A0A663E623_AQUCH Loading...

SplA/ryanodine receptor domain and SOCS box containing 4

AlphaFold DB , UniProt , Accession A0A663E623, Species AQUCH (Aquila chrysaetos chrysaetos), Gene SPSB4, Length 273 aa.

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(Predicted Aligned Error values between residue pairs)

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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	41.9	Very low	34.9	Very low	253 Å²	253	148.8 Å²	148.8	100%	1.246	85%	0.846	S	S	*	*				0	97.6	0	-76.2	174.6	-168.3	0	0	108.1
2	G	34.6	Very low	34.8	Very low	80 Å²	80	146.8 Å²	146.8	83%	0.825	84%	0.839	S	S	*	*			trans	-102.1	113.5	176.7	0	0	0	0	0	109.7
3	Q	36.4	Very low	34.6	Very low	192 Å²	192	145.8 Å²	145.8	90%	0.897	83%	0.83	S	S	*	*			trans	-78.8	116	171.4	-96.6	175.5	-27.3	0	0	109.3
4	K	35	Very low	34.8	Very low	210 Å²	210	143.9 Å²	143.9	91%	0.913	82%	0.821	S	S	*	*			trans	-80.3	119.6	166.1	-76.2	-177.6	174.6	-179.9	0	108.5
5	I	37.1	Very low	34.9	Very low	162 Å²	162	148.8 Å²	148.8	83%	0.831	82%	0.821	S	S	*	*			trans	-95.8	103.8	170.6	-53.1	170.5	0	0	0	106.8	G7	I5-G7 PolarHBondContact O-N 3.45Å
6	S	33.4	Very low	35	Very low	109 Å²	109	149 Å²	149	76%	0.762	82%	0.815	S	S	*	*			trans	-84.8	90.7	172.6	58.9	0	0	0	0	109.7	S8	S6-S8 PolarHBondContact O-N 3.01Å
7	G	31.6	Very low	35.3	Very low	69 Å²	69	145.7 Å²	145.7	71%	0.711	80%	0.802	S	S	*	*			trans	-77.1	96.3	171.1	0	0	0	0	0	110.7	I5 I9	I5-G7 PolarHBondContact O-N 3.45Å; G7-I9 PolarHBondContact O-N 3.24Å
8	S	29.8	Very low	35.5	Very low	104 Å²	104	144.1 Å²	144.1	73%	0.727	80%	0.799	S	S	*	*			trans	-80	103.8	170.9	-54.7	0	0	0	0	108.6	S6 K10	S6-S8 PolarHBondContact O-N 3.01Å; S8-K10 PolarHBondContact O-N 3.17Å; S8-K10 VanDerWaalsContact O-N 3.13Å
9	I	36.6	Very low	36	Very low	162 Å²	162	146.2 Å²	146.2	83%	0.831	80%	0.795	S	S	*	*			trans	-69.9	104.4	171.2	-64.1	168.7	0	0	0	107	G7 S11	G7-I9 PolarHBondContact O-N 3.24Å; I9-S11 PolarHBondContact O-N 3.05Å
10	K	33.5	Very low	36.7	Very low	190 Å²	190	148.3 Å²	148.3	83%	0.826	79%	0.791	S	S	*	*			trans	-75	101.7	165.8	-73.8	-173.8	176.7	-177.9	0	107.4	S8 V12	S8-K10 PolarHBondContact O-N 3.17Å; S8-K10 VanDerWaalsContact O-N 3.13Å; K10-V12 PolarHBondContact O-N 3.04Å; K10-V12 VanDerWaalsContact O-N 3.11Å
11	S	33.7	Very low	37.2	Very low	106 Å²	106	145.5 Å²	145.5	74%	0.741	78%	0.781	S	S	*	*			trans	-58.1	110.7	164.4	49.2	0	0	0	0	108.2	I9 D13	I9-S11 PolarHBondContact O-N 3.05Å; S11-D13 PolarHBondContact O-N 2.69Å; S11-D13 VanDerWaalsContact O-N 3.14Å
12	V	34	Very low	37.6	Very low	124 Å²	124	134.9 Å²	134.9	75%	0.752	73%	0.73	S	S	*	*			trans	-72.3	104.3	168.8	-178.6	0	0	0	0	105.9	K10 V14	K10-V12 PolarHBondContact O-N 3.04Å; K10-V12 VanDerWaalsContact O-N 3.11Å; V12-V14 VanDerWaalsContact C-N 3.29Å; V12-V14 HydrophobicContact CG1-CG2 4.32Å; V12-V14 PolarHBondContact O-N 2.78Å
13	D	32.1	Very low	38.2	Very low	135 Å²	135	140.1 Å²	140.1	72%	0.722	73%	0.731	S	S	*	*			trans	-69.5	91.1	173.5	-156.1	8.5	0	0	0	107.1	S11 R15	S11-D13 PolarHBondContact O-N 2.69Å; S11-D13 VanDerWaalsContact O-N 3.14Å; D13-R15 PolarHBondContact O-N 3.35Å
14	V	37.7	Very low	39.3	Very low	118 Å²	118	138 Å²	138	72%	0.715	72%	0.715	S	S	*	*			trans	-70.1	85.8	173	-178.5	0	0	0	0	106.1	V12 E16	V12-V14 VanDerWaalsContact C-N 3.29Å; V12-V14 HydrophobicContact CG1-CG2 4.32Å; V12-V14 PolarHBondContact O-N 2.78Å; V14-E16 PolarHBondContact O-N 2.71Å
15	R	35.9	Very low	40.5	Very low	218 Å²	218	134.8 Å²	134.8	82%	0.823	70%	0.702	S	S	*	*			trans	-61.1	103.5	166.5	-82.2	-178.4	175.2	-175.4	-2.3	107.4	D13	D13-R15 PolarHBondContact O-N 3.35Å
16	E	37	Very low	41.9	Very low	152 Å²	152	128.3 Å²	128.3	71%	0.71	67%	0.669	S	S	*	*			trans	-53.8	131.6	165.6	-67.6	-172.9	158.1	0	0	108.1	V14	V14-E16 PolarHBondContact O-N 2.71Å
17	P	40.1	Very low	43	Very low	93 Å²	93	132.8 Å²	132.8	60%	0.604	67%	0.67	S	S	*	*			trans	-57.6	146.8	175.5	23.8	-31.6	0	0	0	109.2	Y19	P17-Y19 PolarHBondContact O-N 3.33Å
18	P	38.8	Very low	44.4	Very low	116 Å²	116	130.8 Å²	130.8	75%	0.753	65%	0.649	S	S	*	*			trans	-57.6	112.9	-172.3	22.1	-32	0	0	0	110.6	R20	P18-R20 PolarHBondContact O-N 3.2Å; P18-R20 VanDerWaalsContact O-N 3.08Å
19	Y	45.4	Very low	45.9	Very low	184 Å²	184	131.2 Å²	131.2	72%	0.722	65%	0.65	S	S	*	*			trans	-57.2	110.3	173.2	-121.9	-96.8	0	0	0	108.8	P17	P17-Y19 PolarHBondContact O-N 3.33Å
20	R	48.9	Very low	47.7	Very low	189 Å²	189	129 Å²	129	71%	0.713	64%	0.639	S	S	*	*			trans	-111.7	108.4	167.4	-77	-170.2	175.6	179.7	0.3	108.8	P18	P18-R20 PolarHBondContact O-N 3.2Å; P18-R20 VanDerWaalsContact O-N 3.08Å
21	P	47.2	Very low	49.9	Very low	90 Å²	90	121.9 Å²	121.9	58%	0.584	61%	0.608	S	S	*	*			trans	-61.8	159.4	167.8	25.9	-31.2	0	0	0	109.8	K23	P21-K23 HydrophobicContact CB-CG 4.49Å; P21-K23 HydrophobicContact CG-CG 4.45Å; P21-K23 PolarHBondContact O-N 2.92Å
22	V	50.3	Low	52.2	Low	29 Å²	29	120.9 Å²	120.9	18%	0.176	60%	0.6	C	S	.	*	S	Bend	trans	-59.3	17.6	-178.7	-175.1	0	0	0	0	114	R24 F171 V192 D193 Q195	V22-R24 PolarHBondContact O-N 2.9Å; V22-F171 HydrophobicContact CB-CE2 4.39Å; V22-F171 HydrophobicContact CG1-CE2 4.03Å; V22-F171 HydrophobicContact CG1-CZ 4.05Å; V22-F171 HydrophobicContact CG2-CE2 3.76Å; V22-F171 HydrophobicContact CG2-CZ 3.81Å; V22-V192 HydrophobicContact CG2-CG1 4.48Å; V22-D193 HydrophobicContact CG1-CB 4.45Å; V22-Q195 VanDerWaalsContact CG1-OE1 3.27Å
23	K	48.5	Very low	54.8	Low	191 Å²	191	118 Å²	118	83%	0.83	58%	0.578	S	S	*	*			trans	-77.4	25.4	-177	-67.9	-168.6	176.1	-174.9	0	114.6	P21	P21-K23 HydrophobicContact CB-CG 4.49Å; P21-K23 HydrophobicContact CG-CG 4.45Å; P21-K23 PolarHBondContact O-N 2.92Å
24	R	58.8	Low	57.5	Low	148 Å²	148	114.4 Å²	114.4	56%	0.558	56%	0.562	S	S	*	*			trans	-92.5	102.5	165.4	-165.4	173.5	-176	-177.2	-1.8	106.9	V22 L26 Q195	V22-R24 PolarHBondContact O-N 2.9Å; R24-L26 PolarHBondContact O-N 3.15Å; R24-Q195 PolarHBondContact O-NE2 3.25Å
25	E	59.5	Low	59.8	Low	141 Å²	141	111.8 Å²	111.8	66%	0.659	55%	0.552	S	S	*	*			trans	-59.6	103.9	166.6	-75.2	-174.5	170.9	0	0	108.2	R27	E25-R27 PolarHBondContact O-N 2.82Å; E25-R27 IonicContact OE2-CZ 3.58Å; E25-R27 IonicContact OE2-NE 3.68Å; E25-R27 IonicContact OE2-NH2 2.74Å; E25-R27 PolarHBondContact OE2-NH2 2.75Å
26	L	66.6	Low	62.3	Low	26 Å²	26	104.9 Å²	104.9	14%	0.136	53%	0.526	C	S	.	.			trans	-70.9	115.4	176.6	-62.5	163.6	0	0	0	107.8	R24 F31 F164 Q195 L197	R24-L26 PolarHBondContact O-N 3.15Å; L26-F31 HydrophobicContact CB-CB 3.79Å; L26-F31 HydrophobicContact CB-CD1 4.23Å; L26-F31 HydrophobicContact CB-CD2 4.07Å; L26-F31 HydrophobicContact CB-CG 3.76Å; L26-F31 HydrophobicContact CD1-CD1 3.94Å; L26-F31 HydrophobicContact CD1-CE1 4.39Å; L26-F31 HydrophobicContact CD1-CG 4.31Å; L26-F164 HydrophobicContact CD1-CD1 3.44Å; L26-F164 VanDerWaalsContact CD1-CD1 3.44Å; L26-F164 HydrophobicContact CD1-CE1 3Å; L26-F164 HydrophobicContact CD1-CG 4.4Å; L26-F164 HydrophobicContact CD1-CZ 3.7Å; L26-F164 HydrophobicContact CD2-CB 3.88Å; L26-F164 HydrophobicContact CD2-CD1 3.19Å; L26-F164 HydrophobicContact CD2-CD2 3.69Å; L26-F164 HydrophobicContact CD2-CE1 3.48Å; L26-F164 VanDerWaalsContact CD2-CE1 3.48Å; L26-F164 HydrophobicContact CD2-CE2 3.97Å; L26-F164 HydrophobicContact CD2-CG 3.29Å; L26-F164 HydrophobicContact CD2-CZ 3.87Å; L26-F164 HydrophobicContact CG-CD1 3.89Å; L26-F164 HydrophobicContact CG-CE1 3.78Å; L26-F164 HydrophobicContact CG-CG 4.43Å; L26-F164 HydrophobicContact CG-CZ 4.26Å; L26-Q195 VanDerWaalsContact CD1-CD 3.5Å; L26-Q195 HydrophobicContact CD1-CG 3.98Å; L26-Q195 VanDerWaalsContact CD1-NE2 3.27Å; L26-L197 HydrophobicContact CD1-CD2 4.17Å
27	R	56.6	Low	65	Low	203 Å²	203	97.7 Å²	97.7	77%	0.766	49%	0.493	S	S	*	.			trans	-109.4	123.9	177.4	-62.7	-172.2	-173.4	-137.2	-0.7	108	E25	E25-R27 PolarHBondContact O-N 2.82Å; E25-R27 IonicContact OE2-CZ 3.58Å; E25-R27 IonicContact OE2-NE 3.68Å; E25-R27 IonicContact OE2-NH2 2.74Å; E25-R27 PolarHBondContact OE2-NH2 2.75Å
28	G	61.6	Low	67.4	Low	27 Å²	27	94.9 Å²	94.9	28%	0.278	47%	0.473	S	S	.	.	S	Bend	trans	160.1	151.7	-179.8	0	0	0	0	0	110.4	D30 F31 C32	G28-D30 PolarHBondContact O-N 3.26Å; G28-F31 PolarHBondContact O-N 3.46Å; G28-C32 PolarHBondContact O-N 3.35Å
29	P	61.3	Low	69.6	Low	114 Å²	114	90.4 Å²	90.4	74%	0.74	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-58	-32.9	-176.4	22.9	-32.5	0	0	0	112.6	F31 C32	P29-F31 VanDerWaalsContact C-N 3.29Å; P29-F31 PolarHBondContact O-N 3.23Å; P29-C32 PolarHBondContact O-N 3.04Å
30	D	74.4	Confident	71.9	Confident	114 Å²	114	81.6 Å²	81.6	61%	0.61	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-73.7	-16.9	-179.7	-61.2	-44.3	0	0	0	114.1	G28 G198	G28-D30 PolarHBondContact O-N 3.26Å; D30-G198 VanDerWaalsContact O-CA 3.27Å; D30-G198 WeakPolarHBondContact O-CA 3.49Å
31	F	79.9	Confident	73.9	Confident	42 Å²	42	74.8 Å²	74.8	18%	0.184	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-104.9	-2.1	-179.7	-54.1	-67.7	0	0	0	112.7	L26 G28 P29 K33 F164	L26-F31 HydrophobicContact CB-CB 3.79Å; L26-F31 HydrophobicContact CB-CD1 4.23Å; L26-F31 HydrophobicContact CB-CD2 4.07Å; L26-F31 HydrophobicContact CB-CG 3.76Å; L26-F31 HydrophobicContact CD1-CD1 3.94Å; L26-F31 HydrophobicContact CD1-CE1 4.39Å; L26-F31 HydrophobicContact CD1-CG 4.31Å; G28-F31 PolarHBondContact O-N 3.46Å; P29-F31 VanDerWaalsContact C-N 3.29Å; P29-F31 PolarHBondContact O-N 3.23Å; F31-K33 PolarHBondContact O-N 3.27Å; F31-F164 HydrophobicContact CD1-CD1 4.49Å; F31-F164 AromaticContact CE1-CD1 3.78Å; F31-F164 HydrophobicContact CE1-CD1 3.78Å; F31-F164 HydrophobicContact CZ-CB 4.16Å; F31-F164 HydrophobicContact CZ-CD1 4.01Å
32	C	82.3	Confident	75.8	Confident	85 Å²	85	72.8 Å²	72.8	57%	0.574	37%	0.369	S	S	*	.	S	Bend	trans	-71.3	124.4	171.6	-73.5	0	0	0	0	109.8	G28 P29 P34	G28-C32 PolarHBondContact O-N 3.35Å; P29-C32 PolarHBondContact O-N 3.04Å; C32-P34 WeakPolarHBondContact O-CD 3.38Å
33	K	87	Confident	77.7	Confident	63 Å²	63	74.1 Å²	74.1	27%	0.274	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-58.3	125.1	175.1	-165.9	-161.8	-60.9	170.6	0	109.7	F31 L37 D38 L41	F31-K33 PolarHBondContact O-N 3.27Å; K33-L37 HydrophobicContact CD-CD2 4.38Å; K33-L37 HydrophobicContact CD-CG 4.08Å; K33-L37 HydrophobicContact CG-CB 4.12Å; K33-L37 HydrophobicContact CG-CD2 3.65Å; K33-L37 HydrophobicContact CG-CG 3.81Å; K33-D38 HydrophobicContact CD-CB 3.71Å; K33-D38 WeakPolarHBondContact CD-OD1 3.5Å; K33-D38 IonicContact NZ-OD1 2.78Å; K33-D38 PolarHBondContact NZ-OD1 3.22Å; K33-L41 HydrophobicContact CD-CD1 4.23Å
34	P	89.3	Confident	79.6	Confident	59 Å²	59	67.9 Å²	67.9	38%	0.383	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-58.4	145.7	176.8	-26.3	34.8	0	0	0	112.2	C32 R36 L37 D38 Y196	C32-P34 WeakPolarHBondContact O-CD 3.38Å; P34-R36 VanDerWaalsContact C-N 3.32Å; P34-R36 PolarHBondContact O-N 3.49Å; P34-L37 HydrophobicContact CB-CB 4.32Å; P34-L37 WeakPolarHBondContact O-CB 3.38Å; P34-L37 PolarHBondContact O-N 3.33Å; P34-D38 PolarHBondContact O-N 2.93Å; P34-Y196 HydrophobicContact CG-CE1 4.49Å
35	A	86.8	Confident	81.3	Confident	63 Å²	63	65 Å²	65	52%	0.521	35%	0.354	S	S	.	.	H	α-helix	trans	-57.3	-41.5	-175.8	0	0	0	0	0	113	L37 D38 M39	A35-L37 VanDerWaalsContact C-N 3.34Å; A35-L37 PolarHBondContact O-N 2.98Å; A35-D38 PolarHBondContact O-N 2.96Å; A35-M39 VanDerWaalsContact O-CG 3.25Å; A35-M39 WeakPolarHBondContact O-CG 3.16Å; A35-M39 PolarHBondContact O-N 3.24Å
36	R	89.2	Confident	83	Confident	73 Å²	73	58.7 Å²	58.7	28%	0.275	33%	0.326	S	S	.	.	H	α-helix	trans	-63.7	-37.5	176.4	-70	-178	73.7	-157.8	6.9	112.5	P34 M39 L40 L97 D182 D184 L230 D231	P34-R36 VanDerWaalsContact C-N 3.32Å; P34-R36 PolarHBondContact O-N 3.49Å; R36-M39 WeakPolarHBondContact O-CB 3.32Å; R36-M39 PolarHBondContact O-N 3.14Å; R36-L40 WeakPolarHBondContact O-CB 2.91Å; R36-L40 PolarHBondContact O-N 3.38Å; R36-L97 HydrophobicContact CB-CD2 3.94Å; R36-D182 IonicContact NH1-OD2 2.97Å; R36-D184 IonicContact CZ-OD2 2.78Å; R36-D184 IonicContact NH1-OD2 3.91Å; R36-D184 PolarHBondContact NH1-OD2 2.89Å; R36-D184 IonicContact NH2-OD2 3.31Å; R36-D184 PolarHBondContact NH2-OD2 3.14Å; R36-L230 WeakPolarHBondContact O-CD1 2.97Å; R36-D231 PolarHBondContact NH2-O 3.08Å
37	L	92.9	Very high	84.5	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-67.3	-42.9	176.4	177.2	58.9	0	0	0	111.3	K33 P34 A35 M39 L40 L41 L97 V99 V180 M191 Y196	K33-L37 HydrophobicContact CD-CD2 4.38Å; K33-L37 HydrophobicContact CD-CG 4.08Å; K33-L37 HydrophobicContact CG-CB 4.12Å; K33-L37 HydrophobicContact CG-CD2 3.65Å; K33-L37 HydrophobicContact CG-CG 3.81Å; P34-L37 HydrophobicContact CB-CB 4.32Å; P34-L37 WeakPolarHBondContact O-CB 3.38Å; P34-L37 PolarHBondContact O-N 3.33Å; A35-L37 VanDerWaalsContact C-N 3.34Å; A35-L37 PolarHBondContact O-N 2.98Å; L37-M39 VanDerWaalsContact C-N 3.31Å; L37-M39 PolarHBondContact O-N 2.99Å; L37-L40 PolarHBondContact O-N 3.22Å; L37-L41 HydrophobicContact CD1-CD1 3.93Å; L37-L41 HydrophobicContact CD1-CG 4.07Å; L37-L41 HydrophobicContact CG-CD1 4.06Å; L37-L41 VanDerWaalsContact O-CG 3.28Å; L37-L41 WeakPolarHBondContact O-CG 3.44Å; L37-L41 PolarHBondContact O-N 3.17Å; L37-L41 VanDerWaalsContact O-N 3.09Å; L37-L97 HydrophobicContact CB-CD2 4.25Å; L37-V99 HydrophobicContact CD1-CG2 3.59Å; L37-V180 HydrophobicContact CD1-CB 4.46Å; L37-V180 HydrophobicContact CD1-CG1 3.72Å; L37-V180 HydrophobicContact CD1-CG2 3.85Å; L37-V180 HydrophobicContact CD2-CG1 4Å; L37-V180 HydrophobicContact CD2-CG2 3.99Å; L37-V180 HydrophobicContact CG-CG1 4.41Å; L37-M191 HydrophobicContact CD2-SD 3.8Å; L37-M191 HydrophobicContact CG-SD 4.32Å; L37-Y196 HydrophobicContact CD2-CD2 3.78Å; L37-Y196 HydrophobicContact CD2-CE2 3.95Å
38	D	89.7	Confident	86.4	Confident	33 Å²	33	59.9 Å²	59.9	18%	0.176	34%	0.339	C	S	.	.	H	α-helix	trans	-59	-44.6	175.4	-162.5	54.2	0	0	0	111.9	K33 P34 A35 L41 D42 R243	K33-D38 HydrophobicContact CD-CB 3.71Å; K33-D38 WeakPolarHBondContact CD-OD1 3.5Å; K33-D38 IonicContact NZ-OD1 2.78Å; K33-D38 PolarHBondContact NZ-OD1 3.22Å; P34-D38 PolarHBondContact O-N 2.93Å; A35-D38 PolarHBondContact O-N 2.96Å; D38-L41 PolarHBondContact O-N 3.45Å; D38-D42 PolarHBondContact O-N 3.48Å; D38-D42 VanDerWaalsContact O-N 3.11Å; D38-R243 IonicContact OD2-NH2 3.64Å; D38-R243 PolarHBondContact OD2-NH2 2.99Å
39	M	86.1	Confident	88.2	Confident	22 Å²	22	65.6 Å²	65.6	11%	0.108	36%	0.359	C	S	.	.	H	α-helix	trans	-58.6	-50.1	174.8	-69.2	-178	77	0	0	112.9	A35 R36 L37 L41 D42 M43 L230 L235 L240 R243	A35-M39 VanDerWaalsContact O-CG 3.25Å; A35-M39 WeakPolarHBondContact O-CG 3.16Å; A35-M39 PolarHBondContact O-N 3.24Å; R36-M39 WeakPolarHBondContact O-CB 3.32Å; R36-M39 PolarHBondContact O-N 3.14Å; L37-M39 VanDerWaalsContact C-N 3.31Å; L37-M39 PolarHBondContact O-N 2.99Å; M39-L41 PolarHBondContact O-N 2.73Å; M39-D42 PolarHBondContact O-N 2.92Å; M39-M43 WeakPolarHBondContact O-CG 3.4Å; M39-M43 PolarHBondContact O-N 3.35Å; M39-L230 HydrophobicContact CB-CD1 4.39Å; M39-L235 HydrophobicContact CE-CD1 3.17Å; M39-L235 HydrophobicContact CE-CG 4.5Å; M39-L235 HydrophobicContact SD-CD1 3.9Å; M39-L240 HydrophobicContact CE-CD2 3.62Å; M39-L240 HydrophobicContact SD-CD2 4.42Å; M39-R243 PolarHBondContact SD-NH1 2.7Å
40	L	92.3	Very high	89.9	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-57.8	-41.1	-178.2	-174.6	160.1	0	0	0	110.9	R36 L37 M43 L97 V99 N228 L230	R36-L40 WeakPolarHBondContact O-CB 2.91Å; R36-L40 PolarHBondContact O-N 3.38Å; L37-L40 PolarHBondContact O-N 3.22Å; L40-M43 PolarHBondContact O-N 2.97Å; L40-L97 HydrophobicContact CB-CD2 4.39Å; L40-L97 HydrophobicContact CD1-CB 4.35Å; L40-L97 HydrophobicContact CD1-CD2 3.8Å; L40-L97 HydrophobicContact CD1-CG 3.75Å; L40-V99 HydrophobicContact CD1-CG2 3.93Å; L40-V99 HydrophobicContact CD2-CB 3.8Å; L40-V99 HydrophobicContact CD2-CG2 3.59Å; L40-V99 HydrophobicContact CG-CG2 4.42Å; L40-N228 HydrophobicContact CD2-CB 3.55Å; L40-N228 HydrophobicContact CG-CB 3.83Å; L40-L230 HydrophobicContact CB-CD1 3.76Å; L40-L230 HydrophobicContact CB-CG 3.98Å; L40-L230 HydrophobicContact CD1-CB 4.44Å; L40-L230 HydrophobicContact CD1-CD1 4.42Å; L40-L230 HydrophobicContact CD1-CG 3.98Å; L40-L230 HydrophobicContact CG-CD1 4.45Å; L40-L230 HydrophobicContact CG-CG 4.13Å
41	L	92.2	Very high	91.1	Very high	45 Å²	45	58.4 Å²	58.4	24%	0.236	32%	0.315	C	S	.	.	H	α-helix	trans	-76.4	-22.1	-178.3	-66.7	176.3	0	0	0	113.9	K33 L37 D38 M39 M43 V99 L178 M191 I227	K33-L41 HydrophobicContact CD-CD1 4.23Å; L37-L41 HydrophobicContact CD1-CD1 3.93Å; L37-L41 HydrophobicContact CD1-CG 4.07Å; L37-L41 HydrophobicContact CG-CD1 4.06Å; L37-L41 VanDerWaalsContact O-CG 3.28Å; L37-L41 WeakPolarHBondContact O-CG 3.44Å; L37-L41 PolarHBondContact O-N 3.17Å; L37-L41 VanDerWaalsContact O-N 3.09Å; D38-L41 PolarHBondContact O-N 3.45Å; M39-L41 PolarHBondContact O-N 2.73Å; L41-M43 VanDerWaalsContact C-N 3.33Å; L41-V99 HydrophobicContact CD2-CG1 4.16Å; L41-L178 HydrophobicContact CD2-CD1 4.04Å; L41-M191 HydrophobicContact CD1-CE 4.04Å; L41-M191 HydrophobicContact CD1-SD 3.64Å; L41-I227 HydrophobicContact CD2-CG2 4.24Å
42	D	87.8	Confident	91.9	Very high	48 Å²	48	60.5 Å²	60.5	26%	0.257	32%	0.322	S	S	.	.	H	α-helix	trans	-81	-14.3	174	-81.9	-11.8	0	0	0	112.8	D38 M39 R251	D38-D42 PolarHBondContact O-N 3.48Å; D38-D42 VanDerWaalsContact O-N 3.11Å; M39-D42 PolarHBondContact O-N 2.92Å; D42-R251 IonicContact OD1-NH2 3.48Å; D42-R251 PolarHBondContact OD1-NH2 2.9Å
43	M	88.4	Confident	92.7	Very high	57 Å²	57	63 Å²	63	28%	0.281	32%	0.323	S	S	.	.	S	Bend	trans	-73.4	148.9	172.5	-63.7	177.1	78	0	0	111	M39 L40 L41 L230	M39-M43 WeakPolarHBondContact O-CG 3.4Å; M39-M43 PolarHBondContact O-N 3.35Å; L40-M43 PolarHBondContact O-N 2.97Å; L41-M43 VanDerWaalsContact C-N 3.33Å; M43-L230 HydrophobicContact SD-CD2 3.88Å
44	P	90.1	Very high	93.3	Very high	60 Å²	60	61.4 Å²	61.4	39%	0.39	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-52.9	136.8	170.4	-24.7	32.1	0	0	0	110.6	N228 Y272	P44-N228 PolarHBondContact O-ND2 2.94Å; P44-Y272 HydrophobicContact CG-CD1 3.42Å; P44-Y272 VanDerWaalsContact CG-CD1 3.42Å; P44-Y272 HydrophobicContact CG-CD2 3.9Å; P44-Y272 HydrophobicContact CG-CE1 3.95Å; P44-Y272 HydrophobicContact CG-CE2 4.39Å; P44-Y272 HydrophobicContact CG-CG 3.38Å
45	P	93.3	Very high	93.7	Very high	87 Å²	87	58.6 Å²	58.6	57%	0.565	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-61.3	149.9	-179.7	26.3	-34.3	0	0	0	110.9	K47	P45-K47 PolarHBondContact O-N 3.4Å
46	A	96.6	Very high	94.3	Very high	10 Å²	10	55.7 Å²	55.7	8%	0.083	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-53	136.7	178.2	0	0	0	0	0	111	V50 Q51 Y226 I227 N228	A46-V50 HydrophobicContact CB-CB 4.08Å; A46-V50 HydrophobicContact CB-CG1 3.93Å; A46-Q51 PolarHBondContact O-NE2 3.37Å; A46-Y226 HydrophobicContact CB-CD1 4Å; A46-Y226 HydrophobicContact CB-CE1 4.49Å; A46-I227 VanDerWaalsContact CB-O 3.27Å; A46-I227 WeakPolarHBondContact CB-O 3.17Å; A46-I227 PolarHBondContact N-O 2.82Å; A46-N228 PolarHBondContact N-OD1 3.13Å
47	K	96.9	Very high	94.8	Very high	165 Å²	165	53.8 Å²	53.8	72%	0.717	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-59.5	155.1	177	-62.6	-177	-178.8	-179.4	0	110.9	P45 E49 V50 Q51	P45-K47 PolarHBondContact O-N 3.4Å; K47-E49 PolarHBondContact O-N 2.96Å; K47-E49 VanDerWaalsContact O-N 3.15Å; K47-V50 WeakPolarHBondContact O-CA 3.26Å; K47-V50 WeakPolarHBondContact O-CB 3.18Å; K47-V50 PolarHBondContact O-N 3.33Å; K47-Q51 PolarHBondContact O-N 2.87Å
48	L	97.3	Very high	95	Very high	88 Å²	88	57.2 Å²	57.2	46%	0.461	29%	0.288	S	S	.	.	H	α-helix	trans	-54.2	-38.4	-176.5	-174.2	60.9	0	0	0	113.5	V50 Q51 Y52 L73	L48-V50 VanDerWaalsContact C-N 3.28Å; L48-V50 PolarHBondContact O-N 3.04Å; L48-Q51 WeakPolarHBondContact O-CB 3.44Å; L48-Q51 PolarHBondContact O-N 2.99Å; L48-Q51 VanDerWaalsContact O-N 3.13Å; L48-Y52 HydrophobicContact CD1-CD1 4.46Å; L48-Y52 HydrophobicContact CD1-CE1 3.87Å; L48-Y52 HydrophobicContact CD1-CE2 4.1Å; L48-Y52 HydrophobicContact CD2-CE2 3.92Å; L48-Y52 HydrophobicContact CG-CD2 4.17Å; L48-Y52 HydrophobicContact CG-CE1 4.28Å; L48-Y52 HydrophobicContact CG-CE2 3.58Å; L48-Y52 PolarHBondContact O-N 3.35Å; L48-L73 HydrophobicContact CD1-CD1 4.04Å
49	E	97.7	Very high	95.4	Very high	147 Å²	147	64.4 Å²	64.4	69%	0.687	32%	0.321	S	S	*	.	H	α-helix	trans	-58.8	-38.6	175.3	-65	174.9	-173.5	0	0	112.9	K47 K53	K47-E49 PolarHBondContact O-N 2.96Å; K47-E49 VanDerWaalsContact O-N 3.15Å; E49-K53 WeakPolarHBondContact O-CG 3.49Å; E49-K53 PolarHBondContact O-N 2.87Å
50	V	98.1	Very high	96	Very high	51 Å²	51	65.2 Å²	65.2	31%	0.309	33%	0.325	S	S	.	.	H	α-helix	trans	-71.4	-43.4	175.1	178.7	0	0	0	0	109.4	A46 K47 L48 Y52 K53 H54 Y226	A46-V50 HydrophobicContact CB-CB 4.08Å; A46-V50 HydrophobicContact CB-CG1 3.93Å; K47-V50 WeakPolarHBondContact O-CA 3.26Å; K47-V50 WeakPolarHBondContact O-CB 3.18Å; K47-V50 PolarHBondContact O-N 3.33Å; L48-V50 VanDerWaalsContact C-N 3.28Å; L48-V50 PolarHBondContact O-N 3.04Å; V50-Y52 VanDerWaalsContact C-N 3.27Å; V50-Y52 PolarHBondContact O-N 3.48Å; V50-K53 WeakPolarHBondContact O-CB 3.47Å; V50-K53 PolarHBondContact O-N 2.79Å; V50-H54 PolarHBondContact O-CD2 3.49Å; V50-H54 VanDerWaalsContact O-CD2 3.27Å; V50-H54 PolarHBondContact O-N 3.25Å; V50-Y226 HydrophobicContact CG1-CD1 4.09Å; V50-Y226 HydrophobicContact CG1-CE1 4.29Å
51	Q	98.6	Very high	96.3	Very high	27 Å²	27	68.5 Å²	68.5	13%	0.126	34%	0.337	C	S	.	.	H	α-helix	trans	-55.1	-43	175.9	-60.4	-176.8	24.7	0	0	111.7	A46 K47 L48 K53 H54 A55 L73 Y226	A46-Q51 PolarHBondContact O-NE2 3.37Å; K47-Q51 PolarHBondContact O-N 2.87Å; L48-Q51 WeakPolarHBondContact O-CB 3.44Å; L48-Q51 PolarHBondContact O-N 2.99Å; L48-Q51 VanDerWaalsContact O-N 3.13Å; Q51-K53 VanDerWaalsContact C-N 3.31Å; Q51-K53 PolarHBondContact O-N 2.93Å; Q51-H54 CarbonylContact O-C 3.56Å; Q51-H54 PolarHBondContact O-N 3.25Å; Q51-H54 VanDerWaalsContact O-N 3.11Å; Q51-A55 PolarHBondContact O-N 3.42Å; Q51-L73 HydrophobicContact CB-CD2 4.03Å; Q51-Y226 WeakPolarHBondContact CG-O 3.45Å
