A0A087XP99_POEFO Loading...

trypsin

AlphaFold DB , UniProt , Accession A0A087XP99, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 245 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	44.4	Very low	46.9	Very low	224 Å²	224	159.1 Å²	159.1	100%	1.103	84%	0.84	S	S	*	*				0	89.6	0	-156.3	166.5	85.3	0	0	109
2	K	38.6	Very low	47.5	Very low	193 Å²	193	152.8 Å²	152.8	84%	0.839	83%	0.828	S	S	*	*			trans	-151.6	104.1	167.2	-74.4	-167.2	177.8	178.2	0	107.4
3	Y	42.8	Very low	48	Very low	218 Å²	218	148.7 Å²	148.7	86%	0.855	83%	0.827	S	S	*	*			trans	-92	121.6	174.3	-70.4	-87.1	0	0	0	108
4	F	45	Very low	48	Very low	194 Å²	194	154.4 Å²	154.4	85%	0.851	83%	0.832	S	S	*	*			trans	-96.1	111.2	167.3	-89.9	-86.3	0	0	0	108
5	V	49.6	Very low	47.9	Very low	120 Å²	120	150.3 Å²	150.3	73%	0.727	83%	0.828	S	S	*	*			trans	-89.6	112.2	171.8	177.4	0	0	0	0	107.2	L7	V5-L7 HydrophobicContact CG1-CD1 4.49Å
6	L	46.2	Very low	47.8	Very low	167 Å²	167	145.9 Å²	145.9	87%	0.874	82%	0.818	S	S	*	*			trans	-85.3	107.2	172.2	-135.1	92.6	0	0	0	108	A8	L6-A8 PolarHBondContact O-N 2.65Å
7	L	46.8	Very low	47.4	Very low	151 Å²	151	144.2 Å²	144.2	79%	0.791	81%	0.814	S	S	*	*			trans	-76.3	111.3	169.2	-103.1	110	0	0	0	109	V5 L9	V5-L7 HydrophobicContact CG1-CD1 4.49Å; L7-L9 PolarHBondContact O-N 3.38Å
8	A	50.6	Low	47	Very low	87 Å²	87	145.8 Å²	145.8	72%	0.719	82%	0.819	S	S	*	*			trans	-81.9	109.3	168.6	0	0	0	0	0	109.3	L6 V10	L6-A8 PolarHBondContact O-N 2.65Å; A8-V10 PolarHBondContact O-N 2.81Å
9	L	46.7	Very low	46.6	Very low	166 Å²	166	147.1 Å²	147.1	87%	0.869	82%	0.818	S	S	*	*			trans	-77.2	106.5	169	-81.6	160.2	0	0	0	108.7	L7 A11	L7-L9 PolarHBondContact O-N 3.38Å; L9-A11 PolarHBondContact O-N 3.34Å
10	V	53.4	Low	46.3	Very low	133 Å²	133	145.4 Å²	145.4	81%	0.806	81%	0.807	S	S	*	*			trans	-81.1	99.1	169.3	-177.5	0	0	0	0	107.6	A8 A12	A8-V10 PolarHBondContact O-N 2.81Å; V10-A12 PolarHBondContact O-N 2.69Å
11	A	52.2	Low	45.9	Very low	97 Å²	97	142 Å²	142	80%	0.802	79%	0.788	S	S	*	*			trans	-77.8	100.5	167.1	0	0	0	0	0	108.3	L9 A13	L9-A11 PolarHBondContact O-N 3.34Å; A11-A13 PolarHBondContact O-N 2.86Å
12	A	54.5	Low	45.7	Very low	84 Å²	84	133.4 Å²	133.4	69%	0.694	74%	0.744	S	S	*	*			trans	-72.9	103.2	166.9	0	0	0	0	0	108.1	V10 Y14	V10-A12 PolarHBondContact O-N 2.69Å; A12-Y14 PolarHBondContact O-N 3.37Å; A12-Y14 VanDerWaalsContact O-N 3.11Å
13	A	53.3	Low	46.6	Very low	99 Å²	99	124.2 Å²	124.2	82%	0.818	70%	0.704	S	S	*	*			trans	-68.7	105.1	169.4	0	0	0	0	0	108.3	A11 A15	A11-A13 PolarHBondContact O-N 2.86Å; A13-A15 PolarHBondContact O-N 2.8Å; A13-A15 VanDerWaalsContact O-N 3.1Å
14	Y	47.8	Very low	48	Very low	228 Å²	228	114.2 Å²	114.2	89%	0.894	67%	0.666	S	S	*	*			trans	-70.1	99.9	166.1	-115	70.9	0	0	0	107.5	A12 A16	A12-Y14 PolarHBondContact O-N 3.37Å; A12-Y14 VanDerWaalsContact O-N 3.11Å; Y14-A16 PolarHBondContact O-N 3.13Å
15	A	47.1	Very low	49.6	Very low	94 Å²	94	105.8 Å²	105.8	78%	0.777	63%	0.633	S	S	*	*			trans	-74.5	102.5	164.3	0	0	0	0	0	107.2	A13	A13-A15 PolarHBondContact O-N 2.8Å; A13-A15 VanDerWaalsContact O-N 3.1Å
16	A	45.8	Very low	51.5	Low	80 Å²	80	100.1 Å²	100.1	66%	0.661	60%	0.599	S	S	*	*			trans	-62.1	140	163.6	0	0	0	0	0	108.3	Y14 L18	Y14-A16 PolarHBondContact O-N 3.13Å; A16-L18 PolarHBondContact O-N 2.92Å
17	P	40.7	Very low	53.8	Low	116 Å²	116	96.4 Å²	96.4	75%	0.753	57%	0.574	S	S	*	*			trans	-64	128.8	174.6	15.3	-9.5	0	0	0	108.5	E19	P17-E19 PolarHBondContact O-N 3.48Å; P17-E19 VanDerWaalsContact O-N 3.16Å
18	L	40.9	Very low	56.1	Low	173 Å²	173	93.4 Å²	93.4	91%	0.906	56%	0.556	S	S	*	*			trans	-64.9	110.6	167.5	-70.1	166.2	0	0	0	106.6	A16 D20	A16-L18 PolarHBondContact O-N 2.92Å; L18-D20 PolarHBondContact O-N 3.08Å
19	E	39.6	Very low	58.4	Low	171 Å²	171	89.3 Å²	89.3	80%	0.799	52%	0.523	S	S	*	.			trans	-63.5	134.1	173	-64.2	-144.9	150.2	0	0	109.3	P17 D21	P17-E19 PolarHBondContact O-N 3.48Å; P17-E19 VanDerWaalsContact O-N 3.16Å; E19-D21 PolarHBondContact O-N 2.73Å; E19-D21 VanDerWaalsContact O-N 3.11Å
20	D	40.6	Very low	60.8	Low	113 Å²	113	91 Å²	91	60%	0.604	52%	0.517	S	S	*	.			trans	-84.3	88.8	-166.3	-158.3	26	0	0	0	109.6	L18 K22	L18-D20 PolarHBondContact O-N 3.08Å; D20-K22 VanDerWaalsContact CG-NZ 3.26Å; D20-K22 IonicContact OD1-NZ 2.94Å; D20-K22 PolarHBondContact OD1-NZ 3.01Å; D20-K22 IonicContact OD2-NZ 3.11Å; D20-K22 PolarHBondContact OD2-NZ 2.9Å
21	D	37.2	Very low	62.8	Low	75 Å²	75	89.2 Å²	89.2	40%	0.401	50%	0.499	S	S	.	.			trans	-75.5	117.1	-174.6	-84.6	-4.8	0	0	0	113.3	E19 G26	E19-D21 PolarHBondContact O-N 2.73Å; E19-D21 VanDerWaalsContact O-N 3.11Å; D21-G26 CarbonylContact C-O 3.5Å; D21-G26 WeakPolarHBondContact CA-O 3.34Å; D21-G26 WeakPolarHBondContact CB-O 3.33Å; D21-G26 VanDerWaalsContact OD1-O 3.06Å
22	K	41	Very low	64.8	Low	42 Å²	42	86.2 Å²	86.2	18%	0.183	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.8	155.5	-179.4	-67.5	-176.5	-175	139.4	0	112.9	D20 G26 Y27 T146 R158	D20-K22 VanDerWaalsContact CG-NZ 3.26Å; D20-K22 IonicContact OD1-NZ 2.94Å; D20-K22 PolarHBondContact OD1-NZ 3.01Å; D20-K22 IonicContact OD2-NZ 3.11Å; D20-K22 PolarHBondContact OD2-NZ 2.9Å; K22-G26 VanDerWaalsContact N-C 3.35Å; K22-G26 PolarHBondContact N-O 2.95Å; K22-G26 CarbonylContact O-C 3.53Å; K22-G26 VanDerWaalsContact O-C 3.27Å; K22-Y27 CarbonylContact O-C 3.51Å; K22-Y27 PolarHBondContact O-N 2.9Å; K22-T146 HydrophobicContact CB-CG2 3.65Å; K22-T146 HydrophobicContact CG-CG2 4.25Å; K22-R158 HydrophobicContact CB-CG 4.24Å; K22-R158 WeakPolarHBondContact O-CB 3.4Å; K22-R158 VanDerWaalsContact O-CD 3.25Å; K22-R158 WeakPolarHBondContact O-CD 3.2Å; K22-R158 WeakPolarHBondContact O-CG 3.31Å
23	I	57.5	Low	66.8	Low	0 Å²	0	84.5 Å²	84.5	0%	0	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn		61.5	140.8	-107.2	-71.6	-130.4	0	0	0	107.2	G25 G26 R158 V160 D193	I23-G25 PolarHBondContact O-N 3.37Å; I23-G26 PolarHBondContact O-N 3.11Å; I23-R158 HydrophobicContact CB-CB 4Å; I23-R158 HydrophobicContact CD1-CB 4.45Å; I23-R158 HydrophobicContact CG1-CB 3.28Å; I23-R158 HydrophobicContact CG1-CG 4.46Å; I23-V160 HydrophobicContact CB-CB 4.48Å; I23-V160 HydrophobicContact CG2-CB 3.83Å; I23-V160 HydrophobicContact CG2-CG1 3.61Å; I23-D193 WeakPolarHBondContact CG2-O 3.36Å
