E44-R49 PolarHBondContact OE2-NH1 3.06Å; E44-F213 HydrophobicContact CG-CZ 4.14Å
45	N	96.7	Very high	95	Very high	81 Å²	81	60.1 Å²	60.1	43%	0.433	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	-172.3	166	68.2	46.9	0	0	0	109.5	S47 Y48	N45-S47 PolarHBondContact O-N 2.96Å; N45-S47 VanDerWaalsContact O-N 3.14Å; N45-S47 PolarHBondContact OD1-N 3Å; N45-S47 PolarHBondContact OD1-OG 2.93Å; N45-Y48 PolarHBondContact N-O 3.35Å; N45-Y48 PolarHBondContact O-N 3.13Å; N45-Y48 VanDerWaalsContact O-O 3.04Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.2Å; N45-Y48 PolarHBondContact OD1-N 2.9Å
46	V	94.3	Very high	95.8	Very high	133 Å²	133	53.1 Å²	53.1	81%	0.806	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.2	-175.2	-62.6	0	0	0	0	114.9	F62	V46-F62 WeakPolarHBondContact O-CE2 3.38Å
47	S	95.5	Very high	96.3	Very high	50 Å²	50	53.6 Å²	53.6	35%	0.35	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	3.3	-174.6	61	0	0	0	0	114.1	N45 F62	N45-S47 PolarHBondContact O-N 2.96Å; N45-S47 VanDerWaalsContact O-N 3.14Å; N45-S47 PolarHBondContact OD1-N 3Å; N45-S47 PolarHBondContact OD1-OG 2.93Å; S47-F62 VanDerWaalsContact CA-CD2 3.47Å; S47-F62 PolarHBondContact O-N 3.4Å
48	Y	97.9	Very high	96.7	Very high	72 Å²	72	47.4 Å²	47.4	28%	0.282	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	139.8	-173.2	176.6	-98.5	0	0	0	111.7	E44 N45 Y50 T59 I60 R61	E44-Y48 CarbonylContact C-O 3.58Å; E44-Y48 WeakPolarHBondContact CA-O 3.41Å; N45-Y48 PolarHBondContact N-O 3.35Å; N45-Y48 PolarHBondContact O-N 3.13Å; N45-Y48 VanDerWaalsContact O-O 3.04Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.2Å; N45-Y48 PolarHBondContact OD1-N 2.9Å; Y48-Y50 WeakPolarHBondContact OH-CB 3.02Å; Y48-T59 HydrophobicContact CE2-CG2 3.84Å; Y48-I60 VanDerWaalsContact CA-O 3.28Å; Y48-I60 WeakPolarHBondContact CA-O 3.48Å; Y48-I60 WeakPolarHBondContact CD2-O 3.29Å; Y48-R61 HydrophobicContact CD2-CG 3.8Å; Y48-R61 HydrophobicContact CE2-CG 4.14Å
49	R	98.6	Very high	97	Very high	20 Å²	20	46.3 Å²	46.3	8%	0.075	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	138	168	-178.2	-175.7	176.4	129.7	-12.3	110.1	E39 S43 E44 T59 I60 P210 F213	E39-R49 IonicContact OE1-CZ 3.42Å; E39-R49 IonicContact OE1-NH2 3.73Å; E39-R49 PolarHBondContact OE1-NH2 3.14Å; S43-R49 CarbonylContact O-C 3.53Å; S43-R49 WeakPolarHBondContact O-CA 3.42Å; E44-R49 HydrophobicContact CB-CG 4.49Å; E44-R49 HydrophobicContact CG-CB 4.24Å; E44-R49 HydrophobicContact CG-CG 4.26Å; E44-R49 VanDerWaalsContact OE2-CD 3.22Å; E44-R49 WeakPolarHBondContact OE2-CD 2.95Å; E44-R49 WeakPolarHBondContact OE2-CG 3.18Å; E44-R49 IonicContact OE2-CZ 3.64Å; E44-R49 IonicContact OE2-NE 2.71Å; E44-R49 IonicContact OE2-NH1 2.8Å; E44-R49 PolarHBondContact OE2-NH1 3.06Å; R49-T59 CarbonylContact O-C 3.55Å; R49-T59 WeakPolarHBondContact O-CA 2.97Å; R49-I60 HydrophobicContact CB-CB 4.27Å; R49-I60 HydrophobicContact CB-CD1 4.42Å; R49-I60 HydrophobicContact CB-CG1 4.45Å; R49-I60 PolarHBondContact N-O 3.21Å; R49-I60 PolarHBondContact O-N 2Å; R49-P210 VanDerWaalsContact CZ-CG 3.49Å; R49-F213 HydrophobicContact CB-CE1 4.07Å; R49-F213 HydrophobicContact CB-CE2 4.16Å; R49-F213 HydrophobicContact CB-CZ 3.76Å
50	Y	98.7	Very high	97.2	Very high	60 Å²	60	43 Å²	43	24%	0.235	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.8	170.1	-179	-123.3	0	0	0	110	I42 S43 Y48 F57 Q58 T59	I42-Y50 HydrophobicContact CB-CD1 3.64Å; I42-Y50 HydrophobicContact CB-CE1 4.13Å; I42-Y50 HydrophobicContact CD1-CD1 3.77Å; I42-Y50 HydrophobicContact CD1-CE1 3.4Å; I42-Y50 HydrophobicContact CG1-CD1 4.29Å; I42-Y50 HydrophobicContact CG1-CE1 4.35Å; I42-Y50 HydrophobicContact CG2-CD1 3.67Å; I42-Y50 HydrophobicContact CG2-CE1 3.99Å; I42-Y50 PolarHBondContact N-O 3.14Å; S43-Y50 PolarHBondContact N-O 3.49Å; S43-Y50 PolarHBondContact O-N 3.25Å; Y48-Y50 WeakPolarHBondContact OH-CB 3.02Å; Y50-F57 HydrophobicContact CE2-CB 3.74Å; Y50-F57 HydrophobicContact CE2-CD1 4.13Å; Y50-F57 HydrophobicContact CE2-CG 4.14Å; Y50-F57 AromaticContact CZ-CD1 3.8Å; Y50-F57 VanDerWaalsContact OH-CD1 3.27Å; Y50-F57 WeakPolarHBondContact OH-CD1 3.04Å; Y50-F57 WeakPolarHBondContact OH-CG 3.09Å; Y50-Q58 WeakPolarHBondContact CA-O 3.39Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.41Å
51	S	98.3	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	143.9	-173.7	44.8	0	0	0	0	112.2	K40 H53 F57 Q58	K40-S51 CarbonylContact O-C 3.59Å; K40-S51 VanDerWaalsContact O-CA 3.25Å; K40-S51 WeakPolarHBondContact O-CA 3.39Å; S51-H53 PolarHBondContact OG-NE2 2.85Å; S51-F57 CarbonylContact O-C 3.59Å; S51-F57 WeakPolarHBondContact O-CA 3.1Å; S51-Q58 PolarHBondContact N-O 3.38Å; S51-Q58 PolarHBondContact O-N 2.98Å
52	D	96.4	Very high	97.2	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.037	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.1	171.9	-178.1	-1.6	0	0	0	109.1	Y38 E39 K40 I42 Y54 F57 N225 K243	Y38-D52 HydrophobicContact CE1-CB 4.34Å; Y38-D52 WeakPolarHBondContact CE1-O 3.37Å; E39-D52 CarbonylContact C-O 3.52Å; E39-D52 WeakPolarHBondContact CA-O 3.44Å; K40-D52 HydrophobicContact CB-CB 4.39Å; K40-D52 PolarHBondContact N-O 3.46Å; K40-D52 PolarHBondContact O-N 3.33Å; I42-D52 HydrophobicContact CD1-CB 4.06Å; D52-Y54 WeakPolarHBondContact OD1-CA 3.47Å; D52-Y54 PolarHBondContact OD1-N 3.17Å; D52-F57 HydrophobicContact CB-CD1 3.88Å; D52-F57 HydrophobicContact CB-CE1 3.73Å; D52-N225 PolarHBondContact OD1-ND2 2.86Å; D52-N225 VanDerWaalsContact OD1-ND2 3.13Å; D52-K243 IonicContact OD2-NZ 3.99Å; D52-K243 PolarHBondContact OD2-NZ 2.69Å
53	H	96.1	Very high	97.1	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.21	C	C	.	.			trans	-116.6	28.7	177.2	-61.9	-96.5	0	0	0	111.8	Y38 E39 S51 E55 Y56 N205 I207	Y38-H53 WeakPolarHBondContact O-CA 3.49Å; E39-H53 IonicContact OE1-CE1 2.99Å; E39-H53 PolarHBondContact OE1-CE1 3.48Å; E39-H53 VanDerWaalsContact OE1-CE1 3.3Å; S51-H53 PolarHBondContact OG-NE2 2.85Å; H53-E55 VanDerWaalsContact C-N 3.31Å; H53-E55 PolarHBondContact O-N 2.88Å; H53-Y56 WeakPolarHBondContact CA-O 3.16Å; H53-Y56 WeakPolarHBondContact CB-O 3.44Å; H53-Y56 PolarHBondContact N-O 2.88Å; H53-N205 PolarHBondContact O-ND2 3.09Å; H53-I207 HydrophobicContact CB-CD1 3.49Å; H53-I207 VanDerWaalsContact CB-CD1 3.49Å; H53-I207 HydrophobicContact CB-CG1 3.65Å; H53-I207 HydrophobicContact CB-CG2 4.34Å
54	Y	94.4	Very high	97	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.008	20%	0.202	C	C	.	.	S	Bend	trans	68.9	-63.7	179.4	-174.6	-112.2	0	0	0	115	D52 N225 S228 C229 F230 M246 N259 D262	D52-Y54 WeakPolarHBondContact OD1-CA 3.47Å; D52-Y54 PolarHBondContact OD1-N 3.17Å; Y54-N225 VanDerWaalsContact O-CB 3.23Å; Y54-N225 WeakPolarHBondContact O-CB 3.46Å; Y54-N225 PolarHBondContact O-ND2 2.88Å; Y54-S228 WeakPolarHBondContact CD2-OG 3.14Å; Y54-S228 WeakPolarHBondContact O-CB 3.47Å; Y54-S228 PolarHBondContact O-OG 3.03Å; Y54-C229 WeakPolarHBondContact OH-CB 3.35Å; Y54-F230 AromaticContact CE1-CD1 3.75Å; Y54-F230 HydrophobicContact CE1-CD1 3.75Å; Y54-F230 HydrophobicContact CE1-CE1 4.29Å; Y54-F230 AromaticContact CZ-CD1 3.88Å; Y54-M246 HydrophobicContact CD2-CE 3.15Å; Y54-M246 HydrophobicContact CD2-SD 3.1Å; Y54-M246 WeakPolarHBondContact CD2-SD 3.27Å; Y54-M246 HydrophobicContact CE2-CE 3.65Å; Y54-M246 HydrophobicContact CE2-CG 4.22Å; Y54-M246 HydrophobicContact CE2-SD 3.09Å; Y54-M246 WeakPolarHBondContact CE2-SD 3.5Å; Y54-M246 HydrophobicContact CG-CE 3.83Å; Y54-M246 HydrophobicContact CG-SD 4.29Å; Y54-N259 WeakPolarHBondContact CE2-ND2 3.35Å; Y54-N259 PolarHBondContact OH-ND2 3.28Å; Y54-D262 HydrophobicContact CD1-CB 4.42Å; Y54-D262 HydrophobicContact CE1-CB 3.33Å; Y54-D262 PolarHBondContact OH-OD2 3.13Å
55	E	95.9	Very high	96.8	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.214	C	C	.	.	S	Bend	trans	-80.5	-25	174.6	-69.6	83.7	-177.3	0	0	113.2	H53 Y92 Y204 N205 N225 F230 T263	H53-E55 VanDerWaalsContact C-N 3.31Å; H53-E55 PolarHBondContact O-N 2.88Å; E55-Y92 HydrophobicContact CB-CD1 3.69Å; E55-Y92 HydrophobicContact CB-CE1 4.08Å; E55-Y92 HydrophobicContact CB-CG 4.23Å; E55-Y92 HydrophobicContact CG-CD1 3.55Å; E55-Y92 HydrophobicContact CG-CE1 4.22Å; E55-Y92 HydrophobicContact CG-CG 4.26Å; E55-Y204 WeakPolarHBondContact OE1-CE1 3.44Å; E55-Y204 PolarHBondContact OE1-OH 3.45Å; E55-N205 PolarHBondContact OE2-ND2 2.82Å; E55-N225 PolarHBondContact O-N 3.42Å; E55-F230 HydrophobicContact CB-CE1 4.12Å; E55-F230 HydrophobicContact CB-CZ 3.9Å; E55-F230 HydrophobicContact CG-CD1 4.31Å; E55-F230 HydrophobicContact CG-CE1 3.68Å; E55-F230 HydrophobicContact CG-CE2 4.25Å; E55-F230 HydrophobicContact CG-CZ 3.65Å; E55-T263 HydrophobicContact CG-CG2 4.47Å
56	Y	98	Very high	96.4	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	147.5	-179.4	-70.4	-91.4	0	0	0	111.7	H53 Y91 Y92 M166 I186 I207 F222 E223 P224	H53-Y56 WeakPolarHBondContact CA-O 3.16Å; H53-Y56 WeakPolarHBondContact CB-O 3.44Å; H53-Y56 PolarHBondContact N-O 2.88Å; Y56-Y91 WeakPolarHBondContact OH-CA 3.16Å; Y56-Y92 HydrophobicContact CD2-CD2 4.27Å; Y56-Y92 HydrophobicContact CD2-CE2 4.06Å; Y56-Y92 AromaticContact CE2-CD2 3.47Å; Y56-Y92 HydrophobicContact CE2-CD2 3.47Å; Y56-Y92 VanDerWaalsContact CE2-CD2 3.47Å; Y56-Y92 AromaticContact CE2-CE2 3.63Å; Y56-Y92 HydrophobicContact CE2-CE2 3.63Å; Y56-Y92 AromaticContact CE2-CG 3.96Å; Y56-Y92 HydrophobicContact CE2-CG 3.96Å; Y56-Y92 PolarHBondContact OH-N 3.42Å; Y56-M166 HydrophobicContact CD1-CE 4.28Å; Y56-M166 HydrophobicContact CE1-CE 3.6Å; Y56-M166 HydrophobicContact CE2-CE 4.47Å; Y56-I186 HydrophobicContact CD2-CD1 4.27Å; Y56-I186 HydrophobicContact CE2-CD1 4.46Å; Y56-I207 HydrophobicContact CD2-CD1 4.02Å; Y56-I207 HydrophobicContact CG-CD1 4.25Å; Y56-F222 HydrophobicContact CD1-CB 3.79Å; Y56-F222 HydrophobicContact CE1-CB 4.4Å; Y56-F222 HydrophobicContact CG-CB 4.29Å; Y56-E223 CarbonylContact C-O 3.55Å; Y56-E223 VanDerWaalsContact CA-O 3.25Å; Y56-E223 WeakPolarHBondContact CA-O 3.26Å; Y56-E223 VanDerWaalsContact CD1-C 3.49Å; Y56-P224 HydrophobicContact CD1-CG 4.37Å; Y56-P224 HydrophobicContact CE1-CB 4.32Å; Y56-P224 HydrophobicContact CE1-CG 3.83Å
57	F	98.2	Very high	96.1	Very high	35 Å²	35	37 Å²	37	15%	0.154	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	136.2	154.3	-62.7	-73.9	0	0	0	109.4	I42 Y50 S51 D52 F222 E223 N225	I42-F57 HydrophobicContact CD1-CD1 4.44Å; I42-F57 HydrophobicContact CD1-CE1 4.33Å; Y50-F57 HydrophobicContact CE2-CB 3.74Å; Y50-F57 HydrophobicContact CE2-CD1 4.13Å; Y50-F57 HydrophobicContact CE2-CG 4.14Å; Y50-F57 AromaticContact CZ-CD1 3.8Å; Y50-F57 VanDerWaalsContact OH-CD1 3.27Å; Y50-F57 WeakPolarHBondContact OH-CD1 3.04Å; Y50-F57 WeakPolarHBondContact OH-CG 3.09Å; S51-F57 CarbonylContact O-C 3.59Å; S51-F57 WeakPolarHBondContact O-CA 3.1Å; D52-F57 HydrophobicContact CB-CD1 3.88Å; D52-F57 HydrophobicContact CB-CE1 3.73Å; F57-F222 CarbonylContact O-C 3.59Å; F57-F222 WeakPolarHBondContact O-CA 3.3Å; F57-E223 PolarHBondContact N-O 3.2Å; F57-E223 PolarHBondContact O-N 3.25Å; F57-N225 HydrophobicContact CD2-CB 4.05Å; F57-N225 HydrophobicContact CE2-CB 3.81Å; F57-N225 VanDerWaalsContact CE2-CG 3.4Å; F57-N225 WeakPolarHBondContact CE2-OD1 3.42Å; F57-N225 HydrophobicContact CZ-CB 4.37Å; F57-N225 WeakPolarHBondContact CZ-ND2 3.11Å
58	Q	98.6	Very high	95.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.5	172.1	-175.9	-172.2	59.8	0	0	109.3	Y50 S51 I60 I207 Q208 V220 E221 F222	Y50-Q58 WeakPolarHBondContact CA-O 3.39Å; S51-Q58 PolarHBondContact N-O 3.38Å; S51-Q58 PolarHBondContact O-N 2.98Å; Q58-I60 HydrophobicContact CG-CD1 4.49Å; Q58-I60 HydrophobicContact CG-CG1 4.15Å; Q58-I207 HydrophobicContact CB-CG2 4.49Å; Q58-Q208 PolarHBondContact NE2-O 3.15Å; Q58-V220 HydrophobicContact CG-CG1 4.17Å; Q58-E221 CarbonylContact C-O 3.44Å; Q58-E221 VanDerWaalsContact CA-O 3.28Å; Q58-E221 WeakPolarHBondContact CA-O 3.44Å; Q58-F222 HydrophobicContact CB-CD1 4.24Å; Q58-F222 HydrophobicContact CB-CE1 4.35Å; Q58-F222 HydrophobicContact CG-CD1 4.13Å; Q58-F222 HydrophobicContact CG-CE1 3.87Å; Q58-F222 VanDerWaalsContact NE2-CE1 3.29Å
59	T	98.6	Very high	94.7	Very high	18 Å²	18	38.4 Å²	38.4	11%	0.11	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.2	171.6	-55.2	0	0	0	0	109.4	Y48 R49 Y50 R61 V220 E221	Y48-T59 HydrophobicContact CE2-CG2 3.84Å; R49-T59 CarbonylContact O-C 3.55Å; R49-T59 WeakPolarHBondContact O-CA 2.97Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.41Å; T59-R61 HydrophobicContact CG2-CG 4.19Å; T59-V220 CarbonylContact O-C 3.56Å; T59-V220 WeakPolarHBondContact O-CA 3.44Å; T59-E221 PolarHBondContact N-O 2.97Å; T59-E221 PolarHBondContact O-N 2.86Å
60	I	98.4	Very high	93.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.1	175.9	-48.4	178.9	0	0	0	109.2	Y48 R49 Q58 I209 P210 F213 T218 L219 V220	Y48-I60 VanDerWaalsContact CA-O 3.28Å; Y48-I60 WeakPolarHBondContact CA-O 3.48Å; Y48-I60 WeakPolarHBondContact CD2-O 3.29Å; R49-I60 HydrophobicContact CB-CB 4.27Å; R49-I60 HydrophobicContact CB-CD1 4.42Å; R49-I60 HydrophobicContact CB-CG1 4.45Å; R49-I60 PolarHBondContact N-O 3.21Å; R49-I60 PolarHBondContact O-N 2Å; Q58-I60 HydrophobicContact CG-CD1 4.49Å; Q58-I60 HydrophobicContact CG-CG1 4.15Å; I60-I209 HydrophobicContact CD1-CG2 4.17Å; I60-P210 HydrophobicContact CD1-CG 4.43Å; I60-F213 HydrophobicContact CB-CD1 4.13Å; I60-F213 HydrophobicContact CD1-CB 4.08Å; I60-F213 HydrophobicContact CD1-CG 4.15Å; I60-F213 HydrophobicContact CG2-CB 3.92Å; I60-F213 HydrophobicContact CG2-CD1 3.6Å; I60-F213 HydrophobicContact CG2-CE1 4.48Å; I60-F213 HydrophobicContact CG2-CG 4.04Å; I60-T218 HydrophobicContact CG2-CG2 3.53Å; I60-L219 WeakPolarHBondContact CA-O 3.23Å; I60-V220 HydrophobicContact CB-CG2 4.48Å; I60-V220 HydrophobicContact CD1-CG2 4.5Å; I60-V220 HydrophobicContact CG1-CG1 4.17Å; I60-V220 HydrophobicContact CG1-CG2 4.11Å; I60-V220 HydrophobicContact CG2-CG2 3.9Å
61	R	98	Very high	92.2	Very high	79 Å²	79	42 Å²	42	30%	0.298	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	129.1	-177.5	-71.4	179.3	-78.2	157.2	-11.7	110.9	Y48 T59 Q64 T218 L219 E221	Y48-R61 HydrophobicContact CD2-CG 3.8Å; Y48-R61 HydrophobicContact CE2-CG 4.14Å; T59-R61 HydrophobicContact CG2-CG 4.19Å; R61-Q64 HydrophobicContact CB-CG 3.62Å; R61-Q64 WeakPolarHBondContact O-CG 3.38Å; R61-T218 WeakPolarHBondContact O-CA 3.5Å; R61-L219 PolarHBondContact N-O 2.64Å; R61-L219 PolarHBondContact O-N 3.24Å; R61-E221 IonicContact CZ-OE2 3.4Å; R61-E221 IonicContact NE-OE2 3.81Å; R61-E221 IonicContact NH2-OE1 2.73Å; R61-E221 PolarHBondContact NH2-OE1 2.98Å; R61-E221 VanDerWaalsContact NH2-OE1 3.11Å; R61-E221 IonicContact NH2-OE2 3.52Å; R61-E221 PolarHBondContact NH2-OE2 3.01Å
62	F	96	Very high	91.1	Very high	33 Å²	33	48.9 Å²	48.9	15%	0.145	27%	0.272	C	S	.	.	S	Bend	trans	-83.1	169.3	170.6	-65.3	-10.3	0	0	0	112.4	V46 S47 Q64 F213 K215 R217 T218	V46-F62 WeakPolarHBondContact O-CE2 3.38Å; S47-F62 VanDerWaalsContact CA-CD2 3.47Å; S47-F62 PolarHBondContact O-N 3.4Å; F62-Q64 PolarHBondContact O-N 2.92Å; F62-Q64 VanDerWaalsContact O-N 3.08Å; F62-Q64 PolarHBondContact O-NE2 3.3Å; F62-F213 HydrophobicContact CD1-CD1 4.33Å; F62-F213 HydrophobicContact CE1-CB 4.04Å; F62-F213 AromaticContact CE1-CD1 3.41Å; F62-F213 HydrophobicContact CE1-CD1 3.41Å; F62-F213 VanDerWaalsContact CE1-CD1 3.41Å; F62-F213 HydrophobicContact CE1-CE1 4.25Å; F62-F213 HydrophobicContact CE1-CG 4.1Å; F62-F213 HydrophobicContact CZ-CB 4.31Å; F62-F213 AromaticContact CZ-CD1 3.5Å; F62-F213 HydrophobicContact CZ-CD1 3.5Å; F62-F213 VanDerWaalsContact CZ-CD1 3.5Å; F62-F213 HydrophobicContact CZ-CE1 4.08Å; F62-F213 HydrophobicContact CZ-CG 4.11Å; F62-K215 HydrophobicContact CZ-CD 4.46Å; F62-R217 CarbonylContact C-O 3.53Å; F62-T218 HydrophobicContact CD1-CG2 3.76Å; F62-T218 VanDerWaalsContact CD1-OG1 3.23Å; F62-T218 WeakPolarHBondContact CD1-OG1 3.16Å; F62-T218 HydrophobicContact CE1-CG2 3.95Å; F62-T218 WeakPolarHBondContact CE1-OG1 3.4Å
63	D	95	Very high	90.4	Very high	118 Å²	118	51.2 Å²	51.2	63%	0.631	29%	0.285	S	S	*	.	S	Bend	trans	56.1	24.7	175.2	-59.1	-47.9	0	0	0	115	R217	D63-R217 PolarHBondContact N-O 3.17Å
64	Q	96.2	Very high	89.9	Confident	52 Å²	52	56 Å²	56	24%	0.243	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-77.6	155.6	178.8	-57.6	-57.2	-80.4	0	0	110.9	R61 F62 Y169 R217 L219	R61-Q64 HydrophobicContact CB-CG 3.62Å; R61-Q64 WeakPolarHBondContact O-CG 3.38Å; F62-Q64 PolarHBondContact O-N 2.92Å; F62-Q64 VanDerWaalsContact O-N 3.08Å; F62-Q64 PolarHBondContact O-NE2 3.3Å; Q64-Y169 HydrophobicContact CB-CE2 4.32Å; Q64-Y169 PolarHBondContact O-OH 3.32Å; Q64-R217 PolarHBondContact N-O 2.71Å; Q64-L219 HydrophobicContact CB-CB 3.87Å; Q64-L219 HydrophobicContact CG-CB 3.69Å; Q64-L219 HydrophobicContact CG-CD2 4.41Å
65	T	93.3	Very high	89.5	Confident	108 Å²	108	61.5 Å²	61.5	66%	0.663	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-81.3	154.1	169.7	52.9	0	0	0	0	110.4
66	P	88.4	Confident	89.1	Confident	81 Å²	81	63.5 Å²	63.5	53%	0.526	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-54.5	142.6	172.6	-21.1	30.6	0	0	0	111.3	Y169	P66-Y169 HydrophobicContact CB-CD1 4.15Å; P66-Y169 HydrophobicContact CB-CE1 3.69Å; P66-Y169 HydrophobicContact CG-CE1 3.66Å
67	P	86.7	Confident	88.3	Confident	38 Å²	38	71.2 Å²	71.2	25%	0.247	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-66.4	147.8	175.9	30.4	-35.6	0	0	0	110.2	V69 T157 M159	P67-V69 PolarHBondContact O-N 3.35Å; P67-T157 HydrophobicContact CG-CG2 4.26Å; P67-M159 HydrophobicContact CB-SD 3.52Å; P67-M159 VanDerWaalsContact CB-SD 3.52Å; P67-M159 HydrophobicContact CG-SD 3.66Å
68	N	82.7	Confident	87.2	Confident	117 Å²	117	76.8 Å²	76.8	63%	0.626	39%	0.393	S	S	*	.			trans	-75.5	115.4	178.8	-171.9	17.3	0	0	0	110.5	N70	N68-N70 PolarHBondContact ND2-OD1 2.78Å; N68-N70 PolarHBondContact OD1-OD1 3.14Å; N68-N70 VanDerWaalsContact OD1-OD1 3.06Å
69	V	81.1	Confident	86.4	Confident	34 Å²	34	82.2 Å²	82.2	21%	0.206	43%	0.426	C	S	.	.			trans	-102.3	88.7	172.7	-175.8	0	0	0	0	107.8	P67 G71 L73 F138 A140 T157 M159	P67-V69 PolarHBondContact O-N 3.35Å; V69-G71 PolarHBondContact O-N 2.91Å; V69-L73 HydrophobicContact CG1-CD1 4.41Å; V69-L73 HydrophobicContact CG1-CD2 4.06Å; V69-L73 HydrophobicContact CG1-CG 4.08Å; V69-F138 HydrophobicContact CG1-CE2 4.2Å; V69-A140 HydrophobicContact CG1-CB 3.85Å; V69-A140 HydrophobicContact CG2-CB 4.14Å; V69-T157 HydrophobicContact CG2-CG2 4.31Å; V69-M159 HydrophobicContact CG2-CE 4.44Å; V69-M159 HydrophobicContact CG2-SD 4.15Å
70	N	75.2	Confident	85.9	Confident	114 Å²	114	83.6 Å²	83.6	61%	0.61	44%	0.439	S	S	*	.			trans	-78.7	104.9	174.2	-84.3	-3.4	0	0	0	109.9	N68 F138	N68-N70 PolarHBondContact ND2-OD1 2.78Å; N68-N70 PolarHBondContact OD1-OD1 3.14Å; N68-N70 VanDerWaalsContact OD1-OD1 3.06Å; N70-F138 WeakPolarHBondContact O-CZ 3.22Å
71	G	69.7	Low	85.7	Confident	42 Å²	42	85.4 Å²	85.4	43%	0.433	45%	0.448	S	S	.	.	S	Bend	trans	142.7	164	174.1	0	0	0	0	0	112.3	V69 L73	V69-G71 PolarHBondContact O-N 2.91Å; G71-L73 PolarHBondContact O-N 3.39Å; G71-L73 VanDerWaalsContact O-N 3.13Å
72	D	76.4	Confident	85.6	Confident	143 Å²	143	88.1 Å²	88.1	77%	0.765	46%	0.462	S	S	*	.			trans	-72	111.6	-179.5	-64.3	-33.6	0	0	0	110.2	I74	D72-I74 PolarHBondContact O-N 3.35Å
73	L	81	Confident	85.6	Confident	57 Å²	57	87 Å²	87	30%	0.298	46%	0.458	S	S	.	.			trans	-67.8	111.8	167	-85	179.3	0	0	0	108.6	V69 G71 D131 A133 K142	V69-L73 HydrophobicContact CG1-CD1 4.41Å; V69-L73 HydrophobicContact CG1-CD2 4.06Å; V69-L73 HydrophobicContact CG1-CG 4.08Å; G71-L73 PolarHBondContact O-N 3.39Å; G71-L73 VanDerWaalsContact O-N 3.13Å; L73-D131 HydrophobicContact CB-CB 3.9Å; L73-D131 HydrophobicContact CD1-CB 4.22Å; L73-D131 HydrophobicContact CD2-CB 3.98Å; L73-D131 HydrophobicContact CG-CB 4.26Å; L73-A133 HydrophobicContact CD2-CB 3.9Å; L73-K142 HydrophobicContact CD1-CD 4.16Å
74	I	85.6	Confident	85.7	Confident	102 Å²	102	85.7 Å²	85.7	52%	0.523	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.3	179.8	-58	172.2	0	0	0	108.5	D72 K76 I132	D72-I74 PolarHBondContact O-N 3.35Å; I74-K76 PolarHBondContact O-N 3.49Å; I74-I132 PolarHBondContact N-O 3.03Å; I74-I132 PolarHBondContact O-N 3.05Å