52	Y	98.4	Very high	96.6	Very high	85 Å²	85	66.7 Å²	66.7	33%	0.333	33%	0.329	S	S	.	.	H	α-helix	trans	-64.8	-29.2	176.8	-68.8	-32.9	0	0	0	114.9	L48 V50 H54 K72 L73 K90	L48-Y52 HydrophobicContact CD1-CD1 4.46Å; L48-Y52 HydrophobicContact CD1-CE1 3.87Å; L48-Y52 HydrophobicContact CD1-CE2 4.1Å; L48-Y52 HydrophobicContact CD2-CE2 3.92Å; L48-Y52 HydrophobicContact CG-CD2 4.17Å; L48-Y52 HydrophobicContact CG-CE1 4.28Å; L48-Y52 HydrophobicContact CG-CE2 3.58Å; L48-Y52 PolarHBondContact O-N 3.35Å; V50-Y52 VanDerWaalsContact C-N 3.27Å; V50-Y52 PolarHBondContact O-N 3.48Å; Y52-H54 VanDerWaalsContact C-N 3.32Å; Y52-K72 HydrophobicContact CD1-CB 4Å; Y52-K72 HydrophobicContact CE1-CB 3.91Å; Y52-L73 HydrophobicContact CD1-CD2 3.65Å; Y52-L73 HydrophobicContact CD1-CG 4.02Å; Y52-L73 HydrophobicContact CE1-CD1 4.32Å; Y52-L73 HydrophobicContact CE1-CD2 4.02Å; Y52-L73 HydrophobicContact CE1-CG 3.85Å; Y52-K90 PolarHBondContact O-NZ 3Å; Y52-K90 VanDerWaalsContact O-NZ 3.11Å
53	K	98.5	Very high	97.2	Very high	137 Å²	137	71.5 Å²	71.5	60%	0.596	35%	0.354	S	S	*	.	H	α-helix	trans	-68.6	-33.6	173.3	-68.9	174.4	-176.2	179.3	0	111.5	E49 V50 Q51 K90 V91	E49-K53 WeakPolarHBondContact O-CG 3.49Å; E49-K53 PolarHBondContact O-N 2.87Å; V50-K53 WeakPolarHBondContact O-CB 3.47Å; V50-K53 PolarHBondContact O-N 2.79Å; Q51-K53 VanDerWaalsContact C-N 3.31Å; Q51-K53 PolarHBondContact O-N 2.93Å; K53-K90 WeakPolarHBondContact O-CB 3.25Å; K53-V91 WeakPolarHBondContact O-CG2 3.27Å
54	H	98.7	Very high	97.6	Very high	31 Å²	31	70.4 Å²	70.4	14%	0.144	35%	0.349	C	S	.	.	H	α-helix	trans	-95.8	-2.5	-179.7	-69	-83.4	0	0	0	114.2	V50 Q51 Y52 Y93 M224 Y226	V50-H54 PolarHBondContact O-CD2 3.49Å; V50-H54 VanDerWaalsContact O-CD2 3.27Å; V50-H54 PolarHBondContact O-N 3.25Å; Q51-H54 CarbonylContact O-C 3.56Å; Q51-H54 PolarHBondContact O-N 3.25Å; Q51-H54 VanDerWaalsContact O-N 3.11Å; Y52-H54 VanDerWaalsContact C-N 3.32Å; H54-Y93 AromaticContact CE1-CE1 3.67Å; H54-Y93 AromaticContact ND1-CE1 3.59Å; H54-Y93 AromaticContact ND1-CZ 3.56Å; H54-Y93 PolarHBondContact ND1-OH 3.34Å; H54-M224 WeakPolarHBondContact O-CE 3.29Å; H54-Y226 HydrophobicContact CB-CD1 4.45Å; H54-Y226 HydrophobicContact CB-CD2 3.98Å; H54-Y226 HydrophobicContact CB-CG 3.77Å; H54-Y226 AromaticContact CD2-CD1 3.71Å; H54-Y226 AromaticContact CD2-CE1 3.92Å; H54-Y226 AromaticContact CD2-CG 3.89Å; H54-Y226 AromaticContact CG-CD2 3.86Å; H54-Y226 AromaticContact CG-CG 3.74Å; H54-Y226 AromaticContact NE2-CE1 3.92Å
55	A	98.8	Very high	98.1	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-62.3	177.7	-177.8	0	0	0	0	0	113.6	Q51 L73 G89 K90	Q51-A55 PolarHBondContact O-N 3.42Å; A55-L73 HydrophobicContact CB-CD2 3.8Å; A55-G89 WeakPolarHBondContact O-CA 3.33Å; A55-K90 WeakPolarHBondContact O-CG 3.46Å; A55-K90 PolarHBondContact O-N 3.49Å
56	W	98.9	Very high	98.3	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	141.9	172.2	-62.1	126.2	0	0	0	112.5	V67 L73 F75 I87 K90 I102 V213 I222 M224	W56-V67 HydrophobicContact CB-CG2 3.86Å; W56-L73 PolarHBondContact NE1-O 3.39Å; W56-F75 AromaticContact CD1-CD1 3.72Å; W56-F75 HydrophobicContact CD2-CD1 4.07Å; W56-F75 HydrophobicContact CD2-CE1 4.47Å; W56-F75 AromaticContact CE2-CD1 3.75Å; W56-F75 AromaticContact CE2-CE1 3.95Å; W56-F75 HydrophobicContact CG-CD1 4.06Å; W56-F75 HydrophobicContact CZ2-CD1 4.37Å; W56-F75 HydrophobicContact CZ2-CE1 4.1Å; W56-F75 AromaticContact NE1-CD1 3.5Å; W56-I87 HydrophobicContact CB-CD1 3.78Å; W56-I87 HydrophobicContact CB-CG1 4.2Å; W56-I87 HydrophobicContact CD2-CG2 4.18Å; W56-I87 HydrophobicContact CE3-CG1 4.27Å; W56-I87 HydrophobicContact CE3-CG2 3.99Å; W56-I87 HydrophobicContact CG-CD1 4.4Å; W56-I87 HydrophobicContact CZ3-CG2 4.41Å; W56-I87 WeakPolarHBondContact CZ3-O 3.39Å; W56-K90 VanDerWaalsContact O-CE 3.25Å; W56-K90 WeakPolarHBondContact O-CE 3.49Å; W56-I102 HydrophobicContact CH2-CD1 4Å; W56-I102 HydrophobicContact CZ2-CD1 3.82Å; W56-V213 HydrophobicContact CH2-CG1 3.93Å; W56-V213 HydrophobicContact CH2-CG2 4.14Å; W56-V213 HydrophobicContact CZ2-CG1 4.36Å; W56-V213 HydrophobicContact CZ2-CG2 4.35Å; W56-I222 HydrophobicContact CZ2-CG2 4.24Å; W56-I222 PolarHBondContact NE1-O 2.76Å; W56-I222 VanDerWaalsContact NE1-O 3.07Å; W56-M224 HydrophobicContact CD2-CB 4.24Å; W56-M224 HydrophobicContact CD2-CE 3.88Å; W56-M224 HydrophobicContact CE3-CE 3.73Å; W56-M224 HydrophobicContact CE3-SD 4.39Å; W56-M224 HydrophobicContact CG-CE 4.49Å; W56-M224 HydrophobicContact CH2-CB 4.18Å; W56-M224 HydrophobicContact CH2-CE 4.21Å; W56-M224 HydrophobicContact CH2-SD 3.8Å; W56-M224 HydrophobicContact CZ2-CB 3.5Å; W56-M224 VanDerWaalsContact CZ2-CB 3.5Å; W56-M224 HydrophobicContact CZ2-CE 4.41Å; W56-M224 HydrophobicContact CZ2-CG 4.32Å; W56-M224 HydrophobicContact CZ2-SD 4.12Å; W56-M224 HydrophobicContact CZ3-CE 3.89Å; W56-M224 HydrophobicContact CZ3-SD 3.97Å
57	N	98.8	Very high	98.4	Very high	32 Å²	32	67.2 Å²	67.2	17%	0.171	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	109.9	179.1	-170	-0.9	0	0	0	110.7	E59 D60 R88 K90	N57-E59 PolarHBondContact O-N 3.17Å; N57-E59 WeakPolarHBondContact OD1-CB 3.39Å; N57-E59 PolarHBondContact OD1-N 3.26Å; N57-E59 VanDerWaalsContact OD1-N 3.07Å; N57-D60 HydrophobicContact CB-CB 3.96Å; N57-D60 WeakPolarHBondContact ND2-CB 3.32Å; N57-D60 CarbonylContact O-C 3.39Å; N57-D60 PolarHBondContact O-N 3.44Å; N57-D60 VanDerWaalsContact O-N 3.13Å; N57-R88 WeakPolarHBondContact CB-O 3.38Å; N57-R88 PolarHBondContact N-O 2.56Å; N57-K90 HydrophobicContact CB-CB 4.44Å; N57-K90 HydrophobicContact CB-CG 3.69Å
58	N	97.9	Very high	98.5	Very high	75 Å²	75	61.1 Å²	61.1	40%	0.401	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-12.4	179.6	-158.8	40.8	0	0	0	113.3	R61 V67	N58-R61 WeakPolarHBondContact O-CD 3.21Å; N58-R61 PolarHBondContact O-NE 2.69Å; N58-R61 PolarHBondContact OD1-NE 2.84Å; N58-V67 HydrophobicContact CB-CB 4.17Å; N58-V67 HydrophobicContact CB-CG2 3.86Å; N58-V67 PolarHBondContact OD1-N 2.86Å
59	E	98.5	Very high	98.4	Very high	184 Å²	184	66 Å²	66	86%	0.86	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	-9.5	176.4	-59.8	175.3	176.5	0	0	112.6	N57	N57-E59 PolarHBondContact O-N 3.17Å; N57-E59 WeakPolarHBondContact OD1-CB 3.39Å; N57-E59 PolarHBondContact OD1-N 3.26Å; N57-E59 VanDerWaalsContact OD1-N 3.07Å
60	D	98.8	Very high	98.4	Very high	38 Å²	38	65.4 Å²	65.4	20%	0.203	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	72.5	-174.6	-170.5	22.5	0	0	0	110.8	N57 R88 L124	N57-D60 HydrophobicContact CB-CB 3.96Å; N57-D60 WeakPolarHBondContact ND2-CB 3.32Å; N57-D60 CarbonylContact O-C 3.39Å; N57-D60 PolarHBondContact O-N 3.44Å; N57-D60 VanDerWaalsContact O-N 3.13Å; D60-R88 PolarHBondContact O-N 3.31Å; D60-R88 VanDerWaalsContact O-N 3.11Å; D60-R88 IonicContact OD1-CZ 2.92Å; D60-R88 IonicContact OD1-NE 3.31Å; D60-R88 PolarHBondContact OD1-NE 3.06Å; D60-R88 IonicContact OD1-NH2 3.7Å; D60-R88 PolarHBondContact OD1-NH2 3.15Å; D60-R88 WeakPolarHBondContact OD2-CB 3.2Å; D60-R88 IonicContact OD2-CZ 3.35Å; D60-R88 IonicContact OD2-NE 3.26Å; D60-R88 PolarHBondContact OD2-NE 2.82Å; D60-R88 IonicContact OD2-NH2 2.79Å; D60-R88 PolarHBondContact OD2-NH2 3.35Å; D60-L124 VanDerWaalsContact C-CD1 3.44Å; D60-L124 WeakPolarHBondContact O-CD1 3.29Å; D60-L124 VanDerWaalsContact OD1-CD1 3.28Å; D60-L124 WeakPolarHBondContact OD1-CD1 3.33Å
61	R	98.8	Very high	98.4	Very high	69 Å²	69	64.9 Å²	64.9	26%	0.26	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	163	-169.9	61.2	172.3	179.6	75.6	-0.5	112.6	N58 I65 I87	N58-R61 WeakPolarHBondContact O-CD 3.21Å; N58-R61 PolarHBondContact O-NE 2.69Å; N58-R61 PolarHBondContact OD1-NE 2.84Å; R61-I65 WeakPolarHBondContact CD-O 3.44Å; R61-I65 PolarHBondContact NE-O 2.96Å; R61-I65 PolarHBondContact NH1-O 3.3Å; R61-I87 HydrophobicContact CB-CB 3.9Å; R61-I87 HydrophobicContact CB-CD1 3.71Å; R61-I87 HydrophobicContact CB-CG1 3.7Å
62	S	98.8	Very high	98.4	Very high	7 Å²	7	69.3 Å²	69.3	5%	0.049	33%	0.329	C	S	.	.			trans	-59.4	146.6	157.8	178.8	0	0	0	0	110.7	N64 I65 D85 C86 L124	S62-N64 PolarHBondContact O-N 2.66Å; S62-N64 PolarHBondContact OG-N 3.12Å; S62-I65 PolarHBondContact O-N 2.74Å; S62-D85 WeakPolarHBondContact CB-OD1 3.26Å; S62-D85 PolarHBondContact OG-OD1 3.43Å; S62-C86 PolarHBondContact N-O 3.43Å; S62-L124 WeakPolarHBondContact CB-O 3.31Å
63	L	98.5	Very high	98.4	Very high	150 Å²	150	65.4 Å²	65.4	79%	0.785	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.4	173.7	-64.5	179.1	0	0	0	112.9	I65	L63-I65 VanDerWaalsContact C-N 3.27Å; L63-I65 PolarHBondContact O-N 2.7Å
64	N	98.8	Very high	98.4	Very high	34 Å²	34	59 Å²	59	18%	0.182	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	1.4	178.4	-59	-34.1	0	0	0	113.7	S62 H78 V80 S83 D85	S62-N64 PolarHBondContact O-N 2.66Å; S62-N64 PolarHBondContact OG-N 3.12Å; N64-H78 PolarHBondContact O-N 3.11Å; N64-V80 HydrophobicContact CB-CG2 4.11Å; N64-S83 PolarHBondContact ND2-OG 2.9Å; N64-S83 VanDerWaalsContact ND2-OG 3.16Å; N64-D85 HydrophobicContact CB-CB 4.5Å; N64-D85 WeakPolarHBondContact CB-OD1 3.44Å; N64-D85 PolarHBondContact ND2-OD1 2.78Å
65	I	98.8	Very high	98.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.3	178.7	-75.3	173.2	0	0	0	108.4	R61 S62 L63 F75 H76 R77 D85 I87	R61-I65 WeakPolarHBondContact CD-O 3.44Å; R61-I65 PolarHBondContact NE-O 2.96Å; R61-I65 PolarHBondContact NH1-O 3.3Å; S62-I65 PolarHBondContact O-N 2.74Å; L63-I65 VanDerWaalsContact C-N 3.27Å; L63-I65 PolarHBondContact O-N 2.7Å; I65-F75 HydrophobicContact CB-CD2 4.37Å; I65-F75 HydrophobicContact CD1-CD2 4.15Å; I65-F75 HydrophobicContact CD1-CE2 3.75Å; I65-F75 HydrophobicContact CD1-CZ 4.25Å; I65-F75 HydrophobicContact CG1-CD2 4.1Å; I65-F75 HydrophobicContact CG1-CE2 4.07Å; I65-F75 HydrophobicContact CG2-CB 3.76Å; I65-F75 HydrophobicContact CG2-CD2 3.47Å; I65-F75 VanDerWaalsContact CG2-CD2 3.47Å; I65-F75 HydrophobicContact CG2-CE2 4.18Å; I65-F75 HydrophobicContact CG2-CG 3.73Å; I65-H76 CarbonylContact C-O 3.58Å; I65-H76 WeakPolarHBondContact CA-O 3.35Å; I65-R77 HydrophobicContact CG1-CB 4.08Å; I65-R77 HydrophobicContact CG1-CG 4.04Å; I65-D85 HydrophobicContact CD1-CB 3.59Å; I65-D85 HydrophobicContact CG1-CB 3.95Å; I65-I87 HydrophobicContact CD1-CB 4.49Å; I65-I87 HydrophobicContact CD1-CG2 4.32Å; I65-I87 HydrophobicContact CG2-CB 4.2Å; I65-I87 HydrophobicContact CG2-CD1 3.91Å; I65-I87 HydrophobicContact CG2-CG2 4.26Å
66	F	98.7	Very high	98.4	Very high	71 Å²	71	58.8 Å²	58.8	31%	0.311	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.7	165.8	63.2	-87.2	0	0	0	110.6	F75 H76 H78	F66-F75 CarbonylContact O-C 3.58Å; F66-F75 VanDerWaalsContact O-CA 3.24Å; F66-F75 WeakPolarHBondContact O-CA 3.13Å; F66-F75 WeakPolarHBondContact O-CB 3.44Å; F66-H76 HydrophobicContact CD1-CB 4.44Å; F66-H76 HydrophobicContact CD2-CB 4.5Å; F66-H76 HydrophobicContact CE1-CB 3.86Å; F66-H76 AromaticContact CE1-CD2 3.56Å; F66-H76 AromaticContact CE1-CG 3.97Å; F66-H76 HydrophobicContact CE2-CB 3.93Å; F66-H76 HydrophobicContact CZ-CB 3.58Å; F66-H76 AromaticContact CZ-CD2 3.74Å; F66-H76 AromaticContact CZ-CG 3.77Å; F66-H76 PolarHBondContact N-O 3.04Å; F66-H76 PolarHBondContact O-N 3.44Å; F66-H78 AromaticContact CD1-CE1 3.73Å; F66-H78 AromaticContact CD1-NE2 3.51Å; F66-H78 AromaticContact CE1-CE1 3.43Å; F66-H78 VanDerWaalsContact CE1-CE1 3.43Å; F66-H78 WeakPolarHBondContact CE1-CE1 3.36Å; F66-H78 AromaticContact CE1-ND1 4Å; F66-H78 AromaticContact CE1-NE2 3.73Å
67	V	98.8	Very high	98.4	Very high	19 Å²	19	58.7 Å²	58.7	12%	0.115	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	132.6	171.3	-178.7	0	0	0	0	108.6	W56 N58 I87	W56-V67 HydrophobicContact CB-CG2 3.86Å; N58-V67 HydrophobicContact CB-CB 4.17Å; N58-V67 HydrophobicContact CB-CG2 3.86Å; N58-V67 PolarHBondContact OD1-N 2.86Å; V67-I87 HydrophobicContact CG2-CD1 3.83Å
68	K	98.6	Very high	98.4	Very high	37 Å²	37	61 Å²	61	16%	0.161	30%	0.295	C	S	.	.			trans	-67.4	142	-178	-63.4	178.4	68	176	0	110.8	D70 D71 T74 H76 E221	K68-D70 WeakPolarHBondContact CB-OD1 3.44Å; K68-D70 WeakPolarHBondContact CE-OD1 3.5Å; K68-D71 CarbonylContact O-C 3.49Å; K68-T74 HydrophobicContact CD-CG2 3.82Å; K68-T74 PolarHBondContact N-O 3.45Å; K68-H76 HydrophobicContact CG-CB 4.28Å; K68-E221 IonicContact NZ-OE1 2.96Å; K68-E221 PolarHBondContact NZ-OE1 3.1Å; K68-E221 IonicContact NZ-OE2 3.95Å; K68-E221 PolarHBondContact NZ-OE2 2.94Å
69	E	96.1	Very high	98.4	Very high	190 Å²	190	61.1 Å²	61.1	89%	0.888	30%	0.3	S	S	*	.	S	Bend	trans	-73.6	-37.2	-179	-65.6	-174.7	173.3	0	0	112.2
70	D	96.8	Very high	98.4	Very high	134 Å²	134	54.8 Å²	54.8	72%	0.717	27%	0.274	S	S	*	.	S	Bend	trans	-78.9	-25.5	178.6	62.7	-39.7	0	0	0	113.1	K68	K68-D70 WeakPolarHBondContact CB-OD1 3.44Å; K68-D70 WeakPolarHBondContact CE-OD1 3.5Å
71	D	97.9	Very high	98.3	Very high	40 Å²	40	56.5 Å²	56.5	21%	0.214	29%	0.293	C	S	.	.			trans	-136.3	92.9	174.9	-178	7.5	0	0	0	112.2	K68 L73 T74	K68-D71 CarbonylContact O-C 3.49Å; D71-L73 PolarHBondContact O-N 2.89Å; D71-L73 WeakPolarHBondContact OD1-CB 3.31Å; D71-L73 PolarHBondContact OD1-N 2.78Å; D71-T74 PolarHBondContact O-N 2.78Å; D71-T74 VanDerWaalsContact O-O 3.13Å; D71-T74 VanDerWaalsContact OD2-CB 3.27Å; D71-T74 WeakPolarHBondContact OD2-CB 3.32Å; D71-T74 PolarHBondContact OD2-OG1 2.96Å
72	K	97.9	Very high	98.3	Very high	120 Å²	120	58.7 Å²	58.7	52%	0.522	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-7.4	-178.2	-61	-176.7	-179	-179.8	0	114.4	Y52	Y52-K72 HydrophobicContact CD1-CB 4Å; Y52-K72 HydrophobicContact CE1-CB 3.91Å
73	L	98.7	Very high	98.3	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-9.5	175.6	-58	174.3	0	0	0	111.9	L48 Q51 Y52 A55 W56 D71 T223 M224 R225	L48-L73 HydrophobicContact CD1-CD1 4.04Å; Q51-L73 HydrophobicContact CB-CD2 4.03Å; Y52-L73 HydrophobicContact CD1-CD2 3.65Å; Y52-L73 HydrophobicContact CD1-CG 4.02Å; Y52-L73 HydrophobicContact CE1-CD1 4.32Å; Y52-L73 HydrophobicContact CE1-CD2 4.02Å; Y52-L73 HydrophobicContact CE1-CG 3.85Å; A55-L73 HydrophobicContact CB-CD2 3.8Å; W56-L73 PolarHBondContact NE1-O 3.39Å; D71-L73 PolarHBondContact O-N 2.89Å; D71-L73 WeakPolarHBondContact OD1-CB 3.31Å; D71-L73 PolarHBondContact OD1-N 2.78Å; L73-T223 HydrophobicContact CB-CG2 3.82Å; L73-T223 CarbonylContact O-C 3.59Å; L73-T223 WeakPolarHBondContact O-CA 3.37Å; L73-M224 PolarHBondContact O-N 3.22Å; L73-R225 HydrophobicContact CD1-CG 4.2Å
74	T	98.9	Very high	98.3	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.1	-173.1	-59.8	0	0	0	0	110.6	K68 D71 E221 I222 T223	K68-T74 HydrophobicContact CD-CG2 3.82Å; K68-T74 PolarHBondContact N-O 3.45Å; D71-T74 PolarHBondContact O-N 2.78Å; D71-T74 VanDerWaalsContact O-O 3.13Å; D71-T74 VanDerWaalsContact OD2-CB 3.27Å; D71-T74 WeakPolarHBondContact OD2-CB 3.32Å; D71-T74 PolarHBondContact OD2-OG1 2.96Å; T74-E221 HydrophobicContact CG2-CB 3.81Å; T74-I222 WeakPolarHBondContact CA-O 3.49Å; T74-T223 VanDerWaalsContact OG1-CB 3.31Å; T74-T223 WeakPolarHBondContact OG1-CB 3.3Å; T74-T223 WeakPolarHBondContact OG1-CG2 3.48Å; T74-T223 PolarHBondContact OG1-OG1 3.2Å
75	F	98.9	Very high	98.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	157	166.3	76.8	-102	0	0	0	111	W56 I65 F66 R77 I87 V213 E221 I222	W56-F75 AromaticContact CD1-CD1 3.72Å; W56-F75 HydrophobicContact CD2-CD1 4.07Å; W56-F75 HydrophobicContact CD2-CE1 4.47Å; W56-F75 AromaticContact CE2-CD1 3.75Å; W56-F75 AromaticContact CE2-CE1 3.95Å; W56-F75 HydrophobicContact CG-CD1 4.06Å; W56-F75 HydrophobicContact CZ2-CD1 4.37Å; W56-F75 HydrophobicContact CZ2-CE1 4.1Å; W56-F75 AromaticContact NE1-CD1 3.5Å; I65-F75 HydrophobicContact CB-CD2 4.37Å; I65-F75 HydrophobicContact CD1-CD2 4.15Å; I65-F75 HydrophobicContact CD1-CE2 3.75Å; I65-F75 HydrophobicContact CD1-CZ 4.25Å; I65-F75 HydrophobicContact CG1-CD2 4.1Å; I65-F75 HydrophobicContact CG1-CE2 4.07Å; I65-F75 HydrophobicContact CG2-CB 3.76Å; I65-F75 HydrophobicContact CG2-CD2 3.47Å; I65-F75 VanDerWaalsContact CG2-CD2 3.47Å; I65-F75 HydrophobicContact CG2-CE2 4.18Å; I65-F75 HydrophobicContact CG2-CG 3.73Å; F66-F75 CarbonylContact O-C 3.58Å; F66-F75 VanDerWaalsContact O-CA 3.24Å; F66-F75 WeakPolarHBondContact O-CA 3.13Å; F66-F75 WeakPolarHBondContact O-CB 3.44Å; F75-R77 HydrophobicContact CE2-CB 4.49Å; F75-I87 HydrophobicContact CB-CD1 4.35Å; F75-I87 HydrophobicContact CD1-CG2 3.37Å; F75-I87 HydrophobicContact CD2-CG2 4.46Å; F75-I87 HydrophobicContact CE1-CG2 3.28Å; F75-I87 HydrophobicContact CE2-CG2 4.42Å; F75-I87 HydrophobicContact CG-CG2 3.96Å; F75-I87 HydrophobicContact CZ-CG2 3.84Å; F75-V213 HydrophobicContact CE1-CG2 3.49Å; F75-V213 VanDerWaalsContact CE1-CG2 3.49Å; F75-V213 HydrophobicContact CZ-CG2 3.56Å; F75-E221 VanDerWaalsContact O-CA 3.23Å; F75-E221 WeakPolarHBondContact O-CA 3.45Å; F75-I222 HydrophobicContact CD1-CB 4.21Å; F75-I222 HydrophobicContact CE1-CB 3.63Å; F75-I222 HydrophobicContact CE1-CD1 4.11Å; F75-I222 HydrophobicContact CE1-CG1 4.37Å; F75-I222 HydrophobicContact CE1-CG2 4.15Å; F75-I222 HydrophobicContact CE2-CB 4.48Å; F75-I222 HydrophobicContact CE2-CD1 3.56Å; F75-I222 HydrophobicContact CZ-CB 3.8Å; F75-I222 HydrophobicContact CZ-CD1 3.33Å; F75-I222 HydrophobicContact CZ-CG1 4.05Å; F75-I222 PolarHBondContact N-O 3.44Å; F75-I222 PolarHBondContact O-N 2.79Å; F75-I222 VanDerWaalsContact O-N 3.16Å
76	H	98.9	Very high	98.3	Very high	26 Å²	26	49.7 Å²	49.7	12%	0.12	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.6	171.5	-175.3	102.2	0	0	0	109.7	I65 F66 K68 H219 C220 E221	I65-H76 CarbonylContact C-O 3.58Å; I65-H76 WeakPolarHBondContact CA-O 3.35Å; F66-H76 HydrophobicContact CD1-CB 4.44Å; F66-H76 HydrophobicContact CD2-CB 4.5Å; F66-H76 HydrophobicContact CE1-CB 3.86Å; F66-H76 AromaticContact CE1-CD2 3.56Å; F66-H76 AromaticContact CE1-CG 3.97Å; F66-H76 HydrophobicContact CE2-CB 3.93Å; F66-H76 HydrophobicContact CZ-CB 3.58Å; F66-H76 AromaticContact CZ-CD2 3.74Å; F66-H76 AromaticContact CZ-CG 3.77Å; F66-H76 PolarHBondContact N-O 3.04Å; F66-H76 PolarHBondContact O-N 3.44Å; K68-H76 HydrophobicContact CG-CB 4.28Å; H76-H219 AromaticContact CE1-ND1 3.66Å; H76-H219 AromaticContact NE2-CG 4Å; H76-H219 AromaticContact NE2-ND1 3.24Å; H76-H219 PolarHBondContact NE2-ND1 2.75Å; H76-C220 WeakPolarHBondContact CA-O 3.18Å; H76-E221 HydrophobicContact CB-CG 4.29Å; H76-E221 IonicContact CE1-OE1 3.79Å; H76-E221 IonicContact CG-OE1 2.84Å; H76-E221 IonicContact ND1-OE1 3.21Å; H76-E221 PolarHBondContact ND1-OE1 2.83Å
77	R	98.9	Very high	98.3	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.1	174.8	-175.4	-178.9	170.3	-78.5	-11	111.4	I65 F75 V80 S83 D85 A215 V216 W217 H219 C220	I65-R77 HydrophobicContact CG1-CB 4.08Å; I65-R77 HydrophobicContact CG1-CG 4.04Å; F75-R77 HydrophobicContact CE2-CB 4.49Å; R77-V80 PolarHBondContact NH2-O 3.18Å; R77-S83 PolarHBondContact NH2-O 3.31Å; R77-D85 IonicContact CZ-OD2 3.44Å; R77-D85 IonicContact NE-OD2 2.72Å; R77-D85 PolarHBondContact NE-OD2 2.78Å; R77-D85 IonicContact NH2-OD2 3.47Å; R77-D85 PolarHBondContact NH2-OD2 2.88Å; R77-A215 PolarHBondContact NE-O 2.97Å; R77-V216 VanDerWaalsContact NH1-C 3.35Å; R77-V216 PolarHBondContact NH1-O 2.78Å; R77-W217 WeakPolarHBondContact CD-O 3.42Å; R77-W217 PolarHBondContact NH1-O 2.95Å; R77-H219 VanDerWaalsContact O-CA 3.27Å; R77-H219 WeakPolarHBondContact O-CA 3.4Å; R77-H219 PolarHBondContact O-N 2.84Å; R77-C220 VanDerWaalsContact CB-SG 3.53Å; R77-C220 PolarHBondContact N-O 3.02Å
78	H	98.7	Very high	98.3	Very high	80 Å²	80	46 Å²	46	37%	0.37	24%	0.241	S	C	.	.			trans	-61.5	148.7	172.3	-70.1	-58.4	0	0	0	111.9	N64 F66 V80	N64-H78 PolarHBondContact O-N 3.11Å; F66-H78 AromaticContact CD1-CE1 3.73Å; F66-H78 AromaticContact CD1-NE2 3.51Å; F66-H78 AromaticContact CE1-CE1 3.43Å; F66-H78 VanDerWaalsContact CE1-CE1 3.43Å; F66-H78 WeakPolarHBondContact CE1-CE1 3.36Å; F66-H78 AromaticContact CE1-ND1 4Å; F66-H78 AromaticContact CE1-NE2 3.73Å; H78-V80 HydrophobicContact CB-CG2 3.97Å; H78-V80 PolarHBondContact O-N 3.36Å
79	P	98.3	Very high	98.4	Very high	77 Å²	77	44.3 Å²	44.3	50%	0.5	23%	0.233	S	C	.	.			trans	-77.1	61.1	-178	35.6	-39.3	0	0	0	112.3	H219	P79-H219 WeakPolarHBondContact CG-NE2 3.49Å
80	V	98.4	Very high	98.5	Very high	52 Å²	52	39.7 Å²	39.7	32%	0.315	21%	0.21	S	C	.	.			trans	-87.2	121.8	179.9	-173.6	0	0	0	0	109.7	N64 R77 H78	N64-V80 HydrophobicContact CB-CG2 4.11Å; R77-V80 PolarHBondContact NH2-O 3.18Å; H78-V80 HydrophobicContact CB-CG2 3.97Å; H78-V80 PolarHBondContact O-N 3.36Å
81	A	97.4	Very high	98.6	Very high	73 Å²	73	35.4 Å²	35.4	60%	0.603	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	151.3	177.9	0	0	0	0	0	111.6	S83	A81-S83 VanDerWaalsContact C-N 3.26Å; A81-S83 PolarHBondContact O-N 3.21Å
82	Q	97.8	Very high	98.6	Very high	115 Å²	115	34.1 Å²	34.1	54%	0.537	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	47	177.7	-62.8	-61.9	-37.1	0	0	112.8	G128 Y129	Q82-G128 PolarHBondContact O-N 2.98Å; Q82-Y129 VanDerWaalsContact N-CZ 3.3Å; Q82-Y129 PolarHBondContact N-OH 3.02Å; Q82-Y129 VanDerWaalsContact N-OH 3.08Å
83	S	98.6	Very high	98.6	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	137.9	-177.8	178.3	0	0	0	0	110.1	N64 R77 A81 D85 H125 G128	N64-S83 PolarHBondContact ND2-OG 2.9Å; N64-S83 VanDerWaalsContact ND2-OG 3.16Å; R77-S83 PolarHBondContact NH2-O 3.31Å; A81-S83 VanDerWaalsContact C-N 3.26Å; A81-S83 PolarHBondContact O-N 3.21Å; S83-D85 PolarHBondContact OG-OD1 3.45Å; S83-D85 PolarHBondContact OG-OD2 3.05Å; S83-H125 PolarHBondContact OG-CE1 3.35Å; S83-H125 PolarHBondContact OG-ND1 3.42Å; S83-G128 CarbonylContact C-O 3.48Å; S83-G128 VanDerWaalsContact C-O 3.32Å