24	V	71.4	Confident	69	Low	8 Å²	8	80 Å²	80	5%	0.048	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-56.5	112.7	-175.2	-168.3	0	0	0	0	108	G26 G191 K192 D193 C195 C219 A220	V24-G26 VanDerWaalsContact C-N 3.29Å; V24-G26 PolarHBondContact O-N 3.15Å; V24-G191 CarbonylContact C-O 3.53Å; V24-K192 WeakPolarHBondContact O-CA 3.38Å; V24-D193 PolarHBondContact N-O 2.81Å; V24-D193 PolarHBondContact O-N 2.82Å; V24-D193 VanDerWaalsContact O-N 3.1Å; V24-C195 HydrophobicContact CG2-CB 4.18Å; V24-C219 HydrophobicContact CG2-CB 4Å; V24-A220 HydrophobicContact CB-CB 3.79Å; V24-A220 HydrophobicContact CG1-CB 3.35Å; V24-A220 HydrophobicContact CG2-CB 4.48Å
25	G	79.6	Confident	71.4	Confident	17 Å²	17	70.4 Å²	70.4	18%	0.175	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	22.6	-170.9	0	0	0	0	0	117.6	I23 G191 K192	I23-G25 PolarHBondContact O-N 3.37Å; G25-G191 WeakPolarHBondContact CA-O 3.28Å; G25-G191 PolarHBondContact N-O 2.76Å; G25-K192 WeakPolarHBondContact O-CD 3.25Å; G25-K192 WeakPolarHBondContact O-CE 3.44Å; G25-K192 WeakPolarHBondContact O-CG 3.46Å; G25-K192 PolarHBondContact O-NZ 2.92Å
26	G	88.3	Confident	73.9	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.01	35%	0.348	C	S	.	.			trans	-91.7	-155.1	174.3	0	0	0	0	0	112.7	D21 K22 I23 V24 C159	D21-G26 CarbonylContact C-O 3.5Å; D21-G26 WeakPolarHBondContact CA-O 3.34Å; D21-G26 WeakPolarHBondContact CB-O 3.33Å; D21-G26 VanDerWaalsContact OD1-O 3.06Å; K22-G26 VanDerWaalsContact N-C 3.35Å; K22-G26 PolarHBondContact N-O 2.95Å; K22-G26 CarbonylContact O-C 3.53Å; K22-G26 VanDerWaalsContact O-C 3.27Å; I23-G26 PolarHBondContact O-N 3.11Å; V24-G26 VanDerWaalsContact C-N 3.29Å; V24-G26 PolarHBondContact O-N 3.15Å; G26-C159 CarbonylContact C-O 3.47Å; G26-C159 WeakPolarHBondContact CA-O 3.41Å
27	Y	94.1	Very high	76.4	Confident	90 Å²	90	63.7 Å²	63.7	35%	0.353	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	162.5	177.2	53.2	-89.1	0	0	0	110.6	K22 C29 R158 C159 D161	K22-Y27 CarbonylContact O-C 3.51Å; K22-Y27 PolarHBondContact O-N 2.9Å; Y27-C29 PolarHBondContact O-N 2.95Å; Y27-R158 CarbonylContact O-C 3.54Å; Y27-R158 WeakPolarHBondContact O-CA 3.44Å; Y27-C159 HydrophobicContact CD2-CB 3.94Å; Y27-C159 HydrophobicContact CE1-CB 4.2Å; Y27-C159 HydrophobicContact CE2-CB 3.46Å; Y27-C159 VanDerWaalsContact CE2-CB 3.46Å; Y27-C159 HydrophobicContact CG-CB 4.48Å; Y27-C159 PolarHBondContact N-O 3.43Å; Y27-C159 PolarHBondContact O-N 3.46Å; Y27-D161 WeakPolarHBondContact CE1-OD2 3.27Å; Y27-D161 PolarHBondContact OH-OD2 3.16Å
28	E	96.9	Very high	79.1	Confident	87 Å²	87	58.2 Å²	58.2	41%	0.407	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	121.8	169.1	-173.3	162.7	146.9	0	0	109.8	H75 T156 R158	E28-H75 IonicContact OE1-CE1 2.86Å; E28-H75 PolarHBondContact OE1-CE1 3.11Å; E28-H75 IonicContact OE1-NE2 3.57Å; E28-H75 PolarHBondContact OE1-NE2 2.76Å; E28-T156 VanDerWaalsContact CD-OG1 3.29Å; E28-T156 PolarHBondContact OE2-OG1 3.47Å; E28-R158 IonicContact OE2-CZ 3.33Å; E28-R158 IonicContact OE2-NH1 2.89Å; E28-R158 IonicContact OE2-NH2 3.03Å; E28-R158 PolarHBondContact OE2-NH2 2.8Å
29	C	97.4	Very high	81.9	Confident	2 Å²	2	50 Å²	50	1%	0.014	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-58.6	145	173.7	-57.3	0	0	0	0	109.1	Y27 K31 V34 H75 L157 R158 C159	Y27-C29 PolarHBondContact O-N 2.95Å; C29-K31 PolarHBondContact O-N 3.06Å; C29-V34 HydrophobicContact CB-CG2 4.36Å; C29-H75 PolarHBondContact O-CE1 2.99Å; C29-L157 HydrophobicContact CB-CB 4.44Å; C29-L157 HydrophobicContact CB-CD2 4.06Å; C29-L157 HydrophobicContact CB-CG 4.18Å; C29-L157 PolarHBondContact N-O 3.36Å; C29-L157 VanDerWaalsContact SG-CG 3.56Å; C29-R158 PolarHBondContact SG-O 2.81Å; C29-C159 HydrophobicContact CB-CB 4.14Å; C29-C159 WeakPolarHBondContact CB-SG 3.25Å; C29-C159 VanDerWaalsContact SG-CA 3.55Å; C29-C159 WeakPolarHBondContact SG-CB 3.42Å; C29-C159 PolarHBondContact SG-N 3.45Å; C29-C159 CovalentContact SG-SG 2.02Å; C29-C159 PolarHBondContact SG-SG 3.14Å
30	R	97.4	Very high	84.7	Confident	201 Å²	201	41.9 Å²	41.9	76%	0.758	20%	0.202	S	C	*	.	P	Polyproline II helix	trans	-58.1	130.3	169.3	-173.7	-175.8	87.2	-178	4.9	108.3	N32 S33	R30-N32 PolarHBondContact O-N 2.87Å; R30-S33 WeakPolarHBondContact O-CB 3.45Å; R30-S33 PolarHBondContact O-N 3.48Å; R30-S33 PolarHBondContact O-OG 3.42Å
31	K	96.4	Very high	87.5	Confident	96 Å²	96	37 Å²	37	42%	0.417	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	126.4	-179.2	-178.5	166.4	179.4	173.3	0	111.6	C29 S33 H75 E81	C29-K31 PolarHBondContact O-N 3.06Å; K31-S33 PolarHBondContact O-N 2.87Å; K31-H75 HydrophobicContact CG-CB 3.91Å; K31-E81 WeakPolarHBondContact CE-OE1 3.18Å; K31-E81 WeakPolarHBondContact CE-OE2 3.35Å; K31-E81 IonicContact NZ-OE1 3.84Å; K31-E81 PolarHBondContact NZ-OE1 2.02Å; K31-E81 IonicContact NZ-OE2 2.65Å
32	N	92.6	Very high	90.3	Very high	33 Å²	33	35.7 Å²	35.7	18%	0.176	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	19	-179	-52.6	-22.1	0	0	0	115.7	R30 V34 Y121	R30-N32 PolarHBondContact O-N 2.87Å; N32-V34 VanDerWaalsContact C-N 3.29Å; N32-V34 PolarHBondContact O-N 2.84Å; N32-Y121 HydrophobicContact CB-CD1 3.77Å; N32-Y121 WeakPolarHBondContact ND2-CD1 3.48Å
33	S	97.6	Very high	93	Very high	49 Å²	49	37.2 Å²	37.2	34%	0.343	20%	0.2	S	C	.	.	S	Bend	trans	-78.3	-11.6	178.2	70.2	0	0	0	0	114.5	R30 K31 P35	R30-S33 WeakPolarHBondContact O-CB 3.45Å; R30-S33 PolarHBondContact O-N 3.48Å; R30-S33 PolarHBondContact O-OG 3.42Å; K31-S33 PolarHBondContact O-N 2.87Å; S33-P35 VanDerWaalsContact O-CD 3.23Å; S33-P35 WeakPolarHBondContact O-CD 3.27Å
34	V	98.6	Very high	94.8	Very high	4 Å²	4	44 Å²	44	2%	0.024	23%	0.227	C	C	.	.			trans	-118	64.2	-179.1	-165.9	0	0	0	0	109.5	C29 N32 Y36 I37 L139 L157	C29-V34 HydrophobicContact CB-CG2 4.36Å; N32-V34 VanDerWaalsContact C-N 3.29Å; N32-V34 PolarHBondContact O-N 2.84Å; V34-Y36 HydrophobicContact CG1-CD2 4.01Å; V34-Y36 HydrophobicContact CG1-CE1 4.11Å; V34-Y36 HydrophobicContact CG1-CE2 3.38Å; V34-Y36 VanDerWaalsContact CG1-CZ 3.45Å; V34-Y36 PolarHBondContact O-N 2.74Å; V34-I37 HydrophobicContact CB-CB 4.49Å; V34-I37 HydrophobicContact CB-CG2 4.16Å; V34-I37 HydrophobicContact CG1-CB 3.9Å; V34-I37 HydrophobicContact CG1-CG2 4.11Å; V34-I37 WeakPolarHBondContact O-CG2 3.39Å; V34-I37 PolarHBondContact O-N 3.06Å; V34-I37 VanDerWaalsContact O-N 3.1Å; V34-L139 HydrophobicContact CG2-CD2 4.3Å; V34-L157 HydrophobicContact CB-CD2 3.9Å; V34-L157 HydrophobicContact CG2-CD2 3.96Å