75	K	87	Confident	85.8	Confident	116 Å²	116	84 Å²	84	50%	0.504	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	129	173.9	-77.1	172.4	-164.7	-134.3	0	111	Y77 D131	K75-Y77 HydrophobicContact CB-CE2 4.12Å; K75-D131 WeakPolarHBondContact CG-OD1 3.4Å
76	K	86.9	Confident	85.9	Confident	44 Å²	44	84.5 Å²	84.5	19%	0.191	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	144.4	172.2	-59.1	-64.5	-179.9	161.5	0	109.5	I74 E81 K129 F130 I132	I74-K76 PolarHBondContact O-N 3.49Å; K76-E81 HydrophobicContact CD-CG 4.43Å; K76-E81 WeakPolarHBondContact CE-OE1 3.5Å; K76-E81 IonicContact NZ-OE1 3.74Å; K76-E81 PolarHBondContact NZ-OE1 3.42Å; K76-E81 IonicContact NZ-OE2 2.68Å; K76-K129 WeakPolarHBondContact O-CA 3.25Å; K76-K129 WeakPolarHBondContact O-CB 3.44Å; K76-F130 HydrophobicContact CB-CD1 4.49Å; K76-F130 HydrophobicContact CB-CE1 4.18Å; K76-F130 HydrophobicContact CB-CE2 4.42Å; K76-F130 HydrophobicContact CB-CZ 4.14Å; K76-F130 PolarHBondContact N-O 3.16Å; K76-F130 PolarHBondContact O-N 3.48Å; K76-I132 HydrophobicContact CG-CD1 3.94Å; K76-I132 HydrophobicContact CG-CG1 4.21Å
77	Y	81.4	Confident	86.4	Confident	164 Å²	164	81.4 Å²	81.4	64%	0.643	42%	0.419	S	S	*	.			trans	-121.2	5.1	-179	-62.1	-90.5	0	0	0	112.2	K75 K129	K75-Y77 HydrophobicContact CB-CE2 4.12Å; Y77-K129 HydrophobicContact CD1-CB 4.12Å; Y77-K129 HydrophobicContact CE1-CB 4.2Å
78	Y	75.1	Confident	86.8	Confident	153 Å²	153	85.4 Å²	85.4	60%	0.6	44%	0.444	S	S	*	.	S	Bend	trans	-84.5	157.5	-178.3	-59.6	-69.7	0	0	0	111.1	A80 F130	Y78-A80 PolarHBondContact O-N 3.37Å; Y78-F130 WeakPolarHBondContact O-CE1 3.43Å
79	V	82.3	Confident	87.5	Confident	113 Å²	113	80.3 Å²	80.3	69%	0.685	42%	0.417	S	S	*	.	S	Bend	trans	-60.4	-38.3	171.7	178.4	0	0	0	0	110.9	S102 N103	V79-S102 VanDerWaalsContact O-CA 3.27Å; V79-S102 WeakPolarHBondContact O-CA 3.34Å; V79-N103 PolarHBondContact O-N 2.85Å
80	A	87.9	Confident	88.3	Confident	47 Å²	47	84.7 Å²	84.7	39%	0.388	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	145.6	175.3	0	0	0	0	0	111.9	Y78 I101	Y78-A80 PolarHBondContact O-N 3.37Å; A80-I101 CarbonylContact C-O 3.48Å; A80-I101 WeakPolarHBondContact CA-O 3.34Å
81	E	93.3	Very high	89.3	Confident	38 Å²	38	79.4 Å²	79.4	18%	0.178	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.5	174.4	-176.9	76.5	173.1	0	0	109.6	K76 V83 I101 F130 I132	K76-E81 HydrophobicContact CD-CG 4.43Å; K76-E81 WeakPolarHBondContact CE-OE1 3.5Å; K76-E81 IonicContact NZ-OE1 3.74Å; K76-E81 PolarHBondContact NZ-OE1 3.42Å; K76-E81 IonicContact NZ-OE2 2.68Å; E81-V83 HydrophobicContact CG-CG2 3.9Å; E81-I101 PolarHBondContact N-O 3.47Å; E81-I101 PolarHBondContact O-N 3.33Å; E81-F130 HydrophobicContact CB-CZ 4.16Å; E81-I132 HydrophobicContact CB-CD1 3.74Å; E81-I132 HydrophobicContact CG-CD1 3.73Å
82	K	95.8	Very high	90.6	Very high	137 Å²	137	77.4 Å²	77.4	60%	0.596	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.1	171.1	-73.4	174.2	166.6	-111.7	0	110.1	E98 L99	K82-E98 HydrophobicContact CB-CG 4.31Å; K82-E98 WeakPolarHBondContact CE-OE1 3.44Å; K82-E98 IonicContact NZ-OE1 2.62Å; K82-E98 PolarHBondContact NZ-OE1 2.88Å; K82-E98 IonicContact NZ-OE2 3.93Å; K82-L99 CarbonylContact C-O 3.5Å; K82-L99 WeakPolarHBondContact CA-O 3.36Å
83	V	96.1	Very high	91.4	Very high	9 Å²	9	71.7 Å²	71.7	6%	0.055	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	118.9	-178.5	179.4	0	0	0	0	109.9	E81 P85 L99 I101 I132 N134 I139	E81-V83 HydrophobicContact CG-CG2 3.9Å; V83-P85 WeakPolarHBondContact O-CD 3.46Å; V83-L99 HydrophobicContact CB-CB 4.45Å; V83-L99 PolarHBondContact N-O 3.47Å; V83-L99 PolarHBondContact O-N 3.04Å; V83-I101 HydrophobicContact CB-CD1 4.14Å; V83-I101 HydrophobicContact CG2-CD1 3.7Å; V83-I132 HydrophobicContact CG2-CD1 4.32Å; V83-I132 HydrophobicContact CG2-CG2 4.41Å; V83-N134 HydrophobicContact CG1-CB 4Å; V83-I139 HydrophobicContact CG1-CD1 4.19Å
84	T	97.9	Very high	92.1	Very high	90 Å²	90	71.5 Å²	71.5	55%	0.552	36%	0.357	S	S	*	.			trans	-86.3	119.7	166.6	-55.8	0	0	0	0	108.9	K86 N134	T84-K86 PolarHBondContact O-N 3.26Å; T84-N134 PolarHBondContact O-ND2 3.3Å
85	P	97.6	Very high	92.6	Very high	16 Å²	16	69.8 Å²	69.8	10%	0.104	36%	0.358	C	S	.	.			trans	-57.4	137.5	175	-23.6	33.9	0	0	0	111.6	V83 F87 L89 V96 L99 I139	V83-P85 WeakPolarHBondContact O-CD 3.46Å; P85-F87 PolarHBondContact O-N 3.13Å; P85-L89 HydrophobicContact CB-CB 4.3Å; P85-L89 HydrophobicContact CB-CD2 4.48Å; P85-L89 HydrophobicContact CG-CB 4.3Å; P85-L89 HydrophobicContact CG-CD2 3.91Å; P85-V96 HydrophobicContact CG-CG1 4.4Å; P85-L99 HydrophobicContact CG-CG 4.49Å; P85-I139 HydrophobicContact CB-CD1 3.97Å; P85-I139 HydrophobicContact CG-CD1 3.97Å
86	K	96.7	Very high	93.1	Very high	120 Å²	120	65 Å²	65	52%	0.522	34%	0.338	S	S	.	.	S	Bend	trans	-77.6	8.3	175.8	-69.1	177.2	178.4	170.9	0	113.6	T84 N134	T84-K86 PolarHBondContact O-N 3.26Å; K86-N134 WeakPolarHBondContact CD-O 3.29Å; K86-N134 VanDerWaalsContact CE-O 3.27Å; K86-N134 WeakPolarHBondContact CE-O 3.14Å; K86-N134 PolarHBondContact NZ-O 3.24Å
87	F	97.3	Very high	93.7	Very high	16 Å²	16	68.5 Å²	68.5	7%	0.07	35%	0.354	C	S	.	.	S	Bend	trans	-146.5	157.8	-174.9	51.7	-94.5	0	0	0	111.4	P85 L89 N136 I139 L162	P85-F87 PolarHBondContact O-N 3.13Å; F87-L89 HydrophobicContact CD2-CB 4.19Å; F87-L89 HydrophobicContact CE2-CB 4.03Å; F87-L89 HydrophobicContact CE2-CD1 4.2Å; F87-L89 PolarHBondContact O-N 3.33Å; F87-L89 VanDerWaalsContact O-N 3.08Å; F87-N136 VanDerWaalsContact CD1-O 3.24Å; F87-N136 WeakPolarHBondContact CD1-O 3.4Å; F87-I139 HydrophobicContact CE1-CG1 4.05Å; F87-I139 HydrophobicContact CZ-CD1 4.36Å; F87-I139 HydrophobicContact CZ-CG1 4.07Å; F87-L162 HydrophobicContact CB-CD1 3.26Å; F87-L162 HydrophobicContact CD2-CB 4.38Å; F87-L162 HydrophobicContact CD2-CD1 3.77Å; F87-L162 HydrophobicContact CG-CD1 3.65Å
88	P	96.5	Very high	94.5	Very high	121 Å²	121	63 Å²	63	79%	0.786	33%	0.334	S	S	*	.			trans	-61.9	112.9	173.1	-19.7	32.6	0	0	0	110.3
89	L	97.7	Very high	95.6	Very high	10 Å²	10	55.8 Å²	55.8	5%	0.052	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	137	178.6	175.5	62	0	0	0	109.9	P85 F87 V96 I160	P85-L89 HydrophobicContact CB-CB 4.3Å; P85-L89 HydrophobicContact CB-CD2 4.48Å; P85-L89 HydrophobicContact CG-CB 4.3Å; P85-L89 HydrophobicContact CG-CD2 3.91Å; F87-L89 HydrophobicContact CD2-CB 4.19Å; F87-L89 HydrophobicContact CE2-CB 4.03Å; F87-L89 HydrophobicContact CE2-CD1 4.2Å; F87-L89 PolarHBondContact O-N 3.33Å; F87-L89 VanDerWaalsContact O-N 3.08Å; L89-V96 HydrophobicContact CB-CB 4.1Å; L89-V96 HydrophobicContact CB-CG2 4.43Å; L89-V96 HydrophobicContact CD2-CB 3.98Å; L89-V96 HydrophobicContact CD2-CG1 4.01Å; L89-V96 HydrophobicContact CD2-CG2 4.03Å; L89-V96 HydrophobicContact CG-CB 3.95Å; L89-V96 HydrophobicContact CG-CG2 3.82Å; L89-V96 PolarHBondContact O-N 3.38Å; L89-I160 HydrophobicContact CD1-CG2 3.54Å; L89-I160 HydrophobicContact CD2-CG2 3.81Å; L89-I160 HydrophobicContact CG-CG2 4.35Å
90	K	96.4	Very high	96.3	Very high	126 Å²	126	51.4 Å²	51.4	55%	0.548	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.4	169.4	-67.7	-176.1	176.6	-172.8	0	110.8	Q94	K90-Q94 CarbonylContact C-O 3.56Å; K90-Q94 WeakPolarHBondContact CA-O 3.46Å
91	Y	97.4	Very high	96.7	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123.5	175.2	179.9	-97.8	0	0	0	109.5	Y56 G93 Q94 I109 Q117 I118 M166 D187	Y56-Y91 WeakPolarHBondContact OH-CA 3.16Å; Y91-G93 PolarHBondContact O-N 3.38Å; Y91-G93 VanDerWaalsContact O-N 3.15Å; Y91-Q94 PolarHBondContact N-O 3.25Å; Y91-Q94 WeakPolarHBondContact O-CB 3.29Å; Y91-Q94 PolarHBondContact O-N 3Å; Y91-I109 HydrophobicContact CD1-CD1 3.63Å; Y91-I109 HydrophobicContact CD1-CG2 4.3Å; Y91-I109 HydrophobicContact CD2-CD1 3.26Å; Y91-I109 HydrophobicContact CE1-CD1 3.66Å; Y91-I109 HydrophobicContact CE2-CD1 3.27Å; Y91-I109 HydrophobicContact CG-CD1 3.41Å; Y91-I109 VanDerWaalsContact CG-CD1 3.41Å; Y91-I109 HydrophobicContact CG-CG2 4.2Å; Y91-I109 VanDerWaalsContact CZ-CD1 3.46Å; Y91-Q117 PolarHBondContact OH-O 2.94Å; Y91-I118 HydrophobicContact CE2-CG1 4.37Å; Y91-M166 HydrophobicContact CD2-CE 4.08Å; Y91-M166 HydrophobicContact CD2-SD 3.98Å; Y91-M166 HydrophobicContact CE2-CE 3.88Å; Y91-M166 HydrophobicContact CE2-SD 3.99Å; Y91-D187 VanDerWaalsContact CE1-O 3.26Å; Y91-D187 WeakPolarHBondContact CE1-O 3.4Å; Y91-D187 VanDerWaalsContact OH-C 3.3Å; Y91-D187 PolarHBondContact OH-N 3.33Å; Y91-D187 PolarHBondContact OH-O 3.07Å
92	Y	96.4	Very high	96.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	35.5	-169.4	-77.5	-110.5	0	0	0	112.5	E55 Y56 Q94 I186 Y188 Y204 N205 T263	E55-Y92 HydrophobicContact CB-CD1 3.69Å; E55-Y92 HydrophobicContact CB-CE1 4.08Å; E55-Y92 HydrophobicContact CB-CG 4.23Å; E55-Y92 HydrophobicContact CG-CD1 3.55Å; E55-Y92 HydrophobicContact CG-CE1 4.22Å; E55-Y92 HydrophobicContact CG-CG 4.26Å; Y56-Y92 HydrophobicContact CD2-CD2 4.27Å; Y56-Y92 HydrophobicContact CD2-CE2 4.06Å; Y56-Y92 AromaticContact CE2-CD2 3.47Å; Y56-Y92 HydrophobicContact CE2-CD2 3.47Å; Y56-Y92 VanDerWaalsContact CE2-CD2 3.47Å; Y56-Y92 AromaticContact CE2-CE2 3.63Å; Y56-Y92 HydrophobicContact CE2-CE2 3.63Å; Y56-Y92 AromaticContact CE2-CG 3.96Å; Y56-Y92 HydrophobicContact CE2-CG 3.96Å; Y56-Y92 PolarHBondContact OH-N 3.42Å; Y92-Q94 PolarHBondContact O-N 2.9Å; Y92-I186 HydrophobicContact CE2-CD1 4.25Å; Y92-I186 HydrophobicContact CE2-CG1 4.42Å; Y92-I186 PolarHBondContact OH-O 2.85Å; Y92-Y188 HydrophobicContact CD1-CG 4.48Å; Y92-Y188 HydrophobicContact CG-CD2 4.23Å; Y92-Y188 HydrophobicContact CG-CG 4.42Å; Y92-Y204 HydrophobicContact CD1-CD1 4.46Å; Y92-Y204 HydrophobicContact CD1-CE1 4.36Å; Y92-N205 HydrophobicContact CE1-CB 4.48Å; Y92-N205 PolarHBondContact OH-O 3.18Å; Y92-N205 VanDerWaalsContact OH-O 3.07Å; Y92-T263 HydrophobicContact CD1-CG2 4.37Å; Y92-T263 WeakPolarHBondContact O-CG2 3.29Å; Y92-T263 PolarHBondContact O-OG1 2.92Å
93	G	93.9	Very high	96.8	Very high	22 Å²	22	43.2 Å²	43.2	23%	0.227	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-13.7	-175.4	0	0	0	0	0	115.7	Y91	Y91-G93 PolarHBondContact O-N 3.38Å; Y91-G93 VanDerWaalsContact O-N 3.15Å
94	Q	94.5	Very high	96.7	Very high	53 Å²	53	45.7 Å²	45.7	25%	0.248	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	141.4	-177.3	-57.3	-55.4	-51.6	0	0	111.9	K90 Y91 Y92 I115 Y188	K90-Q94 CarbonylContact C-O 3.56Å; K90-Q94 WeakPolarHBondContact CA-O 3.46Å; Y91-Q94 PolarHBondContact N-O 3.25Å; Y91-Q94 WeakPolarHBondContact O-CB 3.29Å; Y91-Q94 PolarHBondContact O-N 3Å; Y92-Q94 PolarHBondContact O-N 2.9Å; Q94-I115 HydrophobicContact CB-CD1 3.94Å; Q94-Y188 HydrophobicContact CB-CE2 4.42Å; Q94-Y188 HydrophobicContact CG-CE2 3.62Å
95	A	96.3	Very high	96.5	Very high	66 Å²	66	41.4 Å²	41.4	55%	0.545	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	132.8	178.4	0	0	0	0	0	111.5
96	V	98.3	Very high	96.5	Very high	17 Å²	17	41.7 Å²	41.7	10%	0.103	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.5	177.4	-177.5	0	0	0	0	109.6	P85 L89 L99 I109 I115	P85-V96 HydrophobicContact CG-CG1 4.4Å; L89-V96 HydrophobicContact CB-CB 4.1Å; L89-V96 HydrophobicContact CB-CG2 4.43Å; L89-V96 HydrophobicContact CD2-CB 3.98Å; L89-V96 HydrophobicContact CD2-CG1 4.01Å; L89-V96 HydrophobicContact CD2-CG2 4.03Å; L89-V96 HydrophobicContact CG-CB 3.95Å; L89-V96 HydrophobicContact CG-CG2 3.82Å; L89-V96 PolarHBondContact O-N 3.38Å; V96-L99 HydrophobicContact CG1-CD2 3.8Å; V96-L99 HydrophobicContact CG1-CG 4.48Å; V96-I109 HydrophobicContact CB-CG2 4.25Å; V96-I109 HydrophobicContact CG1-CG2 3.73Å; V96-I109 HydrophobicContact CG2-CG2 3.55Å; V96-I115 HydrophobicContact CG2-CD1 4.17Å
97	K	98.3	Very high	96.5	Very high	117 Å²	117	36 Å²	36	51%	0.509	21%	0.207	S	C	.	.			trans	-104.9	-40.5	174.7	-65.6	-172.1	178.8	-178	0	112.4	H110 D112	K97-H110 PolarHBondContact N-O 3.09Å; K97-D112 WeakPolarHBondContact CE-OD1 3.37Å; K97-D112 IonicContact NZ-OD1 3.66Å; K97-D112 PolarHBondContact NZ-OD1 2.86Å
98	E	98.3	Very high	96.6	Very high	49 Å²	49	38.5 Å²	38.5	23%	0.229	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	146.9	-176.2	-178	177.2	90.6	0	0	110.3	K82 H110	K82-E98 HydrophobicContact CB-CG 4.31Å; K82-E98 WeakPolarHBondContact CE-OE1 3.44Å; K82-E98 IonicContact NZ-OE1 2.62Å; K82-E98 PolarHBondContact NZ-OE1 2.88Å; K82-E98 IonicContact NZ-OE2 3.93Å; E98-H110 HydrophobicContact CB-CB 4.33Å; E98-H110 PolarHBondContact N-O 3.22Å; E98-H110 VanDerWaalsContact N-O 3.14Å; E98-H110 WeakPolarHBondContact O-CB 3.32Å; E98-H110 PolarHBondContact O-N 2.98Å
99	L	98.3	Very high	96.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.4	166.4	-56	178.1	0	0	0	108.4	K82 V83 P85 V96 I101 I107 E108 I109 I139 I160	K82-L99 CarbonylContact C-O 3.5Å; K82-L99 WeakPolarHBondContact CA-O 3.36Å; V83-L99 HydrophobicContact CB-CB 4.45Å; V83-L99 PolarHBondContact N-O 3.47Å; V83-L99 PolarHBondContact O-N 3.04Å; P85-L99 HydrophobicContact CG-CG 4.49Å; V96-L99 HydrophobicContact CG1-CD2 3.8Å; V96-L99 HydrophobicContact CG1-CG 4.48Å; L99-I101 HydrophobicContact CB-CD1 4.43Å; L99-I101 HydrophobicContact CB-CG1 4.22Å; L99-I107 HydrophobicContact CB-CG2 4.15Å; L99-I107 HydrophobicContact CD2-CG2 4.26Å; L99-E108 CarbonylContact C-O 3.52Å; L99-E108 WeakPolarHBondContact CA-O 3.47Å; L99-I109 HydrophobicContact CD2-CB 4.34Å; L99-I109 HydrophobicContact CD2-CG1 4.04Å; L99-I109 HydrophobicContact CD2-CG2 4.07Å; L99-I139 HydrophobicContact CD1-CD1 3.64Å; L99-I160 HydrophobicContact CD1-CD1 3.67Å
100	S	97.5	Very high	96.7	Very high	22 Å²	22	34.5 Å²	34.5	15%	0.154	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	111.6	164.9	-166	0	0	0	0	108.6	I107 E108	S100-I107 CarbonylContact O-C 3.55Å; S100-I107 WeakPolarHBondContact O-CA 3.45Å; S100-E108 PolarHBondContact N-O 2.96Å; S100-E108 PolarHBondContact O-N 3.11Å
101	I	97.3	Very high	96.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.3	-172.7	-59.1	161.6	0	0	0	107.9	A80 E81 V83 L99 I107 F130 I132 I141 W143	A80-I101 CarbonylContact C-O 3.48Å; A80-I101 WeakPolarHBondContact CA-O 3.34Å; E81-I101 PolarHBondContact N-O 3.47Å; E81-I101 PolarHBondContact O-N 3.33Å; V83-I101 HydrophobicContact CB-CD1 4.14Å; V83-I101 HydrophobicContact CG2-CD1 3.7Å; L99-I101 HydrophobicContact CB-CD1 4.43Å; L99-I101 HydrophobicContact CB-CG1 4.22Å; I101-I107 HydrophobicContact CG1-CG1 4.43Å; I101-I107 HydrophobicContact CG1-CG2 4.01Å; I101-F130 HydrophobicContact CB-CE2 4.22Å; I101-F130 HydrophobicContact CG2-CD2 4.14Å; I101-F130 HydrophobicContact CG2-CE2 3.5Å; I101-F130 HydrophobicContact CG2-CZ 4.28Å; I101-F130 WeakPolarHBondContact O-CZ 3.48Å; I101-I132 HydrophobicContact CB-CD1 4.46Å; I101-I132 HydrophobicContact CD1-CD1 3.98Å; I101-I132 HydrophobicContact CG2-CD1 4.4Å; I101-I141 HydrophobicContact CD1-CD1 4.29Å; I101-I141 HydrophobicContact CD1-CG1 3.84Å; I101-I141 HydrophobicContact CG1-CG1 4.5Å; I101-I141 HydrophobicContact CG2-CG1 4.16Å; I101-I141 HydrophobicContact CG2-CG2 3.86Å; I101-W143 HydrophobicContact CG2-CH2 4.32Å; I101-W143 HydrophobicContact CG2-CZ2 3.66Å
102	S	95.5	Very high	96.6	Very high	17 Å²	17	35.6 Å²	35.6	12%	0.119	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	155.2	178.6	72.5	0	0	0	0	112.5	V79 S104 G105 V106 W143	V79-S102 VanDerWaalsContact O-CA 3.27Å; V79-S102 WeakPolarHBondContact O-CA 3.34Å; S102-S104 PolarHBondContact O-N 2.86Å; S102-S104 PolarHBondContact OG-N 2.82Å; S102-S104 PolarHBondContact OG-OG 3.38Å; S102-G105 PolarHBondContact O-N 2.85Å; S102-V106 PolarHBondContact N-O 3.28Å; S102-V106 WeakPolarHBondContact OG-CB 3.35Å; S102-V106 PolarHBondContact OG-N 2.83Å; S102-V106 VanDerWaalsContact OG-N 3.16Å; S102-V106 PolarHBondContact OG-O 2.73Å; S102-W143 PolarHBondContact O-NE1 2.8Å
103	N	94.5	Very high	96.5	Very high	32 Å²	32	38.7 Å²	38.7	17%	0.171	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.6	169	66.4	-2.7	0	0	0	112.7	V79 G105 F126 E128 F130	V79-N103 PolarHBondContact O-N 2.85Å; N103-G105 PolarHBondContact O-N 2.84Å; N103-G105 VanDerWaalsContact O-N 3.16Å; N103-F126 WeakPolarHBondContact O-CB 3.33Å; N103-E128 WeakPolarHBondContact CB-O 3.4Å; N103-E128 PolarHBondContact ND2-O 3.14Å; N103-F130 HydrophobicContact CB-CD1 3.64Å; N103-F130 HydrophobicContact CB-CE1 3.8Å
104	S	93.3	Very high	96.7	Very high	61 Å²	61	39.2 Å²	39.2	43%	0.427	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	7.7	177.6	63.7	0	0	0	0	114.9	S102	S102-S104 PolarHBondContact O-N 2.86Å; S102-S104 PolarHBondContact OG-N 2.82Å; S102-S104 PolarHBondContact OG-OG 3.38Å
105	G	95	Very high	96.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.01	21%	0.21	C	C	.	.	S	Bend	trans	73	32.9	-178.8	0	0	0	0	0	112.9	S102 N103 I120	S102-G105 PolarHBondContact O-N 2.85Å; N103-G105 PolarHBondContact O-N 2.84Å; N103-G105 VanDerWaalsContact O-N 3.16Å; G105-I120 WeakPolarHBondContact O-CB 3.45Å; G105-I120 VanDerWaalsContact O-CG1 3.29Å; G105-I120 WeakPolarHBondContact O-CG1 3.27Å; G105-I120 PolarHBondContact O-N 3.01Å
106	V	96.7	Very high	96.9	Very high	22 Å²	22	34.2 Å²	34.2	13%	0.133	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.8	173.6	-178.2	0	0	0	0	109.1	S102 Q117 I118	S102-V106 PolarHBondContact N-O 3.28Å; S102-V106 WeakPolarHBondContact OG-CB 3.35Å; S102-V106 PolarHBondContact OG-N 2.83Å; S102-V106 VanDerWaalsContact OG-N 3.16Å; S102-V106 PolarHBondContact OG-O 2.73Å; V106-Q117 HydrophobicContact CG1-CG 3.79Å; V106-I118 WeakPolarHBondContact CA-O 3.33Å
107	I	98.1	Very high	96.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	118.7	168.1	-46.8	174	0	0	0	107.6	L99 S100 I101 Q117 I118 I141 W143 Y158	L99-I107 HydrophobicContact CB-CG2 4.15Å; L99-I107 HydrophobicContact CD2-CG2 4.26Å; S100-I107 CarbonylContact O-C 3.55Å; S100-I107 WeakPolarHBondContact O-CA 3.45Å; I101-I107 HydrophobicContact CG1-CG1 4.43Å; I101-I107 HydrophobicContact CG1-CG2 4.01Å; I107-Q117 WeakPolarHBondContact O-CA 3.49Å; I107-I118 HydrophobicContact CB-CB 4.09Å; I107-I118 HydrophobicContact CB-CD1 4.2Å; I107-I118 HydrophobicContact CD1-CD1 4.07Å; I107-I118 HydrophobicContact CD1-CG2 4.48Å; I107-I118 HydrophobicContact CG1-CB 4.47Å; I107-I118 PolarHBondContact N-O 2.63Å; I107-I118 PolarHBondContact O-N 3.23Å; I107-I141 HydrophobicContact CD1-CD1 4.1Å; I107-W143 HydrophobicContact CD1-CH2 3.99Å; I107-W143 HydrophobicContact CG1-CH2 3.95Å; I107-W143 HydrophobicContact CG1-CZ2 4.36Å; I107-Y158 HydrophobicContact CD1-CD1 3.81Å; I107-Y158 HydrophobicContact CD1-CE1 4.12Å; I107-Y158 HydrophobicContact CD1-CG 4.34Å
108	E	98.3	Very high	96.8	Very high	69 Å²	69	29.2 Å²	29.2	32%	0.322	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	137.3	166.8	-58.3	-173.3	159.2	0	0	109.9	L99 S100 H110 L114	L99-E108 CarbonylContact C-O 3.52Å; L99-E108 WeakPolarHBondContact CA-O 3.47Å; S100-E108 PolarHBondContact N-O 2.96Å; S100-E108 PolarHBondContact O-N 3.11Å; E108-H110 WeakPolarHBondContact CB-NE2 3.23Å; E108-H110 IonicContact OE2-CE1 2.73Å; E108-H110 IonicContact OE2-NE2 3.68Å; E108-H110 PolarHBondContact OE2-NE2 2.62Å; E108-H110 VanDerWaalsContact OE2-NE2 3.11Å; E108-L114 HydrophobicContact CB-CD1 3.97Å; E108-L114 HydrophobicContact CG-CD1 4.46Å
109	I	98.6	Very high	96.8	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.015	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.2	-175.9	-51.7	178.7	0	0	0	107.6	Y91 V96 L99 I115 G116 I118	Y91-I109 HydrophobicContact CD1-CD1 3.63Å; Y91-I109 HydrophobicContact CD1-CG2 4.3Å; Y91-I109 HydrophobicContact CD2-CD1 3.26Å; Y91-I109 HydrophobicContact CE1-CD1 3.66Å; Y91-I109 HydrophobicContact CE2-CD1 3.27Å; Y91-I109 HydrophobicContact CG-CD1 3.41Å; Y91-I109 VanDerWaalsContact CG-CD1 3.41Å; Y91-I109 HydrophobicContact CG-CG2 4.2Å; Y91-I109 VanDerWaalsContact CZ-CD1 3.46Å; V96-I109 HydrophobicContact CB-CG2 4.25Å; V96-I109 HydrophobicContact CG1-CG2 3.73Å; V96-I109 HydrophobicContact CG2-CG2 3.55Å; L99-I109 HydrophobicContact CD2-CB 4.34Å; L99-I109 HydrophobicContact CD2-CG1 4.04Å; L99-I109 HydrophobicContact CD2-CG2 4.07Å; I109-I115 HydrophobicContact CB-CG1 4.24Å; I109-I115 HydrophobicContact CG2-CD1 3.91Å; I109-I115 HydrophobicContact CG2-CG1 3.82Å; I109-I115 WeakPolarHBondContact O-CG1 3.25Å; I109-I115 PolarHBondContact O-N 2.83Å; I109-G116 PolarHBondContact N-O 3.13Å; I109-G116 PolarHBondContact O-N 3.13Å; I109-I118 HydrophobicContact CD1-CD1 3.77Å; I109-I118 HydrophobicContact CD1-CG1 4.09Å; I109-I118 HydrophobicContact CG1-CD1 4.43Å