84	T	98.8	Very high	98.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131	169.2	-55.4	0	0	0	0	108.5	H125 S126 G128 Y129 T130 L132 V216	T84-H125 WeakPolarHBondContact O-CA 3.33Å; T84-H125 PolarHBondContact O-ND1 3.32Å; T84-S126 PolarHBondContact N-O 3.19Å; T84-S126 PolarHBondContact O-N 3.23Å; T84-G128 PolarHBondContact N-O 3.35Å; T84-G128 PolarHBondContact OG1-O 3.33Å; T84-Y129 WeakPolarHBondContact OG1-CA 3.4Å; T84-T130 WeakPolarHBondContact CG2-O 3.35Å; T84-T130 PolarHBondContact OG1-N 3.49Å; T84-T130 PolarHBondContact OG1-OG1 3.34Å; T84-L132 HydrophobicContact CG2-CB 3.57Å; T84-L132 HydrophobicContact CG2-CD2 4.15Å; T84-V216 HydrophobicContact CG2-CG1 4Å; T84-V216 WeakPolarHBondContact OG1-CG1 3.42Å
85	D	98.9	Very high	98.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.9	-169.5	-58.3	-72.2	0	0	0	111.1	S62 N64 I65 R77 S83 H125 S214 A215	S62-D85 WeakPolarHBondContact CB-OD1 3.26Å; S62-D85 PolarHBondContact OG-OD1 3.43Å; N64-D85 HydrophobicContact CB-CB 4.5Å; N64-D85 WeakPolarHBondContact CB-OD1 3.44Å; N64-D85 PolarHBondContact ND2-OD1 2.78Å; I65-D85 HydrophobicContact CD1-CB 3.59Å; I65-D85 HydrophobicContact CG1-CB 3.95Å; R77-D85 IonicContact CZ-OD2 3.44Å; R77-D85 IonicContact NE-OD2 2.72Å; R77-D85 PolarHBondContact NE-OD2 2.78Å; R77-D85 IonicContact NH2-OD2 3.47Å; R77-D85 PolarHBondContact NH2-OD2 2.88Å; S83-D85 PolarHBondContact OG-OD1 3.45Å; S83-D85 PolarHBondContact OG-OD2 3.05Å; D85-H125 IonicContact OD1-CE1 2.71Å; D85-H125 IonicContact OD1-ND1 3.39Å; D85-H125 PolarHBondContact OD1-ND1 2.8Å; D85-S214 WeakPolarHBondContact O-CA 3.47Å; D85-A215 PolarHBondContact N-O 2.85Å; D85-A215 PolarHBondContact O-N 2.84Å
86	C	98.9	Very high	98.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	164.5	178.8	-50.3	0	0	0	0	112	S62 L124 L132 I212 V213 S214	S62-C86 PolarHBondContact N-O 3.43Å; C86-L124 HydrophobicContact CB-CB 4.1Å; C86-L124 HydrophobicContact CB-CD2 3.67Å; C86-L124 PolarHBondContact N-O 2.97Å; C86-L132 VanDerWaalsContact SG-CD2 3.52Å; C86-I212 HydrophobicContact CB-CD1 4.02Å; C86-I212 HydrophobicContact CB-CG1 4.1Å; C86-V213 WeakPolarHBondContact CA-O 3.34Å; C86-V213 WeakPolarHBondContact CB-O 3.49Å; C86-S214 WeakPolarHBondContact SG-CB 3.49Å
87	I	98.9	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	140.3	169.6	177.9	161.8	0	0	0	108.7	W56 R61 I65 V67 F75 V213	W56-I87 HydrophobicContact CB-CD1 3.78Å; W56-I87 HydrophobicContact CB-CG1 4.2Å; W56-I87 HydrophobicContact CD2-CG2 4.18Å; W56-I87 HydrophobicContact CE3-CG1 4.27Å; W56-I87 HydrophobicContact CE3-CG2 3.99Å; W56-I87 HydrophobicContact CG-CD1 4.4Å; W56-I87 HydrophobicContact CZ3-CG2 4.41Å; W56-I87 WeakPolarHBondContact CZ3-O 3.39Å; R61-I87 HydrophobicContact CB-CB 3.9Å; R61-I87 HydrophobicContact CB-CD1 3.71Å; R61-I87 HydrophobicContact CB-CG1 3.7Å; I65-I87 HydrophobicContact CD1-CB 4.49Å; I65-I87 HydrophobicContact CD1-CG2 4.32Å; I65-I87 HydrophobicContact CG2-CB 4.2Å; I65-I87 HydrophobicContact CG2-CD1 3.91Å; I65-I87 HydrophobicContact CG2-CG2 4.26Å; V67-I87 HydrophobicContact CG2-CD1 3.83Å; F75-I87 HydrophobicContact CB-CD1 4.35Å; F75-I87 HydrophobicContact CD1-CG2 3.37Å; F75-I87 HydrophobicContact CD2-CG2 4.46Å; F75-I87 HydrophobicContact CE1-CG2 3.28Å; F75-I87 HydrophobicContact CE2-CG2 4.42Å; F75-I87 HydrophobicContact CG-CG2 3.96Å; F75-I87 HydrophobicContact CZ-CG2 3.84Å; I87-V213 HydrophobicContact CG2-CG2 4.37Å
88	R	98.9	Very high	98.3	Very high	13 Å²	13	39 Å²	39	5%	0.049	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	154.3	176	-83.6	-176.5	-73.2	-107.5	2	111.9	N57 D60 S118 T119 A120 A122 L124 P211 I212	N57-R88 WeakPolarHBondContact CB-O 3.38Å; N57-R88 PolarHBondContact N-O 2.56Å; D60-R88 PolarHBondContact O-N 3.31Å; D60-R88 VanDerWaalsContact O-N 3.11Å; D60-R88 IonicContact OD1-CZ 2.92Å; D60-R88 IonicContact OD1-NE 3.31Å; D60-R88 PolarHBondContact OD1-NE 3.06Å; D60-R88 IonicContact OD1-NH2 3.7Å; D60-R88 PolarHBondContact OD1-NH2 3.15Å; D60-R88 WeakPolarHBondContact OD2-CB 3.2Å; D60-R88 IonicContact OD2-CZ 3.35Å; D60-R88 IonicContact OD2-NE 3.26Å; D60-R88 PolarHBondContact OD2-NE 2.82Å; D60-R88 IonicContact OD2-NH2 2.79Å; D60-R88 PolarHBondContact OD2-NH2 3.35Å; R88-S118 WeakPolarHBondContact CD-OG 3.49Å; R88-T119 PolarHBondContact NH1-O 3.23Å; R88-T119 VanDerWaalsContact NH1-O 3.17Å; R88-A120 VanDerWaalsContact CZ-O 3.24Å; R88-A120 PolarHBondContact NH1-O 3.04Å; R88-A120 VanDerWaalsContact NH1-O 3.13Å; R88-A120 PolarHBondContact NH2-O 2.92Å; R88-A122 PolarHBondContact NH1-O 2.9Å; R88-L124 HydrophobicContact CG-CD2 4.17Å; R88-P211 CarbonylContact C-O 3.37Å; R88-P211 VanDerWaalsContact CA-O 3.25Å; R88-P211 WeakPolarHBondContact CA-O 3.31Å; R88-I212 HydrophobicContact CG-CB 4.17Å; R88-I212 HydrophobicContact CG-CD1 3.97Å; R88-I212 HydrophobicContact CG-CG1 4.11Å
89	G	98.8	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	156.7	164.2	0	0	0	0	0	111.5	A55 V91 Y210 P211	A55-G89 WeakPolarHBondContact O-CA 3.33Å; G89-V91 VanDerWaalsContact C-N 3.34Å; G89-V91 PolarHBondContact O-N 3.32Å; G89-Y210 WeakPolarHBondContact O-CD1 3.28Å; G89-P211 PolarHBondContact N-O 2.86Å
90	K	98.8	Very high	98.4	Very high	93 Å²	93	31.6 Å²	31.6	40%	0.404	17%	0.168	S	C	.	.	S	Bend	trans	-66.7	-32.5	-179.3	-70.5	171.2	-174.3	172.4	0	113.9	Y52 K53 A55 W56 N57	Y52-K90 PolarHBondContact O-NZ 3Å; Y52-K90 VanDerWaalsContact O-NZ 3.11Å; K53-K90 WeakPolarHBondContact O-CB 3.25Å; A55-K90 WeakPolarHBondContact O-CG 3.46Å; A55-K90 PolarHBondContact O-N 3.49Å; W56-K90 VanDerWaalsContact O-CE 3.25Å; W56-K90 WeakPolarHBondContact O-CE 3.49Å; N57-K90 HydrophobicContact CB-CB 4.44Å; N57-K90 HydrophobicContact CB-CG 3.69Å
91	V	98.8	Very high	98.4	Very high	45 Å²	45	31.9 Å²	31.9	27%	0.273	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-102.3	125.4	-174.1	179.7	0	0	0	0	109.9	K53 G89 Y93 Y210	K53-V91 WeakPolarHBondContact O-CG2 3.27Å; G89-V91 VanDerWaalsContact C-N 3.34Å; G89-V91 PolarHBondContact O-N 3.32Å; V91-Y93 HydrophobicContact CB-CE1 4.32Å; V91-Y93 HydrophobicContact CG1-CD1 3.92Å; V91-Y93 HydrophobicContact CG1-CE1 3.71Å; V91-Y210 VanDerWaalsContact C-CD1 3.5Å
92	G	98.6	Very high	98.5	Very high	12 Å²	12	28.5 Å²	28.5	12%	0.124	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-97.7	120.3	168.8	0	0	0	0	0	109.9	K208 L209 Y210	G92-K208 WeakPolarHBondContact O-CE 3.41Å; G92-L209 CarbonylContact C-O 3.6Å; G92-L209 WeakPolarHBondContact CA-O 3.44Å; G92-Y210 VanDerWaalsContact N-CD1 3.28Å
93	Y	98.6	Very high	98.5	Very high	9 Å²	9	26 Å²	26	4%	0.035	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-87.4	139.1	-175.9	-52.9	-74.6	0	0	0	111.1	H54 V91 H98 W100 L181 K208 L209 P211 Y226	H54-Y93 AromaticContact CE1-CE1 3.67Å; H54-Y93 AromaticContact ND1-CE1 3.59Å; H54-Y93 AromaticContact ND1-CZ 3.56Å; H54-Y93 PolarHBondContact ND1-OH 3.34Å; V91-Y93 HydrophobicContact CB-CE1 4.32Å; V91-Y93 HydrophobicContact CG1-CD1 3.92Å; V91-Y93 HydrophobicContact CG1-CE1 3.71Å; Y93-H98 HydrophobicContact CD1-CB 4.34Å; Y93-H98 AromaticContact CD1-CD2 3.39Å; Y93-H98 WeakPolarHBondContact CD1-CD2 3.39Å; Y93-H98 AromaticContact CD1-CE1 3.42Å; Y93-H98 VanDerWaalsContact CD1-CE1 3.42Å; Y93-H98 WeakPolarHBondContact CD1-CE1 3.41Å; Y93-H98 AromaticContact CD1-CG 3.49Å; Y93-H98 VanDerWaalsContact CD1-CG 3.49Å; Y93-H98 AromaticContact CD1-ND1 3.51Å; Y93-H98 AromaticContact CD1-NE2 3.32Å; Y93-H98 VanDerWaalsContact CD1-NE2 3.32Å; Y93-H98 WeakPolarHBondContact CD1-NE2 3.29Å; Y93-H98 HydrophobicContact CE1-CB 4.25Å; Y93-H98 AromaticContact CE1-CE1 3.73Å; Y93-H98 AromaticContact CE1-CG 3.64Å; Y93-H98 AromaticContact CE1-ND1 3.43Å; Y93-H98 WeakPolarHBondContact CE1-ND1 3.46Å; Y93-H98 HydrophobicContact CE2-CB 4.5Å; Y93-H98 HydrophobicContact CG-CB 4.48Å; Y93-H98 AromaticContact CG-CD2 3.59Å; Y93-H98 AromaticContact CG-CG 3.9Å; Y93-H98 AromaticContact CG-NE2 3.89Å; Y93-W100 HydrophobicContact CD2-CZ3 4.29Å; Y93-W100 HydrophobicContact CE2-CE3 4.3Å; Y93-W100 HydrophobicContact CE2-CH2 4.45Å; Y93-W100 AromaticContact CE2-CZ3 3.84Å; Y93-W100 HydrophobicContact CE2-CZ3 3.84Å; Y93-L181 HydrophobicContact CD2-CD2 3.87Å; Y93-L181 HydrophobicContact CG-CD2 4.33Å; Y93-K208 WeakPolarHBondContact O-CA 3.41Å; Y93-L209 WeakPolarHBondContact CD2-O 3.17Å; Y93-L209 PolarHBondContact N-O 2.91Å; Y93-L209 PolarHBondContact O-N 2.99Å; Y93-P211 HydrophobicContact CE2-CG 3.82Å; Y93-Y226 HydrophobicContact CE1-CE2 4.14Å; Y93-Y226 AromaticContact CZ-CE2 3.93Å; Y93-Y226 VanDerWaalsContact OH-CD2 3.28Å; Y93-Y226 WeakPolarHBondContact OH-CD2 3.42Å; Y93-Y226 WeakPolarHBondContact OH-CE2 3.27Å
94	T	97.9	Very high	98.5	Very high	83 Å²	83	25.8 Å²	25.8	51%	0.509	12%	0.124	S	C	.	.			trans	-124.7	-14.8	-178.8	53.1	0	0	0	0	113.7	K208	T94-K208 HydrophobicContact CG2-CB 3.73Å; T94-K208 HydrophobicContact CG2-CD 4.3Å; T94-K208 HydrophobicContact CG2-CG 3.74Å
95	R	96.7	Very high	98.5	Very high	139 Å²	139	27.1 Å²	27.1	53%	0.525	13%	0.133	S	C	.	.	S	Bend	trans	-156.6	166.2	-178.1	69.2	-179.9	-161.8	-168.5	5	108.9	H98 M183 D231 P232	R95-H98 PolarHBondContact O-NE2 3.14Å; R95-M183 VanDerWaalsContact CA-CB 3.48Å; R95-D231 IonicContact CZ-OD1 2.75Å; R95-D231 IonicContact NE-OD1 2.8Å; R95-D231 PolarHBondContact NE-OD1 3.04Å; R95-D231 IonicContact NH2-OD1 3.81Å; R95-D231 PolarHBondContact NH2-OD1 2.94Å; R95-P232 HydrophobicContact CB-CG 4.47Å
96	G	96.6	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	82.2	171	176.2	0	0	0	0	0	114.1	M183 D184 L230	G96-M183 WeakPolarHBondContact O-CB 3.42Å; G96-M183 PolarHBondContact O-N 2.97Å; G96-D184 WeakPolarHBondContact CA-OD1 3.42Å; G96-D184 VanDerWaalsContact CA-OD2 3.31Å; G96-D184 WeakPolarHBondContact CA-OD2 3.35Å; G96-D184 PolarHBondContact N-OD1 3.13Å; G96-L230 CarbonylContact C-O 3.53Å; G96-L230 WeakPolarHBondContact CA-O 3.1Å
97	L	97.9	Very high	98.3	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.1	171.6	176.4	68.3	0	0	0	109.1	R36 L37 L40 V180 L181 D182 G229 L230	R36-L97 HydrophobicContact CB-CD2 3.94Å; L37-L97 HydrophobicContact CB-CD2 4.25Å; L40-L97 HydrophobicContact CB-CD2 4.39Å; L40-L97 HydrophobicContact CD1-CB 4.35Å; L40-L97 HydrophobicContact CD1-CD2 3.8Å; L40-L97 HydrophobicContact CD1-CG 3.75Å; L97-V180 HydrophobicContact CD1-CG1 3.68Å; L97-L181 CarbonylContact C-O 3.51Å; L97-L181 WeakPolarHBondContact CA-O 3.43Å; L97-D182 HydrophobicContact CD1-CB 3.71Å; L97-G229 CarbonylContact O-C 3.53Å; L97-G229 WeakPolarHBondContact O-CA 3.37Å; L97-L230 HydrophobicContact CB-CB 4.37Å; L97-L230 PolarHBondContact N-O 3.2Å; L97-L230 PolarHBondContact O-N 3.07Å
98	H	98.6	Very high	98.3	Very high	22 Å²	22	43.1 Å²	43.1	10%	0.102	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.2	-178.3	-62.9	-73.9	0	0	0	110.7	Y93 R95 W100 L181 Y226	Y93-H98 HydrophobicContact CD1-CB 4.34Å; Y93-H98 AromaticContact CD1-CD2 3.39Å; Y93-H98 WeakPolarHBondContact CD1-CD2 3.39Å; Y93-H98 AromaticContact CD1-CE1 3.42Å; Y93-H98 VanDerWaalsContact CD1-CE1 3.42Å; Y93-H98 WeakPolarHBondContact CD1-CE1 3.41Å; Y93-H98 AromaticContact CD1-CG 3.49Å; Y93-H98 VanDerWaalsContact CD1-CG 3.49Å; Y93-H98 AromaticContact CD1-ND1 3.51Å; Y93-H98 AromaticContact CD1-NE2 3.32Å; Y93-H98 VanDerWaalsContact CD1-NE2 3.32Å; Y93-H98 WeakPolarHBondContact CD1-NE2 3.29Å; Y93-H98 HydrophobicContact CE1-CB 4.25Å; Y93-H98 AromaticContact CE1-CE1 3.73Å; Y93-H98 AromaticContact CE1-CG 3.64Å; Y93-H98 AromaticContact CE1-ND1 3.43Å; Y93-H98 WeakPolarHBondContact CE1-ND1 3.46Å; Y93-H98 HydrophobicContact CE2-CB 4.5Å; Y93-H98 HydrophobicContact CG-CB 4.48Å; Y93-H98 AromaticContact CG-CD2 3.59Å; Y93-H98 AromaticContact CG-CG 3.9Å; Y93-H98 AromaticContact CG-NE2 3.89Å; R95-H98 PolarHBondContact O-NE2 3.14Å; H98-W100 HydrophobicContact CB-CE3 4.42Å; H98-W100 HydrophobicContact CB-CZ3 4.1Å; H98-L181 PolarHBondContact N-O 3.11Å; H98-L181 PolarHBondContact O-N 3.17Å; H98-Y226 HydrophobicContact CB-CE2 4.25Å; H98-Y226 AromaticContact ND1-CZ 3.93Å; H98-Y226 PolarHBondContact ND1-OH 2.84Å
99	V	98.8	Very high	98.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133	176.8	-176.8	0	0	0	0	110.1	L37 L40 L41 L178 V179 V180 I227 N228	L37-V99 HydrophobicContact CD1-CG2 3.59Å; L40-V99 HydrophobicContact CD1-CG2 3.93Å; L40-V99 HydrophobicContact CD2-CB 3.8Å; L40-V99 HydrophobicContact CD2-CG2 3.59Å; L40-V99 HydrophobicContact CG-CG2 4.42Å; L41-V99 HydrophobicContact CD2-CG1 4.16Å; V99-L178 HydrophobicContact CG1-CB 4.22Å; V99-L178 HydrophobicContact CG1-CD1 4.38Å; V99-V179 WeakPolarHBondContact CA-O 3.21Å; V99-V180 HydrophobicContact CG1-CG2 4.41Å; V99-V180 HydrophobicContact CG2-CB 4.47Å; V99-V180 HydrophobicContact CG2-CG1 4.16Å; V99-V180 HydrophobicContact CG2-CG2 4.13Å; V99-I227 HydrophobicContact CB-CB 4.22Å; V99-I227 HydrophobicContact CG1-CB 4.1Å; V99-I227 HydrophobicContact CG1-CG1 4.12Å; V99-I227 WeakPolarHBondContact O-CA 3.47Å; V99-I227 WeakPolarHBondContact O-CB 3.47Å; V99-I227 PolarHBondContact O-N 3.11Å; V99-N228 PolarHBondContact N-O 2.95Å; V99-N228 PolarHBondContact O-N 2.67Å
100	W	98.9	Very high	98.2	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149.4	168.9	59.7	93.5	0	0	0	110.5	Y93 H98 V117 L178 V179 L181 P211 M224 R225 Y226	Y93-W100 HydrophobicContact CD2-CZ3 4.29Å; Y93-W100 HydrophobicContact CE2-CE3 4.3Å; Y93-W100 HydrophobicContact CE2-CH2 4.45Å; Y93-W100 AromaticContact CE2-CZ3 3.84Å; Y93-W100 HydrophobicContact CE2-CZ3 3.84Å; H98-W100 HydrophobicContact CB-CE3 4.42Å; H98-W100 HydrophobicContact CB-CZ3 4.1Å; W100-V117 HydrophobicContact CH2-CG1 3.73Å; W100-V117 HydrophobicContact CZ2-CG1 3.81Å; W100-L178 WeakPolarHBondContact O-CA 3.17Å; W100-V179 HydrophobicContact CD2-CB 4.09Å; W100-V179 HydrophobicContact CD2-CG1 4.47Å; W100-V179 HydrophobicContact CG-CB 4.34Å; W100-V179 HydrophobicContact CH2-CG1 4.06Å; W100-V179 HydrophobicContact CZ2-CB 3.88Å; W100-V179 HydrophobicContact CZ2-CG1 3.38Å; W100-V179 PolarHBondContact N-O 2.87Å; W100-V179 VanDerWaalsContact N-O 3.14Å; W100-V179 PolarHBondContact O-N 2.94Å; W100-L181 HydrophobicContact CH2-CB 3.66Å; W100-L181 HydrophobicContact CH2-CD2 3.99Å; W100-L181 HydrophobicContact CH2-CG 4.46Å; W100-L181 HydrophobicContact CZ3-CB 3.73Å; W100-L181 HydrophobicContact CZ3-CD2 4.24Å; W100-P211 HydrophobicContact CD2-CB 4.44Å; W100-P211 HydrophobicContact CD2-CG 4.12Å; W100-P211 HydrophobicContact CE3-CG 4.32Å; W100-P211 HydrophobicContact CH2-CB 4.47Å; W100-P211 HydrophobicContact CH2-CG 4.01Å; W100-P211 HydrophobicContact CZ2-CB 3.77Å; W100-P211 HydrophobicContact CZ2-CG 3.78Å; W100-P211 HydrophobicContact CZ3-CG 4.27Å; W100-M224 HydrophobicContact CB-CG 4.23Å; W100-M224 HydrophobicContact CG-CG 4.22Å; W100-M224 HydrophobicContact CG-SD 4.13Å; W100-R225 CarbonylContact C-O 3.42Å; W100-R225 VanDerWaalsContact CA-O 3.31Å; W100-R225 WeakPolarHBondContact CA-O 3.11Å; W100-Y226 HydrophobicContact CB-CD2 4.42Å
101	Q	98.8	Very high	98.1	Very high	58 Å²	58	44.6 Å²	44.6	27%	0.271	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	138.2	170.8	-177.5	178.7	80.1	0	0	109.6	L177 L178 M224 R225 I227	Q101-L177 WeakPolarHBondContact CA-O 3.49Å; Q101-L178 HydrophobicContact CB-CD2 3.64Å; Q101-L178 HydrophobicContact CG-CD2 4.04Å; Q101-M224 WeakPolarHBondContact O-CA 3.2Å; Q101-R225 HydrophobicContact CB-CB 4.44Å; Q101-R225 PolarHBondContact N-O 2.95Å; Q101-R225 PolarHBondContact O-N 3.24Å; Q101-I227 HydrophobicContact CB-CD1 4.11Å; Q101-I227 HydrophobicContact CB-CG1 4.43Å
102	I	98.9	Very high	98	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.3	162.4	-64.1	-62.4	0	0	0	107.5	W56 W104 V115 S176 L177 V179 I222 T223 M224	W56-I102 HydrophobicContact CH2-CD1 4Å; W56-I102 HydrophobicContact CZ2-CD1 3.82Å; I102-W104 HydrophobicContact CG2-CB 4.16Å; I102-V115 HydrophobicContact CG1-CG1 3.85Å; I102-V115 HydrophobicContact CG2-CG2 4.24Å; I102-S176 VanDerWaalsContact O-CA 3.29Å; I102-S176 WeakPolarHBondContact O-CA 3.47Å; I102-L177 HydrophobicContact CB-CD2 4.37Å; I102-L177 HydrophobicContact CB-CG 4.37Å; I102-L177 HydrophobicContact CG2-CD2 4.48Å; I102-L177 PolarHBondContact N-O 2.89Å; I102-L177 PolarHBondContact O-N 2.82Å; I102-V179 HydrophobicContact CG1-CG2 3.99Å; I102-I222 HydrophobicContact CG2-CG2 3.87Å; I102-T223 WeakPolarHBondContact CA-O 3.3Å; I102-M224 HydrophobicContact CD1-CB 3.8Å; I102-M224 HydrophobicContact CD1-CG 3.82Å; I102-M224 HydrophobicContact CD1-SD 4.22Å
103	H	98.8	Very high	98	Very high	62 Å²	62	43.2 Å²	43.2	29%	0.287	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	113.7	165.9	-179.8	75.8	0	0	0	108.1	S176 T223	H103-S176 PolarHBondContact ND1-OG 2.96Å; H103-T223 PolarHBondContact N-O 3.08Å; H103-T223 PolarHBondContact O-N 2.9Å
104	W	98.7	Very high	98	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.			trans	-136.3	104.3	179.7	-171.6	-12.3	0	0	0	108.7	I102 T106 Q108 R109 A113 V115 L144 D175 V213 S214 A215 I222	I102-W104 HydrophobicContact CG2-CB 4.16Å; W104-T106 PolarHBondContact O-N 3.42Å; W104-Q108 PolarHBondContact NE1-O 3.17Å; W104-R109 HydrophobicContact CD2-CG 4.26Å; W104-R109 HydrophobicContact CG-CG 4.22Å; W104-R109 PolarHBondContact O-NE 3.24Å; W104-R109 PolarHBondContact O-NH2 2.81Å; W104-A113 HydrophobicContact CD2-CB 4.44Å; W104-A113 HydrophobicContact CE3-CB 4.29Å; W104-A113 HydrophobicContact CH2-CB 3.46Å; W104-A113 VanDerWaalsContact CH2-CB 3.46Å; W104-A113 HydrophobicContact CZ2-CB 3.61Å; W104-A113 HydrophobicContact CZ3-CB 3.82Å; W104-V115 HydrophobicContact CE3-CG2 4.08Å; W104-V115 HydrophobicContact CZ3-CG2 4.2Å; W104-L144 HydrophobicContact CE3-CD1 4.34Å; W104-D175 CarbonylContact C-O 3.55Å; W104-D175 PolarHBondContact N-O 2.93Å; W104-D175 VanDerWaalsContact O-O 3.13Å; W104-V213 HydrophobicContact CZ3-CB 4.12Å; W104-V213 HydrophobicContact CZ3-CG1 4.41Å; W104-S214 WeakPolarHBondContact CH2-O 3.5Å; W104-A215 HydrophobicContact CH2-CB 3.65Å; W104-A215 HydrophobicContact CZ2-CB 3.63Å; W104-I222 HydrophobicContact CB-CG1 4.05Å; W104-I222 HydrophobicContact CB-CG2 4.31Å; W104-I222 HydrophobicContact CD2-CD1 4.08Å; W104-I222 HydrophobicContact CD2-CG1 3.46Å; W104-I222 VanDerWaalsContact CD2-CG1 3.46Å; W104-I222 HydrophobicContact CE3-CG1 3.97Å; W104-I222 HydrophobicContact CE3-CG2 4.49Å; W104-I222 HydrophobicContact CG-CD1 4.42Å; W104-I222 HydrophobicContact CG-CG1 3.5Å; W104-I222 HydrophobicContact CH2-CD1 4.47Å; W104-I222 HydrophobicContact CZ2-CD1 3.95Å; W104-I222 HydrophobicContact CZ2-CG1 4.26Å
105	P	98.6	Very high	98.1	Very high	28 Å²	28	38.9 Å²	38.9	18%	0.182	19%	0.188	C	C	.	.			trans	-50.1	126.3	179	-28.4	35.3	0	0	0	111.9	R107 Q108 E221	P105-R107 PolarHBondContact O-N 3.03Å; P105-R107 VanDerWaalsContact O-N 3.17Å; P105-Q108 HydrophobicContact CB-CB 4.25Å; P105-Q108 HydrophobicContact CB-CG 4.03Å; P105-Q108 WeakPolarHBondContact O-CA 3.47Å; P105-Q108 PolarHBondContact O-N 3.22Å; P105-E221 WeakPolarHBondContact CD-O 3.29Å
106	T	97.1	Very high	98.2	Very high	59 Å²	59	32.3 Å²	32.3	36%	0.362	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-49.7	-42	-179.4	40.4	0	0	0	0	112.6	W104 Q108 R109 L173 D175	W104-T106 PolarHBondContact O-N 3.42Å; T106-Q108 PolarHBondContact O-N 2.85Å; T106-R109 PolarHBondContact O-N 2.96Å; T106-L173 WeakPolarHBondContact CG2-O 3.47Å; T106-D175 WeakPolarHBondContact CB-OD1 3.27Å; T106-D175 WeakPolarHBondContact CG2-OD1 3.42Å; T106-D175 PolarHBondContact N-OD1 2.88Å; T106-D175 PolarHBondContact OG1-OD1 3.2Å
107	R	97.6	Very high	98.3	Very high	222 Å²	222	32.3 Å²	32.3	84%	0.838	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-70.6	-8.3	179	-62.1	-177.1	-176.4	-95.1	-0.5	114.4	P105	P105-R107 PolarHBondContact O-N 3.03Å; P105-R107 VanDerWaalsContact O-N 3.17Å
108	Q	98.4	Very high	98.3	Very high	54 Å²	54	32.1 Å²	32.1	25%	0.252	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-112.4	17.5	-178.9	-61.1	-178.2	7.9	0	0	113	W104 P105 T106 W217 C220	W104-Q108 PolarHBondContact NE1-O 3.17Å; P105-Q108 HydrophobicContact CB-CB 4.25Å; P105-Q108 HydrophobicContact CB-CG 4.03Å; P105-Q108 WeakPolarHBondContact O-CA 3.47Å; P105-Q108 PolarHBondContact O-N 3.22Å; T106-Q108 PolarHBondContact O-N 2.85Å; Q108-W217 HydrophobicContact CB-CG 4.5Å; Q108-W217 WeakPolarHBondContact O-CB 3.45Å; Q108-C220 HydrophobicContact CB-CB 3.86Å; Q108-C220 WeakPolarHBondContact O-CB 3.41Å; Q108-C220 VanDerWaalsContact OE1-CA 3.3Å
109	R	98	Very high	98.4	Very high	21 Å²	21	32 Å²	32	8%	0.079	16%	0.163	C	C	.	.			trans	-86.6	-36.3	-179	-71.2	179.7	-174.9	163.4	5.3	113.3	W104 T106 A113 L173 P174	W104-R109 HydrophobicContact CD2-CG 4.26Å; W104-R109 HydrophobicContact CG-CG 4.22Å; W104-R109 PolarHBondContact O-NE 3.24Å; W104-R109 PolarHBondContact O-NH2 2.81Å; T106-R109 PolarHBondContact O-N 2.96Å; R109-A113 HydrophobicContact CB-CB 3.6Å; R109-A113 HydrophobicContact CG-CB 3.8Å; R109-L173 PolarHBondContact NH1-O 3.35Å; R109-P174 PolarHBondContact NH2-O 2.85Å
110	G	96.3	Very high	98.4	Very high	38 Å²	38	34.2 Å²	34.2	39%	0.392	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	-151.2	-175.4	0	0	0	0	0	112.9	W217	G110-W217 VanDerWaalsContact CA-CE3 3.4Å
111	T	97	Very high	98.3	Very high	79 Å²	79	41.3 Å²	41.3	49%	0.485	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-22.9	-174.4	55.5	0	0	0	0	114.4	R146	T111-R146 PolarHBondContact O-NH1 2.94Å; T111-R146 PolarHBondContact O-NH2 3.36Å