35	P	98.6	Very high	96.1	Very high	27 Å²	27	45.1 Å²	45.1	18%	0.175	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-9.9	-167.3	28.5	-39	0	0	0	115.2	S33 Y121 V122 S123	S33-P35 VanDerWaalsContact O-CD 3.23Å; S33-P35 WeakPolarHBondContact O-CD 3.27Å; P35-Y121 WeakPolarHBondContact CA-O 3.26Å; P35-Y121 WeakPolarHBondContact CB-O 3.36Å; P35-V122 WeakPolarHBondContact O-CA 3.23Å; P35-S123 WeakPolarHBondContact CB-OG 3.34Å; P35-S123 WeakPolarHBondContact CG-OG 3.4Å; P35-S123 PolarHBondContact O-N 2.81Å
36	Y	98.9	Very high	96.9	Very high	27 Å²	27	45.7 Å²	45.7	11%	0.106	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-10.5	177.3	52.7	-102.9	0	0	0	114	V34 S50 L51 S123 V125 P202 V204	V34-Y36 HydrophobicContact CG1-CD2 4.01Å; V34-Y36 HydrophobicContact CG1-CE1 4.11Å; V34-Y36 HydrophobicContact CG1-CE2 3.38Å; V34-Y36 VanDerWaalsContact CG1-CZ 3.45Å; V34-Y36 PolarHBondContact O-N 2.74Å; Y36-S50 CarbonylContact O-C 3.27Å; Y36-S50 WeakPolarHBondContact O-CA 3.15Å; Y36-L51 PolarHBondContact O-N 2.79Å; Y36-S123 WeakPolarHBondContact CA-O 3.42Å; Y36-S123 WeakPolarHBondContact CB-O 3.15Å; Y36-V125 HydrophobicContact CD1-CB 3.96Å; Y36-V125 HydrophobicContact CD1-CG2 4.47Å; Y36-V125 HydrophobicContact CD2-CB 4.09Å; Y36-V125 HydrophobicContact CD2-CG1 4.26Å; Y36-V125 HydrophobicContact CG-CB 3.68Å; Y36-V125 HydrophobicContact CG-CG1 4.21Å; Y36-V125 HydrophobicContact CG-CG2 4.49Å; Y36-P202 HydrophobicContact CD2-CB 4.31Å; Y36-P202 HydrophobicContact CD2-CG 4.24Å; Y36-P202 HydrophobicContact CE2-CB 3.85Å; Y36-P202 HydrophobicContact CE2-CG 3.77Å; Y36-V204 HydrophobicContact CD2-CG2 4.44Å; Y36-V204 HydrophobicContact CE1-CG2 4.39Å; Y36-V204 HydrophobicContact CE2-CG2 3.55Å; Y36-V204 WeakPolarHBondContact OH-CG2 3.45Å
37	I	98.8	Very high	97.4	Very high	5 Å²	5	46 Å²	46	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	142.2	178.6	-164.2	160.4	0	0	0	110.3	V34 S141 W143 L157 P202	V34-I37 HydrophobicContact CB-CB 4.49Å; V34-I37 HydrophobicContact CB-CG2 4.16Å; V34-I37 HydrophobicContact CG1-CB 3.9Å; V34-I37 HydrophobicContact CG1-CG2 4.11Å; V34-I37 WeakPolarHBondContact O-CG2 3.39Å; V34-I37 PolarHBondContact O-N 3.06Å; V34-I37 VanDerWaalsContact O-N 3.1Å; I37-S141 WeakPolarHBondContact CD1-O 3.17Å; I37-S141 WeakPolarHBondContact CD1-OG 3.28Å; I37-W143 HydrophobicContact CD1-CH2 4.25Å; I37-W143 HydrophobicContact CD1-CZ3 3.92Å; I37-W143 HydrophobicContact CG1-CH2 4.02Å; I37-W143 HydrophobicContact CG1-CZ3 3.82Å; I37-W143 HydrophobicContact CG2-CH2 3.87Å; I37-L157 HydrophobicContact CD1-CD1 3.47Å; I37-L157 VanDerWaalsContact CD1-CD1 3.47Å; I37-L157 HydrophobicContact CD1-CD2 4.36Å; I37-L157 HydrophobicContact CG2-CD1 4.5Å; I37-L157 HydrophobicContact CG2-CD2 3.89Å; I37-P202 HydrophobicContact CD1-CG 4.14Å; I37-P202 HydrophobicContact CG1-CG 4.27Å
38	V	98.8	Very high	97.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145	172.2	-56.3	0	0	0	0	110.4	L40 G48 G49 L51 A57 V70 R71 L72	V38-L40 HydrophobicContact CG2-CD2 3.96Å; V38-G48 CarbonylContact O-C 3.1Å; V38-G48 WeakPolarHBondContact O-CA 3.23Å; V38-G49 VanDerWaalsContact CG2-C 3.45Å; V38-G49 VanDerWaalsContact CG2-CA 3.5Å; V38-G49 PolarHBondContact N-O 3.47Å; V38-G49 PolarHBondContact O-N 3.5Å; V38-L51 HydrophobicContact CG1-CB 4.25Å; V38-A57 HydrophobicContact CG2-CB 4.28Å; V38-V70 HydrophobicContact CB-CG1 3.75Å; V38-V70 HydrophobicContact CG1-CG1 3.99Å; V38-V70 HydrophobicContact CG2-CG1 3.86Å; V38-R71 WeakPolarHBondContact CA-O 2.79Å; V38-L72 HydrophobicContact CG1-CB 4.37Å; V38-L72 HydrophobicContact CG1-CD2 3.78Å; V38-L72 HydrophobicContact CG1-CG 3.73Å
39	S	98.8	Very high	97.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.9	169.5	171.1	0	0	0	0	108.7	H45 R71	S39-H45 PolarHBondContact OG-ND1 2.86Å; S39-R71 PolarHBondContact N-O 3.1Å; S39-R71 PolarHBondContact O-N 3.26Å
40	L	98.8	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	120.1	173.3	-53.6	-171.1	0	0	0	108.6	V38 F46 C47 G48 S59 I68 V70 M108 I110	V38-L40 HydrophobicContact CG2-CD2 3.96Å; L40-F46 VanDerWaalsContact C-CE1 3.42Å; L40-F46 HydrophobicContact CB-CD1 4.47Å; L40-F46 HydrophobicContact CB-CE1 3.8Å; L40-F46 HydrophobicContact CB-CE2 4.09Å; L40-F46 HydrophobicContact CB-CZ 3.57Å; L40-F46 HydrophobicContact CD1-CZ 4.42Å; L40-F46 WeakPolarHBondContact O-CD1 3.4Å; L40-F46 VanDerWaalsContact O-CE1 3.29Å; L40-F46 WeakPolarHBondContact O-CE1 3.38Å; L40-F46 PolarHBondContact O-N 2.94Å; L40-F46 VanDerWaalsContact O-N 3.08Å; L40-C47 HydrophobicContact CB-CB 4.32Å; L40-C47 WeakPolarHBondContact CB-O 3.41Å; L40-C47 HydrophobicContact CD1-CB 4.08Å; L40-C47 HydrophobicContact CG-CB 4.45Å; L40-C47 PolarHBondContact N-O 2.81Å; L40-G48 WeakPolarHBondContact CD1-O 3.49Å; L40-S59 WeakPolarHBondContact CD1-OG 3.08Å; L40-I68 HydrophobicContact CB-CG2 3.84Å; L40-I68 HydrophobicContact CD2-CG2 3.98Å; L40-I68 HydrophobicContact CG-CG2 4.35Å; L40-V70 HydrophobicContact CD2-CG1 4.36Å; L40-V70 HydrophobicContact CD2-CG2 4.2Å; L40-M108 HydrophobicContact CD1-CE 3.88Å; L40-I110 HydrophobicContact CD1-CD1 3.76Å; L40-I110 HydrophobicContact CD2-CD1 3.58Å; L40-I110 HydrophobicContact CG-CD1 4.35Å
41	N	98.6	Very high	97.9	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.064	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	137.7	-172.5	-167	-71.9	0	0	0	111.8	G43 Y44 H45 N69 R71	N41-G43 WeakPolarHBondContact OD1-CA 3.48Å; N41-G43 PolarHBondContact OD1-N 3.49Å; N41-Y44 WeakPolarHBondContact CA-O 3.23Å; N41-Y44 VanDerWaalsContact ND2-C 3.27Å; N41-Y44 PolarHBondContact OD1-N 3.19Å; N41-H45 PolarHBondContact ND2-N 2.87Å; N41-N69 HydrophobicContact CB-CB 4.33Å; N41-N69 WeakPolarHBondContact CB-O 3.36Å; N41-N69 PolarHBondContact N-O 3.28Å; N41-N69 PolarHBondContact O-N 3.35Å; N41-R71 HydrophobicContact CB-CG 4.13Å; N41-R71 VanDerWaalsContact ND2-CZ 3.32Å; N41-R71 PolarHBondContact ND2-NE 3.17Å; N41-R71 PolarHBondContact ND2-NH2 3.11Å
42	S	97.2	Very high	98	Very high	47 Å²	47	24.2 Å²	24.2	33%	0.329	14%	0.143	S	C	.	.	S	Bend	trans	-134.1	38.6	173.4	60.2	0	0	0	0	112.2	Y44 F46 K65	S42-Y44 PolarHBondContact N-O 3.18Å; S42-F46 WeakPolarHBondContact OG-CD1 3.47Å; S42-K65 WeakPolarHBondContact OG-CD 3.45Å; S42-K65 WeakPolarHBondContact OG-CE 2.86Å; S42-K65 PolarHBondContact OG-NZ 3.38Å