110	H	98.5	Very high	96.6	Very high	44 Å²	44	28.2 Å²	28.2	20%	0.204	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.7	-173.5	-66.7	-90.1	0	0	0	110.6	K97 E98 E108	K97-H110 PolarHBondContact N-O 3.09Å; E98-H110 HydrophobicContact CB-CB 4.33Å; E98-H110 PolarHBondContact N-O 3.22Å; E98-H110 VanDerWaalsContact N-O 3.14Å; E98-H110 WeakPolarHBondContact O-CB 3.32Å; E98-H110 PolarHBondContact O-N 2.98Å; E108-H110 WeakPolarHBondContact CB-NE2 3.23Å; E108-H110 IonicContact OE2-CE1 2.73Å; E108-H110 IonicContact OE2-NE2 3.68Å; E108-H110 PolarHBondContact OE2-NE2 2.62Å; E108-H110 VanDerWaalsContact OE2-NE2 3.11Å
111	G	96.9	Very high	96.3	Very high	13 Å²	13	27.4 Å²	27.4	13%	0.134	15%	0.151	C	C	.	.	S	Bend	trans	-96	-122.8	162.8	0	0	0	0	0	108.8	D113	G111-D113 VanDerWaalsContact C-N 3.32Å; G111-D113 PolarHBondContact N-O 2.8Å
112	D	94.2	Very high	95.8	Very high	139 Å²	139	30.8 Å²	30.8	74%	0.743	17%	0.166	S	C	*	.	S	Bend	trans	-73	-28.9	164	-71.7	-40.5	0	0	0	112.7	K97	K97-D112 WeakPolarHBondContact CE-OD1 3.37Å; K97-D112 IonicContact NZ-OD1 3.66Å; K97-D112 PolarHBondContact NZ-OD1 2.86Å
113	D	94.5	Very high	95.2	Very high	66 Å²	66	35.6 Å²	35.6	35%	0.353	19%	0.185	S	C	.	.	S	Bend	trans	-127.5	179.8	173.1	-70.5	-69.4	0	0	0	108.6	G111 I115 K191 F201	G111-D113 VanDerWaalsContact C-N 3.32Å; G111-D113 PolarHBondContact N-O 2.8Å; D113-I115 PolarHBondContact O-N 2.95Å; D113-K191 HydrophobicContact CB-CD 4.37Å; D113-K191 IonicContact OD1-NZ 3.27Å; D113-K191 PolarHBondContact OD1-NZ 2.9Å; D113-K191 VanDerWaalsContact OD2-CD 3.28Å; D113-K191 WeakPolarHBondContact OD2-CD 3.22Å; D113-K191 IonicContact OD2-NZ 3.59Å; D113-K191 PolarHBondContact OD2-NZ 2.79Å; D113-F201 HydrophobicContact CB-CE1 3.85Å; D113-F201 HydrophobicContact CB-CZ 4.05Å
114	L	97.1	Very high	94.8	Very high	33 Å²	33	34.7 Å²	34.7	17%	0.173	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	121.8	164.5	179.3	69.6	0	0	0	109.4	E108 G116 R189 F201	E108-L114 HydrophobicContact CB-CD1 3.97Å; E108-L114 HydrophobicContact CG-CD1 4.46Å; L114-G116 WeakPolarHBondContact CD1-O 3.41Å; L114-R189 HydrophobicContact CD2-CB 4.13Å; L114-R189 HydrophobicContact CD2-CG 4.01Å; L114-R189 HydrophobicContact CG-CB 3.96Å; L114-R189 HydrophobicContact CG-CG 4.09Å; L114-F201 HydrophobicContact CB-CD1 4.02Å; L114-F201 HydrophobicContact CB-CE1 4.01Å; L114-F201 HydrophobicContact CB-CG 4.39Å; L114-F201 HydrophobicContact CB-CZ 4.37Å; L114-F201 HydrophobicContact CD2-CB 4.15Å; L114-F201 HydrophobicContact CD2-CG 4.2Å; L114-F201 VanDerWaalsContact O-CD1 3.32Å; L114-F201 WeakPolarHBondContact O-CD1 3.32Å; L114-F201 VanDerWaalsContact O-CE1 3.3Å; L114-F201 WeakPolarHBondContact O-CE1 3.24Å
115	I	96.9	Very high	94.7	Very high	14 Å²	14	33.5 Å²	33.5	7%	0.072	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-15.2	-179.8	59.5	167.6	0	0	0	113.1	Q94 V96 I109 D113 Y188 R189	Q94-I115 HydrophobicContact CB-CD1 3.94Å; V96-I115 HydrophobicContact CG2-CD1 4.17Å; I109-I115 HydrophobicContact CB-CG1 4.24Å; I109-I115 HydrophobicContact CG2-CD1 3.91Å; I109-I115 HydrophobicContact CG2-CG1 3.82Å; I109-I115 WeakPolarHBondContact O-CG1 3.25Å; I109-I115 PolarHBondContact O-N 2.83Å; D113-I115 PolarHBondContact O-N 2.95Å; I115-Y188 HydrophobicContact CB-CE2 3.93Å; I115-Y188 WeakPolarHBondContact O-CA 3.28Å; I115-Y188 WeakPolarHBondContact O-CD2 3.34Å; I115-Y188 WeakPolarHBondContact O-CE2 3.4Å; I115-R189 PolarHBondContact O-N 3.43Å
116	G	97.9	Very high	94.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	162.2	-176	0	0	0	0	0	114.1	I109 L114 D187	I109-G116 PolarHBondContact N-O 3.13Å; I109-G116 PolarHBondContact O-N 3.13Å; L114-G116 WeakPolarHBondContact CD1-O 3.41Å; G116-D187 VanDerWaalsContact CA-O 3.31Å; G116-D187 WeakPolarHBondContact CA-O 3.44Å
117	Q	97.8	Very high	94.4	Very high	27 Å²	27	34.8 Å²	34.8	13%	0.126	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	137.2	172.7	-157.4	171.7	47.1	0	0	111	Y91 V106 I107 H119 D187 R189	Y91-Q117 PolarHBondContact OH-O 2.94Å; V106-Q117 HydrophobicContact CG1-CG 3.79Å; I107-Q117 WeakPolarHBondContact O-CA 3.49Å; Q117-H119 PolarHBondContact OE1-NE2 2.99Å; Q117-D187 WeakPolarHBondContact CB-OD1 3.4Å; Q117-D187 PolarHBondContact N-O 3.24Å; Q117-D187 PolarHBondContact O-N 3.3Å; Q117-R189 HydrophobicContact CB-CG 4.37Å
118	I	98.1	Very high	94.2	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.4	171	-61.7	157.3	0	0	0	106.8	Y91 V106 I107 I109 I120 Y158 M166 I186	Y91-I118 HydrophobicContact CE2-CG1 4.37Å; V106-I118 WeakPolarHBondContact CA-O 3.33Å; I107-I118 HydrophobicContact CB-CB 4.09Å; I107-I118 HydrophobicContact CB-CD1 4.2Å; I107-I118 HydrophobicContact CD1-CD1 4.07Å; I107-I118 HydrophobicContact CD1-CG2 4.48Å; I107-I118 HydrophobicContact CG1-CB 4.47Å; I107-I118 PolarHBondContact N-O 2.63Å; I107-I118 PolarHBondContact O-N 3.23Å; I109-I118 HydrophobicContact CD1-CD1 3.77Å; I109-I118 HydrophobicContact CD1-CG1 4.09Å; I109-I118 HydrophobicContact CG1-CD1 4.43Å; I118-I120 HydrophobicContact CG2-CD1 3.86Å; I118-Y158 HydrophobicContact CD1-CE1 3.75Å; I118-Y158 WeakPolarHBondContact CD1-OH 3.06Å; I118-Y158 HydrophobicContact CG2-CD2 4.36Å; I118-Y158 HydrophobicContact CG2-CE1 4.49Å; I118-Y158 HydrophobicContact CG2-CE2 3.72Å; I118-M166 HydrophobicContact CD1-SD 4.13Å; I118-I186 HydrophobicContact CB-CG2 4.26Å; I118-I186 HydrophobicContact CG1-CB 4.32Å; I118-I186 HydrophobicContact CG1-CG2 3.77Å; I118-I186 HydrophobicContact CG2-CG2 4.03Å
119	H	97	Very high	93.9	Very high	28 Å²	28	42.7 Å²	42.7	13%	0.13	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	109.7	171.9	-79.2	-99.1	0	0	0	108.4	Q117 S184 W185	Q117-H119 PolarHBondContact OE1-NE2 2.99Å; H119-S184 WeakPolarHBondContact O-CA 3.5Å; H119-S184 PolarHBondContact O-OG 2.85Å; H119-W185 HydrophobicContact CB-CD2 3.83Å; H119-W185 HydrophobicContact CB-CE3 4.1Å; H119-W185 HydrophobicContact CB-CG 4.38Å; H119-W185 HydrophobicContact CB-CH2 4.06Å; H119-W185 HydrophobicContact CB-CZ2 3.78Å; H119-W185 HydrophobicContact CB-CZ3 4.19Å; H119-W185 AromaticContact CD2-CE2 3.45Å; H119-W185 VanDerWaalsContact CD2-CE2 3.45Å; H119-W185 AromaticContact CD2-CZ2 3.4Å; H119-W185 VanDerWaalsContact CD2-CZ2 3.4Å; H119-W185 WeakPolarHBondContact CD2-CZ2 3.23Å; H119-W185 AromaticContact CD2-NE1 3.37Å; H119-W185 PolarHBondContact CD2-NE1 3.41Å; H119-W185 AromaticContact CE1-CZ2 3.98Å; H119-W185 AromaticContact CG-CE2 3.56Å; H119-W185 AromaticContact CG-CH2 3.88Å; H119-W185 AromaticContact CG-CZ2 3.35Å; H119-W185 AromaticContact CG-NE1 3.91Å; H119-W185 PolarHBondContact N-O 3Å; H119-W185 AromaticContact ND1-CZ2 3.74Å; H119-W185 AromaticContact NE2-CZ2 3.77Å; H119-W185 PolarHBondContact O-N 3Å
120	I	95.4	Very high	93.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-56.2	179.3	-56.6	-59.1	0	0	0	109.3	G105 I118 F126 W143 V156 Y158 L168 S184	G105-I120 WeakPolarHBondContact O-CB 3.45Å; G105-I120 VanDerWaalsContact O-CG1 3.29Å; G105-I120 WeakPolarHBondContact O-CG1 3.27Å; G105-I120 PolarHBondContact O-N 3.01Å; I118-I120 HydrophobicContact CG2-CD1 3.86Å; I120-F126 HydrophobicContact CG2-CZ 4.23Å; I120-W143 HydrophobicContact CD1-CH2 4.3Å; I120-W143 HydrophobicContact CD1-CZ3 4.01Å; I120-W143 HydrophobicContact CG1-CE3 4.24Å; I120-W143 HydrophobicContact CG1-CH2 3.92Å; I120-W143 HydrophobicContact CG1-CZ3 3.75Å; I120-V156 HydrophobicContact CG2-CB 4.24Å; I120-V156 HydrophobicContact CG2-CG2 3.77Å; I120-Y158 HydrophobicContact CD1-CD2 3.3Å; I120-Y158 HydrophobicContact CD1-CE2 3.95Å; I120-Y158 HydrophobicContact CD1-CG 3.85Å; I120-L168 HydrophobicContact CD1-CD1 4.25Å; I120-L168 HydrophobicContact CD1-CD2 4.35Å; I120-L168 HydrophobicContact CG2-CD1 4.09Å; I120-L168 HydrophobicContact CG2-CD2 4.42Å; I120-S184 WeakPolarHBondContact O-CB 3.46Å; I120-S184 PolarHBondContact O-OG 3.32Å
121	F	90.9	Very high	93.5	Very high	5 Å²	5	41.3 Å²	41.3	2%	0.022	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	115.8	174.3	-71.9	-43.2	0	0	0	111.1	I124 F126 V156 F170 I173 L182 E183 I214	F121-I124 HydrophobicContact CB-CB 3.93Å; F121-I124 HydrophobicContact CB-CD1 3.44Å; F121-I124 VanDerWaalsContact CB-CD1 3.44Å; F121-I124 HydrophobicContact CB-CG1 3.74Å; F121-I124 HydrophobicContact CD1-CD1 4.29Å; F121-I124 HydrophobicContact CD2-CD1 3.34Å; F121-I124 HydrophobicContact CD2-CG1 4.49Å; F121-I124 HydrophobicContact CE2-CD1 4.07Å; F121-I124 HydrophobicContact CG-CD1 3.44Å; F121-I124 VanDerWaalsContact CG-CD1 3.44Å; F121-I124 HydrophobicContact CG-CG1 4.3Å; F121-F126 HydrophobicContact CB-CE2 4.31Å; F121-F126 HydrophobicContact CB-CZ 4.11Å; F121-F126 AromaticContact CD2-CZ 3.9Å; F121-F126 HydrophobicContact CD2-CZ 3.9Å; F121-F126 HydrophobicContact CG-CZ 4.48Å; F121-V156 HydrophobicContact CD2-CG1 4.18Å; F121-V156 HydrophobicContact CE2-CG1 3.45Å; F121-V156 VanDerWaalsContact CE2-CG1 3.45Å; F121-V156 HydrophobicContact CZ-CG1 4.22Å; F121-F170 HydrophobicContact CE1-CD1 4.42Å; F121-F170 AromaticContact CE1-CE1 3.68Å; F121-F170 HydrophobicContact CE1-CE1 3.68Å; F121-F170 AromaticContact CE1-CZ 3.89Å; F121-F170 HydrophobicContact CE1-CZ 3.89Å; F121-F170 HydrophobicContact CE2-CD1 4.13Å; F121-F170 HydrophobicContact CE2-CE1 4.04Å; F121-F170 AromaticContact CZ-CD1 3.52Å; F121-F170 HydrophobicContact CZ-CD1 3.52Å; F121-F170 AromaticContact CZ-CE1 3.19Å; F121-F170 HydrophobicContact CZ-CE1 3.19Å; F121-F170 HydrophobicContact CZ-CE2 4.49Å; F121-F170 HydrophobicContact CZ-CG 4.28Å; F121-F170 AromaticContact CZ-CZ 3.78Å; F121-F170 HydrophobicContact CZ-CZ 3.78Å; F121-I173 HydrophobicContact CE2-CD1 3.42Å; F121-I173 VanDerWaalsContact CE2-CD1 3.42Å; F121-I173 HydrophobicContact CZ-CD1 3.48Å; F121-I173 VanDerWaalsContact CZ-CD1 3.48Å; F121-L182 HydrophobicContact CB-CD1 3.75Å; F121-L182 HydrophobicContact CD1-CD1 3.58Å; F121-L182 HydrophobicContact CD1-CD2 3.75Å; F121-L182 HydrophobicContact CD1-CG 3.82Å; F121-L182 HydrophobicContact CE1-CD1 4.43Å; F121-L182 HydrophobicContact CE1-CD2 3.76Å; F121-L182 HydrophobicContact CE1-CG 4.29Å; F121-L182 HydrophobicContact CG-CD1 3.82Å; F121-L182 HydrophobicContact CG-CD2 4.49Å; F121-L182 HydrophobicContact CZ-CD2 4.37Å; F121-E183 CarbonylContact C-O 3.54Å; F121-E183 WeakPolarHBondContact CA-O 3.04Å; F121-I214 HydrophobicContact CE1-CD1 4.25Å; F121-I214 HydrophobicContact CE1-CG2 3.41Å; F121-I214 VanDerWaalsContact CE1-CG2 3.41Å; F121-I214 HydrophobicContact CZ-CG2 3.6Å
122	Q	86.8	Confident	93.4	Very high	70 Å²	70	41 Å²	41	33%	0.327	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	137.5	169.3	-156.5	-172.3	8.7	0	0	109.6	I124 E183 W185	Q122-I124 VanDerWaalsContact C-N 3.29Å; Q122-I124 PolarHBondContact O-N 3.24Å; Q122-E183 HydrophobicContact CB-CB 4.15Å; Q122-E183 PolarHBondContact N-O 3.41Å; Q122-E183 PolarHBondContact OE1-OE2 2.85Å; Q122-E183 VanDerWaalsContact OE1-OE2 3.12Å; Q122-W185 HydrophobicContact CB-CH2 3.98Å; Q122-W185 HydrophobicContact CB-CZ3 3.83Å; Q122-W185 HydrophobicContact CG-CH2 4.02Å; Q122-W185 HydrophobicContact CG-CZ3 4.33Å
123	K	82.3	Confident	93.4	Very high	119 Å²	119	34.4 Å²	34.4	52%	0.517	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	4.6	176	-49.8	170.7	-174	154.7	0	116.3	N181	K123-N181 PolarHBondContact NZ-O 2.78Å
124	I	86.5	Confident	93.5	Very high	13 Å²	13	33 Å²	33	7%	0.067	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-88.9	133.5	169.8	-64	-172.9	0	0	0	110	F121 Q122 F126 V145 Y150 I177 L182	F121-I124 HydrophobicContact CB-CB 3.93Å; F121-I124 HydrophobicContact CB-CD1 3.44Å; F121-I124 VanDerWaalsContact CB-CD1 3.44Å; F121-I124 HydrophobicContact CB-CG1 3.74Å; F121-I124 HydrophobicContact CD1-CD1 4.29Å; F121-I124 HydrophobicContact CD2-CD1 3.34Å; F121-I124 HydrophobicContact CD2-CG1 4.49Å; F121-I124 HydrophobicContact CE2-CD1 4.07Å; F121-I124 HydrophobicContact CG-CD1 3.44Å; F121-I124 VanDerWaalsContact CG-CD1 3.44Å; F121-I124 HydrophobicContact CG-CG1 4.3Å; Q122-I124 VanDerWaalsContact C-N 3.29Å; Q122-I124 PolarHBondContact O-N 3.24Å; I124-F126 HydrophobicContact CB-CE2 4.3Å; I124-F126 HydrophobicContact CB-CZ 4.5Å; I124-F126 HydrophobicContact CG2-CD2 4.48Å; I124-F126 HydrophobicContact CG2-CE1 4.35Å; I124-F126 HydrophobicContact CG2-CE2 4.28Å; I124-F126 HydrophobicContact CG2-CZ 4.23Å; I124-V145 HydrophobicContact CG2-CG1 4.03Å; I124-V145 HydrophobicContact CG2-CG2 4.05Å; I124-Y150 HydrophobicContact CG2-CE2 4.19Å; I124-I177 HydrophobicContact CD1-CD1 3.59Å; I124-I177 HydrophobicContact CD1-CG2 3.59Å; I124-I177 HydrophobicContact CG1-CD1 3.91Å; I124-I177 HydrophobicContact CG1-CG2 4.03Å; I124-I177 HydrophobicContact CG2-CD1 4.24Å; I124-L182 HydrophobicContact CD1-CD1 3.54Å; I124-L182 HydrophobicContact CG1-CD1 3.68Å
125	A	90.4	Very high	93.3	Very high	35 Å²	35	34.3 Å²	34.3	29%	0.289	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-80.2	117	167	0	0	0	0	0	110.2	L146 V149 Y150	A125-L146 HydrophobicContact CB-CB 4.04Å; A125-L146 HydrophobicContact CB-CD2 4.09Å; A125-L146 VanDerWaalsContact O-CB 3.29Å; A125-L146 WeakPolarHBondContact O-CB 3.28Å; A125-L146 PolarHBondContact O-N 3.29Å; A125-V149 HydrophobicContact CB-CG2 4.27Å; A125-Y150 HydrophobicContact CB-CE2 4.2Å
126	F	93	Very high	93.2	Very high	20 Å²	20	39 Å²	39	9%	0.088	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	159.7	171	-69	-76.6	0	0	0	111	N103 I120 F121 I124 W143 N144 V145 V156	N103-F126 WeakPolarHBondContact O-CB 3.33Å; I120-F126 HydrophobicContact CG2-CZ 4.23Å; F121-F126 HydrophobicContact CB-CE2 4.31Å; F121-F126 HydrophobicContact CB-CZ 4.11Å; F121-F126 AromaticContact CD2-CZ 3.9Å; F121-F126 HydrophobicContact CD2-CZ 3.9Å; F121-F126 HydrophobicContact CG-CZ 4.48Å; I124-F126 HydrophobicContact CB-CE2 4.3Å; I124-F126 HydrophobicContact CB-CZ 4.5Å; I124-F126 HydrophobicContact CG2-CD2 4.48Å; I124-F126 HydrophobicContact CG2-CE1 4.35Å; I124-F126 HydrophobicContact CG2-CE2 4.28Å; I124-F126 HydrophobicContact CG2-CZ 4.23Å; F126-W143 HydrophobicContact CD1-CB 3.51Å; F126-W143 HydrophobicContact CD1-CG 4.29Å; F126-W143 HydrophobicContact CE1-CB 3.76Å; F126-W143 HydrophobicContact CG-CB 4.19Å; F126-N144 CarbonylContact C-O 3.5Å; F126-N144 WeakPolarHBondContact CA-O 3.47Å; F126-V145 HydrophobicContact CD1-CG2 4.41Å; F126-V145 HydrophobicContact CE1-CG2 4.25Å; F126-V156 HydrophobicContact CE1-CG2 3.75Å; F126-V156 HydrophobicContact CZ-CG2 4.22Å
127	E	93.8	Very high	93	Very high	31 Å²	31	45.5 Å²	45.5	15%	0.145	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	151.6	169.7	-66.8	-172.3	171.6	0	0	110.8	K129 N144 L146	E127-K129 HydrophobicContact CB-CG 4.37Å; E127-K129 PolarHBondContact O-N 3.44Å; E127-K129 WeakPolarHBondContact OE2-CE 3.33Å; E127-K129 IonicContact OE2-NZ 3.41Å; E127-N144 HydrophobicContact CB-CB 4.46Å; E127-N144 HydrophobicContact CG-CB 4Å; E127-N144 PolarHBondContact N-O 2.95Å; E127-L146 HydrophobicContact CG-CD1 4.34Å
128	E	92.6	Very high	92.9	Very high	155 Å²	155	45.4 Å²	45.4	72%	0.724	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	-31.4	176.9	-66.8	-177.1	169.9	0	0	112.5	N103	N103-E128 WeakPolarHBondContact CB-O 3.4Å; N103-E128 PolarHBondContact ND2-O 3.14Å
129	K	92.9	Very high	92.9	Very high	80 Å²	80	45.3 Å²	45.3	35%	0.348	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	141.9	178.7	69.5	-174	175.9	-169.9	0	111.2	K76 Y77 E127	K76-K129 WeakPolarHBondContact O-CA 3.25Å; K76-K129 WeakPolarHBondContact O-CB 3.44Å; Y77-K129 HydrophobicContact CD1-CB 4.12Å; Y77-K129 HydrophobicContact CE1-CB 4.2Å; E127-K129 HydrophobicContact CB-CG 4.37Å; E127-K129 PolarHBondContact O-N 3.44Å; E127-K129 WeakPolarHBondContact OE2-CE 3.33Å; E127-K129 IonicContact OE2-NZ 3.41Å
130	F	94.7	Very high	92.9	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	156.2	172.8	61.8	-77.4	0	0	0	109.1	K76 Y78 E81 I101 N103 I132 I141 K142 W143	K76-F130 HydrophobicContact CB-CD1 4.49Å; K76-F130 HydrophobicContact CB-CE1 4.18Å; K76-F130 HydrophobicContact CB-CE2 4.42Å; K76-F130 HydrophobicContact CB-CZ 4.14Å; K76-F130 PolarHBondContact N-O 3.16Å; K76-F130 PolarHBondContact O-N 3.48Å; Y78-F130 WeakPolarHBondContact O-CE1 3.43Å; E81-F130 HydrophobicContact CB-CZ 4.16Å; I101-F130 HydrophobicContact CB-CE2 4.22Å; I101-F130 HydrophobicContact CG2-CD2 4.14Å; I101-F130 HydrophobicContact CG2-CE2 3.5Å; I101-F130 HydrophobicContact CG2-CZ 4.28Å; I101-F130 WeakPolarHBondContact O-CZ 3.48Å; N103-F130 HydrophobicContact CB-CD1 3.64Å; N103-F130 HydrophobicContact CB-CE1 3.8Å; F130-I132 HydrophobicContact CD2-CD1 4.04Å; F130-I132 HydrophobicContact CD2-CG1 3.78Å; F130-I132 HydrophobicContact CE2-CD1 3.36Å; F130-I132 HydrophobicContact CE2-CG1 3.66Å; F130-I132 HydrophobicContact CZ-CD1 4.21Å; F130-I141 HydrophobicContact CD2-CG2 3.93Å; F130-K142 WeakPolarHBondContact CA-O 3.42Å; F130-K142 WeakPolarHBondContact CB-O 3.15Å; F130-W143 HydrophobicContact CB-CG 4.17Å; F130-W143 AromaticContact CG-NE1 3.94Å
131	D	94.3	Very high	92.9	Very high	17 Å²	17	44 Å²	44	9%	0.091	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140.6	-177.8	-54.6	-48.5	0	0	0	110.6	L73 K75 I141 K142	L73-D131 HydrophobicContact CB-CB 3.9Å; L73-D131 HydrophobicContact CD1-CB 4.22Å; L73-D131 HydrophobicContact CD2-CB 3.98Å; L73-D131 HydrophobicContact CG-CB 4.26Å; K75-D131 WeakPolarHBondContact CG-OD1 3.4Å; D131-I141 CarbonylContact O-C 3.55Å; D131-I141 VanDerWaalsContact O-CA 3.31Å; D131-I141 WeakPolarHBondContact O-CA 3.37Å; D131-K142 HydrophobicContact CB-CB 4.23Å; D131-K142 PolarHBondContact N-O 3.14Å; D131-K142 PolarHBondContact O-N 3.12Å
132	I	94.9	Very high	93.1	Very high	7 Å²	7	46 Å²	46	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.4	174.8	-52.7	174.9	0	0	0	110.4	I74 K76 E81 V83 I101 F130 I139 A140 I141	I74-I132 PolarHBondContact N-O 3.03Å; I74-I132 PolarHBondContact O-N 3.05Å; K76-I132 HydrophobicContact CG-CD1 3.94Å; K76-I132 HydrophobicContact CG-CG1 4.21Å; E81-I132 HydrophobicContact CB-CD1 3.74Å; E81-I132 HydrophobicContact CG-CD1 3.73Å; V83-I132 HydrophobicContact CG2-CD1 4.32Å; V83-I132 HydrophobicContact CG2-CG2 4.41Å; I101-I132 HydrophobicContact CB-CD1 4.46Å; I101-I132 HydrophobicContact CD1-CD1 3.98Å; I101-I132 HydrophobicContact CG2-CD1 4.4Å; F130-I132 HydrophobicContact CD2-CD1 4.04Å; F130-I132 HydrophobicContact CD2-CG1 3.78Å; F130-I132 HydrophobicContact CE2-CD1 3.36Å; F130-I132 HydrophobicContact CE2-CG1 3.66Å; F130-I132 HydrophobicContact CZ-CD1 4.21Å; I132-I139 HydrophobicContact CG2-CG2 4.48Å; I132-A140 CarbonylContact C-O 3.6Å; I132-A140 WeakPolarHBondContact CA-O 3.41Å; I132-I141 HydrophobicContact CG1-CG2 4.27Å
133	A	94.4	Very high	93.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.3	162.1	0	0	0	0	0	109.5	L73 Q135 F138 I139 A140	L73-A133 HydrophobicContact CD2-CB 3.9Å; A133-Q135 HydrophobicContact CB-CG 4.42Å; A133-F138 HydrophobicContact CB-CE2 4.49Å; A133-I139 CarbonylContact O-C 3.57Å; A133-I139 VanDerWaalsContact O-CA 3.23Å; A133-I139 WeakPolarHBondContact O-CA 3.39Å; A133-A140 HydrophobicContact CB-CB 4.45Å; A133-A140 PolarHBondContact N-O 2.99Å; A133-A140 PolarHBondContact O-N 3.41Å
134	N	94.8	Very high	94.1	Very high	35 Å²	35	38.6 Å²	38.6	19%	0.187	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	97.4	172.9	179.8	17.3	0	0	0	108.7	V83 T84 K86	V83-N134 HydrophobicContact CG1-CB 4Å; T84-N134 PolarHBondContact O-ND2 3.3Å; K86-N134 WeakPolarHBondContact CD-O 3.29Å; K86-N134 VanDerWaalsContact CE-O 3.27Å; K86-N134 WeakPolarHBondContact CE-O 3.14Å; K86-N134 PolarHBondContact NZ-O 3.24Å
135	Q	94.5	Very high	94.4	Very high	61 Å²	61	38 Å²	38	29%	0.285	19%	0.188	S	C	.	.			trans	-107	173.4	-176.5	-55.5	-57.3	-23.6	0	0	110.8	A133 E137 F138	A133-Q135 HydrophobicContact CB-CG 4.42Å; Q135-E137 VanDerWaalsContact C-N 3.26Å; Q135-E137 PolarHBondContact O-N 3.23Å; Q135-F138 CarbonylContact C-O 3.59Å; Q135-F138 WeakPolarHBondContact CA-O 3.28Å; Q135-F138 HydrophobicContact CB-CD1 4.26Å; Q135-F138 HydrophobicContact CB-CE1 4.07Å; Q135-F138 HydrophobicContact CB-CE2 4.33Å; Q135-F138 HydrophobicContact CB-CG 4.49Å; Q135-F138 HydrophobicContact CB-CZ 4.11Å; Q135-F138 WeakPolarHBondContact CB-O 3.3Å; Q135-F138 HydrophobicContact CG-CD2 4.46Å; Q135-F138 HydrophobicContact CG-CE1 4.07Å; Q135-F138 HydrophobicContact CG-CE2 3.84Å; Q135-F138 HydrophobicContact CG-CZ 3.63Å; Q135-F138 PolarHBondContact N-O 3.14Å