112	H	98	Very high	98.3	Very high	26 Å²	26	38.8 Å²	38.8	12%	0.12	20%	0.203	C	C	.	.			trans	-146.3	105.9	-174.6	-60.5	93.2	0	0	0	109	Y129 T130 S131 R146 V216	H112-Y129 PolarHBondContact CE1-O 3.09Å; H112-T130 WeakPolarHBondContact CB-O 3.49Å; H112-T130 VanDerWaalsContact CD2-C 3.48Å; H112-S131 PolarHBondContact CD2-N 3.26Å; H112-S131 PolarHBondContact CD2-OG 2.97Å; H112-R146 VanDerWaalsContact CD2-CZ 3.46Å; H112-R146 PolarHBondContact CD2-NH1 3.01Å; H112-R146 PolarHBondContact CD2-NH2 2.92Å; H112-R146 PolarHBondContact NE2-NH1 3.05Å; H112-R146 PolarHBondContact NE2-NH2 3.13Å; H112-V216 HydrophobicContact CB-CG1 3.93Å; H112-V216 HydrophobicContact CB-CG2 4.17Å; H112-V216 WeakPolarHBondContact O-CG2 3.42Å
113	A	98.6	Very high	98.3	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.017	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	108.3	175.4	0	0	0	0	0	107.7	W104 R109 D143 L144	W104-A113 HydrophobicContact CD2-CB 4.44Å; W104-A113 HydrophobicContact CE3-CB 4.29Å; W104-A113 HydrophobicContact CH2-CB 3.46Å; W104-A113 VanDerWaalsContact CH2-CB 3.46Å; W104-A113 HydrophobicContact CZ2-CB 3.61Å; W104-A113 HydrophobicContact CZ3-CB 3.82Å; R109-A113 HydrophobicContact CB-CB 3.6Å; R109-A113 HydrophobicContact CG-CB 3.8Å; A113-D143 WeakPolarHBondContact O-CA 3.39Å; A113-L144 WeakPolarHBondContact O-CG 3.45Å; A113-L144 PolarHBondContact O-N 3.35Å
114	V	98.8	Very high	98.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.5	-173.5	-165.1	0	0	0	0	109.8	V133 W142 D143 V213 S214	V114-V133 HydrophobicContact CB-CB 4.17Å; V114-V133 HydrophobicContact CG1-CB 3.86Å; V114-V133 HydrophobicContact CG1-CG1 4.19Å; V114-W142 WeakPolarHBondContact CA-O 3.08Å; V114-W142 WeakPolarHBondContact CG1-O 3.22Å; V114-D143 HydrophobicContact CG2-CB 4.14Å; V114-V213 CarbonylContact O-C 3.49Å; V114-V213 WeakPolarHBondContact O-CA 3.15Å; V114-V213 WeakPolarHBondContact O-CB 3.25Å; V114-S214 WeakPolarHBondContact CB-OG 3.44Å; V114-S214 WeakPolarHBondContact CG2-OG 3.35Å; V114-S214 PolarHBondContact N-O 3.44Å; V114-S214 VanDerWaalsContact N-O 3.13Å; V114-S214 PolarHBondContact O-N 2.98Å
115	V	98.9	Very high	98.3	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.8	177.6	178.5	0	0	0	0	109.6	I102 W104 G141 W142 L144 L177 V179 F190 V213	I102-V115 HydrophobicContact CG1-CG1 3.85Å; I102-V115 HydrophobicContact CG2-CG2 4.24Å; W104-V115 HydrophobicContact CE3-CG2 4.08Å; W104-V115 HydrophobicContact CZ3-CG2 4.2Å; V115-G141 WeakPolarHBondContact O-CA 3.46Å; V115-W142 PolarHBondContact N-O 2.92Å; V115-W142 PolarHBondContact O-N 3.18Å; V115-L144 HydrophobicContact CB-CD2 4.46Å; V115-L144 HydrophobicContact CG2-CD1 3.9Å; V115-L144 HydrophobicContact CG2-CD2 4.23Å; V115-L144 HydrophobicContact CG2-CG 4.25Å; V115-L177 HydrophobicContact CG1-CD1 4.45Å; V115-V179 HydrophobicContact CG1-CG2 3.66Å; V115-F190 HydrophobicContact CG1-CE1 4.26Å; V115-V213 HydrophobicContact CB-CG1 4.34Å; V115-V213 HydrophobicContact CG1-CG1 4.33Å; V115-V213 HydrophobicContact CG2-CG1 3.93Å
116	G	98.8	Very high	98.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.6	-138.8	172	0	0	0	0	0	114.3	W140 I212	G116-W140 VanDerWaalsContact CA-O 3.29Å; G116-W140 WeakPolarHBondContact CA-O 3.31Å; G116-I212 PolarHBondContact N-O 2.94Å; G116-I212 PolarHBondContact O-N 3.23Å
117	V	98.9	Very high	98.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.5	-177.8	-62.7	0	0	0	0	111.5	W100 S139 W140 L181 L188 L209 Y210	W100-V117 HydrophobicContact CH2-CG1 3.73Å; W100-V117 HydrophobicContact CZ2-CG1 3.81Å; V117-S139 WeakPolarHBondContact O-CA 3.35Å; V117-W140 HydrophobicContact CG2-CB 4.22Å; V117-W140 HydrophobicContact CG2-CE3 4.1Å; V117-W140 PolarHBondContact N-O 3.47Å; V117-W140 PolarHBondContact O-N 3.07Å; V117-L181 HydrophobicContact CG1-CD1 4.37Å; V117-L181 HydrophobicContact CG1-CD2 4.26Å; V117-L188 HydrophobicContact CG1-CD1 3.89Å; V117-L188 HydrophobicContact CG1-CD2 4.49Å; V117-L188 HydrophobicContact CG2-CD1 4.42Å; V117-L188 HydrophobicContact CG2-CD2 3.95Å; V117-L209 HydrophobicContact CB-CB 4.27Å; V117-L209 HydrophobicContact CG2-CD1 3.97Å; V117-Y210 CarbonylContact C-O 3.57Å; V117-Y210 WeakPolarHBondContact CA-O 3.41Å
118	S	98.9	Very high	98.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	163.5	174.9	72.6	0	0	0	0	113.3	R88 E138 L209 Y210 I212	R88-S118 WeakPolarHBondContact CD-OG 3.49Å; S118-E138 CarbonylContact C-O 3.6Å; S118-E138 WeakPolarHBondContact CA-O 3.44Å; S118-E138 VanDerWaalsContact CB-O 3.3Å; S118-E138 WeakPolarHBondContact CB-O 3.39Å; S118-L209 CarbonylContact O-C 3.5Å; S118-L209 WeakPolarHBondContact O-CA 3.35Å; S118-Y210 PolarHBondContact N-O 2.96Å; S118-Y210 PolarHBondContact O-N 3.02Å; S118-I212 WeakPolarHBondContact OG-CD1 3.12Å
119	T	98.9	Very high	98.3	Very high	19 Å²	19	38.3 Å²	38.3	12%	0.117	22%	0.222	C	C	.	.			trans	-71.9	175.7	159.8	73.3	0	0	0	0	110.1	R88 E121 E138 W140 L209	R88-T119 PolarHBondContact NH1-O 3.23Å; R88-T119 VanDerWaalsContact NH1-O 3.17Å; T119-E121 PolarHBondContact O-N 2.78Å; T119-E121 PolarHBondContact OG1-N 2.69Å; T119-E138 WeakPolarHBondContact CG2-OE2 3.23Å; T119-E138 PolarHBondContact N-O 3.02Å; T119-E138 WeakPolarHBondContact OG1-CB 3.28Å; T119-E138 PolarHBondContact OG1-OE2 2.83Å; T119-W140 HydrophobicContact CG2-CH2 4.43Å; T119-W140 HydrophobicContact CG2-CZ3 4.27Å; T119-L209 HydrophobicContact CG2-CD2 4.08Å
120	A	98.6	Very high	98.2	Very high	46 Å²	46	39.7 Å²	39.7	38%	0.38	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.9	173	0	0	0	0	0	112.7	R88 A122 Y210	R88-A120 VanDerWaalsContact CZ-O 3.24Å; R88-A120 PolarHBondContact NH1-O 3.04Å; R88-A120 VanDerWaalsContact NH1-O 3.13Å; R88-A120 PolarHBondContact NH2-O 2.92Å; A120-A122 VanDerWaalsContact C-N 3.34Å; A120-Y210 HydrophobicContact CB-CE2 4.1Å
121	E	98.6	Very high	98.3	Very high	152 Å²	152	38.6 Å²	38.6	71%	0.71	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-11.4	-176.5	-55.9	-53.5	141.7	0	0	113.2	T119 E138	T119-E121 PolarHBondContact O-N 2.78Å; T119-E121 PolarHBondContact OG1-N 2.69Å; E121-E138 HydrophobicContact CB-CG 4.08Å
122	A	98.4	Very high	98.3	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.033	20%	0.198	C	C	.	.	S	Bend	trans	-63.1	132.6	177.7	0	0	0	0	0	110.9	R88 A120 E138	R88-A122 PolarHBondContact NH1-O 2.9Å; A120-A122 VanDerWaalsContact C-N 3.34Å; A122-E138 HydrophobicContact CB-CB 3.82Å
123	P	98.3	Very high	98.4	Very high	58 Å²	58	34.1 Å²	34.1	38%	0.377	19%	0.193	S	C	.	.			trans	-67.2	142.4	178.5	28.8	-34.6	0	0	0	110.4	L132 N136	P123-L132 HydrophobicContact CG-CD1 4.18Å; P123-N136 WeakPolarHBondContact CD-ND2 3.32Å
124	L	98.8	Very high	98.3	Very high	21 Å²	21	34 Å²	34	11%	0.11	19%	0.192	C	C	.	.	S	Bend	trans	-101.5	1.5	-178.4	-60.3	-177	0	0	0	114.1	D60 S62 C86 R88 I212	D60-L124 VanDerWaalsContact C-CD1 3.44Å; D60-L124 WeakPolarHBondContact O-CD1 3.29Å; D60-L124 VanDerWaalsContact OD1-CD1 3.28Å; D60-L124 WeakPolarHBondContact OD1-CD1 3.33Å; S62-L124 WeakPolarHBondContact CB-O 3.31Å; C86-L124 HydrophobicContact CB-CB 4.1Å; C86-L124 HydrophobicContact CB-CD2 3.67Å; C86-L124 PolarHBondContact N-O 2.97Å; R88-L124 HydrophobicContact CG-CD2 4.17Å; L124-I212 HydrophobicContact CD2-CD1 3.6Å; L124-I212 HydrophobicContact CD2-CG1 4.47Å
125	H	98.8	Very high	98.2	Very high	85 Å²	85	34.8 Å²	34.8	39%	0.394	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	148.3	179	174.1	80.3	0	0	0	110.7	S83 T84 D85	S83-H125 PolarHBondContact OG-CE1 3.35Å; S83-H125 PolarHBondContact OG-ND1 3.42Å; T84-H125 WeakPolarHBondContact O-CA 3.33Å; T84-H125 PolarHBondContact O-ND1 3.32Å; D85-H125 IonicContact OD1-CE1 2.71Å; D85-H125 IonicContact OD1-ND1 3.39Å; D85-H125 PolarHBondContact OD1-ND1 2.8Å
126	S	98.3	Very high	98.1	Very high	37 Å²	37	36.4 Å²	36.4	26%	0.259	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	146.7	170.2	-170.6	0	0	0	0	110.6	T84	T84-S126 PolarHBondContact N-O 3.19Å; T84-S126 PolarHBondContact O-N 3.23Å
127	V	97.9	Very high	98	Very high	118 Å²	118	39.3 Å²	39.3	72%	0.715	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75	138.8	171.2	-179.6	0	0	0	0	109.2
128	G	97.8	Very high	98	Very high	12 Å²	12	42 Å²	42	12%	0.124	24%	0.238	C	C	.	.	S	Bend	trans	85	177	-174.4	0	0	0	0	0	113.2	Q82 S83 T84	Q82-G128 PolarHBondContact O-N 2.98Å; S83-G128 CarbonylContact C-O 3.48Å; S83-G128 VanDerWaalsContact C-O 3.32Å; T84-G128 PolarHBondContact N-O 3.35Å; T84-G128 PolarHBondContact OG1-O 3.33Å
129	Y	98	Very high	98	Very high	86 Å²	86	42 Å²	42	34%	0.337	24%	0.239	S	C	.	.	S	Bend	trans	-97	111.5	176.3	-56.8	-47.3	0	0	0	110	Q82 T84 H112 V216	Q82-Y129 VanDerWaalsContact N-CZ 3.3Å; Q82-Y129 PolarHBondContact N-OH 3.02Å; Q82-Y129 VanDerWaalsContact N-OH 3.08Å; T84-Y129 WeakPolarHBondContact OG1-CA 3.4Å; H112-Y129 PolarHBondContact CE1-O 3.09Å; Y129-V216 HydrophobicContact CD1-CB 3.7Å; Y129-V216 HydrophobicContact CD1-CG1 3.88Å; Y129-V216 HydrophobicContact CE1-CB 4.25Å; Y129-V216 HydrophobicContact CG-CB 4.44Å; Y129-V216 HydrophobicContact CG-CG1 4.48Å
130	T	96.6	Very high	98	Very high	49 Å²	49	41.6 Å²	41.6	30%	0.301	24%	0.235	S	C	.	.			trans	-141.8	159	-173.6	65.7	0	0	0	0	112	T84 H112 L132	T84-T130 WeakPolarHBondContact CG2-O 3.35Å; T84-T130 PolarHBondContact OG1-N 3.49Å; T84-T130 PolarHBondContact OG1-OG1 3.34Å; H112-T130 WeakPolarHBondContact CB-O 3.49Å; H112-T130 VanDerWaalsContact CD2-C 3.48Å; T130-L132 VanDerWaalsContact C-N 3.27Å; T130-L132 PolarHBondContact O-N 2.9Å
131	S	96.8	Very high	98	Very high	16 Å²	16	39.4 Å²	39.4	11%	0.112	22%	0.217	C	C	.	.			trans	-77.4	79.4	164	-51.2	0	0	0	0	108.8	H112 D143	H112-S131 PolarHBondContact CD2-N 3.26Å; H112-S131 PolarHBondContact CD2-OG 2.97Å; S131-D143 PolarHBondContact OG-OD2 2.89Å
132	L	98.3	Very high	98	Very high	9 Å²	9	32.2 Å²	32.2	5%	0.047	18%	0.183	C	C	.	.			trans	-68.5	-45.5	-171.7	-179.8	55.7	0	0	0	112.7	T84 C86 P123 T130 G134 S135	T84-L132 HydrophobicContact CG2-CB 3.57Å; T84-L132 HydrophobicContact CG2-CD2 4.15Å; C86-L132 VanDerWaalsContact SG-CD2 3.52Å; P123-L132 HydrophobicContact CG-CD1 4.18Å; T130-L132 VanDerWaalsContact C-N 3.27Å; T130-L132 PolarHBondContact O-N 2.9Å; L132-G134 PolarHBondContact O-N 2.89Å; L132-S135 WeakPolarHBondContact O-CB 3.45Å; L132-S135 PolarHBondContact O-N 3.14Å; L132-S135 VanDerWaalsContact O-N 3.13Å; L132-S135 PolarHBondContact O-OG 3.01Å
133	V	98.7	Very high	98	Very high	2 Å²	2	32 Å²	32	1%	0.012	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	125.4	170.1	177.8	0	0	0	0	108.6	V114 I212 S214	V114-V133 HydrophobicContact CB-CB 4.17Å; V114-V133 HydrophobicContact CG1-CB 3.86Å; V114-V133 HydrophobicContact CG1-CG1 4.19Å; V133-I212 HydrophobicContact CG1-CG2 3.79Å; V133-I212 HydrophobicContact CG2-CB 4.47Å; V133-I212 HydrophobicContact CG2-CD1 3.99Å; V133-I212 HydrophobicContact CG2-CG1 3.87Å; V133-I212 HydrophobicContact CG2-CG2 3.87Å; V133-S214 PolarHBondContact N-OG 3Å
134	G	98	Very high	97.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	-4.4	-174.6	0	0	0	0	0	114.4	L132 N136 S139 Y150 H151 N152 C153	L132-G134 PolarHBondContact O-N 2.89Å; G134-N136 VanDerWaalsContact C-N 3.28Å; G134-N136 PolarHBondContact O-N 2.83Å; G134-S139 PolarHBondContact N-OG 2.79Å; G134-Y150 WeakPolarHBondContact CA-O 3.4Å; G134-H151 CarbonylContact O-C 3.44Å; G134-H151 VanDerWaalsContact O-C 3.28Å; G134-H151 VanDerWaalsContact O-CA 3.28Å; G134-H151 WeakPolarHBondContact O-CA 3.47Å; G134-H151 PolarHBondContact O-N 3.21Å; G134-N152 PolarHBondContact O-N 2.91Å; G134-C153 PolarHBondContact O-N 3.46Å; G134-C153 VanDerWaalsContact O-N 3.09Å
135	S	97	Very high	97.7	Very high	16 Å²	16	31.4 Å²	31.4	11%	0.112	19%	0.19	C	C	.	.	S	Bend	trans	-70.9	-21.1	-177.2	66.6	0	0	0	0	114.4	L132	L132-S135 WeakPolarHBondContact O-CB 3.45Å; L132-S135 PolarHBondContact O-N 3.14Å; L132-S135 VanDerWaalsContact O-N 3.13Å; L132-S135 PolarHBondContact O-OG 3.01Å
136	N	96.2	Very high	97.4	Very high	35 Å²	35	32.1 Å²	32.1	19%	0.187	19%	0.189	C	C	.	.	S	Bend	trans	-135.9	-175.1	-178.4	66.7	9.3	0	0	0	111.6	P123 G134 E138 S139 N152	P123-N136 WeakPolarHBondContact CD-ND2 3.32Å; G134-N136 VanDerWaalsContact C-N 3.28Å; G134-N136 PolarHBondContact O-N 2.83Å; N136-E138 PolarHBondContact O-N 3.26Å; N136-E138 WeakPolarHBondContact OD1-CB 3.49Å; N136-E138 PolarHBondContact OD1-N 3.16Å; N136-S139 PolarHBondContact OD1-OG 2.68Å; N136-N152 WeakPolarHBondContact O-CA 3.45Å; N136-N152 PolarHBondContact O-N 3.49Å
137	S	97.1	Very high	97.3	Very high	60 Å²	60	30.8 Å²	30.8	42%	0.42	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13	178.5	53.9	0	0	0	0	114.6	H151	S137-H151 PolarHBondContact O-CE1 3.19Å
138	E	98.4	Very high	97.1	Very high	56 Å²	56	28.7 Å²	28.7	26%	0.262	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-3.4	-171.1	-59.8	-45.7	121.4	0	0	113.1	S118 T119 E121 A122 N136	S118-E138 CarbonylContact C-O 3.6Å; S118-E138 WeakPolarHBondContact CA-O 3.44Å; S118-E138 VanDerWaalsContact CB-O 3.3Å; S118-E138 WeakPolarHBondContact CB-O 3.39Å; T119-E138 WeakPolarHBondContact CG2-OE2 3.23Å; T119-E138 PolarHBondContact N-O 3.02Å; T119-E138 WeakPolarHBondContact OG1-CB 3.28Å; T119-E138 PolarHBondContact OG1-OE2 2.83Å; E121-E138 HydrophobicContact CB-CG 4.08Å; A122-E138 HydrophobicContact CB-CB 3.82Å; N136-E138 PolarHBondContact O-N 3.26Å; N136-E138 WeakPolarHBondContact OD1-CB 3.49Å; N136-E138 PolarHBondContact OD1-N 3.16Å
139	S	98.7	Very high	97.1	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.014	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	155.1	-177.5	54.2	0	0	0	0	113.3	V117 G134 N136 H151	V117-S139 WeakPolarHBondContact O-CA 3.35Å; G134-S139 PolarHBondContact N-OG 2.79Å; N136-S139 PolarHBondContact OD1-OG 2.68Å; S139-H151 PolarHBondContact O-ND1 3.5Å
140	W	98.8	Very high	97.1	Very high	10 Å²	10	26.1 Å²	26.1	4%	0.038	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	120.4	178.9	-61.7	-96.9	0	0	0	107.7	G116 V117 T119 H151 L188 F201 L204 K207 L209	G116-W140 VanDerWaalsContact CA-O 3.29Å; G116-W140 WeakPolarHBondContact CA-O 3.31Å; V117-W140 HydrophobicContact CG2-CB 4.22Å; V117-W140 HydrophobicContact CG2-CE3 4.1Å; V117-W140 PolarHBondContact N-O 3.47Å; V117-W140 PolarHBondContact O-N 3.07Å; T119-W140 HydrophobicContact CG2-CH2 4.43Å; T119-W140 HydrophobicContact CG2-CZ3 4.27Å; W140-H151 AromaticContact CD1-CE1 3.91Å; W140-H151 AromaticContact CD1-CG 3.39Å; W140-H151 AromaticContact CD1-ND1 3.34Å; W140-H151 VanDerWaalsContact CD1-ND1 3.34Å; W140-H151 AromaticContact CD2-ND1 3.86Å; W140-H151 AromaticContact CE2-CE1 3.29Å; W140-H151 AromaticContact CE2-ND1 3.4Å; W140-H151 AromaticContact CE2-NE2 3.98Å; W140-H151 HydrophobicContact CG-CB 4.4Å; W140-H151 AromaticContact CG-ND1 3.81Å; W140-H151 AromaticContact CZ2-CE1 3.42Å; W140-H151 VanDerWaalsContact CZ2-CE1 3.42Å; W140-H151 WeakPolarHBondContact CZ2-CE1 3.32Å; W140-H151 AromaticContact CZ2-ND1 3.97Å; W140-H151 AromaticContact NE1-CD2 3.6Å; W140-H151 AromaticContact NE1-CE1 3.16Å; W140-H151 PolarHBondContact NE1-CE1 3.06Å; W140-H151 AromaticContact NE1-CG 3.35Å; W140-H151 VanDerWaalsContact NE1-CG 3.35Å; W140-H151 AromaticContact NE1-ND1 3.09Å; W140-H151 PolarHBondContact NE1-ND1 3.35Å; W140-H151 AromaticContact NE1-NE2 3.48Å; W140-H151 PolarHBondContact NE1-NE2 3.32Å; W140-L188 HydrophobicContact CB-CD2 4.48Å; W140-F201 HydrophobicContact CB-CD1 4.17Å; W140-F201 HydrophobicContact CB-CD2 3.9Å; W140-F201 HydrophobicContact CB-CE1 4.21Å; W140-F201 HydrophobicContact CB-CE2 3.93Å; W140-F201 HydrophobicContact CB-CG 3.98Å; W140-F201 HydrophobicContact CB-CZ 4.07Å; W140-F201 AromaticContact CD1-CD1 3.55Å; W140-F201 AromaticContact CD1-CG 3.79Å; W140-F201 HydrophobicContact CG-CD1 4.26Å; W140-F201 HydrophobicContact CG-CG 4.23Å; W140-L204 HydrophobicContact CD2-CD2 3.6Å; W140-L204 HydrophobicContact CE3-CD2 4.13Å; W140-L204 HydrophobicContact CG-CD2 4.01Å; W140-L204 HydrophobicContact CH2-CD2 4.36Å; W140-L204 HydrophobicContact CZ2-CD2 3.81Å; W140-L204 HydrophobicContact CZ3-CD2 4.49Å; W140-K207 HydrophobicContact CH2-CD 3.57Å; W140-K207 HydrophobicContact CZ2-CD 4.06Å; W140-K207 HydrophobicContact CZ3-CD 4.34Å; W140-L209 HydrophobicContact CE3-CD2 4.14Å; W140-L209 HydrophobicContact CH2-CD2 4.24Å; W140-L209 HydrophobicContact CZ3-CD2 3.5Å; W140-L209 VanDerWaalsContact CZ3-CD2 3.5Å
141	G	98.6	Very high	97.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	142.9	-170.5	0	0	0	0	0	113.9	V115 L149 Y150 F201	V115-G141 WeakPolarHBondContact O-CA 3.46Å; G141-L149 CarbonylContact O-C 3.46Å; G141-L149 WeakPolarHBondContact O-CA 3.24Å; G141-Y150 PolarHBondContact N-O 3.11Å; G141-Y150 PolarHBondContact O-N 3.39Å; G141-F201 WeakPolarHBondContact O-CZ 3.47Å
142	W	98.6	Very high	97	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	115.1	167.6	-178.5	25.9	0	0	0	109.9	V114 V115 L144 L149 Y161 F171 L173 L177 F190 V192 L197	V114-W142 WeakPolarHBondContact CA-O 3.08Å; V114-W142 WeakPolarHBondContact CG1-O 3.22Å; V115-W142 PolarHBondContact N-O 2.92Å; V115-W142 PolarHBondContact O-N 3.18Å; W142-L144 HydrophobicContact CD2-CD2 3.88Å; W142-L144 HydrophobicContact CE3-CD2 3.84Å; W142-L144 HydrophobicContact CG-CD2 4.23Å; W142-L144 HydrophobicContact CZ3-CD2 4.41Å; W142-L144 PolarHBondContact O-N 2.81Å; W142-L149 HydrophobicContact CB-CD2 3.68Å; W142-L149 HydrophobicContact CG-CD2 3.86Å; W142-Y161 AromaticContact CD2-CD1 3.86Å; W142-Y161 HydrophobicContact CD2-CD1 3.86Å; W142-Y161 HydrophobicContact CD2-CE1 4.14Å; W142-Y161 AromaticContact CE2-CD1 3.53Å; W142-Y161 HydrophobicContact CE3-CD1 4.34Å; W142-Y161 HydrophobicContact CE3-CE1 4.15Å; W142-Y161 HydrophobicContact CG-CD1 4.27Å; W142-Y161 HydrophobicContact CH2-CD1 4.18Å; W142-Y161 HydrophobicContact CH2-CE1 4.02Å; W142-Y161 AromaticContact CZ2-CD1 3.73Å; W142-Y161 HydrophobicContact CZ2-CD1 3.73Å; W142-Y161 HydrophobicContact CZ2-CE1 4.05Å; W142-Y161 HydrophobicContact CZ3-CD1 4.48Å; W142-Y161 HydrophobicContact CZ3-CE1 4.09Å; W142-Y161 AromaticContact NE1-CD1 3.74Å; W142-Y161 PolarHBondContact NE1-O 2.89Å; W142-F171 HydrophobicContact CH2-CE1 4.29Å; W142-F171 HydrophobicContact CZ2-CD1 4.36Å; W142-L173 HydrophobicContact CE3-CD2 4.35Å; W142-L173 HydrophobicContact CH2-CD1 4.13Å; W142-L173 HydrophobicContact CH2-CD2 3.37Å; W142-L173 HydrophobicContact CH2-CG 3.98Å; W142-L173 HydrophobicContact CZ2-CD1 3.84Å; W142-L173 HydrophobicContact CZ2-CD2 3.92Å; W142-L173 HydrophobicContact CZ2-CG 4.21Å; W142-L173 HydrophobicContact CZ3-CD2 3.6Å; W142-L177 HydrophobicContact CE3-CD1 4.29Å; W142-L177 HydrophobicContact CZ3-CD1 4.18Å; W142-F190 HydrophobicContact CB-CD2 4.44Å; W142-F190 HydrophobicContact CB-CE1 4.42Å; W142-F190 HydrophobicContact CB-CE2 3.72Å; W142-F190 HydrophobicContact CB-CZ 3.7Å; W142-F190 HydrophobicContact CD2-CD2 4.29Å; W142-F190 HydrophobicContact CD2-CE2 4.42Å; W142-F190 HydrophobicContact CE3-CB 3.93Å; W142-F190 AromaticContact CE3-CD1 3.74Å; W142-F190 HydrophobicContact CE3-CD1 3.74Å; W142-F190 AromaticContact CE3-CD2 3.65Å; W142-F190 HydrophobicContact CE3-CD2 3.65Å; W142-F190 HydrophobicContact CE3-CE1 4.1Å; W142-F190 HydrophobicContact CE3-CE2 4.05Å; W142-F190 AromaticContact CE3-CG 3.48Å; W142-F190 HydrophobicContact CE3-CG 3.48Å; W142-F190 VanDerWaalsContact CE3-CG 3.48Å; W142-F190 HydrophobicContact CE3-CZ 4.25Å; W142-F190 HydrophobicContact CG-CE2 4.35Å; W142-F190 HydrophobicContact CZ3-CB 3.63Å; W142-F190 HydrophobicContact CZ3-CD1 4.17Å; W142-F190 HydrophobicContact CZ3-CD2 4.22Å; W142-F190 AromaticContact CZ3-CG 3.75Å; W142-F190 HydrophobicContact CZ3-CG 3.75Å; W142-V192 HydrophobicContact CH2-CG2 4.18Å; W142-V192 HydrophobicContact CZ3-CG2 4.3Å; W142-L197 HydrophobicContact CH2-CD1 3.6Å; W142-L197 HydrophobicContact CZ3-CD1 4.09Å
143	D	97.8	Very high	96.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	109.4	171.8	-173	-43.8	0	0	0	109.4	A113 V114 S131 G145 R146 N147 K148 Y150	A113-D143 WeakPolarHBondContact O-CA 3.39Å; V114-D143 HydrophobicContact CG2-CB 4.14Å; S131-D143 PolarHBondContact OG-OD2 2.89Å; D143-G145 VanDerWaalsContact C-N 3.28Å; D143-G145 PolarHBondContact O-N 3.28Å; D143-G145 PolarHBondContact OD1-N 3.41Å; D143-R146 HydrophobicContact CB-CB 4.28Å; D143-R146 PolarHBondContact O-N 2.8Å; D143-R146 PolarHBondContact OD1-N 3.13Å; D143-R146 IonicContact OD1-NH1 3.81Å; D143-R146 IonicContact OD2-CZ 2.98Å; D143-R146 IonicContact OD2-NH1 3.93Å; D143-R146 PolarHBondContact OD2-NH1 3.11Å; D143-N147 WeakPolarHBondContact O-CA 3.46Å; D143-N147 PolarHBondContact O-N 3.23Å; D143-K148 PolarHBondContact N-O 3.27Å; D143-K148 PolarHBondContact O-N 3.27Å; D143-Y150 HydrophobicContact CB-CD2 3.91Å; D143-Y150 HydrophobicContact CB-CE2 3.57Å
144	L	96.9	Very high	95.2	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-25.7	-172.1	-51.3	-173.2	0	0	0	112.6	W104 A113 V115 W142 L173 L177	W104-L144 HydrophobicContact CE3-CD1 4.34Å; A113-L144 WeakPolarHBondContact O-CG 3.45Å; A113-L144 PolarHBondContact O-N 3.35Å; V115-L144 HydrophobicContact CB-CD2 4.46Å; V115-L144 HydrophobicContact CG2-CD1 3.9Å; V115-L144 HydrophobicContact CG2-CD2 4.23Å; V115-L144 HydrophobicContact CG2-CG 4.25Å; W142-L144 HydrophobicContact CD2-CD2 3.88Å; W142-L144 HydrophobicContact CE3-CD2 3.84Å; W142-L144 HydrophobicContact CG-CD2 4.23Å; W142-L144 HydrophobicContact CZ3-CD2 4.41Å; W142-L144 PolarHBondContact O-N 2.81Å; L144-L173 HydrophobicContact CB-CD1 4.2Å; L144-L173 HydrophobicContact CD2-CD2 3.83Å; L144-L173 VanDerWaalsContact O-CD1 3.3Å; L144-L173 WeakPolarHBondContact O-CD1 3.49Å; L144-L177 HydrophobicContact CD1-CD2 4.11Å; L144-L177 HydrophobicContact CD2-CD2 4.49Å
145	G	93.8	Very high	94.2	Very high	61 Å²	61	43.1 Å²	43.1	63%	0.629	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-36	179.4	0	0	0	0	0	112	D143	D143-G145 VanDerWaalsContact C-N 3.28Å; D143-G145 PolarHBondContact O-N 3.28Å; D143-G145 PolarHBondContact OD1-N 3.41Å