43	G	96.1	Very high	98.3	Very high	74 Å²	74	24 Å²	24	76%	0.763	14%	0.144	S	C	*	.	S	Bend	trans	103.8	-19.4	-165.7	0	0	0	0	0	112.5	N41	N41-G43 WeakPolarHBondContact OD1-CA 3.48Å; N41-G43 PolarHBondContact OD1-N 3.49Å
44	Y	95.9	Very high	98.3	Very high	142 Å²	142	23.8 Å²	23.8	56%	0.557	14%	0.142	S	C	*	.	S	Bend	trans	-151.6	158.3	172.3	59.4	-82.9	0	0	0	108.7	N41 S42 F46	N41-Y44 WeakPolarHBondContact CA-O 3.23Å; N41-Y44 VanDerWaalsContact ND2-C 3.27Å; N41-Y44 PolarHBondContact OD1-N 3.19Å; S42-Y44 PolarHBondContact N-O 3.18Å; Y44-F46 HydrophobicContact CD2-CB 4.13Å; Y44-F46 HydrophobicContact CE2-CB 3.66Å; Y44-F46 PolarHBondContact O-N 3.26Å
45	H	97.8	Very high	98.3	Very high	32 Å²	32	25 Å²	25	15%	0.148	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	127.2	170.5	169.8	77.5	0	0	0	109.6	S39 N41 C47 I77 W143 G197	S39-H45 PolarHBondContact OG-ND1 2.86Å; N41-H45 PolarHBondContact ND2-N 2.87Å; H45-C47 VanDerWaalsContact CE1-C 3.4Å; H45-C47 PolarHBondContact CE1-O 3.29Å; H45-C47 PolarHBondContact ND1-O 3.49Å; H45-I77 HydrophobicContact CB-CD1 3.63Å; H45-W143 AromaticContact CE1-CE3 3.77Å; H45-G197 PolarHBondContact NE2-O 2.82Å
46	F	97.6	Very high	98.3	Very high	29 Å²	29	24.3 Å²	24.3	13%	0.127	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	-20.6	-179.5	69.6	-91.7	0	0	0	114.4	L40 S42 Y44 C63 K65 I68	L40-F46 VanDerWaalsContact C-CE1 3.42Å; L40-F46 HydrophobicContact CB-CD1 4.47Å; L40-F46 HydrophobicContact CB-CE1 3.8Å; L40-F46 HydrophobicContact CB-CE2 4.09Å; L40-F46 HydrophobicContact CB-CZ 3.57Å; L40-F46 HydrophobicContact CD1-CZ 4.42Å; L40-F46 WeakPolarHBondContact O-CD1 3.4Å; L40-F46 VanDerWaalsContact O-CE1 3.29Å; L40-F46 WeakPolarHBondContact O-CE1 3.38Å; L40-F46 PolarHBondContact O-N 2.94Å; L40-F46 VanDerWaalsContact O-N 3.08Å; S42-F46 WeakPolarHBondContact OG-CD1 3.47Å; Y44-F46 HydrophobicContact CD2-CB 4.13Å; Y44-F46 HydrophobicContact CE2-CB 3.66Å; Y44-F46 PolarHBondContact O-N 3.26Å; F46-C63 HydrophobicContact CE2-CB 4.21Å; F46-C63 VanDerWaalsContact CE2-O 3.26Å; F46-C63 WeakPolarHBondContact CE2-O 3.44Å; F46-K65 HydrophobicContact CD1-CD 4.24Å; F46-K65 HydrophobicContact CD2-CD 4.38Å; F46-K65 HydrophobicContact CE1-CD 3.8Å; F46-K65 HydrophobicContact CE2-CD 3.99Å; F46-K65 HydrophobicContact CE2-CG 4.37Å; F46-K65 HydrophobicContact CZ-CD 3.67Å; F46-K65 HydrophobicContact CZ-CG 4.25Å; F46-I68 HydrophobicContact CE1-CG2 4.41Å; F46-I68 HydrophobicContact CZ-CD1 4.17Å; F46-I68 HydrophobicContact CZ-CG1 4.11Å; F46-I68 HydrophobicContact CZ-CG2 4.24Å
47	C	98.7	Very high	98.4	Very high	6 Å²	6	23 Å²	23	4%	0.041	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	161.2	176.4	-80	0	0	0	0	110.1	L40 H45 C63 S199	L40-C47 HydrophobicContact CB-CB 4.32Å; L40-C47 WeakPolarHBondContact CB-O 3.41Å; L40-C47 HydrophobicContact CD1-CB 4.08Å; L40-C47 HydrophobicContact CG-CB 4.45Å; L40-C47 PolarHBondContact N-O 2.81Å; H45-C47 VanDerWaalsContact CE1-C 3.4Å; H45-C47 PolarHBondContact CE1-O 3.29Å; H45-C47 PolarHBondContact ND1-O 3.49Å; C47-C63 HydrophobicContact CB-CB 3.66Å; C47-C63 WeakPolarHBondContact CB-SG 3.4Å; C47-C63 WeakPolarHBondContact SG-CB 3.39Å; C47-C63 CovalentContact SG-SG 2.03Å; C47-C63 PolarHBondContact SG-SG 3.31Å; C47-S199 CarbonylContact C-O 3.33Å; C47-S199 WeakPolarHBondContact CA-O 3.4Å; C47-S199 WeakPolarHBondContact CB-O 3.24Å
48	G	98.7	Very high	98.4	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	178.2	165.1	0	0	0	0	0	113.5	V38 L40 S59 S199 G200	V38-G48 CarbonylContact O-C 3.1Å; V38-G48 WeakPolarHBondContact O-CA 3.23Å; L40-G48 WeakPolarHBondContact CD1-O 3.49Å; G48-S59 PolarHBondContact O-OG 3.42Å; G48-S199 PolarHBondContact N-O 2.98Å; G48-G200 VanDerWaalsContact C-C 3.48Å; G48-G200 CarbonylContact C-O 3.59Å; G48-G200 CarbonylContact O-C 3.58Å; G48-G200 VanDerWaalsContact O-C 3.31Å; G48-G200 WeakPolarHBondContact O-CA 3.34Å
49	G	98.8	Very high	98.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	175.3	172.4	0	0	0	0	0	110.7	V38 V58 G200	V38-G49 VanDerWaalsContact CG2-C 3.45Å; V38-G49 VanDerWaalsContact CG2-CA 3.5Å; V38-G49 PolarHBondContact N-O 3.47Å; V38-G49 PolarHBondContact O-N 3.5Å; G49-V58 CarbonylContact C-O 3.52Å; G49-V58 VanDerWaalsContact CA-O 3.3Å; G49-V58 WeakPolarHBondContact CA-O 3.49Å; G49-G200 VanDerWaalsContact CA-O 3.27Å; G49-G200 WeakPolarHBondContact CA-O 3.2Å
50	S	98.9	Very high	98.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.6	175.4	-46.7	0	0	0	0	110.9	Y36 I52 A57 V58 P202	Y36-S50 CarbonylContact O-C 3.27Å; Y36-S50 WeakPolarHBondContact O-CA 3.15Å; S50-I52 PolarHBondContact O-N 2.92Å; S50-A57 CarbonylContact O-C 3.46Å; S50-A57 WeakPolarHBondContact O-CA 3.25Å; S50-A57 WeakPolarHBondContact O-CB 3.5Å; S50-V58 PolarHBondContact N-O 3.49Å; S50-V58 PolarHBondContact O-N 3.24Å; S50-P202 VanDerWaalsContact OG-CB 3.31Å; S50-P202 WeakPolarHBondContact OG-CB 3.45Å
51	L	98.9	Very high	98.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	120.6	172.1	-166.6	70.9	0	0	0	109.7	Y36 V38 S53 L72 L112 A116 L118 V122 T124 V125	Y36-L51 PolarHBondContact O-N 2.79Å; V38-L51 HydrophobicContact CG1-CB 4.25Å; L51-S53 WeakPolarHBondContact CD1-O 3.39Å; L51-S53 VanDerWaalsContact CG-O 3.25Å; L51-S53 WeakPolarHBondContact CG-O 3.41Å; L51-L72 HydrophobicContact CB-CD2 4.42Å; L51-L72 HydrophobicContact CD1-CD2 3.67Å; L51-L72 HydrophobicContact CD2-CD2 3.64Å; L51-L72 HydrophobicContact CG-CD2 4.1Å; L51-L112 HydrophobicContact CD1-CD1 4.06Å; L51-A116 HydrophobicContact CD2-CB 4.45Å; L51-L118 HydrophobicContact CD2-CD2 3.79Å; L51-V122 HydrophobicContact CD2-CG1 3.94Å; L51-T124 HydrophobicContact CD2-CG2 4.16Å; L51-T124 HydrophobicContact CG-CG2 4.23Å; L51-T124 CarbonylContact O-C 3.5Å; L51-T124 VanDerWaalsContact O-CA 3.26Å; L51-T124 WeakPolarHBondContact O-CA 3.1Å; L51-V125 PolarHBondContact O-N 2.98Å