136	N	94.7	Very high	94.5	Very high	112 Å²	112	39 Å²	39	60%	0.599	19%	0.188	S	C	*	.	S	Bend	trans	-68.3	-25.8	-178	-66	-15.9	0	0	0	113.2	F87	F87-N136 VanDerWaalsContact CD1-O 3.24Å; F87-N136 WeakPolarHBondContact CD1-O 3.4Å
137	E	93.9	Very high	94.5	Very high	137 Å²	137	44.3 Å²	44.3	64%	0.64	21%	0.211	S	C	*	.	S	Bend	trans	-113.3	-12.3	-175.2	-62.2	-174.6	151.1	0	0	113.6	Q135 L162	Q135-E137 VanDerWaalsContact C-N 3.26Å; Q135-E137 PolarHBondContact O-N 3.23Å; E137-L162 WeakPolarHBondContact O-CB 3.49Å; E137-L162 PolarHBondContact O-N 2.99Å
138	F	95.8	Very high	94.4	Very high	26 Å²	26	47.7 Å²	47.7	11%	0.114	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	160.1	179.5	67.1	-92.4	0	0	0	112.9	V69 N70 A133 Q135 A140 M159 I160	V69-F138 HydrophobicContact CG1-CE2 4.2Å; N70-F138 WeakPolarHBondContact O-CZ 3.22Å; A133-F138 HydrophobicContact CB-CE2 4.49Å; Q135-F138 CarbonylContact C-O 3.59Å; Q135-F138 WeakPolarHBondContact CA-O 3.28Å; Q135-F138 HydrophobicContact CB-CD1 4.26Å; Q135-F138 HydrophobicContact CB-CE1 4.07Å; Q135-F138 HydrophobicContact CB-CE2 4.33Å; Q135-F138 HydrophobicContact CB-CG 4.49Å; Q135-F138 HydrophobicContact CB-CZ 4.11Å; Q135-F138 WeakPolarHBondContact CB-O 3.3Å; Q135-F138 HydrophobicContact CG-CD2 4.46Å; Q135-F138 HydrophobicContact CG-CE1 4.07Å; Q135-F138 HydrophobicContact CG-CE2 3.84Å; Q135-F138 HydrophobicContact CG-CZ 3.63Å; Q135-F138 PolarHBondContact N-O 3.14Å; F138-A140 HydrophobicContact CD2-CB 4.02Å; F138-A140 HydrophobicContact CE2-CB 3.98Å; F138-M159 HydrophobicContact CB-CE 4.44Å; F138-M159 HydrophobicContact CD2-CE 3.86Å; F138-M159 HydrophobicContact CE2-CE 4.28Å; F138-M159 HydrophobicContact CG-CE 4.09Å; F138-I160 CarbonylContact C-O 3.52Å; F138-I160 WeakPolarHBondContact CA-O 3.17Å; F138-I160 WeakPolarHBondContact CB-O 3.04Å
139	I	96.7	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.4	162.3	-57.5	171.6	0	0	0	107	V83 P85 F87 L99 I132 A133 I141 M159 I160	V83-I139 HydrophobicContact CG1-CD1 4.19Å; P85-I139 HydrophobicContact CB-CD1 3.97Å; P85-I139 HydrophobicContact CG-CD1 3.97Å; F87-I139 HydrophobicContact CE1-CG1 4.05Å; F87-I139 HydrophobicContact CZ-CD1 4.36Å; F87-I139 HydrophobicContact CZ-CG1 4.07Å; L99-I139 HydrophobicContact CD1-CD1 3.64Å; I132-I139 HydrophobicContact CG2-CG2 4.48Å; A133-I139 CarbonylContact O-C 3.57Å; A133-I139 VanDerWaalsContact O-CA 3.23Å; A133-I139 WeakPolarHBondContact O-CA 3.39Å; I139-I141 HydrophobicContact CG2-CD1 3.8Å; I139-I141 HydrophobicContact CG2-CG1 4.44Å; I139-M159 CarbonylContact O-C 3.57Å; I139-M159 VanDerWaalsContact O-CA 3.26Å; I139-M159 WeakPolarHBondContact O-CA 3.34Å; I139-I160 HydrophobicContact CB-CB 4.43Å; I139-I160 PolarHBondContact N-O 3.33Å; I139-I160 PolarHBondContact O-N 2.74Å
140	A	96.8	Very high	94.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.1	174.2	0	0	0	0	0	109.6	V69 I132 A133 F138 Y158 M159	V69-A140 HydrophobicContact CG1-CB 3.85Å; V69-A140 HydrophobicContact CG2-CB 4.14Å; I132-A140 CarbonylContact C-O 3.6Å; I132-A140 WeakPolarHBondContact CA-O 3.41Å; A133-A140 HydrophobicContact CB-CB 4.45Å; A133-A140 PolarHBondContact N-O 2.99Å; A133-A140 PolarHBondContact O-N 3.41Å; F138-A140 HydrophobicContact CD2-CB 4.02Å; F138-A140 HydrophobicContact CE2-CB 3.98Å; A140-Y158 CarbonylContact C-O 3.54Å; A140-Y158 WeakPolarHBondContact CA-O 3.4Å; A140-M159 HydrophobicContact CB-CG 4.03Å
141	I	96.4	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.4	175.8	-49.8	87.4	0	0	0	108.2	I101 I107 F130 D131 I132 I139 W143 T157 Y158	I101-I141 HydrophobicContact CD1-CD1 4.29Å; I101-I141 HydrophobicContact CD1-CG1 3.84Å; I101-I141 HydrophobicContact CG1-CG1 4.5Å; I101-I141 HydrophobicContact CG2-CG1 4.16Å; I101-I141 HydrophobicContact CG2-CG2 3.86Å; I107-I141 HydrophobicContact CD1-CD1 4.1Å; F130-I141 HydrophobicContact CD2-CG2 3.93Å; D131-I141 CarbonylContact O-C 3.55Å; D131-I141 VanDerWaalsContact O-CA 3.31Å; D131-I141 WeakPolarHBondContact O-CA 3.37Å; I132-I141 HydrophobicContact CG1-CG2 4.27Å; I139-I141 HydrophobicContact CG2-CD1 3.8Å; I139-I141 HydrophobicContact CG2-CG1 4.44Å; I141-W143 HydrophobicContact CB-CE3 4.26Å; I141-W143 HydrophobicContact CB-CH2 3.62Å; I141-W143 HydrophobicContact CB-CZ2 4.21Å; I141-W143 HydrophobicContact CB-CZ3 3.63Å; I141-W143 HydrophobicContact CG1-CH2 4.28Å; I141-W143 HydrophobicContact CG2-CD2 3.87Å; I141-W143 HydrophobicContact CG2-CE3 3.77Å; I141-W143 HydrophobicContact CG2-CH2 3.3Å; I141-W143 HydrophobicContact CG2-CZ2 3.37Å; I141-W143 HydrophobicContact CG2-CZ3 3.49Å; I141-W143 VanDerWaalsContact CG2-CZ3 3.49Å; I141-T157 CarbonylContact O-C 3.49Å; I141-T157 WeakPolarHBondContact O-CA 3.15Å; I141-Y158 PolarHBondContact N-O 2.67Å; I141-Y158 PolarHBondContact O-N 2.78Å
142	K	95.6	Very high	93.5	Very high	46 Å²	46	49.9 Å²	49.9	20%	0.2	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.5	179.4	175.1	172.4	163	146.7	0	110.4	L73 F130 D131 E155 V156	L73-K142 HydrophobicContact CD1-CD 4.16Å; F130-K142 WeakPolarHBondContact CA-O 3.42Å; F130-K142 WeakPolarHBondContact CB-O 3.15Å; D131-K142 HydrophobicContact CB-CB 4.23Å; D131-K142 PolarHBondContact N-O 3.14Å; D131-K142 PolarHBondContact O-N 3.12Å; K142-E155 HydrophobicContact CD-CG 4.34Å; K142-E155 WeakPolarHBondContact CE-OE1 3.28Å; K142-E155 WeakPolarHBondContact CE-OE2 3.35Å; K142-E155 HydrophobicContact CG-CG 4.11Å; K142-E155 IonicContact NZ-OE1 3.84Å; K142-E155 PolarHBondContact NZ-OE1 2.62Å; K142-E155 IonicContact NZ-OE2 2.88Å; K142-E155 PolarHBondContact NZ-OE2 2.9Å; K142-V156 WeakPolarHBondContact CA-O 3.1Å
143	W	95.3	Very high	93.3	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.9	175.1	-62.8	-95.8	0	0	0	110.4	I101 S102 I107 I120 F126 F130 I141 E155 V156	I101-W143 HydrophobicContact CG2-CH2 4.32Å; I101-W143 HydrophobicContact CG2-CZ2 3.66Å; S102-W143 PolarHBondContact O-NE1 2.8Å; I107-W143 HydrophobicContact CD1-CH2 3.99Å; I107-W143 HydrophobicContact CG1-CH2 3.95Å; I107-W143 HydrophobicContact CG1-CZ2 4.36Å; I120-W143 HydrophobicContact CD1-CH2 4.3Å; I120-W143 HydrophobicContact CD1-CZ3 4.01Å; I120-W143 HydrophobicContact CG1-CE3 4.24Å; I120-W143 HydrophobicContact CG1-CH2 3.92Å; I120-W143 HydrophobicContact CG1-CZ3 3.75Å; F126-W143 HydrophobicContact CD1-CB 3.51Å; F126-W143 HydrophobicContact CD1-CG 4.29Å; F126-W143 HydrophobicContact CE1-CB 3.76Å; F126-W143 HydrophobicContact CG-CB 4.19Å; F130-W143 HydrophobicContact CB-CG 4.17Å; F130-W143 AromaticContact CG-NE1 3.94Å; I141-W143 HydrophobicContact CB-CE3 4.26Å; I141-W143 HydrophobicContact CB-CH2 3.62Å; I141-W143 HydrophobicContact CB-CZ2 4.21Å; I141-W143 HydrophobicContact CB-CZ3 3.63Å; I141-W143 HydrophobicContact CG1-CH2 4.28Å; I141-W143 HydrophobicContact CG2-CD2 3.87Å; I141-W143 HydrophobicContact CG2-CE3 3.77Å; I141-W143 HydrophobicContact CG2-CH2 3.3Å; I141-W143 HydrophobicContact CG2-CZ2 3.37Å; I141-W143 HydrophobicContact CG2-CZ3 3.49Å; I141-W143 VanDerWaalsContact CG2-CZ3 3.49Å; W143-E155 WeakPolarHBondContact O-CA 3.47Å; W143-V156 HydrophobicContact CB-CG2 3.87Å; W143-V156 HydrophobicContact CE3-CG2 4.14Å; W143-V156 PolarHBondContact N-O 2.9Å; W143-V156 PolarHBondContact O-N 3.3Å
144	N	94.6	Very high	93.2	Very high	34 Å²	34	49.9 Å²	49.9	18%	0.182	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.9	171.1	-61.6	-74	0	0	0	108.7	F126 E127 G154	F126-N144 CarbonylContact C-O 3.5Å; F126-N144 WeakPolarHBondContact CA-O 3.47Å; E127-N144 HydrophobicContact CB-CB 4.46Å; E127-N144 HydrophobicContact CG-CB 4Å; E127-N144 PolarHBondContact N-O 2.95Å; N144-G154 CarbonylContact C-O 3.51Å; N144-G154 WeakPolarHBondContact CA-O 3.25Å
145	V	93.1	Very high	93.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	138.2	173.5	176.9	0	0	0	0	109	I124 F126 K147 Y150 G154 P174 I177	I124-V145 HydrophobicContact CG2-CG1 4.03Å; I124-V145 HydrophobicContact CG2-CG2 4.05Å; F126-V145 HydrophobicContact CD1-CG2 4.41Å; F126-V145 HydrophobicContact CE1-CG2 4.25Å; V145-K147 PolarHBondContact O-N 3.01Å; V145-K147 VanDerWaalsContact O-N 3.07Å; V145-Y150 HydrophobicContact CG1-CD2 3.16Å; V145-Y150 HydrophobicContact CG1-CE2 3.91Å; V145-Y150 HydrophobicContact CG1-CG 3.68Å; V145-G154 PolarHBondContact N-O 3.05Å; V145-P174 HydrophobicContact CG1-CG 4.13Å; V145-I177 HydrophobicContact CG1-CD1 4.41Å
146	L	92.5	Very high	93.2	Very high	55 Å²	55	47.3 Å²	47.3	29%	0.288	25%	0.251	S	S	.	.			trans	-65.3	107.6	-176	-178.2	60.7	0	0	0	111.2	A125 E127 S148 V149 Y150	A125-L146 HydrophobicContact CB-CB 4.04Å; A125-L146 HydrophobicContact CB-CD2 4.09Å; A125-L146 VanDerWaalsContact O-CB 3.29Å; A125-L146 WeakPolarHBondContact O-CB 3.28Å; A125-L146 PolarHBondContact O-N 3.29Å; E127-L146 HydrophobicContact CG-CD1 4.34Å; L146-S148 VanDerWaalsContact C-N 3.26Å; L146-S148 VanDerWaalsContact CG-OG 3.31Å; L146-S148 WeakPolarHBondContact CG-OG 3.41Å; L146-S148 PolarHBondContact O-N 3.25Å; L146-V149 HydrophobicContact CD2-CG2 3.78Å; L146-V149 HydrophobicContact CG-CG2 4.21Å; L146-V149 PolarHBondContact O-N 2.87Å; L146-Y150 PolarHBondContact O-N 2.89Å
147	K	91.6	Very high	93.2	Very high	132 Å²	132	42.5 Å²	42.5	57%	0.574	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.6	-174.4	-68.2	-174.8	178.8	-176.5	0	115.3	V145 V149 Y150 P151	V145-K147 PolarHBondContact O-N 3.01Å; V145-K147 VanDerWaalsContact O-N 3.07Å; K147-V149 PolarHBondContact O-N 2.99Å; K147-Y150 WeakPolarHBondContact CA-O 3.38Å; K147-Y150 CarbonylContact O-C 3.41Å; K147-P151 WeakPolarHBondContact O-CA 3.36Å
148	S	92.1	Very high	93.4	Very high	103 Å²	103	36 Å²	36	72%	0.72	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-23.1	175.4	56.1	0	0	0	0	112.8	L146	L146-S148 VanDerWaalsContact C-N 3.26Å; L146-S148 VanDerWaalsContact CG-OG 3.31Å; L146-S148 WeakPolarHBondContact CG-OG 3.41Å; L146-S148 PolarHBondContact O-N 3.25Å
149	V	89.1	Confident	93.5	Very high	77 Å²	77	35 Å²	35	47%	0.467	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-39.2	174.8	-178.4	0	0	0	0	110.6	A125 L146 K147	A125-V149 HydrophobicContact CB-CG2 4.27Å; L146-V149 HydrophobicContact CD2-CG2 3.78Å; L146-V149 HydrophobicContact CG-CG2 4.21Å; L146-V149 PolarHBondContact O-N 2.87Å; K147-V149 PolarHBondContact O-N 2.99Å
150	Y	89.6	Confident	93.5	Very high	21 Å²	21	35.1 Å²	35.1	8%	0.082	19%	0.191	C	C	.	.			trans	-125	90.7	-178.3	-51.6	-80.9	0	0	0	110.5	I124 A125 V145 L146 K147 E152 G153 P174 E176 I177	I124-Y150 HydrophobicContact CG2-CE2 4.19Å; A125-Y150 HydrophobicContact CB-CE2 4.2Å; V145-Y150 HydrophobicContact CG1-CD2 3.16Å; V145-Y150 HydrophobicContact CG1-CE2 3.91Å; V145-Y150 HydrophobicContact CG1-CG 3.68Å; L146-Y150 PolarHBondContact O-N 2.89Å; K147-Y150 WeakPolarHBondContact CA-O 3.38Å; K147-Y150 CarbonylContact O-C 3.41Å; Y150-E152 VanDerWaalsContact C-N 3.3Å; Y150-E152 PolarHBondContact O-N 3.18Å; Y150-G153 WeakPolarHBondContact O-CA 3.36Å; Y150-G153 PolarHBondContact O-N 3.1Å; Y150-P174 HydrophobicContact CD1-CB 4.32Å; Y150-P174 HydrophobicContact CD1-CG 4.44Å; Y150-P174 HydrophobicContact CG-CB 4.49Å; Y150-P174 HydrophobicContact CG-CG 4.2Å; Y150-E176 HydrophobicContact CD1-CB 4.48Å; Y150-I177 HydrophobicContact CD1-CD1 3.65Å; Y150-I177 HydrophobicContact CD1-CG1 3.63Å; Y150-I177 HydrophobicContact CD2-CD1 4.26Å; Y150-I177 HydrophobicContact CE1-CD1 3.52Å; Y150-I177 HydrophobicContact CE1-CG1 3.33Å; Y150-I177 HydrophobicContact CE2-CD1 4.11Å; Y150-I177 HydrophobicContact CG-CD1 4Å; Y150-I177 HydrophobicContact CG-CG1 4.46Å
151	P	88.9	Confident	93.5	Very high	102 Å²	102	37.5 Å²	37.5	66%	0.662	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-31.6	-171.8	-28	36.4	0	0	0	115.4	K147 G153	K147-P151 WeakPolarHBondContact O-CA 3.36Å; P151-G153 PolarHBondContact O-N 3.07Å; P151-G153 VanDerWaalsContact O-N 3.16Å
152	E	88.8	Confident	93.5	Very high	97 Å²	97	41.4 Å²	41.4	45%	0.453	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.1	173.6	-66.4	-166.1	158.3	0	0	112.1	Y150 K175	Y150-E152 VanDerWaalsContact C-N 3.3Å; Y150-E152 PolarHBondContact O-N 3.18Å; E152-K175 IonicContact OE1-NZ 3.01Å; E152-K175 PolarHBondContact OE2-N 2.88Å
153	G	90.3	Very high	93.5	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.021	24%	0.24	C	C	.	.			trans	63.8	179.8	-172.7	0	0	0	0	0	111.9	Y150 P151 N172 P174	Y150-G153 WeakPolarHBondContact O-CA 3.36Å; Y150-G153 PolarHBondContact O-N 3.1Å; P151-G153 PolarHBondContact O-N 3.07Å; P151-G153 VanDerWaalsContact O-N 3.16Å; G153-N172 PolarHBondContact O-ND2 2.67Å; G153-N172 VanDerWaalsContact O-ND2 3.13Å; G153-P174 WeakPolarHBondContact O-CD 3.18Å; G153-P174 VanDerWaalsContact O-CG 3.28Å; G153-P174 WeakPolarHBondContact O-CG 3.46Å
154	G	91.7	Very high	93.5	Very high	6 Å²	6	44.4 Å²	44.4	6%	0.062	24%	0.242	C	C	.	.			trans	-170.4	151.9	-176.4	0	0	0	0	0	108.6	N144 V145 N172	N144-G154 CarbonylContact C-O 3.51Å; N144-G154 WeakPolarHBondContact CA-O 3.25Å; V145-G154 PolarHBondContact N-O 3.05Å; G154-N172 WeakPolarHBondContact CA-O 3.19Å; G154-N172 WeakPolarHBondContact CA-OD1 3.28Å
155	E	94	Very high	93.6	Very high	43 Å²	43	45 Å²	45	20%	0.201	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	134.6	179.1	179.7	-170.2	109	0	0	109.5	K142 W143 S171 N172	K142-E155 HydrophobicContact CD-CG 4.34Å; K142-E155 WeakPolarHBondContact CE-OE1 3.28Å; K142-E155 WeakPolarHBondContact CE-OE2 3.35Å; K142-E155 HydrophobicContact CG-CG 4.11Å; K142-E155 IonicContact NZ-OE1 3.84Å; K142-E155 PolarHBondContact NZ-OE1 2.62Å; K142-E155 IonicContact NZ-OE2 2.88Å; K142-E155 PolarHBondContact NZ-OE2 2.9Å; W143-E155 WeakPolarHBondContact O-CA 3.47Å; E155-S171 WeakPolarHBondContact O-CB 3.46Å; E155-S171 PolarHBondContact O-N 2.73Å; E155-S171 PolarHBondContact OE1-OG 3.11Å; E155-S171 VanDerWaalsContact OE1-OG 3.04Å; E155-N172 PolarHBondContact N-O 2.63Å; E155-N172 PolarHBondContact N-OD1 2.78Å; E155-N172 VanDerWaalsContact N-OD1 3.1Å
156	V	95.1	Very high	93.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.4	176.6	-63.9	0	0	0	0	110	I120 F121 F126 K142 W143 L168 Y169 F170 I173	I120-V156 HydrophobicContact CG2-CB 4.24Å; I120-V156 HydrophobicContact CG2-CG2 3.77Å; F121-V156 HydrophobicContact CD2-CG1 4.18Å; F121-V156 HydrophobicContact CE2-CG1 3.45Å; F121-V156 VanDerWaalsContact CE2-CG1 3.45Å; F121-V156 HydrophobicContact CZ-CG1 4.22Å; F126-V156 HydrophobicContact CE1-CG2 3.75Å; F126-V156 HydrophobicContact CZ-CG2 4.22Å; K142-V156 WeakPolarHBondContact CA-O 3.1Å; W143-V156 HydrophobicContact CB-CG2 3.87Å; W143-V156 HydrophobicContact CE3-CG2 4.14Å; W143-V156 PolarHBondContact N-O 2.9Å; W143-V156 PolarHBondContact O-N 3.3Å; V156-L168 HydrophobicContact CB-CD1 4.26Å; V156-Y169 WeakPolarHBondContact CA-O 3.45Å; V156-F170 HydrophobicContact CG1-CD1 3.76Å; V156-F170 HydrophobicContact CG1-CE1 4.41Å; V156-I173 HydrophobicContact CG1-CD1 4.26Å
157	T	96.3	Very high	94.1	Very high	10 Å²	10	42.9 Å²	42.9	6%	0.061	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.7	175.8	-58.8	0	0	0	0	108.9	P67 V69 I141 M159 L168 Y169	P67-T157 HydrophobicContact CG-CG2 4.26Å; V69-T157 HydrophobicContact CG2-CG2 4.31Å; I141-T157 CarbonylContact O-C 3.49Å; I141-T157 WeakPolarHBondContact O-CA 3.15Å; T157-M159 HydrophobicContact CG2-CG 4.19Å; T157-L168 WeakPolarHBondContact O-CA 3.32Å; T157-Y169 PolarHBondContact N-O 2.88Å; T157-Y169 PolarHBondContact O-N 2.88Å
158	Y	97.5	Very high	94.4	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.5	172.5	-161.9	-89.1	0	0	0	109.7	I107 I118 I120 A140 I141 I160 M166 S167 L168	I107-Y158 HydrophobicContact CD1-CD1 3.81Å; I107-Y158 HydrophobicContact CD1-CE1 4.12Å; I107-Y158 HydrophobicContact CD1-CG 4.34Å; I118-Y158 HydrophobicContact CD1-CE1 3.75Å; I118-Y158 WeakPolarHBondContact CD1-OH 3.06Å; I118-Y158 HydrophobicContact CG2-CD2 4.36Å; I118-Y158 HydrophobicContact CG2-CE1 4.49Å; I118-Y158 HydrophobicContact CG2-CE2 3.72Å; I120-Y158 HydrophobicContact CD1-CD2 3.3Å; I120-Y158 HydrophobicContact CD1-CE2 3.95Å; I120-Y158 HydrophobicContact CD1-CG 3.85Å; A140-Y158 CarbonylContact C-O 3.54Å; A140-Y158 WeakPolarHBondContact CA-O 3.4Å; I141-Y158 PolarHBondContact N-O 2.67Å; I141-Y158 PolarHBondContact O-N 2.78Å; Y158-I160 HydrophobicContact CD1-CG1 4Å; Y158-I160 HydrophobicContact CE1-CD1 4.2Å; Y158-I160 HydrophobicContact CE1-CG1 3.67Å; Y158-M166 HydrophobicContact CE1-CB 4.12Å; Y158-M166 HydrophobicContact CE1-CG 4.35Å; Y158-M166 HydrophobicContact CE1-SD 4.37Å; Y158-M166 WeakPolarHBondContact OH-CB 3.39Å; Y158-M166 PolarHBondContact OH-SD 2.86Å; Y158-S167 CarbonylContact C-O 3.56Å; Y158-S167 VanDerWaalsContact CA-O 3.31Å; Y158-S167 WeakPolarHBondContact CA-O 3.42Å; Y158-L168 HydrophobicContact CD2-CB 3.79Å; Y158-L168 HydrophobicContact CD2-CD1 4.09Å; Y158-L168 HydrophobicContact CD2-CD2 4.4Å; Y158-L168 HydrophobicContact CD2-CG 4.3Å; Y158-L168 HydrophobicContact CE2-CB 4.09Å
159	M	97.1	Very high	94.7	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139	178.2	-64.3	-176.4	71.6	0	0	110.6	P67 V69 F138 I139 A140 T157 M166 S167	P67-M159 HydrophobicContact CB-SD 3.52Å; P67-M159 VanDerWaalsContact CB-SD 3.52Å; P67-M159 HydrophobicContact CG-SD 3.66Å; V69-M159 HydrophobicContact CG2-CE 4.44Å; V69-M159 HydrophobicContact CG2-SD 4.15Å; F138-M159 HydrophobicContact CB-CE 4.44Å; F138-M159 HydrophobicContact CD2-CE 3.86Å; F138-M159 HydrophobicContact CE2-CE 4.28Å; F138-M159 HydrophobicContact CG-CE 4.09Å; I139-M159 CarbonylContact O-C 3.57Å; I139-M159 VanDerWaalsContact O-CA 3.26Å; I139-M159 WeakPolarHBondContact O-CA 3.34Å; A140-M159 HydrophobicContact CB-CG 4.03Å; T157-M159 HydrophobicContact CG2-CG 4.19Å; M159-M166 CarbonylContact O-C 3.55Å; M159-M166 WeakPolarHBondContact O-CA 3.45Å; M159-S167 PolarHBondContact N-O 3.26Å; M159-S167 PolarHBondContact O-N 3.15Å
160	I	97.8	Very high	94.9	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.015	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.2	172	-57	170.5	0	0	0	106.6	L89 L99 F138 I139 Y158 M166	L89-I160 HydrophobicContact CD1-CG2 3.54Å; L89-I160 HydrophobicContact CD2-CG2 3.81Å; L89-I160 HydrophobicContact CG-CG2 4.35Å; L99-I160 HydrophobicContact CD1-CD1 3.67Å; F138-I160 CarbonylContact C-O 3.52Å; F138-I160 WeakPolarHBondContact CA-O 3.17Å; F138-I160 WeakPolarHBondContact CB-O 3.04Å; I139-I160 HydrophobicContact CB-CB 4.43Å; I139-I160 PolarHBondContact N-O 3.33Å; I139-I160 PolarHBondContact O-N 2.74Å; Y158-I160 HydrophobicContact CD1-CG1 4Å; Y158-I160 HydrophobicContact CE1-CD1 4.2Å; Y158-I160 HydrophobicContact CE1-CG1 3.67Å; I160-M166 HydrophobicContact CG1-CG 4.24Å; I160-M166 HydrophobicContact CG2-CG 4.43Å
161	H	96.9	Very high	95.1	Very high	50 Å²	50	28.7 Å²	28.7	23%	0.231	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	158.3	-177.4	-61.5	-88.7	0	0	0	111.4	N163 G164 K165 S167	H161-N163 WeakPolarHBondContact CB-OD1 3.05Å; H161-N163 PolarHBondContact O-N 2.88Å; H161-N163 VanDerWaalsContact O-N 3.12Å; H161-G164 PolarHBondContact O-N 3.49Å; H161-K165 HydrophobicContact CB-CB 4.38Å; H161-K165 PolarHBondContact CD2-O 3.24Å; H161-K165 PolarHBondContact N-O 2.79Å; H161-S167 PolarHBondContact NE2-OG 2.89Å
162	L	96	Very high	95.1	Very high	81 Å²	81	26.8 Å²	26.8	42%	0.424	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-35.9	177.6	173.7	65.1	0	0	0	114	F87 E137 G164	F87-L162 HydrophobicContact CB-CD1 3.26Å; F87-L162 HydrophobicContact CD2-CB 4.38Å; F87-L162 HydrophobicContact CD2-CD1 3.77Å; F87-L162 HydrophobicContact CG-CD1 3.65Å; E137-L162 WeakPolarHBondContact O-CB 3.49Å; E137-L162 PolarHBondContact O-N 2.99Å; L162-G164 PolarHBondContact O-N 3.14Å
163	N	94.6	Very high	94.9	Very high	107 Å²	107	22.9 Å²	22.9	57%	0.572	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	5.1	179.7	66.9	-6.3	0	0	0	113.8	H161 K165	H161-N163 WeakPolarHBondContact CB-OD1 3.05Å; H161-N163 PolarHBondContact O-N 2.88Å; H161-N163 VanDerWaalsContact O-N 3.12Å; N163-K165 VanDerWaalsContact C-N 3.27Å; N163-K165 PolarHBondContact O-N 3.02Å; N163-K165 WeakPolarHBondContact OD1-CB 3.29Å; N163-K165 PolarHBondContact OD1-N 2.83Å