146	R	93.4	Very high	93.6	Very high	101 Å²	101	47.4 Å²	47.4	38%	0.381	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-11.9	-178.1	-67.9	178	-179.5	71.1	8.8	114	T111 H112 D143 K148 Y150	T111-R146 PolarHBondContact O-NH1 2.94Å; T111-R146 PolarHBondContact O-NH2 3.36Å; H112-R146 VanDerWaalsContact CD2-CZ 3.46Å; H112-R146 PolarHBondContact CD2-NH1 3.01Å; H112-R146 PolarHBondContact CD2-NH2 2.92Å; H112-R146 PolarHBondContact NE2-NH1 3.05Å; H112-R146 PolarHBondContact NE2-NH2 3.13Å; D143-R146 HydrophobicContact CB-CB 4.28Å; D143-R146 PolarHBondContact O-N 2.8Å; D143-R146 PolarHBondContact OD1-N 3.13Å; D143-R146 IonicContact OD1-NH1 3.81Å; D143-R146 IonicContact OD2-CZ 2.98Å; D143-R146 IonicContact OD2-NH1 3.93Å; D143-R146 PolarHBondContact OD2-NH1 3.11Å; R146-K148 HydrophobicContact CB-CB 4.22Å; R146-K148 HydrophobicContact CB-CG 4.18Å; R146-K148 PolarHBondContact O-N 2.98Å; R146-Y150 WeakPolarHBondContact CD-OH 3.38Å
147	N	95.2	Very high	93.2	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.048	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	45	-169.5	-66.7	-52.9	0	0	0	111.4	D143 T160 Y161 L165 F171 L173	D143-N147 WeakPolarHBondContact O-CA 3.46Å; D143-N147 PolarHBondContact O-N 3.23Å; N147-T160 CarbonylContact O-C 3.41Å; N147-T160 WeakPolarHBondContact O-CA 3.3Å; N147-Y161 CarbonylContact C-O 3.52Å; N147-Y161 WeakPolarHBondContact CA-O 3.44Å; N147-Y161 VanDerWaalsContact CB-O 3.31Å; N147-Y161 WeakPolarHBondContact CB-O 3.27Å; N147-Y161 PolarHBondContact O-N 3.02Å; N147-L165 HydrophobicContact CB-CD1 3.91Å; N147-F171 PolarHBondContact ND2-N 3.26Å; N147-F171 PolarHBondContact ND2-O 3.29Å; N147-F171 PolarHBondContact OD1-O 3.05Å; N147-L173 WeakPolarHBondContact OD1-CD1 3.49Å
148	K	95.2	Very high	92.9	Very high	73 Å²	73	49.3 Å²	49.3	32%	0.317	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.2	-178.7	-70.9	-155.7	175.1	-159.7	0	112.6	D143 R146 Y150 V159	D143-K148 PolarHBondContact N-O 3.27Å; D143-K148 PolarHBondContact O-N 3.27Å; R146-K148 HydrophobicContact CB-CB 4.22Å; R146-K148 HydrophobicContact CB-CG 4.18Å; R146-K148 PolarHBondContact O-N 2.98Å; K148-Y150 HydrophobicContact CB-CE1 4.42Å; K148-Y150 HydrophobicContact CB-CE2 3.84Å; K148-V159 CarbonylContact C-O 3.59Å; K148-V159 VanDerWaalsContact CA-O 3.3Å; K148-V159 WeakPolarHBondContact CA-O 3.16Å
149	L	97.4	Very high	92.7	Very high	12 Å²	12	51 Å²	51	6%	0.063	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131.9	169.9	-59.5	178.4	0	0	0	109.5	G141 W142 G158 V159 Y161 F190 A200 F201	G141-L149 CarbonylContact O-C 3.46Å; G141-L149 WeakPolarHBondContact O-CA 3.24Å; W142-L149 HydrophobicContact CB-CD2 3.68Å; W142-L149 HydrophobicContact CG-CD2 3.86Å; L149-G158 CarbonylContact O-C 3.28Å; L149-G158 WeakPolarHBondContact O-CA 3.46Å; L149-V159 HydrophobicContact CB-CB 4.45Å; L149-V159 PolarHBondContact N-O 2.85Å; L149-V159 PolarHBondContact O-N 2.87Å; L149-Y161 HydrophobicContact CD1-CD2 3.73Å; L149-Y161 HydrophobicContact CD1-CG 3.84Å; L149-Y161 HydrophobicContact CD2-CD1 4.12Å; L149-Y161 HydrophobicContact CD2-CD2 4.44Å; L149-Y161 HydrophobicContact CD2-CG 3.88Å; L149-Y161 VanDerWaalsContact CG-CB 3.41Å; L149-Y161 HydrophobicContact CG-CD2 4.32Å; L149-Y161 HydrophobicContact CG-CG 3.91Å; L149-F190 HydrophobicContact CD2-CE2 4.41Å; L149-A200 HydrophobicContact CD1-CB 3.63Å; L149-A200 VanDerWaalsContact CD1-O 3.29Å; L149-A200 WeakPolarHBondContact CD1-O 3.32Å; L149-A200 HydrophobicContact CD2-CB 3.77Å; L149-A200 HydrophobicContact CG-CB 4.36Å; L149-F201 HydrophobicContact CB-CE1 3.9Å; L149-F201 HydrophobicContact CB-CE2 4.34Å; L149-F201 HydrophobicContact CB-CZ 3.6Å; L149-F201 HydrophobicContact CD2-CE2 3.81Å; L149-F201 HydrophobicContact CD2-CZ 3.92Å; L149-F201 HydrophobicContact CG-CE2 4.46Å; L149-F201 HydrophobicContact CG-CZ 4.19Å
150	Y	97.9	Very high	92.5	Very high	33 Å²	33	53.8 Å²	53.8	13%	0.129	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.2	177.2	-65.1	-66.4	0	0	0	110.2	G134 G141 D143 R146 K148 C153 F201	G134-Y150 WeakPolarHBondContact CA-O 3.4Å; G141-Y150 PolarHBondContact N-O 3.11Å; G141-Y150 PolarHBondContact O-N 3.39Å; D143-Y150 HydrophobicContact CB-CD2 3.91Å; D143-Y150 HydrophobicContact CB-CE2 3.57Å; R146-Y150 WeakPolarHBondContact CD-OH 3.38Å; K148-Y150 HydrophobicContact CB-CE1 4.42Å; K148-Y150 HydrophobicContact CB-CE2 3.84Å; Y150-C153 HydrophobicContact CD1-CB 3.59Å; Y150-C153 HydrophobicContact CE1-CB 4.41Å; Y150-C153 HydrophobicContact CG-CB 4.29Å; Y150-F201 WeakPolarHBondContact O-CZ 3.34Å
151	H	97.6	Very high	92.2	Very high	53 Å²	53	53.3 Å²	53.3	25%	0.245	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	128.7	166.1	172.1	61.1	0	0	0	107.2	G134 S137 S139 W140 C153 F201	G134-H151 CarbonylContact O-C 3.44Å; G134-H151 VanDerWaalsContact O-C 3.28Å; G134-H151 VanDerWaalsContact O-CA 3.28Å; G134-H151 WeakPolarHBondContact O-CA 3.47Å; G134-H151 PolarHBondContact O-N 3.21Å; S137-H151 PolarHBondContact O-CE1 3.19Å; S139-H151 PolarHBondContact O-ND1 3.5Å; W140-H151 AromaticContact CD1-CE1 3.91Å; W140-H151 AromaticContact CD1-CG 3.39Å; W140-H151 AromaticContact CD1-ND1 3.34Å; W140-H151 VanDerWaalsContact CD1-ND1 3.34Å; W140-H151 AromaticContact CD2-ND1 3.86Å; W140-H151 AromaticContact CE2-CE1 3.29Å; W140-H151 AromaticContact CE2-ND1 3.4Å; W140-H151 AromaticContact CE2-NE2 3.98Å; W140-H151 HydrophobicContact CG-CB 4.4Å; W140-H151 AromaticContact CG-ND1 3.81Å; W140-H151 AromaticContact CZ2-CE1 3.42Å; W140-H151 VanDerWaalsContact CZ2-CE1 3.42Å; W140-H151 WeakPolarHBondContact CZ2-CE1 3.32Å; W140-H151 AromaticContact CZ2-ND1 3.97Å; W140-H151 AromaticContact NE1-CD2 3.6Å; W140-H151 AromaticContact NE1-CE1 3.16Å; W140-H151 PolarHBondContact NE1-CE1 3.06Å; W140-H151 AromaticContact NE1-CG 3.35Å; W140-H151 VanDerWaalsContact NE1-CG 3.35Å; W140-H151 AromaticContact NE1-ND1 3.09Å; W140-H151 PolarHBondContact NE1-ND1 3.35Å; W140-H151 AromaticContact NE1-NE2 3.48Å; W140-H151 PolarHBondContact NE1-NE2 3.32Å; H151-C153 PolarHBondContact O-N 3.06Å; H151-F201 HydrophobicContact CB-CD1 4.26Å; H151-F201 HydrophobicContact CB-CE1 3.84Å
152	N	93.2	Very high	91.9	Very high	39 Å²	39	53.3 Å²	53.3	21%	0.209	29%	0.29	C	S	.	.	S	Bend	trans	50.3	39.6	-175	-165.2	24	0	0	0	113.2	G134 N136 K154 N155 Q156	G134-N152 PolarHBondContact O-N 2.91Å; N136-N152 WeakPolarHBondContact O-CA 3.45Å; N136-N152 PolarHBondContact O-N 3.49Å; N152-K154 PolarHBondContact O-N 2.73Å; N152-K154 VanDerWaalsContact O-N 3.1Å; N152-N155 PolarHBondContact ND2-ND2 3.07Å; N152-N155 PolarHBondContact O-N 2.85Å; N152-N155 PolarHBondContact OD1-ND2 3.39Å; N152-Q156 PolarHBondContact O-N 2.9Å; N152-Q156 VanDerWaalsContact O-N 3.14Å
153	C	83.2	Confident	91.4	Very high	41 Å²	41	58.3 Å²	58.3	28%	0.277	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-13	-165.5	81.4	0	0	0	0	115.1	G134 Y150 H151 N155 Q156	G134-C153 PolarHBondContact O-N 3.46Å; G134-C153 VanDerWaalsContact O-N 3.09Å; Y150-C153 HydrophobicContact CD1-CB 3.59Å; Y150-C153 HydrophobicContact CE1-CB 4.41Å; Y150-C153 HydrophobicContact CG-CB 4.29Å; H151-C153 PolarHBondContact O-N 3.06Å; C153-N155 PolarHBondContact O-N 3.28Å; C153-Q156 CarbonylContact C-O 3.59Å; C153-Q156 WeakPolarHBondContact CA-O 3.37Å
154	K	76.3	Confident	90.7	Very high	175 Å²	175	60.1 Å²	60.1	76%	0.761	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.4	165.9	-74.8	-179.2	178.2	-177.7	0	112.5	N152	N152-K154 PolarHBondContact O-N 2.73Å; N152-K154 VanDerWaalsContact O-N 3.1Å
155	N	77.1	Confident	90	Very high	124 Å²	124	60.5 Å²	60.5	66%	0.663	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	-12.6	-178.1	-60.1	-52.2	0	0	0	113.2	N152 C153	N152-N155 PolarHBondContact ND2-ND2 3.07Å; N152-N155 PolarHBondContact O-N 2.85Å; N152-N155 PolarHBondContact OD1-ND2 3.39Å; C153-N155 PolarHBondContact O-N 3.28Å
156	Q	83.3	Confident	89.3	Confident	107 Å²	107	63.5 Å²	63.5	50%	0.5	33%	0.329	S	S	.	.	S	Bend	trans	-138	136.6	-174.8	-63.7	-172.9	-3.7	0	0	111.4	N152 C153	N152-Q156 PolarHBondContact O-N 2.9Å; N152-Q156 VanDerWaalsContact O-N 3.14Å; C153-Q156 CarbonylContact C-O 3.59Å; C153-Q156 WeakPolarHBondContact CA-O 3.37Å
157	P	89.6	Confident	88.1	Confident	120 Å²	120	63.8 Å²	63.8	78%	0.779	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-67.3	150.1	174.7	29.6	-34.2	0	0	0	110.9
158	G	90.3	Very high	87	Confident	14 Å²	14	71.6 Å²	71.6	14%	0.144	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-67.4	139.7	174.5	0	0	0	0	0	112.2	L149	L149-G158 CarbonylContact O-C 3.28Å; L149-G158 WeakPolarHBondContact O-CA 3.46Å
159	V	94	Very high	86.2	Confident	92 Å²	92	70.9 Å²	70.9	56%	0.558	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.6	-178.2	-179.1	0	0	0	0	109.7	K148 L149 Y161	K148-V159 CarbonylContact C-O 3.59Å; K148-V159 VanDerWaalsContact CA-O 3.3Å; K148-V159 WeakPolarHBondContact CA-O 3.16Å; L149-V159 HydrophobicContact CB-CB 4.45Å; L149-V159 PolarHBondContact N-O 2.85Å; L149-V159 PolarHBondContact O-N 2.87Å; V159-Y161 PolarHBondContact O-N 2.9Å
160	T	94.1	Very high	85.1	Confident	60 Å²	60	74 Å²	74	37%	0.368	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	132.8	177.1	-59.2	0	0	0	0	111	N147 L165	N147-T160 CarbonylContact O-C 3.41Å; N147-T160 WeakPolarHBondContact O-CA 3.3Å; T160-L165 HydrophobicContact CG2-CB 3.98Å; T160-L165 HydrophobicContact CG2-CD1 4.23Å
161	Y	93.6	Very high	84.4	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	40%	0.404	C	S	.	.	S	Bend	trans	-146	131.7	175.1	-177.4	-90.3	0	0	0	111.3	W142 N147 L149 V159 F190 L197 G198 A200	W142-Y161 AromaticContact CD2-CD1 3.86Å; W142-Y161 HydrophobicContact CD2-CD1 3.86Å; W142-Y161 HydrophobicContact CD2-CE1 4.14Å; W142-Y161 AromaticContact CE2-CD1 3.53Å; W142-Y161 HydrophobicContact CE3-CD1 4.34Å; W142-Y161 HydrophobicContact CE3-CE1 4.15Å; W142-Y161 HydrophobicContact CG-CD1 4.27Å; W142-Y161 HydrophobicContact CH2-CD1 4.18Å; W142-Y161 HydrophobicContact CH2-CE1 4.02Å; W142-Y161 AromaticContact CZ2-CD1 3.73Å; W142-Y161 HydrophobicContact CZ2-CD1 3.73Å; W142-Y161 HydrophobicContact CZ2-CE1 4.05Å; W142-Y161 HydrophobicContact CZ3-CD1 4.48Å; W142-Y161 HydrophobicContact CZ3-CE1 4.09Å; W142-Y161 AromaticContact NE1-CD1 3.74Å; W142-Y161 PolarHBondContact NE1-O 2.89Å; N147-Y161 CarbonylContact C-O 3.52Å; N147-Y161 WeakPolarHBondContact CA-O 3.44Å; N147-Y161 VanDerWaalsContact CB-O 3.31Å; N147-Y161 WeakPolarHBondContact CB-O 3.27Å; N147-Y161 PolarHBondContact O-N 3.02Å; L149-Y161 HydrophobicContact CD1-CD2 3.73Å; L149-Y161 HydrophobicContact CD1-CG 3.84Å; L149-Y161 HydrophobicContact CD2-CD1 4.12Å; L149-Y161 HydrophobicContact CD2-CD2 4.44Å; L149-Y161 HydrophobicContact CD2-CG 3.88Å; L149-Y161 VanDerWaalsContact CG-CB 3.41Å; L149-Y161 HydrophobicContact CG-CD2 4.32Å; L149-Y161 HydrophobicContact CG-CG 3.91Å; V159-Y161 PolarHBondContact O-N 2.9Å; Y161-F190 HydrophobicContact CE1-CB 4.16Å; Y161-F190 AromaticContact CE1-CD2 3.71Å; Y161-F190 HydrophobicContact CE1-CD2 3.71Å; Y161-F190 HydrophobicContact CE1-CG 4.34Å; Y161-F190 AromaticContact CZ-CD2 3.95Å; Y161-F190 PolarHBondContact OH-N 3Å; Y161-L197 HydrophobicContact CE1-CB 3.94Å; Y161-L197 HydrophobicContact CE1-CD1 4.16Å; Y161-L197 HydrophobicContact CE2-CB 4.49Å; Y161-L197 WeakPolarHBondContact CE2-O 3.44Å; Y161-L197 VanDerWaalsContact OH-CB 3.24Å; Y161-L197 WeakPolarHBondContact OH-CB 3.46Å; Y161-G198 PolarHBondContact OH-O 2.79Å; Y161-A200 HydrophobicContact CD2-CB 4.22Å; Y161-A200 HydrophobicContact CE2-CB 3.85Å
162	P	91.1	Very high	83.9	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	42%	0.415	C	S	.	.	S	Bend	cis	-70.7	154.9	6.8	-26.2	39.3	0	0	0	115.6	F164 L165 F171 L197	P162-F164 HydrophobicContact CB-CD1 3.42Å; P162-F164 VanDerWaalsContact CB-CD1 3.42Å; P162-F164 HydrophobicContact CB-CE1 2.97Å; P162-F164 HydrophobicContact CB-CE2 4.31Å; P162-F164 HydrophobicContact CB-CG 4.27Å; P162-F164 HydrophobicContact CB-CZ 3.5Å; P162-F164 VanDerWaalsContact CB-CZ 3.5Å; P162-F164 HydrophobicContact CG-CD1 4.47Å; P162-F164 HydrophobicContact CG-CE1 3.59Å; P162-F164 HydrophobicContact CG-CZ 3.7Å; P162-F164 PolarHBondContact O-N 2.83Å; P162-F164 VanDerWaalsContact O-N 3.17Å; P162-L165 WeakPolarHBondContact O-CB 3.44Å; P162-L165 WeakPolarHBondContact O-CG 3.49Å; P162-L165 PolarHBondContact O-N 2.83Å; P162-L165 VanDerWaalsContact O-N 3.13Å; P162-F171 HydrophobicContact CG-CD1 4.47Å; P162-L197 HydrophobicContact CB-CB 4.45Å; P162-L197 HydrophobicContact CG-CB 4.12Å; P162-L197 HydrophobicContact CG-CD1 3.9Å; P162-L197 HydrophobicContact CG-CD2 3.92Å; P162-L197 HydrophobicContact CG-CG 4.19Å
163	V	87.4	Confident	83.9	Confident	106 Å²	106	73 Å²	73	64%	0.642	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.1	-172.2	-179.4	0	0	0	0	113.3	L165	V163-L165 VanDerWaalsContact C-N 3.27Å; V163-L165 PolarHBondContact O-N 2.79Å
164	F	83.4	Confident	84.5	Confident	37 Å²	37	72.8 Å²	72.8	16%	0.162	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.8	178	63	-100.8	0	0	0	114.1	L26 F31 P162 E166 F171 L197	L26-F164 HydrophobicContact CD1-CD1 3.44Å; L26-F164 VanDerWaalsContact CD1-CD1 3.44Å; L26-F164 HydrophobicContact CD1-CE1 3Å; L26-F164 HydrophobicContact CD1-CG 4.4Å; L26-F164 HydrophobicContact CD1-CZ 3.7Å; L26-F164 HydrophobicContact CD2-CB 3.88Å; L26-F164 HydrophobicContact CD2-CD1 3.19Å; L26-F164 HydrophobicContact CD2-CD2 3.69Å; L26-F164 HydrophobicContact CD2-CE1 3.48Å; L26-F164 VanDerWaalsContact CD2-CE1 3.48Å; L26-F164 HydrophobicContact CD2-CE2 3.97Å; L26-F164 HydrophobicContact CD2-CG 3.29Å; L26-F164 HydrophobicContact CD2-CZ 3.87Å; L26-F164 HydrophobicContact CG-CD1 3.89Å; L26-F164 HydrophobicContact CG-CE1 3.78Å; L26-F164 HydrophobicContact CG-CG 4.43Å; L26-F164 HydrophobicContact CG-CZ 4.26Å; F31-F164 HydrophobicContact CD1-CD1 4.49Å; F31-F164 AromaticContact CE1-CD1 3.78Å; F31-F164 HydrophobicContact CE1-CD1 3.78Å; F31-F164 HydrophobicContact CZ-CB 4.16Å; F31-F164 HydrophobicContact CZ-CD1 4.01Å; P162-F164 HydrophobicContact CB-CD1 3.42Å; P162-F164 VanDerWaalsContact CB-CD1 3.42Å; P162-F164 HydrophobicContact CB-CE1 2.97Å; P162-F164 HydrophobicContact CB-CE2 4.31Å; P162-F164 HydrophobicContact CB-CG 4.27Å; P162-F164 HydrophobicContact CB-CZ 3.5Å; P162-F164 VanDerWaalsContact CB-CZ 3.5Å; P162-F164 HydrophobicContact CG-CD1 4.47Å; P162-F164 HydrophobicContact CG-CE1 3.59Å; P162-F164 HydrophobicContact CG-CZ 3.7Å; P162-F164 PolarHBondContact O-N 2.83Å; P162-F164 VanDerWaalsContact O-N 3.17Å; F164-E166 PolarHBondContact O-N 2.92Å; F164-F171 HydrophobicContact CZ-CD2 4.39Å; F164-F171 HydrophobicContact CZ-CE2 4.27Å; F164-L197 HydrophobicContact CE1-CD2 4.18Å; F164-L197 HydrophobicContact CZ-CD2 4.48Å
165	L	82.9	Confident	85.5	Confident	14 Å²	14	67.2 Å²	67.2	7%	0.073	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-71.1	129.4	177.6	-65.4	176.8	0	0	0	109.8	N147 T160 P162 V163 E169 F171	N147-L165 HydrophobicContact CB-CD1 3.91Å; T160-L165 HydrophobicContact CG2-CB 3.98Å; T160-L165 HydrophobicContact CG2-CD1 4.23Å; P162-L165 WeakPolarHBondContact O-CB 3.44Å; P162-L165 WeakPolarHBondContact O-CG 3.49Å; P162-L165 PolarHBondContact O-N 2.83Å; P162-L165 VanDerWaalsContact O-N 3.13Å; V163-L165 VanDerWaalsContact C-N 3.27Å; V163-L165 PolarHBondContact O-N 2.79Å; L165-E169 HydrophobicContact CD2-CB 4.3Å; L165-E169 HydrophobicContact CD2-CG 3.99Å; L165-F171 HydrophobicContact CD1-CB 3.7Å; L165-F171 HydrophobicContact CD2-CB 3.82Å; L165-F171 HydrophobicContact CD2-CD2 4.43Å; L165-F171 HydrophobicContact CG-CB 4.33Å
166	E	79.4	Confident	86.6	Confident	124 Å²	124	63.1 Å²	63.1	58%	0.579	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-66.8	154.8	170.2	-65.1	-63.7	157.8	0	0	110.6	F164 D168 E169	F164-E166 PolarHBondContact O-N 2.92Å; E166-D168 PolarHBondContact O-N 3.24Å; E166-D168 VanDerWaalsContact O-N 3.1Å; E166-E169 HydrophobicContact CB-CB 4.3Å; E166-E169 PolarHBondContact O-N 2.88Å
167	P	68.4	Low	87.3	Confident	106 Å²	106	58.2 Å²	58.2	69%	0.688	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	120.1	167.1	-17.5	30.4	0	0	0	108
168	D	71.4	Confident	87.7	Confident	174 Å²	174	54 Å²	54	93%	0.93	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	0.7	-176.2	-44.6	-41	0	0	0	117.2	E166	E166-D168 PolarHBondContact O-N 3.24Å; E166-D168 VanDerWaalsContact O-N 3.1Å
169	E	78.8	Confident	88.1	Confident	58 Å²	58	53.3 Å²	53.3	27%	0.271	31%	0.305	S	S	.	.			trans	-82.3	123.1	169.2	-168.4	171.9	-158.4	0	0	111.2	L165 E166	L165-E169 HydrophobicContact CD2-CB 4.3Å; L165-E169 HydrophobicContact CD2-CG 3.99Å; E166-E169 HydrophobicContact CB-CB 4.3Å; E166-E169 PolarHBondContact O-N 2.88Å
170	S	73.1	Confident	88.3	Confident	77 Å²	77	49.2 Å²	49.2	54%	0.538	28%	0.28	S	S	.	.			trans	-92.3	116.8	174.6	63.9	0	0	0	0	111.2
171	F	84.1	Confident	88.6	Confident	21 Å²	21	46.3 Å²	46.3	9%	0.092	26%	0.262	C	S	.	.			trans	-83.5	115.4	167.7	-172.4	-107.9	0	0	0	110	V22 W142 N147 P162 F164 L165 L173 V192 L197	V22-F171 HydrophobicContact CB-CE2 4.39Å; V22-F171 HydrophobicContact CG1-CE2 4.03Å; V22-F171 HydrophobicContact CG1-CZ 4.05Å; V22-F171 HydrophobicContact CG2-CE2 3.76Å; V22-F171 HydrophobicContact CG2-CZ 3.81Å; W142-F171 HydrophobicContact CH2-CE1 4.29Å; W142-F171 HydrophobicContact CZ2-CD1 4.36Å; N147-F171 PolarHBondContact ND2-N 3.26Å; N147-F171 PolarHBondContact ND2-O 3.29Å; N147-F171 PolarHBondContact OD1-O 3.05Å; P162-F171 HydrophobicContact CG-CD1 4.47Å; F164-F171 HydrophobicContact CZ-CD2 4.39Å; F164-F171 HydrophobicContact CZ-CE2 4.27Å; L165-F171 HydrophobicContact CD1-CB 3.7Å; L165-F171 HydrophobicContact CD2-CB 3.82Å; L165-F171 HydrophobicContact CD2-CD2 4.43Å; L165-F171 HydrophobicContact CG-CB 4.33Å; F171-L173 HydrophobicContact CD1-CD1 3.87Å; F171-L173 HydrophobicContact CD1-CG 3.92Å; F171-L173 HydrophobicContact CE1-CD1 4.35Å; F171-L173 HydrophobicContact CE1-CG 3.9Å; F171-L173 PolarHBondContact O-N 2.98Å; F171-V192 HydrophobicContact CE1-CB 4.44Å; F171-V192 HydrophobicContact CE1-CG1 4.29Å; F171-V192 HydrophobicContact CE1-CG2 4.35Å; F171-V192 HydrophobicContact CZ-CB 4.33Å; F171-V192 HydrophobicContact CZ-CG1 4.15Å; F171-L197 HydrophobicContact CE1-CD1 4.32Å; F171-L197 HydrophobicContact CZ-CD2 4.37Å
172	V	87.4	Confident	88.8	Confident	80 Å²	80	47.1 Å²	47.1	49%	0.485	27%	0.267	S	S	.	.			trans	-89.8	107.5	178.6	-177.8	0	0	0	0	108.7
173	L	92.6	Very high	89.1	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.016	27%	0.268	C	S	.	.			trans	-75.3	135.9	176.9	-74.3	96.5	0	0	0	111.9	T106 R109 W142 L144 N147 F171 L177 V192	T106-L173 WeakPolarHBondContact CG2-O 3.47Å; R109-L173 PolarHBondContact NH1-O 3.35Å; W142-L173 HydrophobicContact CE3-CD2 4.35Å; W142-L173 HydrophobicContact CH2-CD1 4.13Å; W142-L173 HydrophobicContact CH2-CD2 3.37Å; W142-L173 HydrophobicContact CH2-CG 3.98Å; W142-L173 HydrophobicContact CZ2-CD1 3.84Å; W142-L173 HydrophobicContact CZ2-CD2 3.92Å; W142-L173 HydrophobicContact CZ2-CG 4.21Å; W142-L173 HydrophobicContact CZ3-CD2 3.6Å; L144-L173 HydrophobicContact CB-CD1 4.2Å; L144-L173 HydrophobicContact CD2-CD2 3.83Å; L144-L173 VanDerWaalsContact O-CD1 3.3Å; L144-L173 WeakPolarHBondContact O-CD1 3.49Å; N147-L173 WeakPolarHBondContact OD1-CD1 3.49Å; F171-L173 HydrophobicContact CD1-CD1 3.87Å; F171-L173 HydrophobicContact CD1-CG 3.92Å; F171-L173 HydrophobicContact CE1-CD1 4.35Å; F171-L173 HydrophobicContact CE1-CG 3.9Å; F171-L173 PolarHBondContact O-N 2.98Å; L173-L177 HydrophobicContact CD2-CD2 4.35Å; L173-V192 HydrophobicContact CD2-CG2 4.09Å
174	P	96.3	Very high	89.5	Confident	37 Å²	37	43.9 Å²	43.9	24%	0.24	25%	0.246	C	C	.	.			trans	-67	175	168.7	34.4	-37.7	0	0	0	110.8	R109 S176 V192	R109-P174 PolarHBondContact NH2-O 2.85Å; P174-S176 PolarHBondContact O-N 2.82Å; P174-V192 HydrophobicContact CG-CG1 3.58Å
175	D	97.9	Very high	90.1	Very high	58 Å²	58	47.5 Å²	47.5	31%	0.31	26%	0.263	S	S	.	.	S	Bend	trans	-61.5	-29.4	-177.5	-67.5	-12.6	0	0	0	113.3	W104 T106	W104-D175 CarbonylContact C-O 3.55Å; W104-D175 PolarHBondContact N-O 2.93Å; W104-D175 VanDerWaalsContact O-O 3.13Å; T106-D175 WeakPolarHBondContact CB-OD1 3.27Å; T106-D175 WeakPolarHBondContact CG2-OD1 3.42Å; T106-D175 PolarHBondContact N-OD1 2.88Å; T106-D175 PolarHBondContact OG1-OD1 3.2Å
176	S	98.4	Very high	90.8	Very high	38 Å²	38	46.9 Å²	46.9	27%	0.266	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.4	-176.8	-62.7	0	0	0	0	112.8	I102 H103 P174	I102-S176 VanDerWaalsContact O-CA 3.29Å; I102-S176 WeakPolarHBondContact O-CA 3.47Å; H103-S176 PolarHBondContact ND1-OG 2.96Å; P174-S176 PolarHBondContact O-N 2.82Å
177	L	98.4	Very high	91.7	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.8	169.6	65.1	136.1	0	0	0	110.9	Q101 I102 V115 W142 L144 L173 V179 F190 V192	Q101-L177 WeakPolarHBondContact CA-O 3.49Å; I102-L177 HydrophobicContact CB-CD2 4.37Å; I102-L177 HydrophobicContact CB-CG 4.37Å; I102-L177 HydrophobicContact CG2-CD2 4.48Å; I102-L177 PolarHBondContact N-O 2.89Å; I102-L177 PolarHBondContact O-N 2.82Å; V115-L177 HydrophobicContact CG1-CD1 4.45Å; W142-L177 HydrophobicContact CE3-CD1 4.29Å; W142-L177 HydrophobicContact CZ3-CD1 4.18Å; L144-L177 HydrophobicContact CD1-CD2 4.11Å; L144-L177 HydrophobicContact CD2-CD2 4.49Å; L173-L177 HydrophobicContact CD2-CD2 4.35Å; L177-V179 HydrophobicContact CD1-CG2 4.24Å; L177-F190 HydrophobicContact CD1-CD1 3.66Å; L177-F190 HydrophobicContact CD1-CE1 4.23Å; L177-V192 HydrophobicContact CB-CG2 3.93Å