52	I	98.9	Very high	98.4	Very high	19 Å²	19	25.2 Å²	25.2	10%	0.097	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-14.2	-177.8	58.2	166.6	0	0	0	113	S50 W56 V58 L109 V125 L127 L209 I238 M242	S50-I52 PolarHBondContact O-N 2.92Å; I52-W56 HydrophobicContact CD1-CB 4.46Å; I52-W56 HydrophobicContact CG1-CB 4.09Å; I52-W56 VanDerWaalsContact CG1-O 3.28Å; I52-W56 WeakPolarHBondContact CG1-O 3.25Å; I52-W56 PolarHBondContact N-O 3Å; I52-V58 HydrophobicContact CD1-CB 4.33Å; I52-V58 HydrophobicContact CG2-CB 4.44Å; I52-V58 HydrophobicContact CG2-CG1 3.73Å; I52-L109 HydrophobicContact CD1-CD2 3.74Å; I52-V125 HydrophobicContact CG2-CG1 4.21Å; I52-L127 HydrophobicContact CG2-CD2 4.18Å; I52-L209 HydrophobicContact CG2-CD2 4.22Å; I52-I238 HydrophobicContact CD1-CG2 3.74Å; I52-M242 HydrophobicContact CD1-SD 3.83Å
53	S	98.8	Very high	98.4	Very high	28 Å²	28	23.2 Å²	23.2	20%	0.196	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	172.6	165.7	75.1	0	0	0	0	109	L51 S55 W56	L51-S53 WeakPolarHBondContact CD1-O 3.39Å; L51-S53 VanDerWaalsContact CG-O 3.25Å; L51-S53 WeakPolarHBondContact CG-O 3.41Å; S53-S55 PolarHBondContact O-N 2.74Å; S53-S55 VanDerWaalsContact O-N 3.07Å; S53-S55 PolarHBondContact OG-N 3.48Å; S53-W56 PolarHBondContact N-O 2.87Å; S53-W56 VanDerWaalsContact N-O 3.14Å; S53-W56 PolarHBondContact O-N 3.4Å; S53-W56 VanDerWaalsContact OG-CB 3.31Å; S53-W56 WeakPolarHBondContact OG-CB 3.05Å; S53-W56 PolarHBondContact OG-N 2.9Å; S53-W56 VanDerWaalsContact OG-N 3.11Å
54	S	98.7	Very high	98.5	Very high	45 Å²	45	24.8 Å²	24.8	32%	0.315	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.5	175.5	55.3	0	0	0	0	113.6	P115 A116	S54-P115 CarbonylContact O-C 3.47Å; S54-P115 WeakPolarHBondContact O-CA 3.34Å; S54-A116 PolarHBondContact O-N 3.3Å
55	S	98.8	Very high	98.6	Very high	29 Å²	29	21.1 Å²	21.1	20%	0.203	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	2.4	-177.4	-55.2	0	0	0	0	114.3	S53 K111 L112	S53-S55 PolarHBondContact O-N 2.74Å; S53-S55 VanDerWaalsContact O-N 3.07Å; S53-S55 PolarHBondContact OG-N 3.48Å; S55-K111 WeakPolarHBondContact O-CA 3.34Å; S55-L112 PolarHBondContact O-N 2.84Å
56	W	98.9	Very high	98.4	Very high	13 Å²	13	24 Å²	24	5%	0.049	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	131	-173.5	-68.2	92.9	0	0	0	112.5	I52 S53 I93 L109 I110 K111 M242 N245	I52-W56 HydrophobicContact CD1-CB 4.46Å; I52-W56 HydrophobicContact CG1-CB 4.09Å; I52-W56 VanDerWaalsContact CG1-O 3.28Å; I52-W56 WeakPolarHBondContact CG1-O 3.25Å; I52-W56 PolarHBondContact N-O 3Å; S53-W56 PolarHBondContact N-O 2.87Å; S53-W56 VanDerWaalsContact N-O 3.14Å; S53-W56 PolarHBondContact O-N 3.4Å; S53-W56 VanDerWaalsContact OG-CB 3.31Å; S53-W56 WeakPolarHBondContact OG-CB 3.05Å; S53-W56 PolarHBondContact OG-N 2.9Å; S53-W56 VanDerWaalsContact OG-N 3.11Å; W56-I93 HydrophobicContact CH2-CD1 4.11Å; W56-I93 HydrophobicContact CZ3-CD1 4.29Å; W56-L109 HydrophobicContact CE3-CB 3.92Å; W56-L109 HydrophobicContact CE3-CD1 4.44Å; W56-L109 HydrophobicContact CZ3-CB 3.8Å; W56-L109 HydrophobicContact CZ3-CD1 4.37Å; W56-I110 WeakPolarHBondContact CA-O 3.4Å; W56-K111 HydrophobicContact CD2-CB 4.12Å; W56-K111 HydrophobicContact CD2-CG 4.22Å; W56-K111 HydrophobicContact CE3-CB 3.86Å; W56-K111 HydrophobicContact CE3-CG 4.46Å; W56-K111 HydrophobicContact CH2-CB 3.69Å; W56-K111 HydrophobicContact CH2-CD 4.03Å; W56-K111 HydrophobicContact CH2-CG 4.12Å; W56-K111 HydrophobicContact CZ2-CB 3.94Å; W56-K111 HydrophobicContact CZ2-CD 3.62Å; W56-K111 HydrophobicContact CZ2-CG 3.83Å; W56-K111 HydrophobicContact CZ3-CB 3.64Å; W56-K111 HydrophobicContact CZ3-CG 4.41Å; W56-M242 HydrophobicContact CB-CE 4.19Å; W56-M242 HydrophobicContact CB-CG 4.45Å; W56-M242 HydrophobicContact CB-SD 4.41Å; W56-M242 HydrophobicContact CD2-CG 3.77Å; W56-M242 HydrophobicContact CE3-CG 4.27Å; W56-M242 HydrophobicContact CG-CE 4.03Å; W56-M242 HydrophobicContact CG-CG 3.85Å; W56-M242 HydrophobicContact CG-SD 4.34Å; W56-M242 HydrophobicContact CZ2-CB 4.44Å; W56-M242 HydrophobicContact CZ2-CG 4.39Å; W56-N245 HydrophobicContact CH2-CB 3.69Å; W56-N245 HydrophobicContact CZ2-CB 3.78Å
57	A	98.9	Very high	98.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	154.7	166.7	0	0	0	0	0	110.9	V38 S50 L109 I110	V38-A57 HydrophobicContact CG2-CB 4.28Å; S50-A57 CarbonylContact O-C 3.46Å; S50-A57 WeakPolarHBondContact O-CA 3.25Å; S50-A57 WeakPolarHBondContact O-CB 3.5Å; A57-L109 WeakPolarHBondContact O-CA 3.46Å; A57-I110 HydrophobicContact CB-CB 4.43Å; A57-I110 PolarHBondContact N-O 3.26Å; A57-I110 PolarHBondContact O-N 3.1Å
58	V	98.9	Very high	98.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144.3	171.9	67.2	0	0	0	0	109.6	G49 S50 I52 I107 M108 L109 L209 I212	G49-V58 CarbonylContact C-O 3.52Å; G49-V58 VanDerWaalsContact CA-O 3.3Å; G49-V58 WeakPolarHBondContact CA-O 3.49Å; S50-V58 PolarHBondContact N-O 3.49Å; S50-V58 PolarHBondContact O-N 3.24Å; I52-V58 HydrophobicContact CD1-CB 4.33Å; I52-V58 HydrophobicContact CG2-CB 4.44Å; I52-V58 HydrophobicContact CG2-CG1 3.73Å; V58-I107 HydrophobicContact CG2-CD1 3.74Å; V58-I107 HydrophobicContact CG2-CG1 3.64Å; V58-M108 WeakPolarHBondContact CA-O 3.45Å; V58-M108 WeakPolarHBondContact CG2-O 3.22Å; V58-L109 HydrophobicContact CB-CD2 3.98Å; V58-L109 HydrophobicContact CG2-CD2 4.12Å; V58-L209 HydrophobicContact CG1-CD2 3.36Å; V58-I212 HydrophobicContact CG2-CD1 3.69Å
59	S	98.9	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	-174.1	178.6	-176.6	0	0	0	0	109.3	L40 G48 I107 M108 G200	L40-S59 WeakPolarHBondContact CD1-OG 3.08Å; G48-S59 PolarHBondContact O-OG 3.42Å; S59-I107 CarbonylContact O-C 3.53Å; S59-I107 WeakPolarHBondContact O-CA 3.29Å; S59-M108 PolarHBondContact N-O 2.85Å; S59-M108 PolarHBondContact O-N 2.93Å; S59-G200 WeakPolarHBondContact OG-CA 3.4Å
60	A	98.9	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.			trans	-81.5	142.3	178	0	0	0	0	0	111	H62 C63 M108 I212	A60-H62 VanDerWaalsContact C-N 3.28Å; A60-H62 PolarHBondContact O-N 2.89Å; A60-C63 VanDerWaalsContact O-CB 3.31Å; A60-C63 WeakPolarHBondContact O-CB 3.42Å; A60-C63 PolarHBondContact O-N 2.89Å; A60-C63 VanDerWaalsContact O-N 3.12Å; A60-M108 WeakPolarHBondContact O-CE 3.42Å; A60-M108 WeakPolarHBondContact O-CG 3.3Å; A60-M108 VanDerWaalsContact O-SD 3.34Å; A60-I212 HydrophobicContact CB-CG2 4.07Å