164	G	96.1	Very high	94.3	Very high	4 Å²	4	22.9 Å²	22.9	4%	0.041	12%	0.121	C	C	.	.	S	Bend	trans	81.2	-0.9	-177.3	0	0	0	0	0	114.6	H161 L162 P224	H161-G164 PolarHBondContact O-N 3.49Å; L162-G164 PolarHBondContact O-N 3.14Å; G164-P224 WeakPolarHBondContact O-CG 3.46Å
165	K	97.6	Very high	93.5	Very high	45 Å²	45	29.9 Å²	29.9	20%	0.196	15%	0.15	C	C	.	.			trans	-64.4	137.7	169.8	-177.7	175.7	175.7	173.8	0	109.5	H161 N163 E221 F222	H161-K165 HydrophobicContact CB-CB 4.38Å; H161-K165 PolarHBondContact CD2-O 3.24Å; H161-K165 PolarHBondContact N-O 2.79Å; N163-K165 VanDerWaalsContact C-N 3.27Å; N163-K165 PolarHBondContact O-N 3.02Å; N163-K165 WeakPolarHBondContact OD1-CB 3.29Å; N163-K165 PolarHBondContact OD1-N 2.83Å; K165-E221 VanDerWaalsContact CE-CD 3.49Å; K165-E221 WeakPolarHBondContact CE-OE1 3.39Å; K165-E221 IonicContact NZ-OE1 2.62Å; K165-E221 PolarHBondContact NZ-OE1 2.83Å; K165-E221 IonicContact NZ-OE2 2.72Å; K165-F222 CarbonylContact C-O 3.52Å; K165-F222 WeakPolarHBondContact CA-O 3.39Å
166	M	98.2	Very high	92.3	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.02	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.9	175.1	-58.7	174.4	-67.2	0	0	109.9	Y56 Y91 I118 Y158 M159 I160 I186 E221 F222	Y56-M166 HydrophobicContact CD1-CE 4.28Å; Y56-M166 HydrophobicContact CE1-CE 3.6Å; Y56-M166 HydrophobicContact CE2-CE 4.47Å; Y91-M166 HydrophobicContact CD2-CE 4.08Å; Y91-M166 HydrophobicContact CD2-SD 3.98Å; Y91-M166 HydrophobicContact CE2-CE 3.88Å; Y91-M166 HydrophobicContact CE2-SD 3.99Å; I118-M166 HydrophobicContact CD1-SD 4.13Å; Y158-M166 HydrophobicContact CE1-CB 4.12Å; Y158-M166 HydrophobicContact CE1-CG 4.35Å; Y158-M166 HydrophobicContact CE1-SD 4.37Å; Y158-M166 WeakPolarHBondContact OH-CB 3.39Å; Y158-M166 PolarHBondContact OH-SD 2.86Å; M159-M166 CarbonylContact O-C 3.55Å; M159-M166 WeakPolarHBondContact O-CA 3.45Å; I160-M166 HydrophobicContact CG1-CG 4.24Å; I160-M166 HydrophobicContact CG2-CG 4.43Å; M166-I186 HydrophobicContact CE-CD1 3.58Å; M166-E221 CarbonylContact O-C 3.59Å; M166-E221 VanDerWaalsContact O-CA 3.28Å; M166-E221 WeakPolarHBondContact O-CA 3.24Å; M166-F222 HydrophobicContact CB-CB 4.37Å; M166-F222 HydrophobicContact CB-CD2 4.38Å; M166-F222 HydrophobicContact CE-CB 3.89Å; M166-F222 HydrophobicContact CE-CG 4.46Å; M166-F222 PolarHBondContact N-O 3.18Å; M166-F222 PolarHBondContact O-N 2.88Å
167	S	97.6	Very high	91	Very high	7 Å²	7	32.6 Å²	32.6	5%	0.049	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.5	-177	-50.6	0	0	0	0	109.5	Y158 M159 H161 V220	Y158-S167 CarbonylContact C-O 3.56Å; Y158-S167 VanDerWaalsContact CA-O 3.31Å; Y158-S167 WeakPolarHBondContact CA-O 3.42Å; M159-S167 PolarHBondContact N-O 3.26Å; M159-S167 PolarHBondContact O-N 3.15Å; H161-S167 PolarHBondContact NE2-OG 2.89Å; S167-V220 CarbonylContact C-O 3.57Å; S167-V220 WeakPolarHBondContact CA-O 3.4Å
168	L	97.6	Very high	89.5	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	117	173.7	173.8	51.2	0	0	0	108.4	I120 V156 T157 Y158 F170 I209 V220	I120-L168 HydrophobicContact CD1-CD1 4.25Å; I120-L168 HydrophobicContact CD1-CD2 4.35Å; I120-L168 HydrophobicContact CG2-CD1 4.09Å; I120-L168 HydrophobicContact CG2-CD2 4.42Å; V156-L168 HydrophobicContact CB-CD1 4.26Å; T157-L168 WeakPolarHBondContact O-CA 3.32Å; Y158-L168 HydrophobicContact CD2-CB 3.79Å; Y158-L168 HydrophobicContact CD2-CD1 4.09Å; Y158-L168 HydrophobicContact CD2-CD2 4.4Å; Y158-L168 HydrophobicContact CD2-CG 4.3Å; Y158-L168 HydrophobicContact CE2-CB 4.09Å; L168-F170 HydrophobicContact CD1-CD1 4.11Å; L168-F170 HydrophobicContact CD1-CE1 3.73Å; L168-F170 HydrophobicContact CD2-CE1 3.52Å; L168-F170 HydrophobicContact CD2-CZ 3.76Å; L168-F170 HydrophobicContact CG-CD1 4.11Å; L168-F170 HydrophobicContact CG-CE1 3.4Å; L168-F170 VanDerWaalsContact CG-CE1 3.4Å; L168-F170 HydrophobicContact CG-CZ 3.87Å; L168-I209 HydrophobicContact CD2-CD1 3.74Å; L168-V220 HydrophobicContact CB-CB 4.4Å; L168-V220 PolarHBondContact N-O 2.86Å; L168-V220 PolarHBondContact O-N 3.25Å
169	Y	97.4	Very high	87.8	Confident	6 Å²	6	38 Å²	38	2%	0.024	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.4	177.8	-179.9	-102.4	0	0	0	110.6	Q64 P66 V156 T157 S171 T218 L219	Q64-Y169 HydrophobicContact CB-CE2 4.32Å; Q64-Y169 PolarHBondContact O-OH 3.32Å; P66-Y169 HydrophobicContact CB-CD1 4.15Å; P66-Y169 HydrophobicContact CB-CE1 3.69Å; P66-Y169 HydrophobicContact CG-CE1 3.66Å; V156-Y169 WeakPolarHBondContact CA-O 3.45Å; T157-Y169 PolarHBondContact N-O 2.88Å; T157-Y169 PolarHBondContact O-N 2.88Å; Y169-S171 VanDerWaalsContact CE1-CA 3.49Å; Y169-S171 WeakPolarHBondContact CE1-OG 3.29Å; Y169-T218 WeakPolarHBondContact CA-O 3.12Å; Y169-T218 WeakPolarHBondContact CD2-O 3.5Å; Y169-L219 HydrophobicContact CD2-CB 4.31Å; Y169-L219 HydrophobicContact CD2-CD1 4.39Å
170	F	94.2	Very high	86.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	104.9	173.1	-52.3	-40.4	0	0	0	108.7	F121 V156 L168 I173 I209 I214 K215 G216 R217 T218 V220	F121-F170 HydrophobicContact CE1-CD1 4.42Å; F121-F170 AromaticContact CE1-CE1 3.68Å; F121-F170 HydrophobicContact CE1-CE1 3.68Å; F121-F170 AromaticContact CE1-CZ 3.89Å; F121-F170 HydrophobicContact CE1-CZ 3.89Å; F121-F170 HydrophobicContact CE2-CD1 4.13Å; F121-F170 HydrophobicContact CE2-CE1 4.04Å; F121-F170 AromaticContact CZ-CD1 3.52Å; F121-F170 HydrophobicContact CZ-CD1 3.52Å; F121-F170 AromaticContact CZ-CE1 3.19Å; F121-F170 HydrophobicContact CZ-CE1 3.19Å; F121-F170 HydrophobicContact CZ-CE2 4.49Å; F121-F170 HydrophobicContact CZ-CG 4.28Å; F121-F170 AromaticContact CZ-CZ 3.78Å; F121-F170 HydrophobicContact CZ-CZ 3.78Å; V156-F170 HydrophobicContact CG1-CD1 3.76Å; V156-F170 HydrophobicContact CG1-CE1 4.41Å; L168-F170 HydrophobicContact CD1-CD1 4.11Å; L168-F170 HydrophobicContact CD1-CE1 3.73Å; L168-F170 HydrophobicContact CD2-CE1 3.52Å; L168-F170 HydrophobicContact CD2-CZ 3.76Å; L168-F170 HydrophobicContact CG-CD1 4.11Å; L168-F170 HydrophobicContact CG-CE1 3.4Å; L168-F170 VanDerWaalsContact CG-CE1 3.4Å; L168-F170 HydrophobicContact CG-CZ 3.87Å; F170-I173 HydrophobicContact CB-CD1 3.95Å; F170-I173 HydrophobicContact CB-CG1 3.99Å; F170-I173 HydrophobicContact CD1-CD1 4.15Å; F170-I173 HydrophobicContact CG-CD1 4.07Å; F170-I173 HydrophobicContact CG-CG1 4.31Å; F170-I209 HydrophobicContact CZ-CD1 4.18Å; F170-I214 HydrophobicContact CD2-CG2 4.23Å; F170-I214 HydrophobicContact CE2-CB 4.3Å; F170-I214 HydrophobicContact CE2-CG1 4.3Å; F170-I214 HydrophobicContact CE2-CG2 3.92Å; F170-I214 HydrophobicContact CZ-CG2 4.19Å; F170-K215 WeakPolarHBondContact CB-O 3.3Å; F170-G216 CarbonylContact O-C 3.5Å; F170-R217 VanDerWaalsContact O-CA 3.3Å; F170-R217 WeakPolarHBondContact O-CA 3.26Å; F170-R217 PolarHBondContact O-N 3.02Å; F170-T218 HydrophobicContact CD2-CG2 4.29Å; F170-T218 HydrophobicContact CE2-CG2 4.46Å; F170-T218 PolarHBondContact N-O 3.11Å; F170-V220 HydrophobicContact CE2-CG2 4.17Å; F170-V220 HydrophobicContact CZ-CG2 4.46Å
171	S	93	Very high	85.1	Confident	26 Å²	26	47.4 Å²	47.4	18%	0.182	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	-52.3	176.1	-65	0	0	0	0	110.2	E155 Y169 R217	E155-S171 WeakPolarHBondContact O-CB 3.46Å; E155-S171 PolarHBondContact O-N 2.73Å; E155-S171 PolarHBondContact OE1-OG 3.11Å; E155-S171 VanDerWaalsContact OE1-OG 3.04Å; Y169-S171 VanDerWaalsContact CE1-CA 3.49Å; Y169-S171 WeakPolarHBondContact CE1-OG 3.29Å; S171-R217 PolarHBondContact O-N 2.93Å
172	N	89.1	Confident	84.5	Confident	62 Å²	62	45.5 Å²	45.5	33%	0.332	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	143.7	174.2	62.1	-43.8	0	0	0	109.2	G153 G154 E155	G153-N172 PolarHBondContact O-ND2 2.67Å; G153-N172 VanDerWaalsContact O-ND2 3.13Å; G154-N172 WeakPolarHBondContact CA-O 3.19Å; G154-N172 WeakPolarHBondContact CA-OD1 3.28Å; E155-N172 PolarHBondContact N-O 2.63Å; E155-N172 PolarHBondContact N-OD1 2.78Å; E155-N172 VanDerWaalsContact N-OD1 3.1Å
173	I	84.3	Confident	84.3	Confident	16 Å²	16	44.7 Å²	44.7	8%	0.082	24%	0.24	C	C	.	.			trans	-119.6	124.5	175	-58	-61.3	0	0	0	106.7	F121 V156 F170 K175 I177 V178 I214	F121-I173 HydrophobicContact CE2-CD1 3.42Å; F121-I173 VanDerWaalsContact CE2-CD1 3.42Å; F121-I173 HydrophobicContact CZ-CD1 3.48Å; F121-I173 VanDerWaalsContact CZ-CD1 3.48Å; V156-I173 HydrophobicContact CG1-CD1 4.26Å; F170-I173 HydrophobicContact CB-CD1 3.95Å; F170-I173 HydrophobicContact CB-CG1 3.99Å; F170-I173 HydrophobicContact CD1-CD1 4.15Å; F170-I173 HydrophobicContact CG-CD1 4.07Å; F170-I173 HydrophobicContact CG-CG1 4.31Å; I173-K175 PolarHBondContact O-N 3.34Å; I173-I177 HydrophobicContact CG2-CB 4.2Å; I173-I177 HydrophobicContact CG2-CG2 4.23Å; I173-V178 HydrophobicContact CG2-CG2 4.2Å; I173-I214 HydrophobicContact CG1-CG2 4.44Å
174	P	78.8	Confident	84.3	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	21%	0.214	C	C	.	.			trans	-52.1	135.9	175.5	-21.5	25.1	0	0	0	111.1	V145 Y150 G153 E176 I177	V145-P174 HydrophobicContact CG1-CG 4.13Å; Y150-P174 HydrophobicContact CD1-CB 4.32Å; Y150-P174 HydrophobicContact CD1-CG 4.44Å; Y150-P174 HydrophobicContact CG-CB 4.49Å; Y150-P174 HydrophobicContact CG-CG 4.2Å; G153-P174 WeakPolarHBondContact O-CD 3.18Å; G153-P174 VanDerWaalsContact O-CG 3.28Å; G153-P174 WeakPolarHBondContact O-CG 3.46Å; P174-E176 WeakPolarHBondContact CB-OE2 2.85Å; P174-E176 PolarHBondContact O-N 3.02Å; P174-I177 HydrophobicContact CB-CD1 3.96Å; P174-I177 HydrophobicContact CB-CG1 4.02Å; P174-I177 HydrophobicContact CG-CD1 3.59Å; P174-I177 HydrophobicContact CG-CG1 4.22Å; P174-I177 WeakPolarHBondContact O-CB 3.48Å; P174-I177 PolarHBondContact O-N 3.44Å
175	K	74.7	Confident	84.4	Confident	154 Å²	154	39.9 Å²	39.9	67%	0.67	21%	0.213	S	C	*	.	H	α-helix	trans	-60.8	-30.8	-178.9	-69.9	173.3	-173.5	159.7	0	112.5	E152 I173 I177 V178	E152-K175 IonicContact OE1-NZ 3.01Å; E152-K175 PolarHBondContact OE2-N 2.88Å; I173-K175 PolarHBondContact O-N 3.34Å; K175-I177 PolarHBondContact O-N 3.25Å; K175-V178 PolarHBondContact O-N 2.98Å
176	E	68.3	Low	84.4	Confident	100 Å²	100	37.9 Å²	37.9	47%	0.467	20%	0.204	S	C	.	.	H	α-helix	trans	-58	-29.1	177	-58.5	85.7	173.6	0	0	111.7	Y150 P174	Y150-E176 HydrophobicContact CD1-CB 4.48Å; P174-E176 WeakPolarHBondContact CB-OE2 2.85Å; P174-E176 PolarHBondContact O-N 3.02Å
177	I	67.1	Low	84.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-85	-30.4	-177.2	-60.2	-178.1	0	0	0	111.7	I124 V145 Y150 I173 P174 K175 G179 E180 L182	I124-I177 HydrophobicContact CD1-CD1 3.59Å; I124-I177 HydrophobicContact CD1-CG2 3.59Å; I124-I177 HydrophobicContact CG1-CD1 3.91Å; I124-I177 HydrophobicContact CG1-CG2 4.03Å; I124-I177 HydrophobicContact CG2-CD1 4.24Å; V145-I177 HydrophobicContact CG1-CD1 4.41Å; Y150-I177 HydrophobicContact CD1-CD1 3.65Å; Y150-I177 HydrophobicContact CD1-CG1 3.63Å; Y150-I177 HydrophobicContact CD2-CD1 4.26Å; Y150-I177 HydrophobicContact CE1-CD1 3.52Å; Y150-I177 HydrophobicContact CE1-CG1 3.33Å; Y150-I177 HydrophobicContact CE2-CD1 4.11Å; Y150-I177 HydrophobicContact CG-CD1 4Å; Y150-I177 HydrophobicContact CG-CG1 4.46Å; I173-I177 HydrophobicContact CG2-CB 4.2Å; I173-I177 HydrophobicContact CG2-CG2 4.23Å; P174-I177 HydrophobicContact CB-CD1 3.96Å; P174-I177 HydrophobicContact CB-CG1 4.02Å; P174-I177 HydrophobicContact CG-CD1 3.59Å; P174-I177 HydrophobicContact CG-CG1 4.22Å; P174-I177 WeakPolarHBondContact O-CB 3.48Å; P174-I177 PolarHBondContact O-N 3.44Å; K175-I177 PolarHBondContact O-N 3.25Å; I177-G179 PolarHBondContact O-N 3.13Å; I177-E180 PolarHBondContact O-N 2.03Å; I177-L182 HydrophobicContact CG2-CB 4.42Å; I177-L182 HydrophobicContact CG2-CD1 3.98Å; I177-L182 HydrophobicContact CG2-CD2 3.76Å; I177-L182 HydrophobicContact CG2-CG 4.27Å
178	V	65.5	Low	84.3	Confident	64 Å²	64	38.5 Å²	38.5	39%	0.388	21%	0.206	S	C	.	.	H	α-helix	trans	-58.7	-21.7	-175.5	-178.2	0	0	0	0	111.9	I173 K175 K211	I173-V178 HydrophobicContact CG2-CG2 4.2Å; K175-V178 PolarHBondContact O-N 2.98Å; V178-K211 WeakPolarHBondContact O-CE 3.44Å
179	G	61.5	Low	84.2	Confident	59 Å²	59	39.9 Å²	39.9	61%	0.608	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-28.9	175.5	0	0	0	0	0	116	I177 K211	I177-G179 PolarHBondContact O-N 3.13Å; G179-K211 PolarHBondContact O-NZ 3.28Å
180	E	66	Low	84	Confident	96 Å²	96	39.9 Å²	39.9	45%	0.449	21%	0.211	S	C	.	.	S	Bend	trans	-70.2	164.5	-174.4	-63	-160.7	152.8	0	0	112.2	I177 L182 K211	I177-E180 PolarHBondContact O-N 2.03Å; E180-L182 PolarHBondContact O-N 3.17Å; E180-K211 WeakPolarHBondContact O-CE 3.28Å; E180-K211 PolarHBondContact O-NZ 3.02Å
181	N	72.4	Confident	83.9	Confident	111 Å²	111	43.1 Å²	43.1	59%	0.594	23%	0.225	S	C	*	.			trans	-69.9	61.3	169.2	-72.8	-19.6	0	0	0	109.7	K123	K123-N181 PolarHBondContact NZ-O 2.78Å
182	L	84.6	Confident	83.8	Confident	10 Å²	10	42.1 Å²	42.1	5%	0.052	22%	0.218	C	C	.	.			trans	-69.6	126.6	175	-177.7	66.6	0	0	0	108.3	F121 I124 I177 E180 I214	F121-L182 HydrophobicContact CB-CD1 3.75Å; F121-L182 HydrophobicContact CD1-CD1 3.58Å; F121-L182 HydrophobicContact CD1-CD2 3.75Å; F121-L182 HydrophobicContact CD1-CG 3.82Å; F121-L182 HydrophobicContact CE1-CD1 4.43Å; F121-L182 HydrophobicContact CE1-CD2 3.76Å; F121-L182 HydrophobicContact CE1-CG 4.29Å; F121-L182 HydrophobicContact CG-CD1 3.82Å; F121-L182 HydrophobicContact CG-CD2 4.49Å; F121-L182 HydrophobicContact CZ-CD2 4.37Å; I124-L182 HydrophobicContact CD1-CD1 3.54Å; I124-L182 HydrophobicContact CG1-CD1 3.68Å; I177-L182 HydrophobicContact CG2-CB 4.42Å; I177-L182 HydrophobicContact CG2-CD1 3.98Å; I177-L182 HydrophobicContact CG2-CD2 3.76Å; I177-L182 HydrophobicContact CG2-CG 4.27Å; E180-L182 PolarHBondContact O-N 3.17Å; L182-I214 HydrophobicContact CD2-CB 4.13Å; L182-I214 HydrophobicContact CD2-CD1 3.95Å; L182-I214 HydrophobicContact CD2-CG2 3.43Å; L182-I214 VanDerWaalsContact CD2-CG2 3.43Å; L182-I214 HydrophobicContact CG-CD1 4.17Å
183	E	91.6	Very high	83.9	Confident	64 Å²	64	40.2 Å²	40.2	30%	0.299	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.2	-178.4	-68.3	178	-153.7	0	0	108.9	F121 Q122 W185 Q208	F121-E183 CarbonylContact C-O 3.54Å; F121-E183 WeakPolarHBondContact CA-O 3.04Å; Q122-E183 HydrophobicContact CB-CB 4.15Å; Q122-E183 PolarHBondContact N-O 3.41Å; Q122-E183 PolarHBondContact OE1-OE2 2.85Å; Q122-E183 VanDerWaalsContact OE1-OE2 3.12Å; E183-W185 HydrophobicContact CB-CE3 3.84Å; E183-W185 HydrophobicContact CB-CZ3 3.45Å; E183-W185 VanDerWaalsContact CB-CZ3 3.45Å; E183-Q208 VanDerWaalsContact CA-NE2 3.35Å
184	S	95.2	Very high	84.1	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.014	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	130.8	179.3	-177.4	0	0	0	0	108.2	H119 I120 Q208 I209	H119-S184 WeakPolarHBondContact O-CA 3.5Å; H119-S184 PolarHBondContact O-OG 2.85Å; I120-S184 WeakPolarHBondContact O-CB 3.46Å; I120-S184 PolarHBondContact O-OG 3.32Å; S184-Q208 VanDerWaalsContact O-CD 3.29Å; S184-Q208 PolarHBondContact O-NE2 3.06Å; S184-I209 PolarHBondContact O-N 3.41Å; S184-I209 VanDerWaalsContact OG-CD1 3.23Å; S184-I209 WeakPolarHBondContact OG-CD1 3.47Å
185	W	97.2	Very high	84.6	Confident	8 Å²	8	48.5 Å²	48.5	3%	0.03	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	165.7	-175	67.1	86.9	0	0	0	113.8	H119 Q122 E183 D187 R206 I207	H119-W185 HydrophobicContact CB-CD2 3.83Å; H119-W185 HydrophobicContact CB-CE3 4.1Å; H119-W185 HydrophobicContact CB-CG 4.38Å; H119-W185 HydrophobicContact CB-CH2 4.06Å; H119-W185 HydrophobicContact CB-CZ2 3.78Å; H119-W185 HydrophobicContact CB-CZ3 4.19Å; H119-W185 AromaticContact CD2-CE2 3.45Å; H119-W185 VanDerWaalsContact CD2-CE2 3.45Å; H119-W185 AromaticContact CD2-CZ2 3.4Å; H119-W185 VanDerWaalsContact CD2-CZ2 3.4Å; H119-W185 WeakPolarHBondContact CD2-CZ2 3.23Å; H119-W185 AromaticContact CD2-NE1 3.37Å; H119-W185 PolarHBondContact CD2-NE1 3.41Å; H119-W185 AromaticContact CE1-CZ2 3.98Å; H119-W185 AromaticContact CG-CE2 3.56Å; H119-W185 AromaticContact CG-CH2 3.88Å; H119-W185 AromaticContact CG-CZ2 3.35Å; H119-W185 AromaticContact CG-NE1 3.91Å; H119-W185 PolarHBondContact N-O 3Å; H119-W185 AromaticContact ND1-CZ2 3.74Å; H119-W185 AromaticContact NE2-CZ2 3.77Å; H119-W185 PolarHBondContact O-N 3Å; Q122-W185 HydrophobicContact CB-CH2 3.98Å; Q122-W185 HydrophobicContact CB-CZ3 3.83Å; Q122-W185 HydrophobicContact CG-CH2 4.02Å; Q122-W185 HydrophobicContact CG-CZ3 4.33Å; E183-W185 HydrophobicContact CB-CE3 3.84Å; E183-W185 HydrophobicContact CB-CZ3 3.45Å; E183-W185 VanDerWaalsContact CB-CZ3 3.45Å; W185-D187 PolarHBondContact NE1-OD2 3.07Å; W185-R206 HydrophobicContact CB-CG 3.71Å; W185-R206 VanDerWaalsContact CD1-NE 3.33Å; W185-R206 HydrophobicContact CG-CG 3.75Å; W185-I207 WeakPolarHBondContact CA-O 3.39Å; W185-I207 VanDerWaalsContact CB-O 3.29Å; W185-I207 WeakPolarHBondContact CB-O 3.19Å
186	I	98.3	Very high	85.4	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.2	163.6	68	169.5	0	0	0	108.8	Y56 Y92 I118 M166 R206 I207 F222	Y56-I186 HydrophobicContact CD2-CD1 4.27Å; Y56-I186 HydrophobicContact CE2-CD1 4.46Å; Y92-I186 HydrophobicContact CE2-CD1 4.25Å; Y92-I186 HydrophobicContact CE2-CG1 4.42Å; Y92-I186 PolarHBondContact OH-O 2.85Å; I118-I186 HydrophobicContact CB-CG2 4.26Å; I118-I186 HydrophobicContact CG1-CB 4.32Å; I118-I186 HydrophobicContact CG1-CG2 3.77Å; I118-I186 HydrophobicContact CG2-CG2 4.03Å; M166-I186 HydrophobicContact CE-CD1 3.58Å; I186-R206 WeakPolarHBondContact O-CA 3.03Å; I186-I207 HydrophobicContact CD1-CD1 4.14Å; I186-I207 HydrophobicContact CG1-CB 3.87Å; I186-I207 HydrophobicContact CG1-CD1 4.23Å; I186-I207 HydrophobicContact CG1-CG1 4.35Å; I186-I207 PolarHBondContact N-O 3.15Å; I186-I207 VanDerWaalsContact N-O 3.07Å; I186-I207 PolarHBondContact O-N 3.27Å; I186-F222 HydrophobicContact CD1-CB 4.05Å; I186-F222 HydrophobicContact CD1-CD1 3.57Å; I186-F222 HydrophobicContact CD1-CD2 4.16Å; I186-F222 HydrophobicContact CD1-CE1 3.97Å; I186-F222 HydrophobicContact CD1-CG 3.66Å; I186-F222 HydrophobicContact CD1-CZ 4.43Å; I186-F222 HydrophobicContact CG1-CD1 4.16Å; I186-F222 HydrophobicContact CG1-CE1 4.05Å; I186-F222 HydrophobicContact CG1-CZ 4.35Å; I186-F222 HydrophobicContact CG2-CD2 4.47Å; I186-F222 HydrophobicContact CG2-CE2 4.1Å; I186-F222 HydrophobicContact CG2-CZ 4.23Å
187	D	97.3	Very high	86.3	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	154.5	173.6	61.7	31.6	0	0	0	112.6	Y91 G116 Q117 W185 R189 P203 R206	Y91-D187 VanDerWaalsContact CE1-O 3.26Å; Y91-D187 WeakPolarHBondContact CE1-O 3.4Å; Y91-D187 VanDerWaalsContact OH-C 3.3Å; Y91-D187 PolarHBondContact OH-N 3.33Å; Y91-D187 PolarHBondContact OH-O 3.07Å; G116-D187 VanDerWaalsContact CA-O 3.31Å; G116-D187 WeakPolarHBondContact CA-O 3.44Å; Q117-D187 WeakPolarHBondContact CB-OD1 3.4Å; Q117-D187 PolarHBondContact N-O 3.24Å; Q117-D187 PolarHBondContact O-N 3.3Å; W185-D187 PolarHBondContact NE1-OD2 3.07Å; D187-R189 IonicContact OD1-CZ 2.67Å; D187-R189 IonicContact OD1-NE 3.11Å; D187-R189 PolarHBondContact OD1-NE 2.84Å; D187-R189 IonicContact OD1-NH2 4Å; D187-R189 PolarHBondContact OD1-NH2 3.07Å; D187-R189 IonicContact OD2-CZ 3.95Å; D187-R189 IonicContact OD2-NE 2.57Å; D187-R189 IonicContact OD2-NH2 3.86Å; D187-R189 PolarHBondContact OD2-NH2 3.04Å; D187-P203 HydrophobicContact CB-CB 4.4Å; D187-R206 HydrophobicContact CB-CB 3.95Å; D187-R206 HydrophobicContact CB-CG 4.22Å; D187-R206 IonicContact OD2-CZ 3.11Å; D187-R206 IonicContact OD2-NE 2.63Å; D187-R206 PolarHBondContact OD2-NE 3.37Å; D187-R206 IonicContact OD2-NH2 3.61Å; D187-R206 PolarHBondContact OD2-NH2 2.87Å