178	L	98.7	Very high	93.1	Very high	31 Å²	31	36.5 Å²	36.5	16%	0.162	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	137.9	168.2	-54.9	-179.1	0	0	0	110	L41 V99 W100 Q101 F190 M191 I227	L41-L178 HydrophobicContact CD2-CD1 4.04Å; V99-L178 HydrophobicContact CG1-CB 4.22Å; V99-L178 HydrophobicContact CG1-CD1 4.38Å; W100-L178 WeakPolarHBondContact O-CA 3.17Å; Q101-L178 HydrophobicContact CB-CD2 3.64Å; Q101-L178 HydrophobicContact CG-CD2 4.04Å; L178-F190 CarbonylContact O-C 3.48Å; L178-F190 WeakPolarHBondContact O-CA 3.25Å; L178-M191 HydrophobicContact CB-CB 4.08Å; L178-M191 HydrophobicContact CD1-CB 4.42Å; L178-M191 HydrophobicContact CD1-SD 4.31Å; L178-M191 PolarHBondContact N-O 3.26Å; L178-M191 PolarHBondContact O-N 3.06Å; L178-I227 HydrophobicContact CD2-CG1 4.21Å
179	V	98.9	Very high	94.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.4	170	-171.8	0	0	0	0	107.5	V99 W100 I102 V115 L177 L188 F190	V99-V179 WeakPolarHBondContact CA-O 3.21Å; W100-V179 HydrophobicContact CD2-CB 4.09Å; W100-V179 HydrophobicContact CD2-CG1 4.47Å; W100-V179 HydrophobicContact CG-CB 4.34Å; W100-V179 HydrophobicContact CH2-CG1 4.06Å; W100-V179 HydrophobicContact CZ2-CB 3.88Å; W100-V179 HydrophobicContact CZ2-CG1 3.38Å; W100-V179 PolarHBondContact N-O 2.87Å; W100-V179 VanDerWaalsContact N-O 3.14Å; W100-V179 PolarHBondContact O-N 2.94Å; I102-V179 HydrophobicContact CG1-CG2 3.99Å; V115-V179 HydrophobicContact CG1-CG2 3.66Å; L177-V179 HydrophobicContact CD1-CG2 4.24Å; V179-L188 HydrophobicContact CG1-CD1 3.65Å; V179-F190 HydrophobicContact CB-CD1 4.4Å; V179-F190 HydrophobicContact CB-CE1 4.36Å; V179-F190 HydrophobicContact CG1-CD1 4.29Å; V179-F190 HydrophobicContact CG1-CE1 3.9Å; V179-F190 HydrophobicContact CG2-CD1 4.05Å; V179-F190 HydrophobicContact CG2-CE1 3.92Å
180	V	98.8	Very high	95.3	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.03	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	109.8	-176.4	-177	0	0	0	0	108.6	L37 L97 V99 L188 S189 M191	L37-V180 HydrophobicContact CD1-CB 4.46Å; L37-V180 HydrophobicContact CD1-CG1 3.72Å; L37-V180 HydrophobicContact CD1-CG2 3.85Å; L37-V180 HydrophobicContact CD2-CG1 4Å; L37-V180 HydrophobicContact CD2-CG2 3.99Å; L37-V180 HydrophobicContact CG-CG1 4.41Å; L97-V180 HydrophobicContact CD1-CG1 3.68Å; V99-V180 HydrophobicContact CG1-CG2 4.41Å; V99-V180 HydrophobicContact CG2-CB 4.47Å; V99-V180 HydrophobicContact CG2-CG1 4.16Å; V99-V180 HydrophobicContact CG2-CG2 4.13Å; V180-L188 WeakPolarHBondContact O-CA 3.43Å; V180-S189 PolarHBondContact N-O 3.43Å; V180-S189 PolarHBondContact O-N 3.31Å; V180-M191 HydrophobicContact CG2-CG 4.24Å; V180-M191 HydrophobicContact CG2-SD 4.48Å
181	L	98.8	Very high	96.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	112.9	177	177.9	67.3	0	0	0	109.2	Y93 L97 H98 W100 V117 M183 L188 L204 L209	Y93-L181 HydrophobicContact CD2-CD2 3.87Å; Y93-L181 HydrophobicContact CG-CD2 4.33Å; L97-L181 CarbonylContact C-O 3.51Å; L97-L181 WeakPolarHBondContact CA-O 3.43Å; H98-L181 PolarHBondContact N-O 3.11Å; H98-L181 PolarHBondContact O-N 3.17Å; W100-L181 HydrophobicContact CH2-CB 3.66Å; W100-L181 HydrophobicContact CH2-CD2 3.99Å; W100-L181 HydrophobicContact CH2-CG 4.46Å; W100-L181 HydrophobicContact CZ3-CB 3.73Å; W100-L181 HydrophobicContact CZ3-CD2 4.24Å; V117-L181 HydrophobicContact CG1-CD1 4.37Å; V117-L181 HydrophobicContact CG1-CD2 4.26Å; L181-M183 HydrophobicContact CD1-SD 3.76Å; L181-M183 HydrophobicContact CD2-CG 4.01Å; L181-M183 HydrophobicContact CD2-SD 3.78Å; L181-M183 HydrophobicContact CG-CG 4.01Å; L181-M183 HydrophobicContact CG-SD 3.82Å; L181-L188 HydrophobicContact CB-CD1 4.22Å; L181-L188 HydrophobicContact CD1-CD1 4.18Å; L181-L204 HydrophobicContact CD1-CD1 3.91Å; L181-L209 HydrophobicContact CD1-CD1 4.25Å; L181-L209 HydrophobicContact CD2-CB 4.25Å
182	D	98.3	Very high	97	Very high	17 Å²	17	21.1 Å²	21.1	9%	0.091	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	102.7	171.1	-165.3	-38.6	0	0	0	108.3	R36 L97 D184 E185 G186 T187	R36-D182 IonicContact NH1-OD2 2.97Å; L97-D182 HydrophobicContact CD1-CB 3.71Å; D182-D184 VanDerWaalsContact C-N 3.31Å; D182-D184 WeakPolarHBondContact OD1-CA 3.14Å; D182-D184 WeakPolarHBondContact OD1-CB 3.32Å; D182-D184 PolarHBondContact OD1-N 3.1Å; D182-E185 HydrophobicContact CB-CB 4.23Å; D182-E185 PolarHBondContact OD1-N 3.13Å; D182-G186 CarbonylContact O-C 3.54Å; D182-G186 WeakPolarHBondContact O-CA 3.39Å; D182-G186 PolarHBondContact O-N 2.98Å; D182-T187 PolarHBondContact N-O 3.37Å; D182-T187 PolarHBondContact O-N 2.82Å
183	M	98.2	Very high	97.1	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.025	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-19.2	178	-69.1	-57.8	-62.9	0	0	112.4	R95 G96 L181 L204 K207 L209	R95-M183 VanDerWaalsContact CA-CB 3.48Å; G96-M183 WeakPolarHBondContact O-CB 3.42Å; G96-M183 PolarHBondContact O-N 2.97Å; L181-M183 HydrophobicContact CD1-SD 3.76Å; L181-M183 HydrophobicContact CD2-CG 4.01Å; L181-M183 HydrophobicContact CD2-SD 3.78Å; L181-M183 HydrophobicContact CG-CG 4.01Å; L181-M183 HydrophobicContact CG-SD 3.82Å; M183-L204 WeakPolarHBondContact CE-O 3.5Å; M183-K207 WeakPolarHBondContact CE-O 3.16Å; M183-L209 HydrophobicContact CE-CD1 4.31Å; M183-L209 HydrophobicContact CE-CG 4.32Å; M183-L209 HydrophobicContact SD-CB 4.3Å; M183-L209 HydrophobicContact SD-CD1 3.92Å; M183-L209 HydrophobicContact SD-CG 4.29Å
184	D	94.9	Very high	96.9	Very high	33 Å²	33	25.3 Å²	25.3	18%	0.176	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-43.1	177.1	-55.1	-35.5	0	0	0	110.1	R36 G96 D182 K205 P232	R36-D184 IonicContact CZ-OD2 2.78Å; R36-D184 IonicContact NH1-OD2 3.91Å; R36-D184 PolarHBondContact NH1-OD2 2.89Å; R36-D184 IonicContact NH2-OD2 3.31Å; R36-D184 PolarHBondContact NH2-OD2 3.14Å; G96-D184 WeakPolarHBondContact CA-OD1 3.42Å; G96-D184 VanDerWaalsContact CA-OD2 3.31Å; G96-D184 WeakPolarHBondContact CA-OD2 3.35Å; G96-D184 PolarHBondContact N-OD1 3.13Å; D182-D184 VanDerWaalsContact C-N 3.31Å; D182-D184 WeakPolarHBondContact OD1-CA 3.14Å; D182-D184 WeakPolarHBondContact OD1-CB 3.32Å; D182-D184 PolarHBondContact OD1-N 3.1Å; D184-K205 VanDerWaalsContact O-CD 3.27Å; D184-K205 WeakPolarHBondContact O-CD 3.41Å; D184-K205 WeakPolarHBondContact O-CE 3.37Å; D184-K205 PolarHBondContact O-NZ 2.81Å; D184-P232 WeakPolarHBondContact OD1-CB 2.88Å; D184-P232 WeakPolarHBondContact OD2-CA 3.38Å; D184-P232 WeakPolarHBondContact OD2-CB 3.24Å
185	E	95.8	Very high	96.6	Very high	113 Å²	113	25.1 Å²	25.1	53%	0.528	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-14.7	172.4	-68.8	-55.5	147.1	0	0	113.2	D182 T187 K205	D182-E185 HydrophobicContact CB-CB 4.23Å; D182-E185 PolarHBondContact OD1-N 3.13Å; E185-T187 HydrophobicContact CB-CG2 4.11Å; E185-K205 WeakPolarHBondContact O-CE 3.1Å; E185-K205 IonicContact OE2-NZ 3.52Å
186	G	97.9	Very high	96.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	45.6	-178.8	0	0	0	0	0	112	D182 R202 G203 L204	D182-G186 CarbonylContact O-C 3.54Å; D182-G186 WeakPolarHBondContact O-CA 3.39Å; D182-G186 PolarHBondContact O-N 2.98Å; G186-R202 CarbonylContact O-C 3.32Å; G186-R202 WeakPolarHBondContact O-CA 3.45Å; G186-G203 PolarHBondContact O-N 3.45Å; G186-L204 WeakPolarHBondContact O-CB 3.44Å; G186-L204 PolarHBondContact O-N 3.17Å
187	T	98.5	Very high	96.3	Very high	12 Å²	12	21.4 Å²	21.4	7%	0.074	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.3	-177.9	68.6	0	0	0	0	112.7	D182 E185 V199 F201 R202	D182-T187 PolarHBondContact N-O 3.37Å; D182-T187 PolarHBondContact O-N 2.82Å; E185-T187 HydrophobicContact CB-CG2 4.11Å; T187-V199 HydrophobicContact CG2-CG1 4.08Å; T187-F201 CarbonylContact C-O 3.59Å; T187-F201 WeakPolarHBondContact CA-O 3.4Å; T187-F201 WeakPolarHBondContact CB-O 3.43Å; T187-R202 HydrophobicContact CG2-CG 4.19Å
188	L	98.8	Very high	96.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133	168.2	-176.2	70.7	0	0	0	108.3	V117 W140 V179 V180 L181 F190 A200 F201 L204	V117-L188 HydrophobicContact CG1-CD1 3.89Å; V117-L188 HydrophobicContact CG1-CD2 4.49Å; V117-L188 HydrophobicContact CG2-CD1 4.42Å; V117-L188 HydrophobicContact CG2-CD2 3.95Å; W140-L188 HydrophobicContact CB-CD2 4.48Å; V179-L188 HydrophobicContact CG1-CD1 3.65Å; V180-L188 WeakPolarHBondContact O-CA 3.43Å; L181-L188 HydrophobicContact CB-CD1 4.22Å; L181-L188 HydrophobicContact CD1-CD1 4.18Å; L188-F190 HydrophobicContact CD2-CE2 4.31Å; L188-F190 HydrophobicContact CD2-CZ 3.96Å; L188-F190 HydrophobicContact CG-CE2 4.39Å; L188-F190 HydrophobicContact CG-CZ 4.26Å; L188-A200 WeakPolarHBondContact O-CA 3.46Å; L188-A200 WeakPolarHBondContact O-CB 3.45Å; L188-A200 PolarHBondContact O-N 3.4Å; L188-F201 HydrophobicContact CB-CB 4.21Å; L188-F201 HydrophobicContact CB-CD2 4.1Å; L188-F201 HydrophobicContact CD2-CD2 3.66Å; L188-F201 HydrophobicContact CD2-CE2 4.05Å; L188-F201 HydrophobicContact CG-CD2 4.32Å; L188-F201 PolarHBondContact N-O 3.22Å; L188-F201 PolarHBondContact O-N 2.87Å; L188-L204 HydrophobicContact CB-CD1 3.77Å
189	S	98.4	Very high	96	Very high	2 Å²	2	22 Å²	22	1%	0.014	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	167.9	178.6	-47.8	0	0	0	0	110.4	V180 Y196 G198	V180-S189 PolarHBondContact N-O 3.43Å; V180-S189 PolarHBondContact O-N 3.31Å; S189-Y196 VanDerWaalsContact CB-CE2 3.41Å; S189-Y196 WeakPolarHBondContact CB-OH 3.43Å; S189-Y196 PolarHBondContact OG-OH 2.92Å; S189-G198 WeakPolarHBondContact CB-O 3.22Å
190	F	98.2	Very high	95.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.3	177.7	-58.6	-86.2	0	0	0	111.7	V115 W142 L149 Y161 L177 L178 V179 L188 L197 A200	V115-F190 HydrophobicContact CG1-CE1 4.26Å; W142-F190 HydrophobicContact CB-CD2 4.44Å; W142-F190 HydrophobicContact CB-CE1 4.42Å; W142-F190 HydrophobicContact CB-CE2 3.72Å; W142-F190 HydrophobicContact CB-CZ 3.7Å; W142-F190 HydrophobicContact CD2-CD2 4.29Å; W142-F190 HydrophobicContact CD2-CE2 4.42Å; W142-F190 HydrophobicContact CE3-CB 3.93Å; W142-F190 AromaticContact CE3-CD1 3.74Å; W142-F190 HydrophobicContact CE3-CD1 3.74Å; W142-F190 AromaticContact CE3-CD2 3.65Å; W142-F190 HydrophobicContact CE3-CD2 3.65Å; W142-F190 HydrophobicContact CE3-CE1 4.1Å; W142-F190 HydrophobicContact CE3-CE2 4.05Å; W142-F190 AromaticContact CE3-CG 3.48Å; W142-F190 HydrophobicContact CE3-CG 3.48Å; W142-F190 VanDerWaalsContact CE3-CG 3.48Å; W142-F190 HydrophobicContact CE3-CZ 4.25Å; W142-F190 HydrophobicContact CG-CE2 4.35Å; W142-F190 HydrophobicContact CZ3-CB 3.63Å; W142-F190 HydrophobicContact CZ3-CD1 4.17Å; W142-F190 HydrophobicContact CZ3-CD2 4.22Å; W142-F190 AromaticContact CZ3-CG 3.75Å; W142-F190 HydrophobicContact CZ3-CG 3.75Å; L149-F190 HydrophobicContact CD2-CE2 4.41Å; Y161-F190 HydrophobicContact CE1-CB 4.16Å; Y161-F190 AromaticContact CE1-CD2 3.71Å; Y161-F190 HydrophobicContact CE1-CD2 3.71Å; Y161-F190 HydrophobicContact CE1-CG 4.34Å; Y161-F190 AromaticContact CZ-CD2 3.95Å; Y161-F190 PolarHBondContact OH-N 3Å; L177-F190 HydrophobicContact CD1-CD1 3.66Å; L177-F190 HydrophobicContact CD1-CE1 4.23Å; L178-F190 CarbonylContact O-C 3.48Å; L178-F190 WeakPolarHBondContact O-CA 3.25Å; V179-F190 HydrophobicContact CB-CD1 4.4Å; V179-F190 HydrophobicContact CB-CE1 4.36Å; V179-F190 HydrophobicContact CG1-CD1 4.29Å; V179-F190 HydrophobicContact CG1-CE1 3.9Å; V179-F190 HydrophobicContact CG2-CD1 4.05Å; V179-F190 HydrophobicContact CG2-CE1 3.92Å; L188-F190 HydrophobicContact CD2-CE2 4.31Å; L188-F190 HydrophobicContact CD2-CZ 3.96Å; L188-F190 HydrophobicContact CG-CE2 4.39Å; L188-F190 HydrophobicContact CG-CZ 4.26Å; F190-L197 HydrophobicContact CB-CD1 4.39Å; F190-L197 WeakPolarHBondContact O-CB 3.37Å; F190-L197 PolarHBondContact O-N 2.81Å; F190-A200 HydrophobicContact CD2-CB 3.93Å; F190-A200 HydrophobicContact CE2-CB 3.73Å
191	M	96.6	Very high	95.9	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.02	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.6	166.7	-53.1	-179.4	56.1	0	0	111.1	L37 L41 L178 V180 G194 Q195 Y196	L37-M191 HydrophobicContact CD2-SD 3.8Å; L37-M191 HydrophobicContact CG-SD 4.32Å; L41-M191 HydrophobicContact CD1-CE 4.04Å; L41-M191 HydrophobicContact CD1-SD 3.64Å; L178-M191 HydrophobicContact CB-CB 4.08Å; L178-M191 HydrophobicContact CD1-CB 4.42Å; L178-M191 HydrophobicContact CD1-SD 4.31Å; L178-M191 PolarHBondContact N-O 3.26Å; L178-M191 PolarHBondContact O-N 3.06Å; V180-M191 HydrophobicContact CG2-CG 4.24Å; V180-M191 HydrophobicContact CG2-SD 4.48Å; M191-G194 VanDerWaalsContact CE-O 3.26Å; M191-G194 WeakPolarHBondContact CE-O 3.41Å; M191-Q195 CarbonylContact C-O 3.43Å; M191-Q195 WeakPolarHBondContact CA-O 3.4Å; M191-Q195 VanDerWaalsContact CB-O 3.3Å; M191-Q195 WeakPolarHBondContact CB-O 3.31Å; M191-Y196 HydrophobicContact CG-CD2 3.94Å
192	V	94.7	Very high	95.9	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.4	178.7	174.8	0	0	0	0	107.8	V22 W142 F171 L173 P174 L177 G194 Q195 L197	V22-V192 HydrophobicContact CG2-CG1 4.48Å; W142-V192 HydrophobicContact CH2-CG2 4.18Å; W142-V192 HydrophobicContact CZ3-CG2 4.3Å; F171-V192 HydrophobicContact CE1-CB 4.44Å; F171-V192 HydrophobicContact CE1-CG1 4.29Å; F171-V192 HydrophobicContact CE1-CG2 4.35Å; F171-V192 HydrophobicContact CZ-CB 4.33Å; F171-V192 HydrophobicContact CZ-CG1 4.15Å; L173-V192 HydrophobicContact CD2-CG2 4.09Å; P174-V192 HydrophobicContact CG-CG1 3.58Å; L177-V192 HydrophobicContact CB-CG2 3.93Å; V192-G194 PolarHBondContact O-N 3.42Å; V192-G194 VanDerWaalsContact O-N 3.1Å; V192-Q195 PolarHBondContact N-O 3.34Å; V192-Q195 WeakPolarHBondContact O-CA 3.41Å; V192-Q195 VanDerWaalsContact O-CB 3.29Å; V192-Q195 WeakPolarHBondContact O-CB 3.44Å; V192-Q195 PolarHBondContact O-N 3.06Å; V192-L197 HydrophobicContact CB-CD1 4.06Å; V192-L197 HydrophobicContact CG2-CD1 3.65Å
193	D	90.3	Very high	95.8	Very high	111 Å²	111	33.6 Å²	33.6	59%	0.594	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	38.3	-178.7	-63.3	-29.2	0	0	0	114.4	V22 Q195	V22-D193 HydrophobicContact CG1-CB 4.45Å; D193-Q195 PolarHBondContact O-N 3.38Å
194	G	87.4	Confident	95.9	Very high	61 Å²	61	33.4 Å²	33.4	63%	0.629	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.8	-4	-179.1	0	0	0	0	0	114.9	M191 V192	M191-G194 VanDerWaalsContact CE-O 3.26Å; M191-G194 WeakPolarHBondContact CE-O 3.41Å; V192-G194 PolarHBondContact O-N 3.42Å; V192-G194 VanDerWaalsContact O-N 3.1Å
195	Q	90.8	Very high	95.9	Very high	33 Å²	33	37.3 Å²	37.3	15%	0.154	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.1	179.6	-175.3	165.7	40.4	0	0	111.8	V22 R24 L26 M191 V192 D193 L197	V22-Q195 VanDerWaalsContact CG1-OE1 3.27Å; R24-Q195 PolarHBondContact O-NE2 3.25Å; L26-Q195 VanDerWaalsContact CD1-CD 3.5Å; L26-Q195 HydrophobicContact CD1-CG 3.98Å; L26-Q195 VanDerWaalsContact CD1-NE2 3.27Å; M191-Q195 CarbonylContact C-O 3.43Å; M191-Q195 WeakPolarHBondContact CA-O 3.4Å; M191-Q195 VanDerWaalsContact CB-O 3.3Å; M191-Q195 WeakPolarHBondContact CB-O 3.31Å; V192-Q195 PolarHBondContact N-O 3.34Å; V192-Q195 WeakPolarHBondContact O-CA 3.41Å; V192-Q195 VanDerWaalsContact O-CB 3.29Å; V192-Q195 WeakPolarHBondContact O-CB 3.44Å; V192-Q195 PolarHBondContact O-N 3.06Å; D193-Q195 PolarHBondContact O-N 3.38Å; Q195-L197 HydrophobicContact CG-CD2 4.27Å
196	Y	94.4	Very high	95.9	Very high	16 Å²	16	35.9 Å²	35.9	6%	0.063	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	125.2	172.4	-178.5	-108.4	0	0	0	110.4	P34 L37 S189 M191 G198	P34-Y196 HydrophobicContact CG-CE1 4.49Å; L37-Y196 HydrophobicContact CD2-CD2 3.78Å; L37-Y196 HydrophobicContact CD2-CE2 3.95Å; S189-Y196 VanDerWaalsContact CB-CE2 3.41Å; S189-Y196 WeakPolarHBondContact CB-OH 3.43Å; S189-Y196 PolarHBondContact OG-OH 2.92Å; M191-Y196 HydrophobicContact CG-CD2 3.94Å; Y196-G198 VanDerWaalsContact CE1-CA 3.47Å
197	L	94.7	Very high	95.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	6.3	-171.2	-59.2	177.9	0	0	0	113.2	L26 W142 Y161 P162 F164 F171 F190 V192 Q195	L26-L197 HydrophobicContact CD1-CD2 4.17Å; W142-L197 HydrophobicContact CH2-CD1 3.6Å; W142-L197 HydrophobicContact CZ3-CD1 4.09Å; Y161-L197 HydrophobicContact CE1-CB 3.94Å; Y161-L197 HydrophobicContact CE1-CD1 4.16Å; Y161-L197 HydrophobicContact CE2-CB 4.49Å; Y161-L197 WeakPolarHBondContact CE2-O 3.44Å; Y161-L197 VanDerWaalsContact OH-CB 3.24Å; Y161-L197 WeakPolarHBondContact OH-CB 3.46Å; P162-L197 HydrophobicContact CB-CB 4.45Å; P162-L197 HydrophobicContact CG-CB 4.12Å; P162-L197 HydrophobicContact CG-CD1 3.9Å; P162-L197 HydrophobicContact CG-CD2 3.92Å; P162-L197 HydrophobicContact CG-CG 4.19Å; F164-L197 HydrophobicContact CE1-CD2 4.18Å; F164-L197 HydrophobicContact CZ-CD2 4.48Å; F171-L197 HydrophobicContact CE1-CD1 4.32Å; F171-L197 HydrophobicContact CZ-CD2 4.37Å; F190-L197 HydrophobicContact CB-CD1 4.39Å; F190-L197 WeakPolarHBondContact O-CB 3.37Å; F190-L197 PolarHBondContact O-N 2.81Å; V192-L197 HydrophobicContact CB-CD1 4.06Å; V192-L197 HydrophobicContact CG2-CD1 3.65Å; Q195-L197 HydrophobicContact CG-CD2 4.27Å
198	G	95	Very high	95.9	Very high	4 Å²	4	44.2 Å²	44.2	4%	0.041	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	84.2	173.5	-176.3	0	0	0	0	0	113.4	D30 Y161 S189 Y196 A200	D30-G198 VanDerWaalsContact O-CA 3.27Å; D30-G198 WeakPolarHBondContact O-CA 3.49Å; Y161-G198 PolarHBondContact OH-O 2.79Å; S189-G198 WeakPolarHBondContact CB-O 3.22Å; Y196-G198 VanDerWaalsContact CE1-CA 3.47Å; G198-A200 PolarHBondContact O-N 3.37Å
199	V	96.8	Very high	95.9	Very high	43 Å²	43	44.2 Å²	44.2	26%	0.261	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	122.7	-179.7	177.3	0	0	0	0	110.4	T187 F201 R202	T187-V199 HydrophobicContact CG2-CG1 4.08Å; V199-F201 VanDerWaalsContact CG1-O 3.22Å; V199-F201 WeakPolarHBondContact CG1-O 3.46Å; V199-R202 HydrophobicContact CG1-CG 3.69Å
200	A	97.5	Very high	96	Very high	16 Å²	16	45.6 Å²	45.6	13%	0.132	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-46	175.4	0	0	0	0	0	111.7	L149 Y161 L188 F190 G198	L149-A200 HydrophobicContact CD1-CB 3.63Å; L149-A200 VanDerWaalsContact CD1-O 3.29Å; L149-A200 WeakPolarHBondContact CD1-O 3.32Å; L149-A200 HydrophobicContact CD2-CB 3.77Å; L149-A200 HydrophobicContact CG-CB 4.36Å; Y161-A200 HydrophobicContact CD2-CB 4.22Å; Y161-A200 HydrophobicContact CE2-CB 3.85Å; L188-A200 WeakPolarHBondContact O-CA 3.46Å; L188-A200 WeakPolarHBondContact O-CB 3.45Å; L188-A200 PolarHBondContact O-N 3.4Å; F190-A200 HydrophobicContact CD2-CB 3.93Å; F190-A200 HydrophobicContact CE2-CB 3.73Å; G198-A200 PolarHBondContact O-N 3.37Å
201	F	98.3	Very high	96	Very high	22 Å²	22	45.6 Å²	45.6	10%	0.096	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151.2	-179.4	-56.3	-84.2	0	0	0	111.7	W140 G141 L149 Y150 H151 T187 L188 V199	W140-F201 HydrophobicContact CB-CD1 4.17Å; W140-F201 HydrophobicContact CB-CD2 3.9Å; W140-F201 HydrophobicContact CB-CE1 4.21Å; W140-F201 HydrophobicContact CB-CE2 3.93Å; W140-F201 HydrophobicContact CB-CG 3.98Å; W140-F201 HydrophobicContact CB-CZ 4.07Å; W140-F201 AromaticContact CD1-CD1 3.55Å; W140-F201 AromaticContact CD1-CG 3.79Å; W140-F201 HydrophobicContact CG-CD1 4.26Å; W140-F201 HydrophobicContact CG-CG 4.23Å; G141-F201 WeakPolarHBondContact O-CZ 3.47Å; L149-F201 HydrophobicContact CB-CE1 3.9Å; L149-F201 HydrophobicContact CB-CE2 4.34Å; L149-F201 HydrophobicContact CB-CZ 3.6Å; L149-F201 HydrophobicContact CD2-CE2 3.81Å; L149-F201 HydrophobicContact CD2-CZ 3.92Å; L149-F201 HydrophobicContact CG-CE2 4.46Å; L149-F201 HydrophobicContact CG-CZ 4.19Å; Y150-F201 WeakPolarHBondContact O-CZ 3.34Å; H151-F201 HydrophobicContact CB-CD1 4.26Å; H151-F201 HydrophobicContact CB-CE1 3.84Å; T187-F201 CarbonylContact C-O 3.59Å; T187-F201 WeakPolarHBondContact CA-O 3.4Å; T187-F201 WeakPolarHBondContact CB-O 3.43Å; L188-F201 HydrophobicContact CB-CB 4.21Å; L188-F201 HydrophobicContact CB-CD2 4.1Å; L188-F201 HydrophobicContact CD2-CD2 3.66Å; L188-F201 HydrophobicContact CD2-CE2 4.05Å; L188-F201 HydrophobicContact CG-CD2 4.32Å; L188-F201 PolarHBondContact N-O 3.22Å; L188-F201 PolarHBondContact O-N 2.87Å; V199-F201 VanDerWaalsContact CG1-O 3.22Å; V199-F201 WeakPolarHBondContact CG1-O 3.46Å
202	R	97.8	Very high	96.1	Very high	171 Å²	171	45.6 Å²	45.6	65%	0.645	26%	0.264	S	S	*	.			trans	-127.9	170.3	174.6	-62.8	-174.5	177.5	-84.8	2.3	109.8	G186 T187 V199	G186-R202 CarbonylContact O-C 3.32Å; G186-R202 WeakPolarHBondContact O-CA 3.45Å; T187-R202 HydrophobicContact CG2-CG 4.19Å; V199-R202 HydrophobicContact CG1-CG 3.69Å
203	G	97.7	Very high	96.3	Very high	58 Å²	58	45.5 Å²	45.5	60%	0.598	26%	0.263	S	S	*	.			trans	82.1	25.2	175.9	0	0	0	0	0	114	G186 K207	G186-G203 PolarHBondContact O-N 3.45Å; G203-K207 WeakPolarHBondContact O-CE 3.29Å
204	L	98.5	Very high	96.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.235	C	C	.	.			trans	-90.7	-7.7	-178	-52.9	-177.9	0	0	0	113.8	W140 L181 M183 G186 L188 K207 L209	W140-L204 HydrophobicContact CD2-CD2 3.6Å; W140-L204 HydrophobicContact CE3-CD2 4.13Å; W140-L204 HydrophobicContact CG-CD2 4.01Å; W140-L204 HydrophobicContact CH2-CD2 4.36Å; W140-L204 HydrophobicContact CZ2-CD2 3.81Å; W140-L204 HydrophobicContact CZ3-CD2 4.49Å; L181-L204 HydrophobicContact CD1-CD1 3.91Å; M183-L204 WeakPolarHBondContact CE-O 3.5Å; G186-L204 WeakPolarHBondContact O-CB 3.44Å; G186-L204 PolarHBondContact O-N 3.17Å; L188-L204 HydrophobicContact CB-CD1 3.77Å; L204-K207 WeakPolarHBondContact O-CB 3.19Å; L204-K207 PolarHBondContact O-N 3.02Å; L204-L209 HydrophobicContact CB-CD1 3.78Å; L204-L209 HydrophobicContact CD1-CD1 4.01Å; L204-L209 HydrophobicContact CD2-CD1 4.09Å; L204-L209 HydrophobicContact CG-CD1 4.17Å
205	K	96.5	Very high	97.2	Very high	115 Å²	115	37.3 Å²	37.3	50%	0.5	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	145.1	179.8	-58.9	-163.9	-166.4	-155.8	0	111.1	D184 E185 K207	D184-K205 VanDerWaalsContact O-CD 3.27Å; D184-K205 WeakPolarHBondContact O-CD 3.41Å; D184-K205 WeakPolarHBondContact O-CE 3.37Å; D184-K205 PolarHBondContact O-NZ 2.81Å; E185-K205 WeakPolarHBondContact O-CE 3.1Å; E185-K205 IonicContact OE2-NZ 3.52Å; K205-K207 PolarHBondContact O-N 3.13Å