61	A	98.8	Very high	98.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-65.6	-30	179.5	0	0	0	0	0	113.1	C63 W64 R94 Y98 D106	A61-C63 PolarHBondContact O-N 2.82Å; A61-W64 VanDerWaalsContact O-CB 3.23Å; A61-W64 WeakPolarHBondContact O-CB 3.33Å; A61-W64 PolarHBondContact O-N 2.82Å; A61-W64 VanDerWaalsContact O-N 3.13Å; A61-R94 HydrophobicContact CB-CB 4.3Å; A61-R94 HydrophobicContact CB-CG 3.99Å; A61-Y98 HydrophobicContact CB-CD1 3.79Å; A61-Y98 HydrophobicContact CB-CD2 3.57Å; A61-Y98 HydrophobicContact CB-CE1 4.09Å; A61-Y98 HydrophobicContact CB-CE2 3.89Å; A61-Y98 HydrophobicContact CB-CG 3.51Å; A61-D106 WeakPolarHBondContact CA-OD1 3.2Å; A61-D106 WeakPolarHBondContact CB-OD1 3.36Å; A61-D106 PolarHBondContact N-OD1 2.85Å
62	H	98.6	Very high	98.2	Very high	64 Å²	64	36.8 Å²	36.8	30%	0.296	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-67.9	-16.7	175.3	77.3	-102.5	0	0	0	113.1	A60 W64 Y98 L103 D106 S199 S214	A60-H62 VanDerWaalsContact C-N 3.28Å; A60-H62 PolarHBondContact O-N 2.89Å; H62-W64 PolarHBondContact O-N 3.47Å; H62-Y98 VanDerWaalsContact CB-OH 3.27Å; H62-Y98 WeakPolarHBondContact CB-OH 3.49Å; H62-L103 HydrophobicContact CB-CD2 4.27Å; H62-D106 IonicContact CE1-OD2 3.71Å; H62-D106 PolarHBondContact CE1-OD2 3.1Å; H62-D106 IonicContact CG-OD1 3.5Å; H62-D106 IonicContact CG-OD2 3.83Å; H62-D106 PolarHBondContact N-OD1 2.79Å; H62-D106 IonicContact ND1-OD1 3.06Å; H62-D106 PolarHBondContact ND1-OD1 3.08Å; H62-D106 IonicContact ND1-OD2 2.79Å; H62-D106 PolarHBondContact ND1-OD2 3.28Å; H62-S199 PolarHBondContact CE1-OG 3.17Å; H62-S199 WeakPolarHBondContact NE2-CB 3.23Å; H62-S199 PolarHBondContact NE2-OG 3.45Å; H62-S214 PolarHBondContact CE1-O 2.81Å
63	C	98.6	Very high	98.2	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.027	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-80.8	4.5	172.3	-65.5	0	0	0	0	113.3	F46 C47 A60 A61 K65 M108	F46-C63 HydrophobicContact CE2-CB 4.21Å; F46-C63 VanDerWaalsContact CE2-O 3.26Å; F46-C63 WeakPolarHBondContact CE2-O 3.44Å; C47-C63 HydrophobicContact CB-CB 3.66Å; C47-C63 WeakPolarHBondContact CB-SG 3.4Å; C47-C63 WeakPolarHBondContact SG-CB 3.39Å; C47-C63 CovalentContact SG-SG 2.03Å; C47-C63 PolarHBondContact SG-SG 3.31Å; A60-C63 VanDerWaalsContact O-CB 3.31Å; A60-C63 WeakPolarHBondContact O-CB 3.42Å; A60-C63 PolarHBondContact O-N 2.89Å; A60-C63 VanDerWaalsContact O-N 3.12Å; A61-C63 PolarHBondContact O-N 2.82Å; C63-K65 PolarHBondContact O-N 3.43Å; C63-M108 HydrophobicContact CB-CE 3.72Å
64	W	98.5	Very high	98.2	Very high	107 Å²	107	35.2 Å²	35.2	41%	0.405	17%	0.168	S	C	.	.			trans	-60.2	132.9	-174.1	-179.6	91.3	0	0	0	113	A61 H62 V92 R94 M108	A61-W64 VanDerWaalsContact O-CB 3.23Å; A61-W64 WeakPolarHBondContact O-CB 3.33Å; A61-W64 PolarHBondContact O-N 2.82Å; A61-W64 VanDerWaalsContact O-N 3.13Å; H62-W64 PolarHBondContact O-N 3.47Å; W64-V92 VanDerWaalsContact CD1-CG1 3.47Å; W64-V92 HydrophobicContact CG-CG1 4.44Å; W64-R94 HydrophobicContact CB-CG 3.93Å; W64-R94 HydrophobicContact CG-CG 3.96Å; W64-M108 HydrophobicContact CB-SD 4.09Å
65	K	98	Very high	98.2	Very high	65 Å²	65	33.3 Å²	33.3	28%	0.283	16%	0.155	S	C	.	.			trans	-138.3	156.4	165.2	-65.7	179.4	-173.5	-98.2	0	108.6	S42 F46 C63 R67 I68	S42-K65 WeakPolarHBondContact OG-CD 3.45Å; S42-K65 WeakPolarHBondContact OG-CE 2.86Å; S42-K65 PolarHBondContact OG-NZ 3.38Å; F46-K65 HydrophobicContact CD1-CD 4.24Å; F46-K65 HydrophobicContact CD2-CD 4.38Å; F46-K65 HydrophobicContact CE1-CD 3.8Å; F46-K65 HydrophobicContact CE2-CD 3.99Å; F46-K65 HydrophobicContact CE2-CG 4.37Å; F46-K65 HydrophobicContact CZ-CD 3.67Å; F46-K65 HydrophobicContact CZ-CG 4.25Å; C63-K65 PolarHBondContact O-N 3.43Å; K65-R67 VanDerWaalsContact C-N 3.3Å; K65-R67 PolarHBondContact O-N 3.47Å; K65-I68 HydrophobicContact CB-CD1 4.41Å; K65-I68 HydrophobicContact CB-CG1 3.98Å
66	S	92.9	Very high	98.2	Very high	94 Å²	94	33.3 Å²	33.3	66%	0.657	15%	0.153	S	C	*	.	S	Bend	trans	-70.4	-24.8	-179.2	57.4	0	0	0	0	114
67	R	94.3	Very high	98.1	Very high	211 Å²	211	34.4 Å²	34.4	80%	0.796	16%	0.159	S	C	*	.	S	Bend	trans	-138.6	127.3	175	-62.5	-175.9	-176.1	-175.7	0.5	108.8	K65	K65-R67 VanDerWaalsContact C-N 3.3Å; K65-R67 PolarHBondContact O-N 3.47Å
68	I	98.5	Very high	98	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.184	C	C	.	.			trans	-131.6	129.1	179.9	-59.4	175.5	0	0	0	107.5	L40 F46 K65 V70 D88 S89 V92 M108 I110	L40-I68 HydrophobicContact CB-CG2 3.84Å; L40-I68 HydrophobicContact CD2-CG2 3.98Å; L40-I68 HydrophobicContact CG-CG2 4.35Å; F46-I68 HydrophobicContact CE1-CG2 4.41Å; F46-I68 HydrophobicContact CZ-CD1 4.17Å; F46-I68 HydrophobicContact CZ-CG1 4.11Å; F46-I68 HydrophobicContact CZ-CG2 4.24Å; K65-I68 HydrophobicContact CB-CD1 4.41Å; K65-I68 HydrophobicContact CB-CG1 3.98Å; I68-V70 HydrophobicContact CG2-CG2 4.16Å; I68-D88 CarbonylContact O-C 3.47Å; I68-S89 PolarHBondContact N-OG 2.77Å; I68-S89 VanDerWaalsContact N-OG 3.1Å; I68-S89 WeakPolarHBondContact O-CB 3.29Å; I68-S89 PolarHBondContact O-N 3.36Å; I68-S89 PolarHBondContact O-OG 3.33Å; I68-V92 HydrophobicContact CD1-CG1 4.18Å; I68-V92 HydrophobicContact CD1-CG2 4.01Å; I68-V92 HydrophobicContact CG1-CG2 4.41Å; I68-M108 HydrophobicContact CD1-CE 4.2Å; I68-I110 HydrophobicContact CD1-CD1 4.21Å
69	N	98.6	Very high	97.9	Very high	34 Å²	34	41.2 Å²	41.2	18%	0.182	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	111.7	164.9	-176	-105	0	0	0	107.4	N41 R71 D88	N41-N69 HydrophobicContact CB-CB 4.33Å; N41-N69 WeakPolarHBondContact CB-O 3.36Å; N41-N69 PolarHBondContact N-O 3.28Å; N41-N69 PolarHBondContact O-N 3.35Å; N69-R71 WeakPolarHBondContact OD1-CG 3.04Å; N69-R71 PolarHBondContact OD1-NE 3.18Å; N69-D88 PolarHBondContact ND2-OD1 2.94Å
70	V	98.8	Very high	97.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	115.4	178.8	-174.5	0	0	0	0	107.8	V38 L40 I68 L72 I87 I110 L112	V38-V70 HydrophobicContact CB-CG1 3.75Å; V38-V70 HydrophobicContact CG1-CG1 3.99Å; V38-V70 HydrophobicContact CG2-CG1 3.86Å; L40-V70 HydrophobicContact CD2-CG1 4.36Å; L40-V70 HydrophobicContact CD2-CG2 4.2Å; I68-V70 HydrophobicContact CG2-CG2 4.16Å; V70-L72 HydrophobicContact CG1-CD1 4.31Å; V70-L72 HydrophobicContact CG1-CG 4.36Å; V70-I87 WeakPolarHBondContact CA-O 3.43Å; V70-I87 WeakPolarHBondContact CB-O 3.15Å; V70-I87 PolarHBondContact N-O 3.01Å; V70-I87 PolarHBondContact O-N 3.1Å; V70-I110 HydrophobicContact CG2-CG2 3.88Å; V70-L112 HydrophobicContact CB-CD2 3.69Å; V70-L112 HydrophobicContact CG1-CD2 3.95Å; V70-L112 HydrophobicContact CG2-CD2 3.61Å