188	Y	96.9	Very high	87.5	Confident	24 Å²	24	52 Å²	52	9%	0.094	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	147.3	163.1	-175.1	-107.4	0	0	0	109.1	Y92 Q94 I115 Y190 P203 Y204 T263	Y92-Y188 HydrophobicContact CD1-CG 4.48Å; Y92-Y188 HydrophobicContact CG-CD2 4.23Å; Y92-Y188 HydrophobicContact CG-CG 4.42Å; Q94-Y188 HydrophobicContact CB-CE2 4.42Å; Q94-Y188 HydrophobicContact CG-CE2 3.62Å; I115-Y188 HydrophobicContact CB-CE2 3.93Å; I115-Y188 WeakPolarHBondContact O-CA 3.28Å; I115-Y188 WeakPolarHBondContact O-CD2 3.34Å; I115-Y188 WeakPolarHBondContact O-CE2 3.4Å; Y188-Y190 HydrophobicContact CD1-CD2 4.2Å; Y188-Y190 AromaticContact CE1-CD2 3.74Å; Y188-Y190 HydrophobicContact CE1-CD2 3.74Å; Y188-Y190 HydrophobicContact CE1-CG 4.24Å; Y188-P203 WeakPolarHBondContact O-CA 3.43Å; Y188-Y204 HydrophobicContact CD1-CD1 4.06Å; Y188-Y204 HydrophobicContact CD1-CG 4.29Å; Y188-Y204 HydrophobicContact CG-CD1 4.24Å; Y188-Y204 PolarHBondContact N-O 2.96Å; Y188-Y204 PolarHBondContact O-N 2.82Å; Y188-T263 HydrophobicContact CD1-CG2 4.29Å; Y188-T263 HydrophobicContact CD2-CG2 4.32Å; Y188-T263 HydrophobicContact CE1-CG2 4.46Å; Y188-T263 HydrophobicContact CG-CG2 4.24Å
189	R	95.5	Very high	88.8	Confident	33 Å²	33	53 Å²	53	13%	0.125	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	98.8	178.2	-68.2	-67.9	169.7	168.4	-1	109.1	L114 I115 Q117 D187 F201	L114-R189 HydrophobicContact CD2-CB 4.13Å; L114-R189 HydrophobicContact CD2-CG 4.01Å; L114-R189 HydrophobicContact CG-CB 3.96Å; L114-R189 HydrophobicContact CG-CG 4.09Å; I115-R189 PolarHBondContact O-N 3.43Å; Q117-R189 HydrophobicContact CB-CG 4.37Å; D187-R189 IonicContact OD1-CZ 2.67Å; D187-R189 IonicContact OD1-NE 3.11Å; D187-R189 PolarHBondContact OD1-NE 2.84Å; D187-R189 IonicContact OD1-NH2 4Å; D187-R189 PolarHBondContact OD1-NH2 3.07Å; D187-R189 IonicContact OD2-CZ 3.95Å; D187-R189 IonicContact OD2-NE 2.57Å; D187-R189 IonicContact OD2-NH2 3.86Å; D187-R189 PolarHBondContact OD2-NH2 3.04Å; R189-F201 HydrophobicContact CB-CB 4.22Å
190	Y	92.5	Very high	90.4	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.02	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	119.6	-174.5	-167.2	-77.9	0	0	0	110.9	H32 I33 Y188 C192 F201 E202 S265 K266	H32-Y190 AromaticContact CE1-CE1 3.65Å; H32-Y190 AromaticContact CE1-CZ 3.71Å; H32-Y190 PolarHBondContact CE1-OH 2.86Å; H32-Y190 AromaticContact NE2-CZ 3.61Å; H32-Y190 PolarHBondContact NE2-OH 3.26Å; H32-Y190 VanDerWaalsContact NE2-OH 3.14Å; I33-Y190 VanDerWaalsContact CD1-CB 3.42Å; I33-Y190 HydrophobicContact CD1-CD1 3.58Å; I33-Y190 HydrophobicContact CD1-CD2 4.38Å; I33-Y190 HydrophobicContact CD1-CE1 4.45Å; I33-Y190 HydrophobicContact CD1-CG 3.54Å; I33-Y190 HydrophobicContact CG1-CD1 4.37Å; I33-Y190 HydrophobicContact CG2-CD2 4.15Å; I33-Y190 HydrophobicContact CG2-CE2 4.16Å; I33-Y190 HydrophobicContact CG2-CG 4.33Å; Y188-Y190 HydrophobicContact CD1-CD2 4.2Å; Y188-Y190 AromaticContact CE1-CD2 3.74Å; Y188-Y190 HydrophobicContact CE1-CD2 3.74Å; Y188-Y190 HydrophobicContact CE1-CG 4.24Å; Y190-C192 HydrophobicContact CD1-CB 3.88Å; Y190-C192 HydrophobicContact CE1-CB 4.09Å; Y190-C192 PolarHBondContact O-N 2.76Å; Y190-F201 WeakPolarHBondContact O-CA 3.38Å; Y190-E202 PolarHBondContact N-O 3.04Å; Y190-E202 PolarHBondContact O-N 2.88Å; Y190-S265 WeakPolarHBondContact CE2-OG 3.36Å; Y190-S265 PolarHBondContact OH-OG 2.88Å; Y190-S265 VanDerWaalsContact OH-OG 3.05Å; Y190-K266 VanDerWaalsContact OH-CA 3.3Å; Y190-K266 WeakPolarHBondContact OH-CA 3.39Å; Y190-K266 VanDerWaalsContact OH-CB 3.28Å; Y190-K266 WeakPolarHBondContact OH-CB 3.45Å; Y190-K266 PolarHBondContact OH-N 2.93Å; Y190-K266 VanDerWaalsContact OH-N 3.1Å
191	K	92.1	Very high	91.7	Very high	68 Å²	68	50.3 Å²	50.3	30%	0.296	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	110.7	178	-172	173.6	180	172.4	0	111	D113 T199 V200 F201	D113-K191 HydrophobicContact CB-CD 4.37Å; D113-K191 IonicContact OD1-NZ 3.27Å; D113-K191 PolarHBondContact OD1-NZ 2.9Å; D113-K191 VanDerWaalsContact OD2-CD 3.28Å; D113-K191 WeakPolarHBondContact OD2-CD 3.22Å; D113-K191 IonicContact OD2-NZ 3.59Å; D113-K191 PolarHBondContact OD2-NZ 2.79Å; K191-T199 HydrophobicContact CD-CG2 4.34Å; K191-T199 HydrophobicContact CG-CG2 3.86Å; K191-V200 WeakPolarHBondContact CA-O 3.18Å; K191-F201 HydrophobicContact CB-CD1 4Å; K191-F201 HydrophobicContact CB-CE1 3.74Å; K191-F201 HydrophobicContact CD-CE1 3.9Å; K191-F201 HydrophobicContact CD-CZ 3.99Å; K191-F201 HydrophobicContact CG-CD1 4.41Å; K191-F201 HydrophobicContact CG-CE1 3.86Å; K191-F201 HydrophobicContact CG-CZ 4.14Å
192	C	90.7	Very high	92.7	Very high	6 Å²	6	48.9 Å²	48.9	4%	0.041	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	178	-178.6	54	0	0	0	0	111.3	F28 C30 Y190 V200	F28-C192 CarbonylContact O-C 3.59Å; F28-C192 WeakPolarHBondContact O-CA 3.45Å; F28-C192 VanDerWaalsContact O-CB 3.29Å; F28-C192 WeakPolarHBondContact O-CB 3.26Å; C30-C192 WeakPolarHBondContact CA-SG 3.31Å; C30-C192 HydrophobicContact CB-CB 3.97Å; C30-C192 WeakPolarHBondContact CB-SG 3.45Å; C30-C192 WeakPolarHBondContact SG-CB 3.43Å; C30-C192 CovalentContact SG-SG 2.03Å; C30-C192 PolarHBondContact SG-SG 2.87Å; Y190-C192 HydrophobicContact CD1-CB 3.88Å; Y190-C192 HydrophobicContact CE1-CB 4.09Å; Y190-C192 PolarHBondContact O-N 2.76Å; C192-V200 PolarHBondContact N-O 2.82Å; C192-V200 PolarHBondContact O-N 3.08Å
193	L	90.8	Very high	93.2	Very high	21 Å²	21	50.8 Å²	50.8	11%	0.11	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.6	175	-63.3	169.8	0	0	0	110.4	Q27 F28 T29 C30 N198	Q27-L193 HydrophobicContact CB-CD1 3.32Å; Q27-L193 HydrophobicContact CG-CD1 3.43Å; Q27-L193 VanDerWaalsContact CG-CD1 3.43Å; F28-L193 PolarHBondContact O-N 2.8Å; T29-L193 WeakPolarHBondContact CA-O 3.28Å; C30-L193 PolarHBondContact N-O 3.19Å; C30-L193 VanDerWaalsContact SG-C 3.55Å; C30-L193 PolarHBondContact SG-O 2.84Å; L193-N198 VanDerWaalsContact CA-O 3.31Å; L193-N198 WeakPolarHBondContact CA-O 3.26Å
194	D	89.8	Confident	93.4	Very high	35 Å²	35	47.9 Å²	47.9	19%	0.187	24%	0.237	C	C	.	.			trans	-73.5	-175.6	172.5	72.6	8.1	0	0	0	111.6	Q196 N197 N198 V200	D194-Q196 PolarHBondContact O-N 3.08Å; D194-Q196 VanDerWaalsContact OD1-CA 3.26Å; D194-Q196 WeakPolarHBondContact OD1-CA 3.31Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.45Å; D194-Q196 PolarHBondContact OD1-N 3.37Å; D194-N197 PolarHBondContact O-N 2.84Å; D194-N197 PolarHBondContact OD1-N 3.36Å; D194-N198 PolarHBondContact N-O 2.9Å; D194-N198 PolarHBondContact OD1-N 2.85Å; D194-N198 WeakPolarHBondContact OD2-CB 3.4Å; D194-N198 PolarHBondContact OD2-ND2 2.81Å; D194-N198 VanDerWaalsContact OD2-ND2 3.17Å; D194-V200 HydrophobicContact CB-CG1 4.07Å; D194-V200 HydrophobicContact CB-CG2 4Å
195	K	88.6	Confident	93.3	Very high	157 Å²	157	47.9 Å²	47.9	68%	0.683	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.9	179.2	-66.9	-178.1	177.7	-175.2	0	113.6	E31	E31-K195 WeakPolarHBondContact OE1-CE 3.43Å; E31-K195 IonicContact OE1-NZ 3.3Å
196	Q	90.5	Very high	93.3	Very high	135 Å²	135	51.1 Å²	51.1	63%	0.631	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	7.6	179.4	-68.4	76.5	17.5	0	0	111.7	D194 N198	D194-Q196 PolarHBondContact O-N 3.08Å; D194-Q196 VanDerWaalsContact OD1-CA 3.26Å; D194-Q196 WeakPolarHBondContact OD1-CA 3.31Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.45Å; D194-Q196 PolarHBondContact OD1-N 3.37Å; Q196-N198 WeakPolarHBondContact CB-ND2 3.3Å; Q196-N198 PolarHBondContact O-N 3.12Å
197	N	88.9	Confident	93.3	Very high	102 Å²	102	51 Å²	51	55%	0.545	25%	0.249	S	C	.	.	S	Bend	trans	61.7	23.7	-174.9	-65.1	-28.4	0	0	0	114.5	D194	D194-N197 PolarHBondContact O-N 2.84Å; D194-N197 PolarHBondContact OD1-N 3.36Å
198	N	92.4	Very high	93.2	Very high	91 Å²	91	53.4 Å²	53.4	49%	0.487	26%	0.26	S	S	.	.			trans	-82.7	144.2	169	-55.2	-57.7	0	0	0	110	L193 D194 Q196 V200	L193-N198 VanDerWaalsContact CA-O 3.31Å; L193-N198 WeakPolarHBondContact CA-O 3.26Å; D194-N198 PolarHBondContact N-O 2.9Å; D194-N198 PolarHBondContact OD1-N 2.85Å; D194-N198 WeakPolarHBondContact OD2-CB 3.4Å; D194-N198 PolarHBondContact OD2-ND2 2.81Å; D194-N198 VanDerWaalsContact OD2-ND2 3.17Å; Q196-N198 WeakPolarHBondContact CB-ND2 3.3Å; Q196-N198 PolarHBondContact O-N 3.12Å; N198-V200 HydrophobicContact CB-CG1 4.48Å; N198-V200 PolarHBondContact O-N 2.84Å
199	T	92.6	Very high	93.2	Very high	85 Å²	85	52.4 Å²	52.4	52%	0.521	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	121.1	169.5	-61.5	0	0	0	0	109.4	K191	K191-T199 HydrophobicContact CD-CG2 4.34Å; K191-T199 HydrophobicContact CG-CG2 3.86Å
200	V	94	Very high	93.1	Very high	32 Å²	32	51.9 Å²	51.9	19%	0.194	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	165	179.8	-63.2	0	0	0	0	110.7	C30 K191 C192 D194 N198 E202	C30-V200 WeakPolarHBondContact SG-CG2 3.06Å; K191-V200 WeakPolarHBondContact CA-O 3.18Å; C192-V200 PolarHBondContact N-O 2.82Å; C192-V200 PolarHBondContact O-N 3.08Å; D194-V200 HydrophobicContact CB-CG1 4.07Å; D194-V200 HydrophobicContact CB-CG2 4Å; N198-V200 HydrophobicContact CB-CG1 4.48Å; N198-V200 PolarHBondContact O-N 2.84Å; V200-E202 HydrophobicContact CG2-CG 4.01Å
201	F	94.1	Very high	93	Very high	66 Å²	66	55.8 Å²	55.8	29%	0.289	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	84.7	179.4	-69.1	-86.3	0	0	0	109.6	D113 L114 R189 Y190 K191	D113-F201 HydrophobicContact CB-CE1 3.85Å; D113-F201 HydrophobicContact CB-CZ 4.05Å; L114-F201 HydrophobicContact CB-CD1 4.02Å; L114-F201 HydrophobicContact CB-CE1 4.01Å; L114-F201 HydrophobicContact CB-CG 4.39Å; L114-F201 HydrophobicContact CB-CZ 4.37Å; L114-F201 HydrophobicContact CD2-CB 4.15Å; L114-F201 HydrophobicContact CD2-CG 4.2Å; L114-F201 VanDerWaalsContact O-CD1 3.32Å; L114-F201 WeakPolarHBondContact O-CD1 3.32Å; L114-F201 VanDerWaalsContact O-CE1 3.3Å; L114-F201 WeakPolarHBondContact O-CE1 3.24Å; R189-F201 HydrophobicContact CB-CB 4.22Å; Y190-F201 WeakPolarHBondContact O-CA 3.38Å; K191-F201 HydrophobicContact CB-CD1 4Å; K191-F201 HydrophobicContact CB-CE1 3.74Å; K191-F201 HydrophobicContact CD-CE1 3.9Å; K191-F201 HydrophobicContact CD-CZ 3.99Å; K191-F201 HydrophobicContact CG-CD1 4.41Å; K191-F201 HydrophobicContact CG-CE1 3.86Å; K191-F201 HydrophobicContact CG-CZ 4.14Å
202	E	93.8	Very high	92.9	Very high	81 Å²	81	56.9 Å²	56.9	38%	0.379	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	142.2	-176	-71.1	-66.6	159.7	0	0	111.3	C30 I33 Y190 V200 Y204	C30-E202 HydrophobicContact CB-CG 3.86Å; C30-E202 VanDerWaalsContact SG-CG 3.52Å; I33-E202 HydrophobicContact CD1-CB 3.97Å; Y190-E202 PolarHBondContact N-O 3.04Å; Y190-E202 PolarHBondContact O-N 2.88Å; V200-E202 HydrophobicContact CG2-CG 4.01Å; E202-Y204 PolarHBondContact O-N 3.39Å
203	P	94.7	Very high	93	Very high	49 Å²	49	56.7 Å²	56.7	32%	0.318	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	130.4	173.8	29.2	-32.7	0	0	0	110	D187 Y188	D187-P203 HydrophobicContact CB-CB 4.4Å; Y188-P203 WeakPolarHBondContact O-CA 3.43Å
204	Y	94.6	Very high	93	Very high	3 Å²	3	55.8 Å²	55.8	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.7	175.4	163.3	-85.1	0	0	0	109.6	I33 V36 E55 Y92 Y188 E202 R206 R261 D262 T263	I33-Y204 HydrophobicContact CB-CD2 4.24Å; I33-Y204 HydrophobicContact CG2-CD2 4.07Å; V36-Y204 HydrophobicContact CB-CD2 4.04Å; V36-Y204 HydrophobicContact CB-CE2 3.9Å; V36-Y204 HydrophobicContact CG1-CD2 4.06Å; V36-Y204 HydrophobicContact CG1-CE2 3.43Å; V36-Y204 VanDerWaalsContact CG1-CE2 3.43Å; V36-Y204 HydrophobicContact CG2-CE2 4.4Å; E55-Y204 WeakPolarHBondContact OE1-CE1 3.44Å; E55-Y204 PolarHBondContact OE1-OH 3.45Å; Y92-Y204 HydrophobicContact CD1-CD1 4.46Å; Y92-Y204 HydrophobicContact CD1-CE1 4.36Å; Y188-Y204 HydrophobicContact CD1-CD1 4.06Å; Y188-Y204 HydrophobicContact CD1-CG 4.29Å; Y188-Y204 HydrophobicContact CG-CD1 4.24Å; Y188-Y204 PolarHBondContact N-O 2.96Å; Y188-Y204 PolarHBondContact O-N 2.82Å; E202-Y204 PolarHBondContact O-N 3.39Å; Y204-R206 VanDerWaalsContact C-N 3.29Å; Y204-R206 PolarHBondContact O-N 3.22Å; Y204-R261 WeakPolarHBondContact CE2-O 3.43Å; Y204-R261 PolarHBondContact OH-O 2.89Å; Y204-D262 WeakPolarHBondContact OH-CA 3.2Å; Y204-T263 HydrophobicContact CE1-CG2 4.1Å
205	N	94.4	Very high	93	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.011	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	39.5	54	176.5	-161.9	32.4	0	0	0	114	V36 K37 Y38 H53 E55 Y92 I207	V36-N205 HydrophobicContact CG1-CB 4.44Å; V36-N205 VanDerWaalsContact O-CA 3.29Å; V36-N205 WeakPolarHBondContact O-CA 3.23Å; V36-N205 PolarHBondContact O-N 2.82Å; K37-N205 WeakPolarHBondContact CA-OD1 2.98Å; Y38-N205 PolarHBondContact N-OD1 3.25Å; H53-N205 PolarHBondContact O-ND2 3.09Å; E55-N205 PolarHBondContact OE2-ND2 2.82Å; Y92-N205 HydrophobicContact CE1-CB 4.48Å; Y92-N205 PolarHBondContact OH-O 3.18Å; Y92-N205 VanDerWaalsContact OH-O 3.07Å; N205-I207 PolarHBondContact O-N 3.01Å
206	R	96.7	Very high	93.1	Very high	77 Å²	77	52.7 Å²	52.7	29%	0.291	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	127.2	178.6	177	178.3	-67	-179.1	-1.3	111.1	W185 I186 D187 Y204	W185-R206 HydrophobicContact CB-CG 3.71Å; W185-R206 VanDerWaalsContact CD1-NE 3.33Å; W185-R206 HydrophobicContact CG-CG 3.75Å; I186-R206 WeakPolarHBondContact O-CA 3.03Å; D187-R206 HydrophobicContact CB-CB 3.95Å; D187-R206 HydrophobicContact CB-CG 4.22Å; D187-R206 IonicContact OD2-CZ 3.11Å; D187-R206 IonicContact OD2-NE 2.63Å; D187-R206 PolarHBondContact OD2-NE 3.37Å; D187-R206 IonicContact OD2-NH2 3.61Å; D187-R206 PolarHBondContact OD2-NH2 2.87Å; Y204-R206 VanDerWaalsContact C-N 3.29Å; Y204-R206 PolarHBondContact O-N 3.22Å
207	I	97.8	Very high	93.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	105.1	175	-52.5	175.1	0	0	0	108.6	H53 Y56 Q58 W185 I186 N205 F222	H53-I207 HydrophobicContact CB-CD1 3.49Å; H53-I207 VanDerWaalsContact CB-CD1 3.49Å; H53-I207 HydrophobicContact CB-CG1 3.65Å; H53-I207 HydrophobicContact CB-CG2 4.34Å; Y56-I207 HydrophobicContact CD2-CD1 4.02Å; Y56-I207 HydrophobicContact CG-CD1 4.25Å; Q58-I207 HydrophobicContact CB-CG2 4.49Å; W185-I207 WeakPolarHBondContact CA-O 3.39Å; W185-I207 VanDerWaalsContact CB-O 3.29Å; W185-I207 WeakPolarHBondContact CB-O 3.19Å; I186-I207 HydrophobicContact CD1-CD1 4.14Å; I186-I207 HydrophobicContact CG1-CB 3.87Å; I186-I207 HydrophobicContact CG1-CD1 4.23Å; I186-I207 HydrophobicContact CG1-CG1 4.35Å; I186-I207 PolarHBondContact N-O 3.15Å; I186-I207 VanDerWaalsContact N-O 3.07Å; I186-I207 PolarHBondContact O-N 3.27Å; N205-I207 PolarHBondContact O-N 3.01Å; I207-F222 HydrophobicContact CB-CE1 4.24Å; I207-F222 HydrophobicContact CG2-CD1 4.13Å; I207-F222 HydrophobicContact CG2-CE1 3.61Å
208	Q	96.6	Very high	93.7	Very high	50 Å²	50	47.3 Å²	47.3	23%	0.234	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	140.8	-180	-169.9	75.4	25.9	0	0	110.6	Q58 E183 S184	Q58-Q208 PolarHBondContact NE2-O 3.15Å; E183-Q208 VanDerWaalsContact CA-NE2 3.35Å; S184-Q208 VanDerWaalsContact O-CD 3.29Å; S184-Q208 PolarHBondContact O-NE2 3.06Å
209	I	95.9	Very high	93.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-80.8	121.7	165.5	-51.9	-179.8	0	0	0	107.9	I60 L168 F170 S184 K211 I214 V220 F222	I60-I209 HydrophobicContact CD1-CG2 4.17Å; L168-I209 HydrophobicContact CD2-CD1 3.74Å; F170-I209 HydrophobicContact CZ-CD1 4.18Å; S184-I209 PolarHBondContact O-N 3.41Å; S184-I209 VanDerWaalsContact OG-CD1 3.23Å; S184-I209 WeakPolarHBondContact OG-CD1 3.47Å; I209-K211 PolarHBondContact O-N 2.86Å; I209-I214 HydrophobicContact CB-CD1 4.5Å; I209-I214 HydrophobicContact CB-CG1 4.43Å; I209-I214 HydrophobicContact CG2-CD1 4.44Å; I209-I214 HydrophobicContact CG2-CG1 3.85Å; I209-V220 HydrophobicContact CD1-CB 4.22Å; I209-V220 HydrophobicContact CD1-CG1 3.93Å; I209-V220 HydrophobicContact CD1-CG2 4.07Å; I209-V220 HydrophobicContact CG1-CG1 4.16Å; I209-V220 HydrophobicContact CG2-CG2 4Å; I209-F222 HydrophobicContact CD1-CZ 4.29Å; I209-F222 HydrophobicContact CG1-CZ 4.08Å
210	P	93.8	Very high	94.2	Very high	22 Å²	22	39.8 Å²	39.8	14%	0.143	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-63.9	134.2	-179.4	-16.2	27.5	0	0	0	111.2	R49 I60 N212 F213	R49-P210 VanDerWaalsContact CZ-CG 3.49Å; I60-P210 HydrophobicContact CD1-CG 4.43Å; P210-N212 VanDerWaalsContact C-N 3.27Å; P210-N212 VanDerWaalsContact CB-OD1 3.32Å; P210-N212 WeakPolarHBondContact CB-OD1 3.48Å; P210-N212 PolarHBondContact O-N 2.84Å; P210-N212 VanDerWaalsContact O-N 3.15Å; P210-F213 HydrophobicContact CB-CD2 4.04Å; P210-F213 HydrophobicContact CG-CD2 4.27Å; P210-F213 WeakPolarHBondContact O-CB 3.46Å; P210-F213 PolarHBondContact O-N 2.91Å
211	K	90.5	Very high	94.4	Very high	88 Å²	88	39.2 Å²	39.2	38%	0.383	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-54.6	-38.2	-172.4	177.8	176.4	171	174.9	0	113.7	V178 G179 E180 I209 F213 I214	V178-K211 WeakPolarHBondContact O-CE 3.44Å; G179-K211 PolarHBondContact O-NZ 3.28Å; E180-K211 WeakPolarHBondContact O-CE 3.28Å; E180-K211 PolarHBondContact O-NZ 3.02Å; I209-K211 PolarHBondContact O-N 2.86Å; K211-F213 PolarHBondContact O-N 3.22Å; K211-F213 VanDerWaalsContact O-N 3.15Å; K211-I214 PolarHBondContact O-N 3.37Å
212	N	89.9	Confident	94.6	Very high	90 Å²	90	36.1 Å²	36.1	48%	0.481	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-63.6	-18.1	179.2	60.1	-46.9	0	0	0	113.6	P210 K215	P210-N212 VanDerWaalsContact C-N 3.27Å; P210-N212 VanDerWaalsContact CB-OD1 3.32Å; P210-N212 WeakPolarHBondContact CB-OD1 3.48Å; P210-N212 PolarHBondContact O-N 2.84Å; P210-N212 VanDerWaalsContact O-N 3.15Å; N212-K215 VanDerWaalsContact O-CE 3.24Å; N212-K215 WeakPolarHBondContact O-CE 3.31Å; N212-K215 PolarHBondContact O-NZ 2.66Å
213	F	92.2	Very high	94.8	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.009	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-95.8	-5.5	175.6	-73.3	-89.3	0	0	0	114.2	E44 R49 I60 F62 P210 K211 K215 T218	E44-F213 HydrophobicContact CG-CZ 4.14Å; R49-F213 HydrophobicContact CB-CE1 4.07Å; R49-F213 HydrophobicContact CB-CE2 4.16Å; R49-F213 HydrophobicContact CB-CZ 3.76Å; I60-F213 HydrophobicContact CB-CD1 4.13Å; I60-F213 HydrophobicContact CD1-CB 4.08Å; I60-F213 HydrophobicContact CD1-CG 4.15Å; I60-F213 HydrophobicContact CG2-CB 3.92Å; I60-F213 HydrophobicContact CG2-CD1 3.6Å; I60-F213 HydrophobicContact CG2-CE1 4.48Å; I60-F213 HydrophobicContact CG2-CG 4.04Å; F62-F213 HydrophobicContact CD1-CD1 4.33Å; F62-F213 HydrophobicContact CE1-CB 4.04Å; F62-F213 AromaticContact CE1-CD1 3.41Å; F62-F213 HydrophobicContact CE1-CD1 3.41Å; F62-F213 VanDerWaalsContact CE1-CD1 3.41Å; F62-F213 HydrophobicContact CE1-CE1 4.25Å; F62-F213 HydrophobicContact CE1-CG 4.1Å; F62-F213 HydrophobicContact CZ-CB 4.31Å; F62-F213 AromaticContact CZ-CD1 3.5Å; F62-F213 HydrophobicContact CZ-CD1 3.5Å; F62-F213 VanDerWaalsContact CZ-CD1 3.5Å; F62-F213 HydrophobicContact CZ-CE1 4.08Å; F62-F213 HydrophobicContact CZ-CG 4.11Å; P210-F213 HydrophobicContact CB-CD2 4.04Å; P210-F213 HydrophobicContact CG-CD2 4.27Å; P210-F213 WeakPolarHBondContact O-CB 3.46Å; P210-F213 PolarHBondContact O-N 2.91Å; K211-F213 PolarHBondContact O-N 3.22Å; K211-F213 VanDerWaalsContact O-N 3.15Å; F213-K215 PolarHBondContact O-N 2.8Å; F213-K215 VanDerWaalsContact O-N 3.11Å; F213-T218 WeakPolarHBondContact O-CG2 3.32Å; F213-T218 PolarHBondContact O-OG1 3.28Å
214	I	90.9	Very high	95	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.015	17%	0.173	C	C	.	.			trans	-85.2	90	177.6	-55.8	173.9	0	0	0	109.7	F121 F170 I173 L182 I209 K211	F121-I214 HydrophobicContact CE1-CD1 4.25Å; F121-I214 HydrophobicContact CE1-CG2 3.41Å; F121-I214 VanDerWaalsContact CE1-CG2 3.41Å; F121-I214 HydrophobicContact CZ-CG2 3.6Å; F170-I214 HydrophobicContact CD2-CG2 4.23Å; F170-I214 HydrophobicContact CE2-CB 4.3Å; F170-I214 HydrophobicContact CE2-CG1 4.3Å; F170-I214 HydrophobicContact CE2-CG2 3.92Å; F170-I214 HydrophobicContact CZ-CG2 4.19Å; I173-I214 HydrophobicContact CG1-CG2 4.44Å; L182-I214 HydrophobicContact CD2-CB 4.13Å; L182-I214 HydrophobicContact CD2-CD1 3.95Å; L182-I214 HydrophobicContact CD2-CG2 3.43Å; L182-I214 VanDerWaalsContact CD2-CG2 3.43Å; L182-I214 HydrophobicContact CG-CD1 4.17Å; I209-I214 HydrophobicContact CB-CD1 4.5Å; I209-I214 HydrophobicContact CB-CG1 4.43Å; I209-I214 HydrophobicContact CG2-CD1 4.44Å; I209-I214 HydrophobicContact CG2-CG1 3.85Å; K211-I214 PolarHBondContact O-N 3.37Å
215	K	89.6	Confident	95	Very high	93 Å²	93	35.7 Å²	35.7	40%	0.404	17%	0.172	S	C	.	.			trans	-144.1	161	-179.5	-62.7	178.4	-176.7	166.1	0	110.8	F62 F170 N212 F213 T218	F62-K215 HydrophobicContact CZ-CD 4.46Å; F170-K215 WeakPolarHBondContact CB-O 3.3Å; N212-K215 VanDerWaalsContact O-CE 3.24Å; N212-K215 WeakPolarHBondContact O-CE 3.31Å; N212-K215 PolarHBondContact O-NZ 2.66Å; F213-K215 PolarHBondContact O-N 2.8Å; F213-K215 VanDerWaalsContact O-N 3.11Å; K215-T218 VanDerWaalsContact O-CB 3.28Å; K215-T218 WeakPolarHBondContact O-CB 3.44Å; K215-T218 PolarHBondContact O-N 2.72Å; K215-T218 PolarHBondContact O-OG1 3.45Å