206	G	94.9	Very high	97.6	Very high	83 Å²	83	36.2 Å²	36.2	86%	0.856	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.5	5.9	177.3	0	0	0	0	0	114.9
207	K	98.3	Very high	97.8	Very high	78 Å²	78	41 Å²	41	34%	0.339	22%	0.218	S	C	.	.			trans	-98.5	164.4	174.8	-57.8	-176.5	-173.9	-61.7	0	110.8	W140 M183 G203 L204 K205 L209	W140-K207 HydrophobicContact CH2-CD 3.57Å; W140-K207 HydrophobicContact CZ2-CD 4.06Å; W140-K207 HydrophobicContact CZ3-CD 4.34Å; M183-K207 WeakPolarHBondContact CE-O 3.16Å; G203-K207 WeakPolarHBondContact O-CE 3.29Å; L204-K207 WeakPolarHBondContact O-CB 3.19Å; L204-K207 PolarHBondContact O-N 3.02Å; K205-K207 PolarHBondContact O-N 3.13Å; K207-L209 HydrophobicContact CB-CD1 4.38Å; K207-L209 HydrophobicContact CB-CD2 3.95Å; K207-L209 HydrophobicContact CB-CG 3.89Å; K207-L209 HydrophobicContact CD-CD2 4.26Å
208	K	98.7	Very high	98	Very high	109 Å²	109	41.9 Å²	41.9	47%	0.474	23%	0.228	S	C	.	.			trans	-108.6	111.7	163	-175.1	176.4	-173.9	-168.3	0	108.4	G92 Y93 T94 Y210	G92-K208 WeakPolarHBondContact O-CE 3.41Å; Y93-K208 WeakPolarHBondContact O-CA 3.41Å; T94-K208 HydrophobicContact CG2-CB 3.73Å; T94-K208 HydrophobicContact CG2-CD 4.3Å; T94-K208 HydrophobicContact CG2-CG 3.74Å; K208-Y210 HydrophobicContact CD-CE2 4.32Å; K208-Y210 WeakPolarHBondContact CD-OH 3.5Å; K208-Y210 WeakPolarHBondContact CE-OH 3.41Å; K208-Y210 HydrophobicContact CG-CE2 4.07Å; K208-Y210 PolarHBondContact NZ-OH 3.38Å
209	L	98.9	Very high	98.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-117.7	132.1	-170.3	-63.8	-177.4	0	0	0	112.3	G92 Y93 V117 S118 T119 W140 L181 M183 L204 K207	G92-L209 CarbonylContact C-O 3.6Å; G92-L209 WeakPolarHBondContact CA-O 3.44Å; Y93-L209 WeakPolarHBondContact CD2-O 3.17Å; Y93-L209 PolarHBondContact N-O 2.91Å; Y93-L209 PolarHBondContact O-N 2.99Å; V117-L209 HydrophobicContact CB-CB 4.27Å; V117-L209 HydrophobicContact CG2-CD1 3.97Å; S118-L209 CarbonylContact O-C 3.5Å; S118-L209 WeakPolarHBondContact O-CA 3.35Å; T119-L209 HydrophobicContact CG2-CD2 4.08Å; W140-L209 HydrophobicContact CE3-CD2 4.14Å; W140-L209 HydrophobicContact CH2-CD2 4.24Å; W140-L209 HydrophobicContact CZ3-CD2 3.5Å; W140-L209 VanDerWaalsContact CZ3-CD2 3.5Å; L181-L209 HydrophobicContact CD1-CD1 4.25Å; L181-L209 HydrophobicContact CD2-CB 4.25Å; M183-L209 HydrophobicContact CE-CD1 4.31Å; M183-L209 HydrophobicContact CE-CG 4.32Å; M183-L209 HydrophobicContact SD-CB 4.3Å; M183-L209 HydrophobicContact SD-CD1 3.92Å; M183-L209 HydrophobicContact SD-CG 4.29Å; L204-L209 HydrophobicContact CB-CD1 3.78Å; L204-L209 HydrophobicContact CD1-CD1 4.01Å; L204-L209 HydrophobicContact CD2-CD1 4.09Å; L204-L209 HydrophobicContact CG-CD1 4.17Å; K207-L209 HydrophobicContact CB-CD1 4.38Å; K207-L209 HydrophobicContact CB-CD2 3.95Å; K207-L209 HydrophobicContact CB-CG 3.89Å; K207-L209 HydrophobicContact CD-CD2 4.26Å
210	Y	98.9	Very high	98.3	Very high	31 Å²	31	44.6 Å²	44.6	12%	0.122	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.7	-179.7	-59.4	-97.8	0	0	0	109.4	G89 V91 G92 V117 S118 A120 K208 I212	G89-Y210 WeakPolarHBondContact O-CD1 3.28Å; V91-Y210 VanDerWaalsContact C-CD1 3.5Å; G92-Y210 VanDerWaalsContact N-CD1 3.28Å; V117-Y210 CarbonylContact C-O 3.57Å; V117-Y210 WeakPolarHBondContact CA-O 3.41Å; S118-Y210 PolarHBondContact N-O 2.96Å; S118-Y210 PolarHBondContact O-N 3.02Å; A120-Y210 HydrophobicContact CB-CE2 4.1Å; K208-Y210 HydrophobicContact CD-CE2 4.32Å; K208-Y210 WeakPolarHBondContact CD-OH 3.5Å; K208-Y210 WeakPolarHBondContact CE-OH 3.41Å; K208-Y210 HydrophobicContact CG-CE2 4.07Å; K208-Y210 PolarHBondContact NZ-OH 3.38Å; Y210-I212 PolarHBondContact O-N 2.97Å
211	P	98.9	Very high	98.3	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	138.2	164.9	-23.2	34.1	0	0	0	110.2	R88 G89 Y93 W100 M224	R88-P211 CarbonylContact C-O 3.37Å; R88-P211 VanDerWaalsContact CA-O 3.25Å; R88-P211 WeakPolarHBondContact CA-O 3.31Å; G89-P211 PolarHBondContact N-O 2.86Å; Y93-P211 HydrophobicContact CE2-CG 3.82Å; W100-P211 HydrophobicContact CD2-CB 4.44Å; W100-P211 HydrophobicContact CD2-CG 4.12Å; W100-P211 HydrophobicContact CE3-CG 4.32Å; W100-P211 HydrophobicContact CH2-CB 4.47Å; W100-P211 HydrophobicContact CH2-CG 4.01Å; W100-P211 HydrophobicContact CZ2-CB 3.77Å; W100-P211 HydrophobicContact CZ2-CG 3.78Å; W100-P211 HydrophobicContact CZ3-CG 4.27Å; P211-M224 HydrophobicContact CB-CE 4.2Å; P211-M224 HydrophobicContact CB-SD 3.47Å; P211-M224 WeakPolarHBondContact CB-SD 3.42Å; P211-M224 HydrophobicContact CG-CE 4.48Å; P211-M224 HydrophobicContact CG-SD 3.99Å
212	I	98.9	Very high	98.3	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	151	178.6	-168.6	170.8	0	0	0	110.5	C86 R88 G116 S118 L124 V133 Y210	C86-I212 HydrophobicContact CB-CD1 4.02Å; C86-I212 HydrophobicContact CB-CG1 4.1Å; R88-I212 HydrophobicContact CG-CB 4.17Å; R88-I212 HydrophobicContact CG-CD1 3.97Å; R88-I212 HydrophobicContact CG-CG1 4.11Å; G116-I212 PolarHBondContact N-O 2.94Å; G116-I212 PolarHBondContact O-N 3.23Å; S118-I212 WeakPolarHBondContact OG-CD1 3.12Å; L124-I212 HydrophobicContact CD2-CD1 3.6Å; L124-I212 HydrophobicContact CD2-CG1 4.47Å; V133-I212 HydrophobicContact CG1-CG2 3.79Å; V133-I212 HydrophobicContact CG2-CB 4.47Å; V133-I212 HydrophobicContact CG2-CD1 3.99Å; V133-I212 HydrophobicContact CG2-CG1 3.87Å; V133-I212 HydrophobicContact CG2-CG2 3.87Å; Y210-I212 PolarHBondContact O-N 2.97Å
213	V	98.9	Very high	98.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.7	164.6	-60.4	0	0	0	0	110.3	W56 F75 C86 I87 W104 V114 V115	W56-V213 HydrophobicContact CH2-CG1 3.93Å; W56-V213 HydrophobicContact CH2-CG2 4.14Å; W56-V213 HydrophobicContact CZ2-CG1 4.36Å; W56-V213 HydrophobicContact CZ2-CG2 4.35Å; F75-V213 HydrophobicContact CE1-CG2 3.49Å; F75-V213 VanDerWaalsContact CE1-CG2 3.49Å; F75-V213 HydrophobicContact CZ-CG2 3.56Å; C86-V213 WeakPolarHBondContact CA-O 3.34Å; C86-V213 WeakPolarHBondContact CB-O 3.49Å; I87-V213 HydrophobicContact CG2-CG2 4.37Å; W104-V213 HydrophobicContact CZ3-CB 4.12Å; W104-V213 HydrophobicContact CZ3-CG1 4.41Å; V114-V213 CarbonylContact O-C 3.49Å; V114-V213 WeakPolarHBondContact O-CA 3.15Å; V114-V213 WeakPolarHBondContact O-CB 3.25Å; V115-V213 HydrophobicContact CB-CG1 4.34Å; V115-V213 HydrophobicContact CG1-CG1 4.33Å; V115-V213 HydrophobicContact CG2-CG1 3.93Å
214	S	98.8	Very high	98.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.2	162.9	58.9	0	0	0	0	110.7	D85 C86 W104 V114 V133	D85-S214 WeakPolarHBondContact O-CA 3.47Å; C86-S214 WeakPolarHBondContact SG-CB 3.49Å; W104-S214 WeakPolarHBondContact CH2-O 3.5Å; V114-S214 WeakPolarHBondContact CB-OG 3.44Å; V114-S214 WeakPolarHBondContact CG2-OG 3.35Å; V114-S214 PolarHBondContact N-O 3.44Å; V114-S214 VanDerWaalsContact N-O 3.13Å; V114-S214 PolarHBondContact O-N 2.98Å; V133-S214 PolarHBondContact N-OG 3Å
215	A	98.8	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.3	-177.4	0	0	0	0	0	112.3	R77 D85 W104 I222	R77-A215 PolarHBondContact NE-O 2.97Å; D85-A215 PolarHBondContact N-O 2.85Å; D85-A215 PolarHBondContact O-N 2.84Å; W104-A215 HydrophobicContact CH2-CB 3.65Å; W104-A215 HydrophobicContact CZ2-CB 3.63Å; A215-I222 HydrophobicContact CB-CD1 4.35Å
216	V	98.7	Very high	98.6	Very high	9 Å²	9	36.2 Å²	36.2	6%	0.055	18%	0.184	C	C	.	.			trans	-125	-10.9	178.4	-60.5	0	0	0	0	113.6	R77 T84 H112 Y129	R77-V216 VanDerWaalsContact NH1-C 3.35Å; R77-V216 PolarHBondContact NH1-O 2.78Å; T84-V216 HydrophobicContact CG2-CG1 4Å; T84-V216 WeakPolarHBondContact OG1-CG1 3.42Å; H112-V216 HydrophobicContact CB-CG1 3.93Å; H112-V216 HydrophobicContact CB-CG2 4.17Å; H112-V216 WeakPolarHBondContact O-CG2 3.42Å; Y129-V216 HydrophobicContact CD1-CB 3.7Å; Y129-V216 HydrophobicContact CD1-CG1 3.88Å; Y129-V216 HydrophobicContact CE1-CB 4.25Å; Y129-V216 HydrophobicContact CG-CB 4.44Å; Y129-V216 HydrophobicContact CG-CG1 4.48Å
217	W	98.6	Very high	98.7	Very high	116 Å²	116	33.9 Å²	33.9	44%	0.439	15%	0.152	S	C	.	.	S	Bend	trans	-80.3	134.4	-174.8	-170.6	-96.5	0	0	0	111	R77 Q108 G110 C220	R77-W217 WeakPolarHBondContact CD-O 3.42Å; R77-W217 PolarHBondContact NH1-O 2.95Å; Q108-W217 HydrophobicContact CB-CG 4.5Å; Q108-W217 WeakPolarHBondContact O-CB 3.45Å; G110-W217 VanDerWaalsContact CA-CE3 3.4Å; W217-C220 HydrophobicContact CB-CB 4.03Å; W217-C220 HydrophobicContact CG-CB 4.42Å; W217-C220 PolarHBondContact O-SG 3.48Å
218	G	98.4	Very high	98.7	Very high	20 Å²	20	31.2 Å²	31.2	21%	0.206	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	136.4	175.3	0	0	0	0	0	110.6	C220	G218-C220 PolarHBondContact O-N 2.79Å
219	H	98.5	Very high	98.6	Very high	105 Å²	105	27.3 Å²	27.3	49%	0.486	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	19.2	-178	-50.8	-65	0	0	0	115.2	H76 R77 P79	H76-H219 AromaticContact CE1-ND1 3.66Å; H76-H219 AromaticContact NE2-CG 4Å; H76-H219 AromaticContact NE2-ND1 3.24Å; H76-H219 PolarHBondContact NE2-ND1 2.75Å; R77-H219 VanDerWaalsContact O-CA 3.27Å; R77-H219 WeakPolarHBondContact O-CA 3.4Å; R77-H219 PolarHBondContact O-N 2.84Å; P79-H219 WeakPolarHBondContact CG-NE2 3.49Å
220	C	98.8	Very high	98.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.			trans	-67.7	140	171.6	64.1	0	0	0	0	110.6	H76 R77 Q108 W217 G218 I222	H76-C220 WeakPolarHBondContact CA-O 3.18Å; R77-C220 VanDerWaalsContact CB-SG 3.53Å; R77-C220 PolarHBondContact N-O 3.02Å; Q108-C220 HydrophobicContact CB-CB 3.86Å; Q108-C220 WeakPolarHBondContact O-CB 3.41Å; Q108-C220 VanDerWaalsContact OE1-CA 3.3Å; W217-C220 HydrophobicContact CB-CB 4.03Å; W217-C220 HydrophobicContact CG-CB 4.42Å; W217-C220 PolarHBondContact O-SG 3.48Å; G218-C220 PolarHBondContact O-N 2.79Å; C220-I222 HydrophobicContact CB-CD1 3.95Å; C220-I222 VanDerWaalsContact SG-CD1 3.52Å
221	E	98.9	Very high	97.8	Very high	59 Å²	59	30.5 Å²	30.5	28%	0.276	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.1	172.2	-62.5	-165.9	166.6	0	0	109.4	K68 T74 F75 H76 P105	K68-E221 IonicContact NZ-OE1 2.96Å; K68-E221 PolarHBondContact NZ-OE1 3.1Å; K68-E221 IonicContact NZ-OE2 3.95Å; K68-E221 PolarHBondContact NZ-OE2 2.94Å; T74-E221 HydrophobicContact CG2-CB 3.81Å; F75-E221 VanDerWaalsContact O-CA 3.23Å; F75-E221 WeakPolarHBondContact O-CA 3.45Å; H76-E221 HydrophobicContact CB-CG 4.29Å; H76-E221 IonicContact CE1-OE1 3.79Å; H76-E221 IonicContact CG-OE1 2.84Å; H76-E221 IonicContact ND1-OE1 3.21Å; H76-E221 PolarHBondContact ND1-OE1 2.83Å; P105-E221 WeakPolarHBondContact CD-O 3.29Å
222	I	98.9	Very high	97	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	120.4	-179	-61.4	99.8	0	0	0	109.8	W56 T74 F75 I102 W104 A215 C220	W56-I222 HydrophobicContact CZ2-CG2 4.24Å; W56-I222 PolarHBondContact NE1-O 2.76Å; W56-I222 VanDerWaalsContact NE1-O 3.07Å; T74-I222 WeakPolarHBondContact CA-O 3.49Å; F75-I222 HydrophobicContact CD1-CB 4.21Å; F75-I222 HydrophobicContact CE1-CB 3.63Å; F75-I222 HydrophobicContact CE1-CD1 4.11Å; F75-I222 HydrophobicContact CE1-CG1 4.37Å; F75-I222 HydrophobicContact CE1-CG2 4.15Å; F75-I222 HydrophobicContact CE2-CB 4.48Å; F75-I222 HydrophobicContact CE2-CD1 3.56Å; F75-I222 HydrophobicContact CZ-CB 3.8Å; F75-I222 HydrophobicContact CZ-CD1 3.33Å; F75-I222 HydrophobicContact CZ-CG1 4.05Å; F75-I222 PolarHBondContact N-O 3.44Å; F75-I222 PolarHBondContact O-N 2.79Å; F75-I222 VanDerWaalsContact O-N 3.16Å; I102-I222 HydrophobicContact CG2-CG2 3.87Å; W104-I222 HydrophobicContact CB-CG1 4.05Å; W104-I222 HydrophobicContact CB-CG2 4.31Å; W104-I222 HydrophobicContact CD2-CD1 4.08Å; W104-I222 HydrophobicContact CD2-CG1 3.46Å; W104-I222 VanDerWaalsContact CD2-CG1 3.46Å; W104-I222 HydrophobicContact CE3-CG1 3.97Å; W104-I222 HydrophobicContact CE3-CG2 4.49Å; W104-I222 HydrophobicContact CG-CD1 4.42Å; W104-I222 HydrophobicContact CG-CG1 3.5Å; W104-I222 HydrophobicContact CH2-CD1 4.47Å; W104-I222 HydrophobicContact CZ2-CD1 3.95Å; W104-I222 HydrophobicContact CZ2-CG1 4.26Å; A215-I222 HydrophobicContact CB-CD1 4.35Å; C220-I222 HydrophobicContact CB-CD1 3.95Å; C220-I222 VanDerWaalsContact SG-CD1 3.52Å
223	T	98.9	Very high	95.9	Very high	16 Å²	16	40.2 Å²	40.2	10%	0.098	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.4	178.3	-45.5	0	0	0	0	110.4	L73 T74 I102 H103 R225	L73-T223 HydrophobicContact CB-CG2 3.82Å; L73-T223 CarbonylContact O-C 3.59Å; L73-T223 WeakPolarHBondContact O-CA 3.37Å; T74-T223 VanDerWaalsContact OG1-CB 3.31Å; T74-T223 WeakPolarHBondContact OG1-CB 3.3Å; T74-T223 WeakPolarHBondContact OG1-CG2 3.48Å; T74-T223 PolarHBondContact OG1-OG1 3.2Å; I102-T223 WeakPolarHBondContact CA-O 3.3Å; H103-T223 PolarHBondContact N-O 3.08Å; H103-T223 PolarHBondContact O-N 2.9Å; T223-R225 HydrophobicContact CG2-CG 4.03Å
224	M	98.8	Very high	94.7	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.2	168.2	-178.6	173.9	63.1	0	0	110.9	H54 W56 L73 W100 Q101 I102 P211	H54-M224 WeakPolarHBondContact O-CE 3.29Å; W56-M224 HydrophobicContact CD2-CB 4.24Å; W56-M224 HydrophobicContact CD2-CE 3.88Å; W56-M224 HydrophobicContact CE3-CE 3.73Å; W56-M224 HydrophobicContact CE3-SD 4.39Å; W56-M224 HydrophobicContact CG-CE 4.49Å; W56-M224 HydrophobicContact CH2-CB 4.18Å; W56-M224 HydrophobicContact CH2-CE 4.21Å; W56-M224 HydrophobicContact CH2-SD 3.8Å; W56-M224 HydrophobicContact CZ2-CB 3.5Å; W56-M224 VanDerWaalsContact CZ2-CB 3.5Å; W56-M224 HydrophobicContact CZ2-CE 4.41Å; W56-M224 HydrophobicContact CZ2-CG 4.32Å; W56-M224 HydrophobicContact CZ2-SD 4.12Å; W56-M224 HydrophobicContact CZ3-CE 3.89Å; W56-M224 HydrophobicContact CZ3-SD 3.97Å; L73-M224 PolarHBondContact O-N 3.22Å; W100-M224 HydrophobicContact CB-CG 4.23Å; W100-M224 HydrophobicContact CG-CG 4.22Å; W100-M224 HydrophobicContact CG-SD 4.13Å; Q101-M224 WeakPolarHBondContact O-CA 3.2Å; I102-M224 HydrophobicContact CD1-CB 3.8Å; I102-M224 HydrophobicContact CD1-CG 3.82Å; I102-M224 HydrophobicContact CD1-SD 4.22Å; P211-M224 HydrophobicContact CB-CE 4.2Å; P211-M224 HydrophobicContact CB-SD 3.47Å; P211-M224 WeakPolarHBondContact CB-SD 3.42Å; P211-M224 HydrophobicContact CG-CE 4.48Å; P211-M224 HydrophobicContact CG-SD 3.99Å
225	R	98.8	Very high	93.4	Very high	115 Å²	115	48.4 Å²	48.4	43%	0.434	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	112.4	177.2	-60.5	-171.7	176.3	-154.7	-2	109.8	L73 W100 Q101 T223 I227	L73-R225 HydrophobicContact CD1-CG 4.2Å; W100-R225 CarbonylContact C-O 3.42Å; W100-R225 VanDerWaalsContact CA-O 3.31Å; W100-R225 WeakPolarHBondContact CA-O 3.11Å; Q101-R225 HydrophobicContact CB-CB 4.44Å; Q101-R225 PolarHBondContact N-O 2.95Å; Q101-R225 PolarHBondContact O-N 3.24Å; T223-R225 HydrophobicContact CG2-CG 4.03Å; R225-I227 PolarHBondContact O-N 3.45Å
226	Y	98.8	Very high	92.5	Very high	14 Å²	14	52 Å²	52	6%	0.055	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	127	172.9	-174	-104.8	0	0	0	110	A46 V50 Q51 H54 Y93 H98 W100 N228 G229	A46-Y226 HydrophobicContact CB-CD1 4Å; A46-Y226 HydrophobicContact CB-CE1 4.49Å; V50-Y226 HydrophobicContact CG1-CD1 4.09Å; V50-Y226 HydrophobicContact CG1-CE1 4.29Å; Q51-Y226 WeakPolarHBondContact CG-O 3.45Å; H54-Y226 HydrophobicContact CB-CD1 4.45Å; H54-Y226 HydrophobicContact CB-CD2 3.98Å; H54-Y226 HydrophobicContact CB-CG 3.77Å; H54-Y226 AromaticContact CD2-CD1 3.71Å; H54-Y226 AromaticContact CD2-CE1 3.92Å; H54-Y226 AromaticContact CD2-CG 3.89Å; H54-Y226 AromaticContact CG-CD2 3.86Å; H54-Y226 AromaticContact CG-CG 3.74Å; H54-Y226 AromaticContact NE2-CE1 3.92Å; Y93-Y226 HydrophobicContact CE1-CE2 4.14Å; Y93-Y226 AromaticContact CZ-CE2 3.93Å; Y93-Y226 VanDerWaalsContact OH-CD2 3.28Å; Y93-Y226 WeakPolarHBondContact OH-CD2 3.42Å; Y93-Y226 WeakPolarHBondContact OH-CE2 3.27Å; H98-Y226 HydrophobicContact CB-CE2 4.25Å; H98-Y226 AromaticContact ND1-CZ 3.93Å; H98-Y226 PolarHBondContact ND1-OH 2.84Å; W100-Y226 HydrophobicContact CB-CD2 4.42Å; Y226-N228 VanDerWaalsContact CZ-O 3.31Å; Y226-N228 VanDerWaalsContact OH-C 3.28Å; Y226-N228 PolarHBondContact OH-O 3.26Å; Y226-G229 WeakPolarHBondContact OH-CA 3.46Å; Y226-G229 PolarHBondContact OH-N 3.19Å; Y226-G229 VanDerWaalsContact OH-N 3.13Å
227	I	98.4	Very high	91.9	Very high	33 Å²	33	57.8 Å²	57.8	17%	0.169	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-60.6	-177	-59.1	-55.6	0	0	0	109.6	L41 A46 V99 Q101 L178 R225	L41-I227 HydrophobicContact CD2-CG2 4.24Å; A46-I227 VanDerWaalsContact CB-O 3.27Å; A46-I227 WeakPolarHBondContact CB-O 3.17Å; A46-I227 PolarHBondContact N-O 2.82Å; V99-I227 HydrophobicContact CB-CB 4.22Å; V99-I227 HydrophobicContact CG1-CB 4.1Å; V99-I227 HydrophobicContact CG1-CG1 4.12Å; V99-I227 WeakPolarHBondContact O-CA 3.47Å; V99-I227 WeakPolarHBondContact O-CB 3.47Å; V99-I227 PolarHBondContact O-N 3.11Å; Q101-I227 HydrophobicContact CB-CD1 4.11Å; Q101-I227 HydrophobicContact CB-CG1 4.43Å; L178-I227 HydrophobicContact CD2-CG1 4.21Å; R225-I227 PolarHBondContact O-N 3.45Å
228	N	97.7	Very high	91.4	Very high	22 Å²	22	57.7 Å²	57.7	12%	0.118	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	172.3	178.2	-93.7	-34.1	0	0	0	110.4	L40 P44 A46 V99 Y226	L40-N228 HydrophobicContact CD2-CB 3.55Å; L40-N228 HydrophobicContact CG-CB 3.83Å; P44-N228 PolarHBondContact O-ND2 2.94Å; A46-N228 PolarHBondContact N-OD1 3.13Å; V99-N228 PolarHBondContact N-O 2.95Å; V99-N228 PolarHBondContact O-N 2.67Å; Y226-N228 VanDerWaalsContact CZ-O 3.31Å; Y226-N228 VanDerWaalsContact OH-C 3.28Å; Y226-N228 PolarHBondContact OH-O 3.26Å
229	G	95.8	Very high	90.7	Very high	28 Å²	28	58.5 Å²	58.5	29%	0.289	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	156.1	167.9	0	0	0	0	0	111.9	L97 Y226	L97-G229 CarbonylContact O-C 3.53Å; L97-G229 WeakPolarHBondContact O-CA 3.37Å; Y226-G229 WeakPolarHBondContact OH-CA 3.46Å; Y226-G229 PolarHBondContact OH-N 3.19Å; Y226-G229 VanDerWaalsContact OH-N 3.13Å
230	L	93.6	Very high	90	Very high	11 Å²	11	56.9 Å²	56.9	6%	0.058	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126	171.3	-69.6	-178.6	0	0	0	109	R36 M39 L40 M43 G96 L97 L235	R36-L230 WeakPolarHBondContact O-CD1 2.97Å; M39-L230 HydrophobicContact CB-CD1 4.39Å; L40-L230 HydrophobicContact CB-CD1 3.76Å; L40-L230 HydrophobicContact CB-CG 3.98Å; L40-L230 HydrophobicContact CD1-CB 4.44Å; L40-L230 HydrophobicContact CD1-CD1 4.42Å; L40-L230 HydrophobicContact CD1-CG 3.98Å; L40-L230 HydrophobicContact CG-CD1 4.45Å; L40-L230 HydrophobicContact CG-CG 4.13Å; M43-L230 HydrophobicContact SD-CD2 3.88Å; G96-L230 CarbonylContact C-O 3.53Å; G96-L230 WeakPolarHBondContact CA-O 3.1Å; L97-L230 HydrophobicContact CB-CB 4.37Å; L97-L230 PolarHBondContact N-O 3.2Å; L97-L230 PolarHBondContact O-N 3.07Å; L230-L235 HydrophobicContact CD1-CD1 4.43Å; L230-L235 HydrophobicContact CD2-CD2 4.07Å
231	D	88.6	Confident	89.5	Confident	87 Å²	87	59.6 Å²	59.6	47%	0.465	32%	0.324	S	S	.	.			trans	-65.4	159.2	170.5	-81.1	-61.1	0	0	0	111.1	R36 R95 E233	R36-D231 PolarHBondContact NH2-O 3.08Å; R95-D231 IonicContact CZ-OD1 2.75Å; R95-D231 IonicContact NE-OD1 2.8Å; R95-D231 PolarHBondContact NE-OD1 3.04Å; R95-D231 IonicContact NH2-OD1 3.81Å; R95-D231 PolarHBondContact NH2-OD1 2.94Å; D231-E233 PolarHBondContact O-N 2.78Å
232	P	80.6	Confident	89.1	Confident	64 Å²	64	57.7 Å²	57.7	42%	0.416	32%	0.315	S	S	.	.	S	Bend	trans	-62.3	-15.8	176.1	15.7	-25.7	0	0	0	114.7	R95 D184	R95-P232 HydrophobicContact CB-CG 4.47Å; D184-P232 WeakPolarHBondContact OD1-CB 2.88Å; D184-P232 WeakPolarHBondContact OD2-CA 3.38Å; D184-P232 WeakPolarHBondContact OD2-CB 3.24Å
233	E	76.8	Confident	88.3	Confident	143 Å²	143	60.5 Å²	60.5	67%	0.668	33%	0.325	S	S	*	.	S	Bend	trans	-68.4	148.9	-175.9	-66.9	-177.7	-176	0	0	112	D231 L235	D231-E233 PolarHBondContact O-N 2.78Å; E233-L235 PolarHBondContact O-N 3.21Å
234	P	72.8	Confident	87.7	Confident	127 Å²	127	63.4 Å²	63.4	83%	0.825	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-54.1	130.4	171.4	-21.8	32	0	0	0	109.9
235	L	71.5	Confident	87.3	Confident	46 Å²	46	66.3 Å²	66.3	24%	0.241	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-63.2	145.2	177.7	-76.5	168.4	0	0	0	110.6	M39 L230 E233 L237 L240	M39-L235 HydrophobicContact CE-CD1 3.17Å; M39-L235 HydrophobicContact CE-CG 4.5Å; M39-L235 HydrophobicContact SD-CD1 3.9Å; L230-L235 HydrophobicContact CD1-CD1 4.43Å; L230-L235 HydrophobicContact CD2-CD2 4.07Å; E233-L235 PolarHBondContact O-N 3.21Å; L235-L237 PolarHBondContact O-N 2.8Å; L235-L240 HydrophobicContact CB-CD2 4.31Å; L235-L240 HydrophobicContact CB-CG 4.27Å
236	P	81.8	Confident	86.8	Confident	76 Å²	76	63.1 Å²	63.1	49%	0.494	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-51.1	139.6	173.5	-25.5	32.8	0	0	0	111.1	M238 D239 L240	P236-M238 PolarHBondContact O-N 3.42Å; P236-D239 WeakPolarHBondContact CD-OD2 3.46Å; P236-D239 PolarHBondContact O-N 2.77Å; P236-L240 PolarHBondContact O-N 2.82Å
237	L	85.4	Confident	86.1	Confident	130 Å²	130	69.8 Å²	69.8	68%	0.681	38%	0.379	S	S	*	.	H	α-helix	trans	-52.4	-34.5	178.8	179	61.4	0	0	0	111.9	L235 D239 L240 C241	L235-L237 PolarHBondContact O-N 2.8Å; L237-D239 VanDerWaalsContact C-N 3.34Å; L237-D239 PolarHBondContact O-N 3Å; L237-L240 PolarHBondContact O-N 2.8Å; L237-C241 WeakPolarHBondContact O-CB 3.49Å; L237-C241 PolarHBondContact O-N 3.1Å; L237-C241 PolarHBondContact O-SG 3.33Å
238	M	87.2	Confident	85.6	Confident	113 Å²	113	71.7 Å²	71.7	56%	0.557	40%	0.399	S	S	*	.	H	α-helix	trans	-59	-42.8	175.9	-66	-178.2	63.7	0	0	112.5	P236 C241 R242 Y269	P236-M238 PolarHBondContact O-N 3.42Å; M238-C241 PolarHBondContact O-N 2.79Å; M238-R242 WeakPolarHBondContact O-CB 3.41Å; M238-R242 PolarHBondContact O-N 3.38Å; M238-Y269 HydrophobicContact CB-CE1 4.13Å; M238-Y269 WeakPolarHBondContact CB-OH 3.21Å; M238-Y269 HydrophobicContact CE-CE1 4.31Å; M238-Y269 HydrophobicContact CE-CE2 4.34Å; M238-Y269 PolarHBondContact O-OH 3.46Å