71	R	98.8	Very high	97.7	Very high	55 Å²	55	49.3 Å²	49.3	21%	0.208	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.7	178.9	-54.9	-167.9	176.8	-171.5	0.9	109.9	V38 S39 N41 N69 E74 Q85 F86	V38-R71 WeakPolarHBondContact CA-O 2.79Å; S39-R71 PolarHBondContact N-O 3.1Å; S39-R71 PolarHBondContact O-N 3.26Å; N41-R71 HydrophobicContact CB-CG 4.13Å; N41-R71 VanDerWaalsContact ND2-CZ 3.32Å; N41-R71 PolarHBondContact ND2-NE 3.17Å; N41-R71 PolarHBondContact ND2-NH2 3.11Å; N69-R71 WeakPolarHBondContact OD1-CG 3.04Å; N69-R71 PolarHBondContact OD1-NE 3.18Å; R71-E74 HydrophobicContact CB-CG 3.8Å; R71-E74 VanDerWaalsContact CD-OE1 3.23Å; R71-E74 WeakPolarHBondContact CD-OE1 3.4Å; R71-E74 IonicContact NH1-OE1 3.01Å; R71-Q85 WeakPolarHBondContact CA-O 3.37Å; R71-F86 HydrophobicContact CB-CD1 3.84Å; R71-F86 HydrophobicContact CB-CE1 4.04Å; R71-F86 HydrophobicContact CG-CD1 3.59Å; R71-F86 HydrophobicContact CG-CE1 3.93Å; R71-F86 HydrophobicContact CG-CG 4.45Å
72	L	98.9	Very high	97.7	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	156.8	179	-48.1	98.6	0	0	0	109.9	V38 L51 V70 E74 E84 Q85 I87 A116 V122	V38-L72 HydrophobicContact CG1-CB 4.37Å; V38-L72 HydrophobicContact CG1-CD2 3.78Å; V38-L72 HydrophobicContact CG1-CG 3.73Å; L51-L72 HydrophobicContact CB-CD2 4.42Å; L51-L72 HydrophobicContact CD1-CD2 3.67Å; L51-L72 HydrophobicContact CD2-CD2 3.64Å; L51-L72 HydrophobicContact CG-CD2 4.1Å; V70-L72 HydrophobicContact CG1-CD1 4.31Å; V70-L72 HydrophobicContact CG1-CG 4.36Å; L72-E74 PolarHBondContact O-N 3.31Å; L72-E84 CarbonylContact O-C 3.53Å; L72-E84 VanDerWaalsContact O-CA 3.23Å; L72-E84 WeakPolarHBondContact O-CA 3.12Å; L72-Q85 HydrophobicContact CB-CB 4.37Å; L72-Q85 HydrophobicContact CD1-CB 4.08Å; L72-Q85 WeakPolarHBondContact CD1-O 3.41Å; L72-Q85 PolarHBondContact N-O 2.94Å; L72-Q85 PolarHBondContact O-N 3.23Å; L72-I87 HydrophobicContact CD1-CB 4.5Å; L72-I87 HydrophobicContact CD1-CD1 3.85Å; L72-I87 HydrophobicContact CD1-CG1 4.09Å; L72-A116 HydrophobicContact CD1-CB 4.49Å; L72-A116 HydrophobicContact CD2-CB 3.95Å; L72-V122 HydrophobicContact CB-CG1 3.95Å; L72-V122 HydrophobicContact CB-CG2 3.89Å; L72-V122 HydrophobicContact CD2-CG1 3.76Å; L72-V122 HydrophobicContact CG-CG1 4.49Å
73	G	98.5	Very high	97.7	Very high	5 Å²	5	50.5 Å²	50.5	5%	0.052	28%	0.278	C	S	.	.	S	Bend	trans	70.3	20.1	175.9	0	0	0	0	0	114	T83	G73-T83 PolarHBondContact O-OG1 2.78Å
74	E	98.5	Very high	97.7	Very high	9 Å²	9	51.7 Å²	51.7	4%	0.042	28%	0.283	C	S	.	.			trans	-82.6	138.5	176.6	-71.4	-84.4	-158.1	0	0	110.5	R71 L72 I77 E84 F86 W143	R71-E74 HydrophobicContact CB-CG 3.8Å; R71-E74 VanDerWaalsContact CD-OE1 3.23Å; R71-E74 WeakPolarHBondContact CD-OE1 3.4Å; R71-E74 IonicContact NH1-OE1 3.01Å; L72-E74 PolarHBondContact O-N 3.31Å; E74-I77 HydrophobicContact CB-CG2 4.14Å; E74-I77 HydrophobicContact CG-CG2 4.35Å; E74-E84 HydrophobicContact CG-CG 4.2Å; E74-F86 WeakPolarHBondContact OE1-CE1 3.08Å; E74-W143 HydrophobicContact CB-CH2 4.21Å; E74-W143 HydrophobicContact CB-CZ2 3.89Å
75	H	98.3	Very high	97.7	Very high	6 Å²	6	48.2 Å²	48.2	3%	0.028	27%	0.271	C	S	.	.	S	Bend	trans	-118.7	-54.6	158.8	174.6	74.1	0	0	0	109.9	E28 C29 K31 E81 W143 T156 L157	E28-H75 IonicContact OE1-CE1 2.86Å; E28-H75 PolarHBondContact OE1-CE1 3.11Å; E28-H75 IonicContact OE1-NE2 3.57Å; E28-H75 PolarHBondContact OE1-NE2 2.76Å; C29-H75 PolarHBondContact O-CE1 2.99Å; K31-H75 HydrophobicContact CG-CB 3.91Å; H75-E81 WeakPolarHBondContact CB-OE2 3.34Å; H75-W143 PolarHBondContact O-NE1 3.48Å; H75-T156 CarbonylContact O-C 3.53Å; H75-T156 WeakPolarHBondContact O-CA 3.12Å; H75-L157 PolarHBondContact O-N 3.16Å
76	N	98.1	Very high	97.7	Very high	29 Å²	29	49.7 Å²	49.7	16%	0.155	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-99.2	105.7	171.1	-172.7	-43	0	0	0	111.7	A78 V79 E81 D155 T156	N76-A78 PolarHBondContact O-N 2.96Å; N76-A78 VanDerWaalsContact O-N 3.15Å; N76-A78 WeakPolarHBondContact OD1-CA 3.15Å; N76-A78 WeakPolarHBondContact OD1-CB 3.49Å; N76-A78 PolarHBondContact OD1-N 3Å; N76-V79 HydrophobicContact CB-CG2 3.84Å; N76-V79 PolarHBondContact O-N 2.82Å; N76-V79 PolarHBondContact OD1-N 3.23Å; N76-E81 HydrophobicContact CB-CG 4.47Å; N76-E81 PolarHBondContact N-OE2 2.75Å; N76-E81 VanDerWaalsContact N-OE2 3.08Å; N76-D155 CarbonylContact C-O 3.53Å; N76-D155 VanDerWaalsContact CA-O 3.27Å; N76-D155 WeakPolarHBondContact CA-O 3.23Å; N76-D155 WeakPolarHBondContact OD1-CB 3.46Å; N76-T156 HydrophobicContact CB-CG2 4.21Å
77	I	97.6	Very high	98	Very high	36 Å²	36	45.8 Å²	45.8	19%	0.185	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-5	-175.7	55.6	164.1	0	0	0	114.6	H45 E74 W143 D155	H45-I77 HydrophobicContact CB-CD1 3.63Å; E74-I77 HydrophobicContact CB-CG2 4.14Å; E74-I77 HydrophobicContact CG-CG2 4.35Å; I77-W143 HydrophobicContact CD1-CB 3.94Å; I77-W143 HydrophobicContact CD1-CG 3.97Å; I77-W143 HydrophobicContact CG1-CG 4.29Å; I77-W143 HydrophobicContact CG2-CD2 3.98Å; I77-W143 HydrophobicContact CG2-CG 4.21Å; I77-W143 HydrophobicContact CG2-CZ2 3.91Å; I77-D155 WeakPolarHBondContact CG1-O 3.25Å; I77-D155 PolarHBondContact N-O 2.75Å
78	A	96.6	Very high	98.2	Very high	63 Å²	63	40.1 Å²	40.1	52%	0.521	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-13.1	178.3	0	0	0	0	0	113.3	N76 D155	N76-A78 PolarHBondContact O-N 2.96Å; N76-A78 VanDerWaalsContact O-N 3.15Å; N76-A78 WeakPolarHBondContact OD1-CA 3.15Å; N76-A78 WeakPolarHBondContact OD1-CB 3.49Å; N76-A78 PolarHBondContact OD1-N 3Å; A78-D155 HydrophobicContact CB-CB 3.93Å
79	V	96.9	Very high	98.2	Very high	79 Å²	79	41 Å²	41	48%	0.479	24%	0.241	S	C	.	.	S	Bend	trans	-137	157.2	-178.9	-60.6	0	0	0	0	111.2	N76 E81	N76-V79 HydrophobicContact CB-CG2 3.84Å; N76-V79 PolarHBondContact O-N 2.82Å; N76-V79 PolarHBondContact OD1-N 3.23Å; V79-E81 HydrophobicContact CG2-CG 3.85Å
80	T	96.8	Very high	98.2	Very high	111 Å²	111	42.7 Å²	42.7	68%	0.681	26%	0.256	S	S	*	.			trans	-92	116.5	171.2	-54.9	0	0	0	0	109.3	E84	T80-E84 WeakPolarHBondContact CG2-OE2 3.45Å