216	G	91.7	Very high	94.9	Very high	33 Å²	33	39.3 Å²	39.3	34%	0.34	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	149.3	173.1	0	0	0	0	0	112.3	F170 T218	F170-G216 CarbonylContact O-C 3.5Å; G216-T218 PolarHBondContact O-N 3.41Å
217	R	95	Very high	94.6	Very high	125 Å²	125	40.5 Å²	40.5	47%	0.472	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	27	-176	-53.5	173.6	58.2	111.9	6.9	115	F62 D63 Q64 F170 S171	F62-R217 CarbonylContact C-O 3.53Å; D63-R217 PolarHBondContact N-O 3.17Å; Q64-R217 PolarHBondContact N-O 2.71Å; F170-R217 VanDerWaalsContact O-CA 3.3Å; F170-R217 WeakPolarHBondContact O-CA 3.26Å; F170-R217 PolarHBondContact O-N 3.02Å; S171-R217 PolarHBondContact O-N 2.93Å
218	T	95.7	Very high	94.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.4	174.6	-54.2	0	0	0	0	110.4	I60 R61 F62 Y169 F170 F213 K215 G216 V220	I60-T218 HydrophobicContact CG2-CG2 3.53Å; R61-T218 WeakPolarHBondContact O-CA 3.5Å; F62-T218 HydrophobicContact CD1-CG2 3.76Å; F62-T218 VanDerWaalsContact CD1-OG1 3.23Å; F62-T218 WeakPolarHBondContact CD1-OG1 3.16Å; F62-T218 HydrophobicContact CE1-CG2 3.95Å; F62-T218 WeakPolarHBondContact CE1-OG1 3.4Å; Y169-T218 WeakPolarHBondContact CA-O 3.12Å; Y169-T218 WeakPolarHBondContact CD2-O 3.5Å; F170-T218 HydrophobicContact CD2-CG2 4.29Å; F170-T218 HydrophobicContact CE2-CG2 4.46Å; F170-T218 PolarHBondContact N-O 3.11Å; F213-T218 WeakPolarHBondContact O-CG2 3.32Å; F213-T218 PolarHBondContact O-OG1 3.28Å; K215-T218 VanDerWaalsContact O-CB 3.28Å; K215-T218 WeakPolarHBondContact O-CB 3.44Å; K215-T218 PolarHBondContact O-N 2.72Å; K215-T218 PolarHBondContact O-OG1 3.45Å; G216-T218 PolarHBondContact O-N 3.41Å; T218-V220 HydrophobicContact CG2-CG2 4.17Å
219	L	97.7	Very high	94.4	Very high	18 Å²	18	38.1 Å²	38.1	9%	0.094	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.7	168.3	-177.8	63.7	0	0	0	109	I60 R61 Q64 Y169 E221	I60-L219 WeakPolarHBondContact CA-O 3.23Å; R61-L219 PolarHBondContact N-O 2.64Å; R61-L219 PolarHBondContact O-N 3.24Å; Q64-L219 HydrophobicContact CB-CB 3.87Å; Q64-L219 HydrophobicContact CG-CB 3.69Å; Q64-L219 HydrophobicContact CG-CD2 4.41Å; Y169-L219 HydrophobicContact CD2-CB 4.31Å; Y169-L219 HydrophobicContact CD2-CD1 4.39Å; L219-E221 HydrophobicContact CD1-CG 4.41Å; L219-E221 HydrophobicContact CD2-CG 4.21Å; L219-E221 HydrophobicContact CG-CG 4.02Å
220	V	98.3	Very high	94.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.8	170.1	-179.3	0	0	0	0	108	Q58 T59 I60 S167 L168 F170 I209 T218 F222	Q58-V220 HydrophobicContact CG-CG1 4.17Å; T59-V220 CarbonylContact O-C 3.56Å; T59-V220 WeakPolarHBondContact O-CA 3.44Å; I60-V220 HydrophobicContact CB-CG2 4.48Å; I60-V220 HydrophobicContact CD1-CG2 4.5Å; I60-V220 HydrophobicContact CG1-CG1 4.17Å; I60-V220 HydrophobicContact CG1-CG2 4.11Å; I60-V220 HydrophobicContact CG2-CG2 3.9Å; S167-V220 CarbonylContact C-O 3.57Å; S167-V220 WeakPolarHBondContact CA-O 3.4Å; L168-V220 HydrophobicContact CB-CB 4.4Å; L168-V220 PolarHBondContact N-O 2.86Å; L168-V220 PolarHBondContact O-N 3.25Å; F170-V220 HydrophobicContact CE2-CG2 4.17Å; F170-V220 HydrophobicContact CZ-CG2 4.46Å; I209-V220 HydrophobicContact CD1-CB 4.22Å; I209-V220 HydrophobicContact CD1-CG1 3.93Å; I209-V220 HydrophobicContact CD1-CG2 4.07Å; I209-V220 HydrophobicContact CG1-CG1 4.16Å; I209-V220 HydrophobicContact CG2-CG2 4Å; T218-V220 HydrophobicContact CG2-CG2 4.17Å; V220-F222 HydrophobicContact CG1-CE1 4.44Å; V220-F222 HydrophobicContact CG1-CE2 3.82Å; V220-F222 HydrophobicContact CG1-CZ 3.79Å
221	E	98.4	Very high	94.3	Very high	19 Å²	19	40.5 Å²	40.5	9%	0.089	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138	178.1	-67	165.3	128.5	0	0	110.1	Q58 T59 R61 K165 M166 L219	Q58-E221 CarbonylContact C-O 3.44Å; Q58-E221 VanDerWaalsContact CA-O 3.28Å; Q58-E221 WeakPolarHBondContact CA-O 3.44Å; T59-E221 PolarHBondContact N-O 2.97Å; T59-E221 PolarHBondContact O-N 2.86Å; R61-E221 IonicContact CZ-OE2 3.4Å; R61-E221 IonicContact NE-OE2 3.81Å; R61-E221 IonicContact NH2-OE1 2.73Å; R61-E221 PolarHBondContact NH2-OE1 2.98Å; R61-E221 VanDerWaalsContact NH2-OE1 3.11Å; R61-E221 IonicContact NH2-OE2 3.52Å; R61-E221 PolarHBondContact NH2-OE2 3.01Å; K165-E221 VanDerWaalsContact CE-CD 3.49Å; K165-E221 WeakPolarHBondContact CE-OE1 3.39Å; K165-E221 IonicContact NZ-OE1 2.62Å; K165-E221 PolarHBondContact NZ-OE1 2.83Å; K165-E221 IonicContact NZ-OE2 2.72Å; M166-E221 CarbonylContact O-C 3.59Å; M166-E221 VanDerWaalsContact O-CA 3.28Å; M166-E221 WeakPolarHBondContact O-CA 3.24Å; L219-E221 HydrophobicContact CD1-CG 4.41Å; L219-E221 HydrophobicContact CD2-CG 4.21Å; L219-E221 HydrophobicContact CG-CG 4.02Å
222	F	98.7	Very high	94.5	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.6	170.6	-54.5	-85.1	0	0	0	107.9	Y56 F57 Q58 K165 M166 I186 I207 I209 V220	Y56-F222 HydrophobicContact CD1-CB 3.79Å; Y56-F222 HydrophobicContact CE1-CB 4.4Å; Y56-F222 HydrophobicContact CG-CB 4.29Å; F57-F222 CarbonylContact O-C 3.59Å; F57-F222 WeakPolarHBondContact O-CA 3.3Å; Q58-F222 HydrophobicContact CB-CD1 4.24Å; Q58-F222 HydrophobicContact CB-CE1 4.35Å; Q58-F222 HydrophobicContact CG-CD1 4.13Å; Q58-F222 HydrophobicContact CG-CE1 3.87Å; Q58-F222 VanDerWaalsContact NE2-CE1 3.29Å; K165-F222 CarbonylContact C-O 3.52Å; K165-F222 WeakPolarHBondContact CA-O 3.39Å; M166-F222 HydrophobicContact CB-CB 4.37Å; M166-F222 HydrophobicContact CB-CD2 4.38Å; M166-F222 HydrophobicContact CE-CB 3.89Å; M166-F222 HydrophobicContact CE-CG 4.46Å; M166-F222 PolarHBondContact N-O 3.18Å; M166-F222 PolarHBondContact O-N 2.88Å; I186-F222 HydrophobicContact CD1-CB 4.05Å; I186-F222 HydrophobicContact CD1-CD1 3.57Å; I186-F222 HydrophobicContact CD1-CD2 4.16Å; I186-F222 HydrophobicContact CD1-CE1 3.97Å; I186-F222 HydrophobicContact CD1-CG 3.66Å; I186-F222 HydrophobicContact CD1-CZ 4.43Å; I186-F222 HydrophobicContact CG1-CD1 4.16Å; I186-F222 HydrophobicContact CG1-CE1 4.05Å; I186-F222 HydrophobicContact CG1-CZ 4.35Å; I186-F222 HydrophobicContact CG2-CD2 4.47Å; I186-F222 HydrophobicContact CG2-CE2 4.1Å; I186-F222 HydrophobicContact CG2-CZ 4.23Å; I207-F222 HydrophobicContact CB-CE1 4.24Å; I207-F222 HydrophobicContact CG2-CD1 4.13Å; I207-F222 HydrophobicContact CG2-CE1 3.61Å; I209-F222 HydrophobicContact CD1-CZ 4.29Å; I209-F222 HydrophobicContact CG1-CZ 4.08Å; V220-F222 HydrophobicContact CG1-CE1 4.44Å; V220-F222 HydrophobicContact CG1-CE2 3.82Å; V220-F222 HydrophobicContact CG1-CZ 3.79Å
223	E	98.2	Very high	94.7	Very high	92 Å²	92	39.4 Å²	39.4	43%	0.43	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.4	179.5	-175.5	166.3	-176.9	0	0	109.8	Y56 F57 N225	Y56-E223 CarbonylContact C-O 3.55Å; Y56-E223 VanDerWaalsContact CA-O 3.25Å; Y56-E223 WeakPolarHBondContact CA-O 3.26Å; Y56-E223 VanDerWaalsContact CD1-C 3.49Å; F57-E223 PolarHBondContact N-O 3.2Å; F57-E223 PolarHBondContact O-N 3.25Å; E223-N225 PolarHBondContact O-N 2.87Å
224	P	97.7	Very high	94.9	Very high	32 Å²	32	41.1 Å²	41.1	21%	0.208	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	129.2	178.7	-26.3	33.4	0	0	0	111.8	Y56 G164 T226	Y56-P224 HydrophobicContact CD1-CG 4.37Å; Y56-P224 HydrophobicContact CE1-CB 4.32Å; Y56-P224 HydrophobicContact CE1-CG 3.83Å; G164-P224 WeakPolarHBondContact O-CG 3.46Å; P224-T226 PolarHBondContact O-N 3.34Å
225	N	95.7	Very high	95.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.			trans	-83.1	99.7	178.2	-174.7	-13.9	0	0	0	110	D52 Y54 E55 F57 E223 E227 S228 M231	D52-N225 PolarHBondContact OD1-ND2 2.86Å; D52-N225 VanDerWaalsContact OD1-ND2 3.13Å; Y54-N225 VanDerWaalsContact O-CB 3.23Å; Y54-N225 WeakPolarHBondContact O-CB 3.46Å; Y54-N225 PolarHBondContact O-ND2 2.88Å; E55-N225 PolarHBondContact O-N 3.42Å; F57-N225 HydrophobicContact CD2-CB 4.05Å; F57-N225 HydrophobicContact CE2-CB 3.81Å; F57-N225 VanDerWaalsContact CE2-CG 3.4Å; F57-N225 WeakPolarHBondContact CE2-OD1 3.42Å; F57-N225 HydrophobicContact CZ-CB 4.37Å; F57-N225 WeakPolarHBondContact CZ-ND2 3.11Å; E223-N225 PolarHBondContact O-N 2.87Å; N225-E227 PolarHBondContact O-N 3.38Å; N225-E227 PolarHBondContact OD1-N 2.81Å; N225-S228 VanDerWaalsContact CG-OG 3.3Å; N225-S228 PolarHBondContact ND2-OG 2.57Å; N225-S228 VanDerWaalsContact ND2-OG 3.13Å; N225-S228 PolarHBondContact OD1-N 3.14Å; N225-M231 WeakPolarHBondContact O-CG 3.36Å
226	T	92.1	Very high	95.5	Very high	77 Å²	77	47.8 Å²	47.8	47%	0.472	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-6.5	179.3	59.3	0	0	0	0	113.9	P224 K232	P224-T226 PolarHBondContact O-N 3.34Å; T226-K232 PolarHBondContact O-NZ 2.76Å
227	E	91.4	Very high	95.7	Very high	102 Å²	102	48.9 Å²	48.9	48%	0.477	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-7.1	-176.8	-59.6	-45.4	124.8	0	0	114.4	N225 K232	N225-E227 PolarHBondContact O-N 3.38Å; N225-E227 PolarHBondContact OD1-N 2.81Å; E227-K232 WeakPolarHBondContact O-CE 3.4Å; E227-K232 IonicContact OE1-NZ 2.76Å; E227-K232 IonicContact OE2-NZ 2.84Å; E227-K232 PolarHBondContact OE2-NZ 2.92Å
228	S	93.6	Very high	95.7	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.007	23%	0.228	C	C	.	.	S	Bend	trans	-78.8	157.1	179.3	-72.5	0	0	0	0	113.4	Y54 N225 F230 M231	Y54-S228 WeakPolarHBondContact CD2-OG 3.14Å; Y54-S228 WeakPolarHBondContact O-CB 3.47Å; Y54-S228 PolarHBondContact O-OG 3.03Å; N225-S228 VanDerWaalsContact CG-OG 3.3Å; N225-S228 PolarHBondContact ND2-OG 2.57Å; N225-S228 VanDerWaalsContact ND2-OG 3.13Å; N225-S228 PolarHBondContact OD1-N 3.14Å; S228-F230 VanDerWaalsContact C-N 3.32Å; S228-F230 VanDerWaalsContact CB-CE1 3.49Å; S228-F230 PolarHBondContact O-N 3.19Å; S228-M231 PolarHBondContact O-N 2.82Å
229	C	95.3	Very high	95.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-51.7	-48.4	-174	-47.3	0	0	0	0	112.3	Y54 M231 K232 C248 C257 N259	Y54-C229 WeakPolarHBondContact OH-CB 3.35Å; C229-M231 PolarHBondContact O-N 2.96Å; C229-K232 PolarHBondContact O-N 2.84Å; C229-C248 VanDerWaalsContact CA-SG 3.56Å; C229-C248 HydrophobicContact CB-CB 3.7Å; C229-C248 WeakPolarHBondContact CB-SG 3.37Å; C229-C248 WeakPolarHBondContact SG-CA 3.4Å; C229-C248 WeakPolarHBondContact SG-CB 3.45Å; C229-C248 CovalentContact SG-SG 2.02Å; C229-C248 PolarHBondContact SG-SG 2.79Å; C229-C257 WeakPolarHBondContact O-CB 3.29Å; C229-C257 PolarHBondContact O-SG 3.22Å; C229-N259 HydrophobicContact CB-CB 4.48Å
230	F	93	Very high	95.6	Very high	11 Å²	11	51 Å²	51	5%	0.048	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-61.5	-13.6	-177.1	79.4	-79.6	0	0	0	114.6	Y54 E55 S228 D262 H264	Y54-F230 AromaticContact CE1-CD1 3.75Å; Y54-F230 HydrophobicContact CE1-CD1 3.75Å; Y54-F230 HydrophobicContact CE1-CE1 4.29Å; Y54-F230 AromaticContact CZ-CD1 3.88Å; E55-F230 HydrophobicContact CB-CE1 4.12Å; E55-F230 HydrophobicContact CB-CZ 3.9Å; E55-F230 HydrophobicContact CG-CD1 4.31Å; E55-F230 HydrophobicContact CG-CE1 3.68Å; E55-F230 HydrophobicContact CG-CE2 4.25Å; E55-F230 HydrophobicContact CG-CZ 3.65Å; S228-F230 VanDerWaalsContact C-N 3.32Å; S228-F230 VanDerWaalsContact CB-CE1 3.49Å; S228-F230 PolarHBondContact O-N 3.19Å; F230-D262 HydrophobicContact CB-CB 4.31Å; F230-H264 PolarHBondContact O-CE1 2.84Å
231	M	94	Very high	95.4	Very high	62 Å²	62	51.6 Å²	51.6	31%	0.305	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-93.7	-8.6	177.2	-67.5	-62.1	-70.8	0	0	113.5	N225 S228 C229	N225-M231 WeakPolarHBondContact O-CG 3.36Å; S228-M231 PolarHBondContact O-N 2.82Å; C229-M231 PolarHBondContact O-N 2.96Å
232	K	95.2	Very high	95.1	Very high	32 Å²	32	53 Å²	53	14%	0.139	30%	0.295	C	S	.	.			trans	-86.3	134.1	-176.3	-53.5	-51.8	-173.3	-171.6	0	111.2	T226 E227 C229 T237 C238 A241 C257	T226-K232 PolarHBondContact O-NZ 2.76Å; E227-K232 WeakPolarHBondContact O-CE 3.4Å; E227-K232 IonicContact OE1-NZ 2.76Å; E227-K232 IonicContact OE2-NZ 2.84Å; E227-K232 PolarHBondContact OE2-NZ 2.92Å; C229-K232 PolarHBondContact O-N 2.84Å; K232-T237 WeakPolarHBondContact CG-O 3.4Å; K232-C238 HydrophobicContact CB-CB 4.23Å; K232-A241 HydrophobicContact CD-CB 4.23Å; K232-A241 HydrophobicContact CG-CB 3.76Å; K232-C257 HydrophobicContact CB-CB 3.98Å; K232-C257 WeakPolarHBondContact O-CB 3.47Å
233	V	94.6	Very high	94.7	Very high	124 Å²	124	56.1 Å²	56.1	75%	0.752	31%	0.309	S	S	*	.			trans	-112.2	7	-169.7	-60.7	0	0	0	0	113.6
234	S	95.8	Very high	94	Very high	38 Å²	38	60.7 Å²	60.7	27%	0.266	34%	0.335	S	S	.	.	S	Bend	trans	-142.7	156.1	172.7	73	0	0	0	0	110.8	E236 T237 C238	S234-E236 VanDerWaalsContact C-N 3.29Å; S234-E236 PolarHBondContact O-N 3.38Å; S234-T237 PolarHBondContact N-OG1 2.92Å; S234-T237 PolarHBondContact O-N 2.81Å; S234-T237 PolarHBondContact O-OG1 2.83Å; S234-T237 VanDerWaalsContact O-OG1 3.1Å; S234-T237 WeakPolarHBondContact OG-CG2 3.37Å; S234-T237 PolarHBondContact OG-N 3.06Å; S234-T237 PolarHBondContact OG-OG1 3.17Å; S234-C238 WeakPolarHBondContact O-CB 3.49Å; S234-C238 PolarHBondContact O-N 2.82Å
235	N	96	Very high	93.3	Very high	74 Å²	74	63.5 Å²	63.5	40%	0.396	35%	0.349	S	S	.	.	H	α-helix	trans	-54.5	-46	176.6	-175.4	22.9	0	0	0	112.1	C238 L239 W250	N235-C238 WeakPolarHBondContact O-CB 3.37Å; N235-C238 PolarHBondContact O-N 3.29Å; N235-L239 WeakPolarHBondContact O-CG 3.47Å; N235-L239 PolarHBondContact O-N 2.84Å; N235-L239 WeakPolarHBondContact OD1-CD1 3.32Å; N235-W250 VanDerWaalsContact CA-CD2 3.5Å; N235-W250 HydrophobicContact CB-CB 4.19Å; N235-W250 HydrophobicContact CB-CD2 3.87Å; N235-W250 HydrophobicContact CB-CG 3.65Å; N235-W250 WeakPolarHBondContact OD1-CB 3.45Å
236	E	96.4	Very high	92.9	Very high	162 Å²	162	64.3 Å²	64.3	76%	0.757	35%	0.353	S	S	*	.	H	α-helix	trans	-62.4	-48.4	-179	-65.6	164.1	-173.3	0	0	112.1	S234 C238 L239 S240	S234-E236 VanDerWaalsContact C-N 3.29Å; S234-E236 PolarHBondContact O-N 3.38Å; E236-C238 VanDerWaalsContact C-N 3.28Å; E236-C238 PolarHBondContact O-N 3.2Å; E236-L239 PolarHBondContact O-N 3.47Å; E236-S240 PolarHBondContact O-N 2.82Å; E236-S240 VanDerWaalsContact O-N 3.14Å; E236-S240 PolarHBondContact O-OG 2.86Å
237	T	96.5	Very high	92.9	Very high	55 Å²	55	66.7 Å²	66.7	34%	0.337	36%	0.358	S	S	.	.	H	α-helix	trans	-69.6	-28.4	178.7	58.4	0	0	0	0	112.3	K232 S234 S240 A241	K232-T237 WeakPolarHBondContact CG-O 3.4Å; S234-T237 PolarHBondContact N-OG1 2.92Å; S234-T237 PolarHBondContact O-N 2.81Å; S234-T237 PolarHBondContact O-OG1 2.83Å; S234-T237 VanDerWaalsContact O-OG1 3.1Å; S234-T237 WeakPolarHBondContact OG-CG2 3.37Å; S234-T237 PolarHBondContact OG-N 3.06Å; S234-T237 PolarHBondContact OG-OG1 3.17Å; T237-S240 WeakPolarHBondContact CA-OG 3.35Å; T237-S240 PolarHBondContact O-OG 2.91Å; T237-A241 WeakPolarHBondContact O-CB 3.39Å; T237-A241 PolarHBondContact O-N 3.11Å
238	C	96.3	Very high	93	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.4	-53.8	174.2	-179.7	0	0	0	0	111.5	K232 S234 N235 E236 S240 A241 C248 H249 W250 C257	K232-C238 HydrophobicContact CB-CB 4.23Å; S234-C238 WeakPolarHBondContact O-CB 3.49Å; S234-C238 PolarHBondContact O-N 2.82Å; N235-C238 WeakPolarHBondContact O-CB 3.37Å; N235-C238 PolarHBondContact O-N 3.29Å; E236-C238 VanDerWaalsContact C-N 3.28Å; E236-C238 PolarHBondContact O-N 3.2Å; C238-S240 VanDerWaalsContact C-N 3.32Å; C238-S240 PolarHBondContact O-N 2.73Å; C238-A241 WeakPolarHBondContact O-CB 3.31Å; C238-A241 PolarHBondContact O-N 2.88Å; C238-C248 WeakPolarHBondContact O-CB 3.43Å; C238-H249 PolarHBondContact SG-O 2.85Å; C238-H249 VanDerWaalsContact SG-O 3.32Å; C238-W250 HydrophobicContact CB-CB 4.46Å; C238-W250 HydrophobicContact CB-CE3 3.76Å; C238-W250 HydrophobicContact CB-CZ3 4.48Å; C238-C257 WeakPolarHBondContact CA-SG 3.37Å; C238-C257 HydrophobicContact CB-CB 3.5Å; C238-C257 VanDerWaalsContact CB-CB 3.5Å; C238-C257 WeakPolarHBondContact CB-SG 3.39Å; C238-C257 VanDerWaalsContact SG-CA 3.6Å; C238-C257 WeakPolarHBondContact SG-CB 3.37Å; C238-C257 CovalentContact SG-SG 2.02Å; C238-C257 PolarHBondContact SG-SG 2.71Å
239	L	94.9	Very high	93.1	Very high	91 Å²	91	63.2 Å²	63.2	48%	0.476	34%	0.342	S	S	.	.	H	α-helix	trans	-65	-37.8	-177.2	-64.1	177	0	0	0	111.6	N235 E236 A241 S242	N235-L239 WeakPolarHBondContact O-CG 3.47Å; N235-L239 PolarHBondContact O-N 2.84Å; N235-L239 WeakPolarHBondContact OD1-CD1 3.32Å; E236-L239 PolarHBondContact O-N 3.47Å; L239-A241 VanDerWaalsContact C-N 3.26Å; L239-A241 PolarHBondContact O-N 2.71Å; L239-S242 WeakPolarHBondContact O-CB 3.36Å; L239-S242 PolarHBondContact O-N 3.12Å; L239-S242 PolarHBondContact O-OG 3.48Å
240	S	94.9	Very high	93.1	Very high	96 Å²	96	65 Å²	65	67%	0.671	35%	0.348	S	S	*	.	H	α-helix	trans	-69.8	-20	177.5	68.9	0	0	0	0	114.2	E236 T237 C238 S242	E236-S240 PolarHBondContact O-N 2.82Å; E236-S240 VanDerWaalsContact O-N 3.14Å; E236-S240 PolarHBondContact O-OG 2.86Å; T237-S240 WeakPolarHBondContact CA-OG 3.35Å; T237-S240 PolarHBondContact O-OG 2.91Å; C238-S240 VanDerWaalsContact C-N 3.32Å; C238-S240 PolarHBondContact O-N 2.73Å; S240-S242 PolarHBondContact O-N 2.84Å
241	A	94.4	Very high	93.3	Very high	14 Å²	14	64.4 Å²	64.4	12%	0.116	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-8.9	175.8	0	0	0	0	0	113.7	K232 T237 C238 L239 K243	K232-A241 HydrophobicContact CD-CB 4.23Å; K232-A241 HydrophobicContact CG-CB 3.76Å; T237-A241 WeakPolarHBondContact O-CB 3.39Å; T237-A241 PolarHBondContact O-N 3.11Å; C238-A241 WeakPolarHBondContact O-CB 3.31Å; C238-A241 PolarHBondContact O-N 2.88Å; L239-A241 VanDerWaalsContact C-N 3.26Å; L239-A241 PolarHBondContact O-N 2.71Å; A241-K243 PolarHBondContact O-N 3.36Å
242	S	93.4	Very high	93.3	Very high	47 Å²	47	66.2 Å²	66.2	33%	0.329	37%	0.365	S	S	.	.			trans	-60	133	178.6	-59.3	0	0	0	0	111.2	L239 S240 M246 C248	L239-S242 WeakPolarHBondContact O-CB 3.36Å; L239-S242 PolarHBondContact O-N 3.12Å; L239-S242 PolarHBondContact O-OG 3.48Å; S240-S242 PolarHBondContact O-N 2.84Å; S242-M246 CarbonylContact C-O 3.32Å; S242-M246 WeakPolarHBondContact CA-O 3.33Å; S242-C248 PolarHBondContact OG-N 2.95Å
243	K	88.4	Confident	93.2	Very high	69 Å²	69	69.4 Å²	69.4	30%	0.3	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-112.8	164.9	174.7	-58	172.5	-175	168.6	0	109.4	D52 A241 D245 M246	D52-K243 IonicContact OD2-NZ 3.99Å; D52-K243 PolarHBondContact OD2-NZ 2.69Å; A241-K243 PolarHBondContact O-N 3.36Å; K243-D245 PolarHBondContact O-N 2.82Å; K243-D245 VanDerWaalsContact O-N 3.11Å; K243-M246 HydrophobicContact CB-CB 4.28Å; K243-M246 PolarHBondContact N-O 2.73Å; K243-M246 CarbonylContact O-C 3.47Å; K243-M246 VanDerWaalsContact O-C 3.32Å; K243-M246 PolarHBondContact O-N 2.82Å
244	L	83.8	Confident	93.1	Very high	188 Å²	188	64.8 Å²	64.8	98%	0.984	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-34.7	-177.9	-175.9	65.9	0	0	0	113.4
245	D	83.6	Confident	93.1	Very high	91 Å²	91	68.7 Å²	68.7	49%	0.487	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	4.6	-178.9	54.9	-23.1	0	0	0	113.6	K243	K243-D245 PolarHBondContact O-N 2.82Å; K243-D245 VanDerWaalsContact O-N 3.11Å
246	M	87.1	Confident	93.1	Very high	17 Å²	17	66.1 Å²	66.1	8%	0.084	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-156.2	92	-171.2	-173.8	174.9	-79.9	0	0	111.6	Y38 Y54 S242 K243 N259	Y38-M246 HydrophobicContact CD1-CE 4.34Å; Y38-M246 HydrophobicContact CD2-CE 3.64Å; Y38-M246 HydrophobicContact CE1-CE 4.22Å; Y38-M246 HydrophobicContact CE2-CE 3.51Å; Y38-M246 HydrophobicContact CG-CE 4.05Å; Y54-M246 HydrophobicContact CD2-CE 3.15Å; Y54-M246 HydrophobicContact CD2-SD 3.1Å; Y54-M246 WeakPolarHBondContact CD2-SD 3.27Å; Y54-M246 HydrophobicContact CE2-CE 3.65Å; Y54-M246 HydrophobicContact CE2-CG 4.22Å; Y54-M246 HydrophobicContact CE2-SD 3.09Å; Y54-M246 WeakPolarHBondContact CE2-SD 3.5Å; Y54-M246 HydrophobicContact CG-CE 3.83Å; Y54-M246 HydrophobicContact CG-SD 4.29Å; S242-M246 CarbonylContact C-O 3.32Å; S242-M246 WeakPolarHBondContact CA-O 3.33Å; K243-M246 HydrophobicContact CB-CB 4.28Å; K243-M246 PolarHBondContact N-O 2.73Å; K243-M246 CarbonylContact O-C 3.47Å; K243-M246 VanDerWaalsContact O-C 3.32Å; K243-M246 PolarHBondContact O-N 2.82Å; M246-N259 HydrophobicContact CG-CB 4.2Å