239	D	83.3	Confident	85.1	Confident	37 Å²	37	71.9 Å²	71.9	20%	0.198	40%	0.4	C	S	.	.	H	α-helix	trans	-70.5	-38.6	-179.4	-67.8	-32.1	0	0	0	111	P236 L237 R242 R243 Y269	P236-D239 WeakPolarHBondContact CD-OD2 3.46Å; P236-D239 PolarHBondContact O-N 2.77Å; L237-D239 VanDerWaalsContact C-N 3.34Å; L237-D239 PolarHBondContact O-N 3Å; D239-R242 PolarHBondContact O-N 2.93Å; D239-R242 IonicContact OD1-CZ 3.46Å; D239-R242 IonicContact OD1-NH1 3.99Å; D239-R242 IonicContact OD1-NH2 2.69Å; D239-R242 PolarHBondContact OD1-NH2 2.84Å; D239-R243 PolarHBondContact O-N 3.04Å; D239-Y269 WeakPolarHBondContact CA-OH 3.49Å; D239-Y269 PolarHBondContact N-OH 3.34Å; D239-Y269 VanDerWaalsContact N-OH 3.12Å; D239-Y269 PolarHBondContact OD1-OH 3.35Å
240	L	84.4	Confident	84.5	Confident	71 Å²	71	71.9 Å²	71.9	37%	0.372	40%	0.4	S	S	.	.	H	α-helix	trans	-62.1	-46.8	173	-65.3	173.2	0	0	0	111.3	M39 L235 P236 L237 R243 S244	M39-L240 HydrophobicContact CE-CD2 3.62Å; M39-L240 HydrophobicContact SD-CD2 4.42Å; L235-L240 HydrophobicContact CB-CD2 4.31Å; L235-L240 HydrophobicContact CB-CG 4.27Å; P236-L240 PolarHBondContact O-N 2.82Å; L237-L240 PolarHBondContact O-N 2.8Å; L240-R243 PolarHBondContact O-N 3.07Å; L240-S244 PolarHBondContact O-N 3.08Å; L240-S244 PolarHBondContact O-OG 2.7Å
241	C	88.6	Confident	83.9	Confident	58 Å²	58	80 Å²	80	39%	0.392	43%	0.43	S	S	.	.	H	α-helix	trans	-61.8	-46.5	176.7	-74.3	0	0	0	0	111.7	L237 M238 R243 S244 I245	L237-C241 WeakPolarHBondContact O-CB 3.49Å; L237-C241 PolarHBondContact O-N 3.1Å; L237-C241 PolarHBondContact O-SG 3.33Å; M238-C241 PolarHBondContact O-N 2.79Å; C241-R243 VanDerWaalsContact C-N 3.29Å; C241-R243 PolarHBondContact O-N 2.99Å; C241-S244 PolarHBondContact O-N 2.95Å; C241-I245 WeakPolarHBondContact O-CG1 3.41Å; C241-I245 PolarHBondContact O-N 3.19Å
242	R	89.5	Confident	83.7	Confident	19 Å²	19	82.7 Å²	82.7	7%	0.072	44%	0.444	C	S	.	.	H	α-helix	trans	-56.1	-45.8	175.7	170.4	174.3	67.6	-160.8	-7.2	111.3	M238 D239 I245 R246 Y269 L270 Y272	M238-R242 WeakPolarHBondContact O-CB 3.41Å; M238-R242 PolarHBondContact O-N 3.38Å; D239-R242 PolarHBondContact O-N 2.93Å; D239-R242 IonicContact OD1-CZ 3.46Å; D239-R242 IonicContact OD1-NH1 3.99Å; D239-R242 IonicContact OD1-NH2 2.69Å; D239-R242 PolarHBondContact OD1-NH2 2.84Å; R242-I245 PolarHBondContact O-N 3.49Å; R242-R246 HydrophobicContact CG-CG 4.44Å; R242-R246 WeakPolarHBondContact O-CB 3.2Å; R242-R246 VanDerWaalsContact O-CG 3.29Å; R242-R246 WeakPolarHBondContact O-CG 3.43Å; R242-R246 PolarHBondContact O-N 3.44Å; R242-Y269 HydrophobicContact CB-CD1 4.3Å; R242-Y269 HydrophobicContact CB-CE1 3.66Å; R242-Y269 WeakPolarHBondContact CD-O 3.38Å; R242-Y269 HydrophobicContact CG-CE1 4.36Å; R242-Y269 VanDerWaalsContact NH1-CE2 3.27Å; R242-L270 HydrophobicContact CB-CD2 3.9Å; R242-L270 HydrophobicContact CG-CD2 3.82Å; R242-Y272 PolarHBondContact NE-OH 2.84Å
243	R	83.1	Confident	84.1	Confident	58 Å²	58	85.8 Å²	85.8	22%	0.219	45%	0.448	C	S	.	.	H	α-helix	trans	-60.4	-53.1	176.6	-174.9	-160.1	-172.5	-174.3	-4.2	111.1	D38 M39 D239 L240 C241 I245 R246 F247	D38-R243 IonicContact OD2-NH2 3.64Å; D38-R243 PolarHBondContact OD2-NH2 2.99Å; M39-R243 PolarHBondContact SD-NH1 2.7Å; D239-R243 PolarHBondContact O-N 3.04Å; L240-R243 PolarHBondContact O-N 3.07Å; C241-R243 VanDerWaalsContact C-N 3.29Å; C241-R243 PolarHBondContact O-N 2.99Å; R243-I245 PolarHBondContact O-N 3.05Å; R243-R246 PolarHBondContact O-N 3.36Å; R243-R246 VanDerWaalsContact O-N 3.14Å; R243-F247 VanDerWaalsContact O-CB 3.32Å; R243-F247 WeakPolarHBondContact O-CB 3.46Å; R243-F247 PolarHBondContact O-N 2.84Å
244	S	87.3	Confident	84.6	Confident	77 Å²	77	81 Å²	81	54%	0.538	43%	0.427	S	S	.	.	H	α-helix	trans	-56.3	-40.4	-177.4	-67.8	0	0	0	0	111.9	L240 C241 A248	L240-S244 PolarHBondContact O-N 3.08Å; L240-S244 PolarHBondContact O-OG 2.7Å; C241-S244 PolarHBondContact O-N 2.95Å; S244-A248 WeakPolarHBondContact O-CB 3.27Å; S244-A248 PolarHBondContact O-N 2.9Å
245	I	88.8	Confident	85.3	Confident	63 Å²	63	81.6 Å²	81.6	32%	0.323	42%	0.418	S	S	.	.	H	α-helix	trans	-66	-50.3	176.1	-66.8	164.6	0	0	0	111	C241 R242 R243 F247 A248 L249 L260 L270	C241-I245 WeakPolarHBondContact O-CG1 3.41Å; C241-I245 PolarHBondContact O-N 3.19Å; R242-I245 PolarHBondContact O-N 3.49Å; R243-I245 PolarHBondContact O-N 3.05Å; I245-F247 VanDerWaalsContact C-N 3.3Å; I245-F247 PolarHBondContact O-N 3.06Å; I245-A248 PolarHBondContact O-N 3.42Å; I245-L249 HydrophobicContact CG2-CD1 4.15Å; I245-L249 WeakPolarHBondContact O-CG 3.42Å; I245-L249 PolarHBondContact O-N 3.23Å; I245-L260 HydrophobicContact CG2-CD1 4.35Å; I245-L270 HydrophobicContact CB-CD2 4.07Å; I245-L270 HydrophobicContact CD1-CD1 4.49Å; I245-L270 HydrophobicContact CD1-CD2 4.02Å; I245-L270 HydrophobicContact CG2-CD1 3.88Å; I245-L270 HydrophobicContact CG2-CD2 4.06Å
246	R	89.1	Confident	86.2	Confident	49 Å²	49	81.5 Å²	81.5	19%	0.185	42%	0.418	C	S	.	.	H	α-helix	trans	-62.1	-37.6	179.3	-71.2	174.2	67	81.5	1.5	112.4	R242 R243 L249 G250 L254 L270	R242-R246 HydrophobicContact CG-CG 4.44Å; R242-R246 WeakPolarHBondContact O-CB 3.2Å; R242-R246 VanDerWaalsContact O-CG 3.29Å; R242-R246 WeakPolarHBondContact O-CG 3.43Å; R242-R246 PolarHBondContact O-N 3.44Å; R243-R246 PolarHBondContact O-N 3.36Å; R243-R246 VanDerWaalsContact O-N 3.14Å; R246-L249 PolarHBondContact O-N 3.18Å; R246-G250 PolarHBondContact O-N 2.88Å; R246-L254 HydrophobicContact CB-CD2 4.04Å; R246-L254 HydrophobicContact CG-CD2 4.01Å; R246-L270 WeakPolarHBondContact CD-O 3.42Å; R246-L270 PolarHBondContact NH1-O 3.27Å
247	F	84.5	Confident	86.7	Confident	154 Å²	154	77.9 Å²	77.9	68%	0.675	39%	0.394	S	S	*	.	H	α-helix	trans	-66.1	-44.6	175.8	-176.4	-93.8	0	0	0	111.5	R243 I245 L249 G250	R243-F247 VanDerWaalsContact O-CB 3.32Å; R243-F247 WeakPolarHBondContact O-CB 3.46Å; R243-F247 PolarHBondContact O-N 2.84Å; I245-F247 VanDerWaalsContact C-N 3.3Å; I245-F247 PolarHBondContact O-N 3.06Å; F247-L249 VanDerWaalsContact C-N 3.32Å; F247-L249 PolarHBondContact O-N 2.97Å; F247-G250 PolarHBondContact O-N 2.62Å; F247-G250 VanDerWaalsContact O-N 3.17Å
248	A	87.1	Confident	86.9	Confident	73 Å²	73	75.9 Å²	75.9	60%	0.603	38%	0.381	S	S	*	.	H	α-helix	trans	-64.5	-35.4	176.9	0	0	0	0	0	112.7	S244 I245 R253	S244-A248 WeakPolarHBondContact O-CB 3.27Å; S244-A248 PolarHBondContact O-N 2.9Å; I245-A248 PolarHBondContact O-N 3.42Å; A248-R253 PolarHBondContact O-NH2 3.48Å; A248-R253 VanDerWaalsContact O-NH2 3.15Å
249	L	88	Confident	87.2	Confident	25 Å²	25	76.8 Å²	76.8	13%	0.131	39%	0.387	C	S	.	.	H	α-helix	trans	-66.9	-42.1	171.5	-71.3	169.6	0	0	0	111.2	I245 R246 F247 R253 I257 L260	I245-L249 HydrophobicContact CG2-CD1 4.15Å; I245-L249 WeakPolarHBondContact O-CG 3.42Å; I245-L249 PolarHBondContact O-N 3.23Å; R246-L249 PolarHBondContact O-N 3.18Å; F247-L249 VanDerWaalsContact C-N 3.32Å; F247-L249 PolarHBondContact O-N 2.97Å; L249-R253 PolarHBondContact O-NE 3.49Å; L249-R253 PolarHBondContact O-NH2 3.17Å; L249-I257 HydrophobicContact CD1-CD1 4.28Å; L249-I257 HydrophobicContact CD1-CG1 3.57Å; L249-L260 HydrophobicContact CD1-CD1 4.25Å
250	G	83.2	Confident	87.6	Confident	28 Å²	28	77 Å²	77	29%	0.289	39%	0.388	S	S	.	.			trans	78	158.1	-170.3	0	0	0	0	0	111.7	R246 F247 D252 R253	R246-G250 PolarHBondContact O-N 2.88Å; F247-G250 PolarHBondContact O-N 2.62Å; F247-G250 VanDerWaalsContact O-N 3.17Å; G250-D252 VanDerWaalsContact C-N 3.28Å; G250-D252 PolarHBondContact O-N 3.12Å; G250-R253 PolarHBondContact O-N 2.78Å
251	R	80.8	Confident	88	Confident	182 Å²	182	79.9 Å²	79.9	69%	0.687	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-59.1	-37.8	-170.8	-70.4	-177.8	175.1	-177.5	-4.5	113.2	D42 R253 L254	D42-R251 IonicContact OD1-NH2 3.48Å; D42-R251 PolarHBondContact OD1-NH2 2.9Å; R251-R253 VanDerWaalsContact C-N 3.26Å; R251-R253 PolarHBondContact O-N 2.98Å; R251-L254 WeakPolarHBondContact O-CG 3.47Å; R251-L254 PolarHBondContact O-N 2.82Å
252	D	84.8	Confident	88.3	Confident	144 Å²	144	79.8 Å²	79.8	77%	0.77	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-68.7	-26.4	-175.7	-54.8	-41.7	0	0	0	112.7	G250 H255	G250-D252 VanDerWaalsContact C-N 3.28Å; G250-D252 PolarHBondContact O-N 3.12Å; D252-H255 PolarHBondContact O-CE1 3.16Å; D252-H255 PolarHBondContact O-ND1 3.46Å
253	R	88.1	Confident	88.5	Confident	129 Å²	129	82.7 Å²	82.7	49%	0.487	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-105.2	16.6	-176	-63.3	-175.4	-63.6	179.1	2.9	113.5	A248 L249 G250 R251 H255 D256	A248-R253 PolarHBondContact O-NH2 3.48Å; A248-R253 VanDerWaalsContact O-NH2 3.15Å; L249-R253 PolarHBondContact O-NE 3.49Å; L249-R253 PolarHBondContact O-NH2 3.17Å; G250-R253 PolarHBondContact O-N 2.78Å; R251-R253 VanDerWaalsContact C-N 3.26Å; R251-R253 PolarHBondContact O-N 2.98Å; R253-H255 PolarHBondContact O-N 2.83Å; R253-D256 HydrophobicContact CB-CB 4.44Å; R253-D256 WeakPolarHBondContact CB-OD2 3.39Å; R253-D256 WeakPolarHBondContact CG-OD2 3.46Å; R253-D256 VanDerWaalsContact O-CB 3.32Å; R253-D256 WeakPolarHBondContact O-CB 3.42Å; R253-D256 PolarHBondContact O-N 2.91Å
254	L	86.4	Confident	89	Confident	42 Å²	42	85.2 Å²	85.2	22%	0.22	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-64.5	-24.7	176.7	-70	174.9	0	0	0	112.5	R246 R251 D256 I257	R246-L254 HydrophobicContact CB-CD2 4.04Å; R246-L254 HydrophobicContact CG-CD2 4.01Å; R251-L254 WeakPolarHBondContact O-CG 3.47Å; R251-L254 PolarHBondContact O-N 2.82Å; L254-D256 PolarHBondContact O-N 3.47Å; L254-I257 HydrophobicContact CD2-CD1 4.14Å; L254-I257 WeakPolarHBondContact O-CB 3.43Å; L254-I257 VanDerWaalsContact O-CD1 3.26Å; L254-I257 WeakPolarHBondContact O-CD1 3.22Å; L254-I257 WeakPolarHBondContact O-CG1 3.3Å; L254-I257 PolarHBondContact O-N 3.13Å
255	H	87.5	Confident	89.2	Confident	139 Å²	139	85.5 Å²	85.5	64%	0.644	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-69.3	-22.9	172.9	63	-87	0	0	0	112.8	D252 R253 I257	D252-H255 PolarHBondContact O-CE1 3.16Å; D252-H255 PolarHBondContact O-ND1 3.46Å; R253-H255 PolarHBondContact O-N 2.83Å; H255-I257 PolarHBondContact O-N 2.78Å
256	D	91.6	Very high	89.4	Confident	44 Å²	44	86 Å²	86	24%	0.235	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-75.2	-0.6	176.4	-63.1	-32.6	0	0	0	113	R253 L254 E258 I259	R253-D256 HydrophobicContact CB-CB 4.44Å; R253-D256 WeakPolarHBondContact CB-OD2 3.39Å; R253-D256 WeakPolarHBondContact CG-OD2 3.46Å; R253-D256 VanDerWaalsContact O-CB 3.32Å; R253-D256 WeakPolarHBondContact O-CB 3.42Å; R253-D256 PolarHBondContact O-N 2.91Å; L254-D256 PolarHBondContact O-N 3.47Å; D256-E258 PolarHBondContact O-N 2.99Å; D256-I259 HydrophobicContact CB-CD1 3.95Å; D256-I259 HydrophobicContact CB-CG1 3.83Å; D256-I259 WeakPolarHBondContact O-CG1 3.35Å; D256-I259 PolarHBondContact O-N 2.72Å
257	I	91.7	Very high	89.6	Confident	0 Å²	0	85.2 Å²	85.2	0%	0	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-57.4	-32.4	173.5	-68.4	169	0	0	0	110.6	L249 L254 H255 I259 L260 K267 L270 Q271	L249-I257 HydrophobicContact CD1-CD1 4.28Å; L249-I257 HydrophobicContact CD1-CG1 3.57Å; L254-I257 HydrophobicContact CD2-CD1 4.14Å; L254-I257 WeakPolarHBondContact O-CB 3.43Å; L254-I257 VanDerWaalsContact O-CD1 3.26Å; L254-I257 WeakPolarHBondContact O-CD1 3.22Å; L254-I257 WeakPolarHBondContact O-CG1 3.3Å; L254-I257 PolarHBondContact O-N 3.13Å; H255-I257 PolarHBondContact O-N 2.78Å; I257-I259 VanDerWaalsContact C-N 3.27Å; I257-I259 PolarHBondContact O-N 3.39Å; I257-L260 WeakPolarHBondContact O-CB 3.06Å; I257-L260 PolarHBondContact O-N 3.06Å; I257-K267 HydrophobicContact CG2-CB 4.11Å; I257-K267 HydrophobicContact CG2-CG 4.27Å; I257-K267 WeakPolarHBondContact O-CE 3.28Å; I257-L270 HydrophobicContact CD1-CB 4.11Å; I257-L270 HydrophobicContact CG2-CB 3.96Å; I257-L270 HydrophobicContact CG2-CD1 4.06Å; I257-Q271 HydrophobicContact CB-CG 4.26Å; I257-Q271 HydrophobicContact CD1-CG 3.91Å; I257-Q271 HydrophobicContact CG2-CG 4.01Å
258	E	90.4	Very high	89.9	Confident	88 Å²	88	80.1 Å²	80.1	41%	0.411	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-65	-27.3	177.8	-70.3	-58.1	154.1	0	0	113.8	D256 K267 Q271	D256-E258 PolarHBondContact O-N 2.99Å; E258-K267 WeakPolarHBondContact O-CE 3.09Å; E258-K267 PolarHBondContact O-NZ 3.09Å; E258-Q271 PolarHBondContact OE1-NE2 2.71Å
259	I	92.4	Very high	90	Very high	133 Å²	133	79.2 Å²	79.2	68%	0.682	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-89.5	-7.2	179.2	62.9	162.3	0	0	0	113	D256 I257	D256-I259 HydrophobicContact CB-CD1 3.95Å; D256-I259 HydrophobicContact CB-CG1 3.83Å; D256-I259 WeakPolarHBondContact O-CG1 3.35Å; D256-I259 PolarHBondContact O-N 2.72Å; I257-I259 VanDerWaalsContact C-N 3.27Å; I257-I259 PolarHBondContact O-N 3.39Å
260	L	91.6	Very high	90.1	Very high	42 Å²	42	78.3 Å²	78.3	22%	0.22	40%	0.404	C	S	.	.	S	Bend	trans	-64	143.6	177.5	-66.4	178.3	0	0	0	110.9	I245 L249 I257 L262 K267 L270	I245-L260 HydrophobicContact CG2-CD1 4.35Å; L249-L260 HydrophobicContact CD1-CD1 4.25Å; I257-L260 WeakPolarHBondContact O-CB 3.06Å; I257-L260 PolarHBondContact O-N 3.06Å; L260-L262 HydrophobicContact CB-CB 4.46Å; L260-L262 HydrophobicContact CB-CD1 4Å; L260-L262 HydrophobicContact CB-CG 4.01Å; L260-L262 HydrophobicContact CD1-CD1 3.88Å; L260-L262 PolarHBondContact O-N 3.19Å; L260-K267 WeakPolarHBondContact O-CE 3.47Å; L260-K267 PolarHBondContact O-NZ 2.91Å; L260-L270 HydrophobicContact CD1-CD1 4.22Å
261	P	94.1	Very high	90.4	Very high	130 Å²	130	79.4 Å²	79.4	84%	0.844	40%	0.402	S	S	*	.	S	Bend	trans	-76.5	54.7	176.5	34	-36.7	0	0	0	111
262	L	93.7	Very high	90.6	Very high	56 Å²	56	74 Å²	74	29%	0.293	38%	0.382	S	S	.	.	S	Bend	trans	-119.3	148.6	-178.1	-63.2	176.8	0	0	0	110.7	L260 L266 K267 L270	L260-L262 HydrophobicContact CB-CB 4.46Å; L260-L262 HydrophobicContact CB-CD1 4Å; L260-L262 HydrophobicContact CB-CG 4.01Å; L260-L262 HydrophobicContact CD1-CD1 3.88Å; L260-L262 PolarHBondContact O-N 3.19Å; L262-L266 HydrophobicContact CB-CB 4.36Å; L262-L266 HydrophobicContact CD2-CD1 4.49Å; L262-K267 HydrophobicContact CB-CG 4.24Å; L262-K267 WeakPolarHBondContact O-CE 3.28Å; L262-L270 HydrophobicContact CD1-CD1 3.66Å
263	P	95.4	Very high	90.4	Very high	80 Å²	80	75.2 Å²	75.2	52%	0.519	38%	0.383	S	S	.	.			trans	-55.2	149.1	169	-24.9	33.7	0	0	0	112.7	S265 L266 K267	P263-S265 VanDerWaalsContact C-N 3.26Å; P263-S265 PolarHBondContact O-N 3.09Å; P263-L266 PolarHBondContact O-N 2.99Å; P263-K267 PolarHBondContact O-N 3.37Å; P263-K267 VanDerWaalsContact O-N 3.08Å
264	L	92.1	Very high	90.5	Very high	111 Å²	111	72.5 Å²	72.5	58%	0.581	38%	0.377	S	S	*	.	H	α-helix	trans	-55.5	-39.5	-178.5	-177.8	62.7	0	0	0	112.7	L266 K267 N268	L264-L266 VanDerWaalsContact C-N 3.28Å; L264-L266 PolarHBondContact O-N 2.94Å; L264-K267 WeakPolarHBondContact O-CB 3.4Å; L264-K267 PolarHBondContact O-N 3.36Å; L264-K267 VanDerWaalsContact O-N 3.14Å; L264-N268 VanDerWaalsContact O-CG 3.28Å; L264-N268 PolarHBondContact O-N 2.77Å; L264-N268 PolarHBondContact O-OD1 3.13Å
265	S	92.3	Very high	90.7	Very high	84 Å²	84	74.1 Å²	74.1	59%	0.587	39%	0.386	S	S	*	.	H	α-helix	trans	-59.3	-37.9	176.6	52.7	0	0	0	0	112.9	P263 Y269	P263-S265 VanDerWaalsContact C-N 3.26Å; P263-S265 PolarHBondContact O-N 3.09Å; S265-Y269 VanDerWaalsContact O-CB 3.31Å; S265-Y269 WeakPolarHBondContact O-CB 3.42Å; S265-Y269 PolarHBondContact O-N 3.23Å
266	L	92.1	Very high	90.9	Very high	74 Å²	74	70.5 Å²	70.5	39%	0.387	37%	0.371	S	S	.	.	H	α-helix	trans	-74.2	-37.3	175.5	-65.2	-171.9	0	0	0	111.5	L262 P263 L264 Y269 L270	L262-L266 HydrophobicContact CB-CB 4.36Å; L262-L266 HydrophobicContact CD2-CD1 4.49Å; P263-L266 PolarHBondContact O-N 2.99Å; L264-L266 VanDerWaalsContact C-N 3.28Å; L264-L266 PolarHBondContact O-N 2.94Å; L266-Y269 PolarHBondContact O-N 3.05Å; L266-L270 WeakPolarHBondContact O-CB 3.49Å; L266-L270 WeakPolarHBondContact O-CG 3.37Å; L266-L270 PolarHBondContact O-N 2.67Å
267	K	93	Very high	90.9	Very high	32 Å²	32	72.1 Å²	72.1	14%	0.139	38%	0.379	C	S	.	.	H	α-helix	trans	-60.2	-47.8	174.5	-68.4	178.1	173	176.4	0	111.5	I257 E258 L260 L262 P263 L264 Y269 L270 Q271	I257-K267 HydrophobicContact CG2-CB 4.11Å; I257-K267 HydrophobicContact CG2-CG 4.27Å; I257-K267 WeakPolarHBondContact O-CE 3.28Å; E258-K267 WeakPolarHBondContact O-CE 3.09Å; E258-K267 PolarHBondContact O-NZ 3.09Å; L260-K267 WeakPolarHBondContact O-CE 3.47Å; L260-K267 PolarHBondContact O-NZ 2.91Å; L262-K267 HydrophobicContact CB-CG 4.24Å; L262-K267 WeakPolarHBondContact O-CE 3.28Å; P263-K267 PolarHBondContact O-N 3.37Å; P263-K267 VanDerWaalsContact O-N 3.08Å; L264-K267 WeakPolarHBondContact O-CB 3.4Å; L264-K267 PolarHBondContact O-N 3.36Å; L264-K267 VanDerWaalsContact O-N 3.14Å; K267-Y269 PolarHBondContact O-N 3.48Å; K267-L270 WeakPolarHBondContact O-CB 3.22Å; K267-L270 PolarHBondContact O-N 3.16Å; K267-Q271 WeakPolarHBondContact O-CG 3.4Å; K267-Q271 PolarHBondContact O-N 3.38Å
268	N	90.9	Very high	90.8	Very high	46 Å²	46	76.6 Å²	76.6	25%	0.246	40%	0.403	C	S	.	.	H	α-helix	trans	-60.8	-46.7	176.5	-66.9	4.4	0	0	0	110.7	L264 L270 Q271 Y272 Q273	L264-N268 VanDerWaalsContact O-CG 3.28Å; L264-N268 PolarHBondContact O-N 2.77Å; L264-N268 PolarHBondContact O-OD1 3.13Å; N268-L270 VanDerWaalsContact C-N 3.32Å; N268-L270 PolarHBondContact O-N 2.69Å; N268-Q271 CarbonylContact O-C 3.51Å; N268-Q271 WeakPolarHBondContact O-CA 3.12Å; N268-Q271 PolarHBondContact O-N 3.24Å; N268-Y272 PolarHBondContact O-N 2.87Å; N268-Q273 CarbonylContact C-O 3.58Å; N268-Q273 HydrophobicContact CB-CB 4.09Å; N268-Q273 PolarHBondContact O-N 3.46Å
269	Y	90.5	Very high	90.8	Very high	55 Å²	55	75.8 Å²	75.8	22%	0.216	40%	0.403	C	S	.	.	H	α-helix	trans	-58.7	-41	176.3	177.4	-106.3	0	0	0	112.9	M238 D239 R242 S265 L266 K267 Q271 Y272	M238-Y269 HydrophobicContact CB-CE1 4.13Å; M238-Y269 WeakPolarHBondContact CB-OH 3.21Å; M238-Y269 HydrophobicContact CE-CE1 4.31Å; M238-Y269 HydrophobicContact CE-CE2 4.34Å; M238-Y269 PolarHBondContact O-OH 3.46Å; D239-Y269 WeakPolarHBondContact CA-OH 3.49Å; D239-Y269 PolarHBondContact N-OH 3.34Å; D239-Y269 VanDerWaalsContact N-OH 3.12Å; D239-Y269 PolarHBondContact OD1-OH 3.35Å; R242-Y269 HydrophobicContact CB-CD1 4.3Å; R242-Y269 HydrophobicContact CB-CE1 3.66Å; R242-Y269 WeakPolarHBondContact CD-O 3.38Å; R242-Y269 HydrophobicContact CG-CE1 4.36Å; R242-Y269 VanDerWaalsContact NH1-CE2 3.27Å; S265-Y269 VanDerWaalsContact O-CB 3.31Å; S265-Y269 WeakPolarHBondContact O-CB 3.42Å; S265-Y269 PolarHBondContact O-N 3.23Å; L266-Y269 PolarHBondContact O-N 3.05Å; K267-Y269 PolarHBondContact O-N 3.48Å; Y269-Q271 PolarHBondContact O-N 3.14Å; Y269-Y272 PolarHBondContact O-N 3.1Å
270	L	90.3	Very high	90.7	Very high	5 Å²	5	71.7 Å²	71.7	3%	0.026	38%	0.383	C	S	.	.	H	α-helix	trans	-65.7	-26.5	174.7	-70.2	176.8	0	0	0	112.8	R242 I245 R246 I257 L260 L262 L266 K267 N268	R242-L270 HydrophobicContact CB-CD2 3.9Å; R242-L270 HydrophobicContact CG-CD2 3.82Å; I245-L270 HydrophobicContact CB-CD2 4.07Å; I245-L270 HydrophobicContact CD1-CD1 4.49Å; I245-L270 HydrophobicContact CD1-CD2 4.02Å; I245-L270 HydrophobicContact CG2-CD1 3.88Å; I245-L270 HydrophobicContact CG2-CD2 4.06Å; R246-L270 WeakPolarHBondContact CD-O 3.42Å; R246-L270 PolarHBondContact NH1-O 3.27Å; I257-L270 HydrophobicContact CD1-CB 4.11Å; I257-L270 HydrophobicContact CG2-CB 3.96Å; I257-L270 HydrophobicContact CG2-CD1 4.06Å; L260-L270 HydrophobicContact CD1-CD1 4.22Å; L262-L270 HydrophobicContact CD1-CD1 3.66Å; L266-L270 WeakPolarHBondContact O-CB 3.49Å; L266-L270 WeakPolarHBondContact O-CG 3.37Å; L266-L270 PolarHBondContact O-N 2.67Å; K267-L270 WeakPolarHBondContact O-CB 3.22Å; K267-L270 PolarHBondContact O-N 3.16Å; N268-L270 VanDerWaalsContact C-N 3.32Å; N268-L270 PolarHBondContact O-N 2.69Å
271	Q	88.6	Confident	90.7	Very high	51 Å²	51	74 Å²	74	24%	0.238	40%	0.395	C	S	.	.	H	α-helix	trans	-94.2	-2.8	178.8	-69.9	179.7	55.4	0	0	114.2	I257 E258 K267 N268 Y269 Q273	I257-Q271 HydrophobicContact CB-CG 4.26Å; I257-Q271 HydrophobicContact CD1-CG 3.91Å; I257-Q271 HydrophobicContact CG2-CG 4.01Å; E258-Q271 PolarHBondContact OE1-NE2 2.71Å; K267-Q271 WeakPolarHBondContact O-CG 3.4Å; K267-Q271 PolarHBondContact O-N 3.38Å; N268-Q271 CarbonylContact O-C 3.51Å; N268-Q271 WeakPolarHBondContact O-CA 3.12Å; N268-Q271 PolarHBondContact O-N 3.24Å; Y269-Q271 PolarHBondContact O-N 3.14Å; Q271-Q273 VanDerWaalsContact C-N 3.3Å; Q271-Q273 HydrophobicContact CB-CG 4.02Å; Q271-Q273 VanDerWaalsContact OE1-NE2 3.08Å
272	Y	85.2	Confident	90.4	Very high	70 Å²	70	69.3 Å²	69.3	28%	0.275	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	36.3	-170.7	-58.1	-87.8	0	0	0	113.7	P44 R242 N268 Y269	P44-Y272 HydrophobicContact CG-CD1 3.42Å; P44-Y272 VanDerWaalsContact CG-CD1 3.42Å; P44-Y272 HydrophobicContact CG-CD2 3.9Å; P44-Y272 HydrophobicContact CG-CE1 3.95Å; P44-Y272 HydrophobicContact CG-CE2 4.39Å; P44-Y272 HydrophobicContact CG-CG 3.38Å; R242-Y272 PolarHBondContact NE-OH 2.84Å; N268-Y272 PolarHBondContact O-N 2.87Å; Y269-Y272 PolarHBondContact O-N 3.1Å
273	Q	80.5	Confident	90.1	Very high	168 Å²	168	70.5 Å²	70.5	79%	0.785	36%	0.364	S	S	*	.			trans	-103.2	0	174.2	-65.7	178.8	4.8	0	0	111.9	N268 Q271	N268-Q273 CarbonylContact C-O 3.58Å; N268-Q273 HydrophobicContact CB-CB 4.09Å; N268-Q273 PolarHBondContact O-N 3.46Å; Q271-Q273 VanDerWaalsContact C-N 3.3Å; Q271-Q273 HydrophobicContact CB-CG 4.02Å; Q271-Q273 VanDerWaalsContact OE1-NE2 3.08Å

Retrieved 273 of 273 residues in 53.9 ms (Link to these results)

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