247	E	91.7	Very high	93	Very high	126 Å²	126	58.4 Å²	58.4	59%	0.589	33%	0.33	S	S	*	.			trans	-80.1	127.5	176.8	-163.7	174.5	173.9	0	0	110.4	H249	E247-H249 VanDerWaalsContact CD-CE1 3.41Å; E247-H249 IonicContact OE1-CE1 3.38Å; E247-H249 PolarHBondContact OE1-CE1 3.04Å; E247-H249 VanDerWaalsContact OE1-CE1 3.31Å; E247-H249 IonicContact OE2-CE1 3.31Å
248	C	94.9	Very high	93	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.007	31%	0.314	C	S	.	.			trans	-95.4	139.4	174.5	-58.3	0	0	0	0	109.7	C229 C238 S242	C229-C248 VanDerWaalsContact CA-SG 3.56Å; C229-C248 HydrophobicContact CB-CB 3.7Å; C229-C248 WeakPolarHBondContact CB-SG 3.37Å; C229-C248 WeakPolarHBondContact SG-CA 3.4Å; C229-C248 WeakPolarHBondContact SG-CB 3.45Å; C229-C248 CovalentContact SG-SG 2.02Å; C229-C248 PolarHBondContact SG-SG 2.79Å; C238-C248 WeakPolarHBondContact O-CB 3.43Å; S242-C248 PolarHBondContact OG-N 2.95Å
249	H	95.2	Very high	92.7	Very high	30 Å²	30	57.1 Å²	57.1	14%	0.139	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.7	176.1	-58.9	-68.8	0	0	0	110.5	C238 E247 C257 S258 W268	C238-H249 PolarHBondContact SG-O 2.85Å; C238-H249 VanDerWaalsContact SG-O 3.32Å; E247-H249 VanDerWaalsContact CD-CE1 3.41Å; E247-H249 IonicContact OE1-CE1 3.38Å; E247-H249 PolarHBondContact OE1-CE1 3.04Å; E247-H249 VanDerWaalsContact OE1-CE1 3.31Å; E247-H249 IonicContact OE2-CE1 3.31Å; H249-C257 WeakPolarHBondContact O-CA 3.47Å; H249-S258 PolarHBondContact N-O 2.79Å; H249-S258 PolarHBondContact O-N 2.86Å; H249-W268 HydrophobicContact CB-CH2 3.4Å; H249-W268 VanDerWaalsContact CB-CH2 3.4Å; H249-W268 HydrophobicContact CB-CZ2 3.82Å; H249-W268 HydrophobicContact CB-CZ3 4.41Å; H249-W268 VanDerWaalsContact O-CH2 3.29Å; H249-W268 WeakPolarHBondContact O-CH2 3.48Å; H249-W268 VanDerWaalsContact O-CZ3 3.24Å; H249-W268 WeakPolarHBondContact O-CZ3 3.41Å
250	W	96	Very high	92.3	Very high	36 Å²	36	53.4 Å²	53.4	14%	0.136	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	134.8	173.6	-174.9	-105.6	0	0	0	110.8	N235 C238 D255 C257	N235-W250 VanDerWaalsContact CA-CD2 3.5Å; N235-W250 HydrophobicContact CB-CB 4.19Å; N235-W250 HydrophobicContact CB-CD2 3.87Å; N235-W250 HydrophobicContact CB-CG 3.65Å; N235-W250 WeakPolarHBondContact OD1-CB 3.45Å; C238-W250 HydrophobicContact CB-CB 4.46Å; C238-W250 HydrophobicContact CB-CE3 3.76Å; C238-W250 HydrophobicContact CB-CZ3 4.48Å; W250-D255 WeakPolarHBondContact CZ2-OD1 3.21Å; W250-C257 HydrophobicContact CE3-CB 3.9Å; W250-C257 HydrophobicContact CZ3-CB 4.09Å
251	C	95.5	Very high	91.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	101.2	171.6	-175.8	0	0	0	0	111.2	T253 A254 D255 L256 W268 C273	C251-T253 VanDerWaalsContact C-N 3.25Å; C251-T253 PolarHBondContact O-N 3.19Å; C251-T253 PolarHBondContact SG-OG1 2.97Å; C251-A254 HydrophobicContact CB-CB 4.12Å; C251-A254 PolarHBondContact O-N 3.31Å; C251-D255 PolarHBondContact O-N 2.8Å; C251-L256 HydrophobicContact CB-CD1 4.44Å; C251-L256 PolarHBondContact N-O 2.87Å; C251-L256 PolarHBondContact O-N 3Å; C251-W268 HydrophobicContact CB-CE3 3.82Å; C251-W268 HydrophobicContact CB-CH2 3.9Å; C251-W268 HydrophobicContact CB-CZ3 3.45Å; C251-W268 VanDerWaalsContact CB-CZ3 3.45Å; C251-C273 HydrophobicContact CB-CB 3.62Å; C251-C273 WeakPolarHBondContact CB-SG 3.39Å; C251-C273 WeakPolarHBondContact SG-CB 3.31Å; C251-C273 CovalentContact SG-SG 2Å; C251-C273 PolarHBondContact SG-SG 3.04Å
252	S	94.3	Very high	91.8	Very high	100 Å²	100	52.9 Å²	52.9	70%	0.699	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.6	180	-56	0	0	0	0	114.1
253	T	93.4	Very high	91.7	Very high	99 Å²	99	51.1 Å²	51.1	61%	0.607	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-26.9	178	46.9	0	0	0	0	112.8	C251 N271	C251-T253 VanDerWaalsContact C-N 3.25Å; C251-T253 PolarHBondContact O-N 3.19Å; C251-T253 PolarHBondContact SG-OG1 2.97Å; T253-N271 PolarHBondContact OG1-O 3.07Å
254	A	93.3	Very high	91.9	Very high	26 Å²	26	49.8 Å²	49.8	22%	0.215	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-8.3	-178.4	0	0	0	0	0	113.9	C251 L256 N271	C251-A254 HydrophobicContact CB-CB 4.12Å; C251-A254 PolarHBondContact O-N 3.31Å; A254-L256 VanDerWaalsContact C-N 3.32Å; A254-L256 HydrophobicContact CB-CD2 3.72Å; A254-L256 HydrophobicContact CB-CG 3.73Å; A254-L256 PolarHBondContact O-N 3.19Å; A254-N271 HydrophobicContact CB-CB 3.75Å; A254-N271 WeakPolarHBondContact CB-ND2 3.27Å
255	D	95.2	Very high	92.1	Very high	121 Å²	121	40.9 Å²	40.9	65%	0.647	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	43.6	-175.8	-157.4	39.6	0	0	0	113.5	W250 C251	W250-D255 WeakPolarHBondContact CZ2-OD1 3.21Å; C251-D255 PolarHBondContact O-N 2.8Å
256	L	95.3	Very high	92.3	Very high	20 Å²	20	40.6 Å²	40.6	11%	0.105	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.9	-177.8	66.1	81.1	0	0	0	113	C251 A254 H264 A267 W268	C251-L256 HydrophobicContact CB-CD1 4.44Å; C251-L256 PolarHBondContact N-O 2.87Å; C251-L256 PolarHBondContact O-N 3Å; A254-L256 VanDerWaalsContact C-N 3.32Å; A254-L256 HydrophobicContact CB-CD2 3.72Å; A254-L256 HydrophobicContact CB-CG 3.73Å; A254-L256 PolarHBondContact O-N 3.19Å; L256-H264 HydrophobicContact CD1-CB 3.81Å; L256-H264 HydrophobicContact CD2-CB 4.25Å; L256-A267 HydrophobicContact CD2-CB 3.55Å; L256-W268 HydrophobicContact CD1-CE3 3.69Å; L256-W268 HydrophobicContact CD1-CZ3 4.09Å
257	C	95.9	Very high	92.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	143.5	172.5	-173.8	0	0	0	0	110.9	C229 K232 C238 H249 W250 H264	C229-C257 WeakPolarHBondContact O-CB 3.29Å; C229-C257 PolarHBondContact O-SG 3.22Å; K232-C257 HydrophobicContact CB-CB 3.98Å; K232-C257 WeakPolarHBondContact O-CB 3.47Å; C238-C257 WeakPolarHBondContact CA-SG 3.37Å; C238-C257 HydrophobicContact CB-CB 3.5Å; C238-C257 VanDerWaalsContact CB-CB 3.5Å; C238-C257 WeakPolarHBondContact CB-SG 3.39Å; C238-C257 VanDerWaalsContact SG-CA 3.6Å; C238-C257 WeakPolarHBondContact SG-CB 3.37Å; C238-C257 CovalentContact SG-SG 2.02Å; C238-C257 PolarHBondContact SG-SG 2.71Å; H249-C257 WeakPolarHBondContact O-CA 3.47Å; W250-C257 HydrophobicContact CE3-CB 3.9Å; W250-C257 HydrophobicContact CZ3-CB 4.09Å; C257-H264 PolarHBondContact O-ND1 3.02Å
258	S	95	Very high	92.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	154.6	177.3	-176	0	0	0	0	111.9	H249 G260 D262	H249-S258 PolarHBondContact N-O 2.79Å; H249-S258 PolarHBondContact O-N 2.86Å; S258-G260 VanDerWaalsContact C-N 3.25Å; S258-G260 PolarHBondContact OG-N 3.41Å; S258-D262 WeakPolarHBondContact CA-OD2 2.9Å; S258-D262 WeakPolarHBondContact CB-OD1 3.48Å; S258-D262 PolarHBondContact OG-OD1 2.69Å; S258-D262 PolarHBondContact OG-OD2 3.33Å; S258-D262 VanDerWaalsContact OG-OD2 3.11Å
259	N	91.2	Very high	91.9	Very high	27 Å²	27	38.8 Å²	38.8	14%	0.144	21%	0.212	C	C	.	.			trans	-86.9	6.5	163.6	72.7	7.2	0	0	0	112.9	Y54 C229 M246 R261 D262	Y54-N259 WeakPolarHBondContact CE2-ND2 3.35Å; Y54-N259 PolarHBondContact OH-ND2 3.28Å; C229-N259 HydrophobicContact CB-CB 4.48Å; M246-N259 HydrophobicContact CG-CB 4.2Å; N259-R261 VanDerWaalsContact C-N 3.29Å; N259-R261 PolarHBondContact O-N 3.43Å; N259-R261 PolarHBondContact OD1-N 3.15Å; N259-D262 PolarHBondContact N-OD2 3.38Å; N259-D262 WeakPolarHBondContact OD1-CB 3.38Å; N259-D262 PolarHBondContact OD1-N 3.16Å; N259-D262 PolarHBondContact OD1-OD2 3.16Å
260	G	85.6	Confident	91.5	Very high	13 Å²	13	41 Å²	41	13%	0.134	22%	0.224	C	C	.	.	S	Bend	trans	82.5	-9.9	-179.4	0	0	0	0	0	115.4	S258	S258-G260 VanDerWaalsContact C-N 3.25Å; S258-G260 PolarHBondContact OG-N 3.41Å
261	R	86.7	Confident	91.1	Very high	100 Å²	100	42 Å²	42	38%	0.377	23%	0.231	S	C	.	.	S	Bend	trans	-128.5	4.2	177.9	-71	-170.1	-68.4	-171.1	-0.4	114	Y204 N259	Y204-R261 WeakPolarHBondContact CE2-O 3.43Å; Y204-R261 PolarHBondContact OH-O 2.89Å; N259-R261 VanDerWaalsContact C-N 3.29Å; N259-R261 PolarHBondContact O-N 3.43Å; N259-R261 PolarHBondContact OD1-N 3.15Å
262	D	91.9	Very high	90.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-80.4	-170.9	-179.1	58.1	32.1	0	0	0	114.6	Y54 Y204 F230 S258 N259 H264 S265	Y54-D262 HydrophobicContact CD1-CB 4.42Å; Y54-D262 HydrophobicContact CE1-CB 3.33Å; Y54-D262 PolarHBondContact OH-OD2 3.13Å; Y204-D262 WeakPolarHBondContact OH-CA 3.2Å; F230-D262 HydrophobicContact CB-CB 4.31Å; S258-D262 WeakPolarHBondContact CA-OD2 2.9Å; S258-D262 WeakPolarHBondContact CB-OD1 3.48Å; S258-D262 PolarHBondContact OG-OD1 2.69Å; S258-D262 PolarHBondContact OG-OD2 3.33Å; S258-D262 VanDerWaalsContact OG-OD2 3.11Å; N259-D262 PolarHBondContact N-OD2 3.38Å; N259-D262 WeakPolarHBondContact OD1-CB 3.38Å; N259-D262 PolarHBondContact OD1-N 3.16Å; N259-D262 PolarHBondContact OD1-OD2 3.16Å; D262-H264 PolarHBondContact O-N 3.1Å; D262-H264 VanDerWaalsContact O-N 3.09Å; D262-H264 WeakPolarHBondContact OD1-CA 3.28Å; D262-H264 VanDerWaalsContact OD1-CB 3.29Å; D262-H264 WeakPolarHBondContact OD1-CB 3.4Å; D262-H264 PolarHBondContact OD1-N 3.38Å; D262-S265 WeakPolarHBondContact O-CB 3.17Å; D262-S265 PolarHBondContact O-N 2.82Å; D262-S265 PolarHBondContact O-OG 2.98Å
263	T	92	Very high	90.4	Very high	9 Å²	9	44 Å²	44	6%	0.055	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-14.8	177	60.9	0	0	0	0	113.3	E55 Y92 Y188 Y204	E55-T263 HydrophobicContact CG-CG2 4.47Å; Y92-T263 HydrophobicContact CD1-CG2 4.37Å; Y92-T263 WeakPolarHBondContact O-CG2 3.29Å; Y92-T263 PolarHBondContact O-OG1 2.92Å; Y188-T263 HydrophobicContact CD1-CG2 4.29Å; Y188-T263 HydrophobicContact CD2-CG2 4.32Å; Y188-T263 HydrophobicContact CE1-CG2 4.46Å; Y188-T263 HydrophobicContact CG-CG2 4.24Å; Y204-T263 HydrophobicContact CE1-CG2 4.1Å
264	H	91.8	Very high	89.8	Confident	41 Å²	41	42.9 Å²	42.9	19%	0.19	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-4	170.7	-63.6	165.3	0	0	0	114.3	F230 L256 C257 D262 K266 A267 W268	F230-H264 PolarHBondContact O-CE1 2.84Å; L256-H264 HydrophobicContact CD1-CB 3.81Å; L256-H264 HydrophobicContact CD2-CB 4.25Å; C257-H264 PolarHBondContact O-ND1 3.02Å; D262-H264 PolarHBondContact O-N 3.1Å; D262-H264 VanDerWaalsContact O-N 3.09Å; D262-H264 WeakPolarHBondContact OD1-CA 3.28Å; D262-H264 VanDerWaalsContact OD1-CB 3.29Å; D262-H264 WeakPolarHBondContact OD1-CB 3.4Å; D262-H264 PolarHBondContact OD1-N 3.38Å; H264-K266 PolarHBondContact O-N 2.89Å; H264-A267 PolarHBondContact O-N 3.01Å; H264-W268 WeakPolarHBondContact O-CB 3.43Å; H264-W268 PolarHBondContact O-N 3.28Å
265	S	89.2	Confident	88.5	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.007	26%	0.259	C	S	.	.	H	α-helix	trans	-51.7	-36.2	-177.7	55.2	0	0	0	0	113.8	Y190 D262 W268 M269	Y190-S265 WeakPolarHBondContact CE2-OG 3.36Å; Y190-S265 PolarHBondContact OH-OG 2.88Å; Y190-S265 VanDerWaalsContact OH-OG 3.05Å; D262-S265 WeakPolarHBondContact O-CB 3.17Å; D262-S265 PolarHBondContact O-N 2.82Å; D262-S265 PolarHBondContact O-OG 2.98Å; S265-W268 WeakPolarHBondContact O-CB 3.37Å; S265-W268 PolarHBondContact O-N 2.85Å; S265-M269 WeakPolarHBondContact O-CE 3.32Å; S265-M269 VanDerWaalsContact O-CG 3.3Å; S265-M269 WeakPolarHBondContact O-CG 3.21Å; S265-M269 PolarHBondContact O-N 2.62Å
266	K	87.5	Confident	86.4	Confident	85 Å²	85	50.4 Å²	50.4	37%	0.37	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-51.8	175.8	-170.2	179.1	176.6	179.5	0	111.7	F28 Y190 H264 W268 M269 I270	F28-K266 HydrophobicContact CD2-CD 4.31Å; F28-K266 HydrophobicContact CD2-CG 3.72Å; F28-K266 HydrophobicContact CE2-CD 4.23Å; F28-K266 HydrophobicContact CE2-CG 3.41Å; F28-K266 VanDerWaalsContact CE2-CG 3.41Å; F28-K266 HydrophobicContact CZ-CG 4.06Å; F28-K266 WeakPolarHBondContact CZ-O 3.41Å; Y190-K266 VanDerWaalsContact OH-CA 3.3Å; Y190-K266 WeakPolarHBondContact OH-CA 3.39Å; Y190-K266 VanDerWaalsContact OH-CB 3.28Å; Y190-K266 WeakPolarHBondContact OH-CB 3.45Å; Y190-K266 PolarHBondContact OH-N 2.93Å; Y190-K266 VanDerWaalsContact OH-N 3.1Å; H264-K266 PolarHBondContact O-N 2.89Å; K266-W268 VanDerWaalsContact C-N 3.28Å; K266-W268 PolarHBondContact O-N 3.13Å; K266-M269 PolarHBondContact O-N 3.29Å; K266-I270 HydrophobicContact CG-CD1 4.19Å; K266-I270 PolarHBondContact O-N 2.82Å
267	A	89.2	Confident	84.3	Confident	33 Å²	33	51.3 Å²	51.3	27%	0.273	26%	0.263	S	S	.	.	H	α-helix	trans	-64.9	-36.1	178.2	0	0	0	0	0	111	L256 H264 M269 N271	L256-A267 HydrophobicContact CD2-CB 3.55Å; H264-A267 PolarHBondContact O-N 3.01Å; A267-M269 PolarHBondContact O-N 3.16Å; A267-N271 WeakPolarHBondContact O-CB 2.98Å; A267-N271 PolarHBondContact O-N 2.94Å; A267-N271 VanDerWaalsContact O-N 3.14Å; A267-N271 PolarHBondContact O-ND2 2.98Å
268	W	89.1	Confident	81.6	Confident	14 Å²	14	61.2 Å²	61.2	5%	0.053	31%	0.306	C	S	.	.	H	α-helix	trans	-57.6	-47.3	174.8	-165.9	-89.5	0	0	0	111.9	H249 C251 L256 H264 S265 K266 N272 C273 P274	H249-W268 HydrophobicContact CB-CH2 3.4Å; H249-W268 VanDerWaalsContact CB-CH2 3.4Å; H249-W268 HydrophobicContact CB-CZ2 3.82Å; H249-W268 HydrophobicContact CB-CZ3 4.41Å; H249-W268 VanDerWaalsContact O-CH2 3.29Å; H249-W268 WeakPolarHBondContact O-CH2 3.48Å; H249-W268 VanDerWaalsContact O-CZ3 3.24Å; H249-W268 WeakPolarHBondContact O-CZ3 3.41Å; C251-W268 HydrophobicContact CB-CE3 3.82Å; C251-W268 HydrophobicContact CB-CH2 3.9Å; C251-W268 HydrophobicContact CB-CZ3 3.45Å; C251-W268 VanDerWaalsContact CB-CZ3 3.45Å; L256-W268 HydrophobicContact CD1-CE3 3.69Å; L256-W268 HydrophobicContact CD1-CZ3 4.09Å; H264-W268 WeakPolarHBondContact O-CB 3.43Å; H264-W268 PolarHBondContact O-N 3.28Å; S265-W268 WeakPolarHBondContact O-CB 3.37Å; S265-W268 PolarHBondContact O-N 2.85Å; K266-W268 VanDerWaalsContact C-N 3.28Å; K266-W268 PolarHBondContact O-N 3.13Å; W268-N272 PolarHBondContact O-N 2.86Å; W268-C273 HydrophobicContact CD2-CB 3.4Å; W268-C273 HydrophobicContact CE3-CB 3.92Å; W268-C273 HydrophobicContact CG-CB 3.71Å; W268-C273 HydrophobicContact CH2-CB 4.12Å; W268-C273 HydrophobicContact CZ2-CB 3.65Å; W268-C273 HydrophobicContact CZ3-CB 4.27Å; W268-C273 WeakPolarHBondContact O-CB 3.41Å; W268-C273 PolarHBondContact O-N 3.23Å; W268-C273 VanDerWaalsContact O-N 3.14Å; W268-C273 PolarHBondContact O-SG 3.4Å; W268-P274 PolarHBondContact NE1-O 3.21Å
269	M	86.2	Confident	79.2	Confident	59 Å²	59	68.3 Å²	68.3	29%	0.291	33%	0.334	S	S	.	.	H	α-helix	trans	-73.7	-41.5	-179.2	-65.5	-179.4	-72.7	0	0	113	F28 H32 S265 K266 A267 N271 N272	F28-M269 HydrophobicContact CB-CE 4.39Å; F28-M269 HydrophobicContact CD1-CB 4.12Å; F28-M269 HydrophobicContact CD1-CE 3.26Å; F28-M269 HydrophobicContact CD1-SD 3.73Å; F28-M269 HydrophobicContact CE1-CB 3.31Å; F28-M269 HydrophobicContact CE1-CE 3.59Å; F28-M269 HydrophobicContact CE1-CG 4.21Å; F28-M269 HydrophobicContact CE1-SD 3.92Å; F28-M269 HydrophobicContact CG-CE 3.92Å; F28-M269 HydrophobicContact CZ-CB 3.97Å; F28-M269 HydrophobicContact CZ-CE 4.38Å; H32-M269 VanDerWaalsContact CE1-CE 3.47Å; H32-M269 WeakPolarHBondContact CE1-CE 3.11Å; H32-M269 VanDerWaalsContact NE2-CE 3.28Å; H32-M269 WeakPolarHBondContact NE2-CE 3.47Å; S265-M269 WeakPolarHBondContact O-CE 3.32Å; S265-M269 VanDerWaalsContact O-CG 3.3Å; S265-M269 WeakPolarHBondContact O-CG 3.21Å; S265-M269 PolarHBondContact O-N 2.62Å; K266-M269 PolarHBondContact O-N 3.29Å; A267-M269 PolarHBondContact O-N 3.16Å; M269-N271 PolarHBondContact O-N 2.85Å; M269-N272 PolarHBondContact O-N 3.22Å
270	I	87.1	Confident	76.5	Confident	77 Å²	77	71.2 Å²	71.2	40%	0.395	36%	0.362	S	S	.	.	H	α-helix	trans	-56.5	-41.6	176	-95.6	141.1	0	0	0	110.8	F28 K266 N272	F28-I270 HydrophobicContact CE2-CD1 3.49Å; F28-I270 VanDerWaalsContact CE2-CD1 3.49Å; F28-I270 HydrophobicContact CE2-CG1 3.83Å; F28-I270 HydrophobicContact CZ-CB 4.22Å; F28-I270 HydrophobicContact CZ-CD1 3.64Å; F28-I270 HydrophobicContact CZ-CG1 3.51Å; K266-I270 HydrophobicContact CG-CD1 4.19Å; K266-I270 PolarHBondContact O-N 2.82Å; I270-N272 VanDerWaalsContact C-N 3.27Å; I270-N272 PolarHBondContact O-N 2.81Å
271	N	88.3	Confident	73.8	Confident	56 Å²	56	80.3 Å²	80.3	30%	0.299	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	10.1	-173.5	-71.5	-72.2	0	0	0	113.6	T253 A254 A267 M269 C273	T253-N271 PolarHBondContact OG1-O 3.07Å; A254-N271 HydrophobicContact CB-CB 3.75Å; A254-N271 WeakPolarHBondContact CB-ND2 3.27Å; A267-N271 WeakPolarHBondContact O-CB 2.98Å; A267-N271 PolarHBondContact O-N 2.94Å; A267-N271 VanDerWaalsContact O-N 3.14Å; A267-N271 PolarHBondContact O-ND2 2.98Å; M269-N271 PolarHBondContact O-N 2.85Å; N271-C273 PolarHBondContact O-N 3.41Å; N271-C273 VanDerWaalsContact O-N 3.14Å
272	N	85.7	Confident	71.4	Confident	138 Å²	138	82.6 Å²	82.6	74%	0.738	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	39.5	-178.6	-65.1	-64.4	0	0	0	112.9	W268 M269 I270	W268-N272 PolarHBondContact O-N 2.86Å; M269-N272 PolarHBondContact O-N 3.22Å; I270-N272 VanDerWaalsContact C-N 3.27Å; I270-N272 PolarHBondContact O-N 2.81Å
273	C	89.9	Confident	70.4	Confident	5 Å²	5	86.8 Å²	86.8	3%	0.034	48%	0.475	C	S	.	.			trans	-60.7	150.6	179.7	-55.8	0	0	0	0	110.6	C251 W268 N271 K275	C251-C273 HydrophobicContact CB-CB 3.62Å; C251-C273 WeakPolarHBondContact CB-SG 3.39Å; C251-C273 WeakPolarHBondContact SG-CB 3.31Å; C251-C273 CovalentContact SG-SG 2Å; C251-C273 PolarHBondContact SG-SG 3.04Å; W268-C273 HydrophobicContact CD2-CB 3.4Å; W268-C273 HydrophobicContact CE3-CB 3.92Å; W268-C273 HydrophobicContact CG-CB 3.71Å; W268-C273 HydrophobicContact CH2-CB 4.12Å; W268-C273 HydrophobicContact CZ2-CB 3.65Å; W268-C273 HydrophobicContact CZ3-CB 4.27Å; W268-C273 WeakPolarHBondContact O-CB 3.41Å; W268-C273 PolarHBondContact O-N 3.23Å; W268-C273 VanDerWaalsContact O-N 3.14Å; W268-C273 PolarHBondContact O-SG 3.4Å; N271-C273 PolarHBondContact O-N 3.41Å; N271-C273 VanDerWaalsContact O-N 3.14Å; C273-K275 PolarHBondContact O-N 2.85Å
274	P	79.2	Confident	69.3	Low	76 Å²	76	90.8 Å²	90.8	49%	0.494	50%	0.497	S	S	.	.			trans	-52.2	127.9	-173.7	-27.5	34.6	0	0	0	113.2	W268 N276	W268-P274 PolarHBondContact NE1-O 3.21Å; P274-N276 PolarHBondContact O-N 3.49Å
275	K	65.7	Low	68	Low	191 Å²	191	93.6 Å²	93.6	83%	0.83	52%	0.515	S	S	*	.			trans	-86.7	78.4	175	-65	-177.5	-178.5	179.3	0	109.7	C273	C273-K275 PolarHBondContact O-N 2.85Å
276	N	52.3	Low	66.8	Low	114 Å²	114	99.1 Å²	99.1	61%	0.61	54%	0.544	S	S	*	.			trans	-107.4	25	172.7	-76.7	-19.7	0	0	0	113.2	P274 K278	P274-N276 PolarHBondContact O-N 3.49Å; N276-K278 PolarHBondContact O-N 2.68Å
277	V	51.1	Low	65.5	Low	38 Å²	38	99.9 Å²	99.9	23%	0.23	56%	0.555	C	S	.	*			trans	-79	95	175.2	-168	0	0	0	0	108.9	Y279	V277-Y279 HydrophobicContact CB-CE1 4.19Å; V277-Y279 HydrophobicContact CB-CE2 4.37Å; V277-Y279 HydrophobicContact CG1-CD1 3.69Å; V277-Y279 HydrophobicContact CG1-CE1 3.71Å; V277-Y279 HydrophobicContact CG1-CG 4.11Å; V277-Y279 WeakPolarHBondContact O-CD2 2.86Å; V277-Y279 PolarHBondContact O-N 2.94Å
278	K	39.6	Very low	63.9	Low	209 Å²	209	104.4 Å²	104.4	91%	0.909	57%	0.574	S	S	*	*			trans	-64.9	93.3	154.7	-77.6	-176.3	-179.4	174.5	0	106.3	N276 A280	N276-K278 PolarHBondContact O-N 2.68Å; K278-A280 PolarHBondContact O-N 3.02Å
279	Y	44.7	Very low	62.1	Low	148 Å²	148	110.9 Å²	110.9	58%	0.58	61%	0.611	S	S	*	*			trans	-56.3	113.9	173.4	-60	-80.8	0	0	0	108	V277 K281	V277-Y279 HydrophobicContact CB-CE1 4.19Å; V277-Y279 HydrophobicContact CB-CE2 4.37Å; V277-Y279 HydrophobicContact CG1-CD1 3.69Å; V277-Y279 HydrophobicContact CG1-CE1 3.71Å; V277-Y279 HydrophobicContact CG1-CG 4.11Å; V277-Y279 WeakPolarHBondContact O-CD2 2.86Å; V277-Y279 PolarHBondContact O-N 2.94Å; Y279-K281 PolarHBondContact O-N 3.2Å
280	A	33.3	Very low	60.2	Low	88 Å²	88	114.8 Å²	114.8	73%	0.727	64%	0.636	S	S	*	*			trans	-56.1	111.3	165.4	0	0	0	0	0	106.5	K278 G282	K278-A280 PolarHBondContact O-N 3.02Å; A280-G282 PolarHBondContact O-N 3.44Å; A280-G282 VanDerWaalsContact O-N 3.13Å
281	K	29.7	Very low	58	Low	204 Å²	204	118 Å²	118	89%	0.887	66%	0.656	S	S	*	*			trans	-63.3	113	170.1	-70	-176.4	178.2	179.5	0	106.3	Y279	Y279-K281 PolarHBondContact O-N 3.2Å
282	G	36.4	Very low	55.2	Low	149 Å²	149	123.6 Å²	123.6	100%	1.536	69%	0.689	S	S	*	*			trans	-69.3	0	152.7	0	0	0	0	0	109.6	A280	A280-G282 PolarHBondContact O-N 3.44Å; A280-G282 VanDerWaalsContact O-N 3.13Å

Retrieved 282 of 282 residues in 435.2 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).