81	E	97.7	Very high	98.1	Very high	60 Å²	60	45 Å²	45	28%	0.28	27%	0.27	S	S	.	.			trans	-98.7	-6.4	-175.9	-54.2	-167.9	99	0	0	113.4	K31 H75 N76 V79 E84	K31-E81 WeakPolarHBondContact CE-OE1 3.18Å; K31-E81 WeakPolarHBondContact CE-OE2 3.35Å; K31-E81 IonicContact NZ-OE1 3.84Å; K31-E81 PolarHBondContact NZ-OE1 2.02Å; K31-E81 IonicContact NZ-OE2 2.65Å; H75-E81 WeakPolarHBondContact CB-OE2 3.34Å; N76-E81 HydrophobicContact CB-CG 4.47Å; N76-E81 PolarHBondContact N-OE2 2.75Å; N76-E81 VanDerWaalsContact N-OE2 3.08Å; V79-E81 HydrophobicContact CG2-CG 3.85Å; E81-E84 WeakPolarHBondContact CA-OE1 3.38Å; E81-E84 WeakPolarHBondContact CB-OE1 3.39Å; E81-E84 PolarHBondContact N-OE1 3.31Å; E81-E84 PolarHBondContact N-OE2 2.97Å
82	G	98	Very high	98.1	Very high	69 Å²	69	43.4 Å²	43.4	71%	0.711	27%	0.266	S	S	*	.	S	Bend	trans	94.7	4.7	172.9	0	0	0	0	0	114.8	E84	G82-E84 WeakPolarHBondContact CA-OE2 3.49Å; G82-E84 PolarHBondContact N-OE2 3.32Å
83	T	98.1	Very high	98.1	Very high	21 Å²	21	45 Å²	45	13%	0.129	27%	0.274	C	S	.	.			trans	-104.8	-6.2	177	48	0	0	0	0	113.2	G73 Y121	G73-T83 PolarHBondContact O-OG1 2.78Å; T83-Y121 HydrophobicContact CG2-CD1 3.95Å; T83-Y121 HydrophobicContact CG2-CD2 3.54Å; T83-Y121 HydrophobicContact CG2-CE1 4.13Å; T83-Y121 HydrophobicContact CG2-CE2 3.75Å; T83-Y121 HydrophobicContact CG2-CG 3.62Å
84	E	98.8	Very high	98.1	Very high	29 Å²	29	50.2 Å²	50.2	14%	0.136	29%	0.293	C	S	.	.			trans	-77.4	148.2	-167.1	-56.9	77	-171.4	0	0	113.1	L72 E74 T80 E81 G82 F86	L72-E84 CarbonylContact O-C 3.53Å; L72-E84 VanDerWaalsContact O-CA 3.23Å; L72-E84 WeakPolarHBondContact O-CA 3.12Å; E74-E84 HydrophobicContact CG-CG 4.2Å; T80-E84 WeakPolarHBondContact CG2-OE2 3.45Å; E81-E84 WeakPolarHBondContact CA-OE1 3.38Å; E81-E84 WeakPolarHBondContact CB-OE1 3.39Å; E81-E84 PolarHBondContact N-OE1 3.31Å; E81-E84 PolarHBondContact N-OE2 2.97Å; G82-E84 WeakPolarHBondContact CA-OE2 3.49Å; G82-E84 PolarHBondContact N-OE2 3.32Å; E84-F86 HydrophobicContact CB-CD1 4.12Å; E84-F86 HydrophobicContact CB-CE1 3.4Å; E84-F86 VanDerWaalsContact CB-CE1 3.4Å; E84-F86 HydrophobicContact CB-CZ 3.73Å; E84-F86 HydrophobicContact CG-CE1 3.86Å; E84-F86 HydrophobicContact CG-CZ 4.04Å
85	Q	98.8	Very high	98.2	Very high	34 Å²	34	51 Å²	51	16%	0.159	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.6	164.7	-64.3	175.2	54.5	0	0	108.1	R71 L72 I87 A117	R71-Q85 WeakPolarHBondContact CA-O 3.37Å; L72-Q85 HydrophobicContact CB-CB 4.37Å; L72-Q85 HydrophobicContact CD1-CB 4.08Å; L72-Q85 WeakPolarHBondContact CD1-O 3.41Å; L72-Q85 PolarHBondContact N-O 2.94Å; L72-Q85 PolarHBondContact O-N 3.23Å; Q85-I87 HydrophobicContact CB-CD1 4.45Å; Q85-I87 HydrophobicContact CB-CG1 4.49Å; Q85-A117 PolarHBondContact NE2-O 3.41Å
86	F	98.7	Very high	98.2	Very high	96 Å²	96	55.8 Å²	55.8	42%	0.421	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	112.6	178.2	-54.9	-28.9	0	0	0	108.8	R71 E74 E84	R71-F86 HydrophobicContact CB-CD1 3.84Å; R71-F86 HydrophobicContact CB-CE1 4.04Å; R71-F86 HydrophobicContact CG-CD1 3.59Å; R71-F86 HydrophobicContact CG-CE1 3.93Å; R71-F86 HydrophobicContact CG-CG 4.45Å; E74-F86 WeakPolarHBondContact OE1-CE1 3.08Å; E84-F86 HydrophobicContact CB-CD1 4.12Å; E84-F86 HydrophobicContact CB-CE1 3.4Å; E84-F86 VanDerWaalsContact CB-CE1 3.4Å; E84-F86 HydrophobicContact CB-CZ 3.73Å; E84-F86 HydrophobicContact CG-CE1 3.86Å; E84-F86 HydrophobicContact CG-CZ 4.04Å
87	I	98.8	Very high	98.2	Very high	11 Å²	11	57.9 Å²	57.9	6%	0.056	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	122.4	-173.6	-51.1	177.1	0	0	0	109	V70 L72 Q85 L112 A116	V70-I87 WeakPolarHBondContact CA-O 3.43Å; V70-I87 WeakPolarHBondContact CB-O 3.15Å; V70-I87 PolarHBondContact N-O 3.01Å; V70-I87 PolarHBondContact O-N 3.1Å; L72-I87 HydrophobicContact CD1-CB 4.5Å; L72-I87 HydrophobicContact CD1-CD1 3.85Å; L72-I87 HydrophobicContact CD1-CG1 4.09Å; Q85-I87 HydrophobicContact CB-CD1 4.45Å; Q85-I87 HydrophobicContact CB-CG1 4.49Å; I87-L112 HydrophobicContact CD1-CD1 4.26Å; I87-L112 HydrophobicContact CG2-CB 3.88Å; I87-L112 HydrophobicContact CG2-CD2 4.48Å; I87-A116 HydrophobicContact CD1-CB 3.91Å
88	D	98.8	Very high	98.3	Very high	92 Å²	92	58.1 Å²	58.1	49%	0.492	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	150.4	177.3	-70.1	-26.3	0	0	0	111.3	I68 N69 S113	I68-D88 CarbonylContact O-C 3.47Å; N69-D88 PolarHBondContact ND2-OD1 2.94Å; D88-S113 WeakPolarHBondContact O-CB 3.45Å; D88-S113 PolarHBondContact O-N 3.35Å; D88-S113 PolarHBondContact O-OG 3.13Å
89	S	98.6	Very high	98.4	Very high	20 Å²	20	58.1 Å²	58.1	14%	0.14	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.6	171.2	61.9	0	0	0	0	110.9	I68 K111	I68-S89 PolarHBondContact N-OG 2.77Å; I68-S89 VanDerWaalsContact N-OG 3.1Å; I68-S89 WeakPolarHBondContact O-CB 3.29Å; I68-S89 PolarHBondContact O-N 3.36Å; I68-S89 PolarHBondContact O-OG 3.33Å; S89-K111 CarbonylContact C-O 3.5Å; S89-K111 WeakPolarHBondContact CA-O 3.26Å
90	S	98.2	Very high	98.4	Very high	70 Å²	70	58 Å²	58	49%	0.49	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-37.8	166.5	66.6	0	0	0	0	112	K111	S90-K111 PolarHBondContact N-O 2.75Å; S90-K111 WeakPolarHBondContact OG-CB 3.14Å; S90-K111 WeakPolarHBondContact OG-CG 3.21Å; S90-K111 PolarHBondContact OG-O 2.58Å
91	V	97.9	Very high	98.4	Very high	49 Å²	49	62.9 Å²	62.9	30%	0.297	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	144.4	175.3	64.9	0	0	0	0	110.6	I93 K111	V91-I93 HydrophobicContact CG1-CD1 4.14Å; V91-I93 HydrophobicContact CG1-CG1 4.3Å; V91-I93 HydrophobicContact CG2-CD1 4.25Å; V91-I93 HydrophobicContact CG2-CG1 3.75Å; V91-K111 HydrophobicContact CG1-CB 3.46Å; V91-K111 VanDerWaalsContact CG1-CB 3.46Å; V91-K111 HydrophobicContact CG1-CD 4.15Å; V91-K111 HydrophobicContact CG1-CG 4.4Å; V91-K111 PolarHBondContact O-N 2.9Å
92	V	98.5	Very high	98.4	Very high	21 Å²	21	63.2 Å²	63.2	13%	0.127	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114.2	176.4	-171.1	0	0	0	0	108.5	W64 I68 M108 L109 I110	W64-V92 VanDerWaalsContact CD1-CG1 3.47Å; W64-V92 HydrophobicContact CG-CG1 4.44Å; I68-V92 HydrophobicContact CD1-CG1 4.18Å; I68-V92 HydrophobicContact CD1-CG2 4.01Å; I68-V92 HydrophobicContact CG1-CG2 4.41Å; V92-M108 HydrophobicContact CG1-CE 4.44Å; V92-M108 HydrophobicContact CG1-SD 3.59Å; V92-M108 VanDerWaalsContact CG1-SD 3.59Å; V92-L109 WeakPolarHBondContact CA-O 3.48Å; V92-I110 HydrophobicContact CG1-CG1 4.3Å; V92-I110 HydrophobicContact CG2-CG2 4.38Å
93	I	98.8	Very high	98.5	Very high	36 Å²	36	61.7 Å²	61.7	19%	0.185	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	106.4	-169.5	-51.5	174.3	0	0	0	108.8	W56 V91 M108 L109 W237 T241 N245	W56-I93 HydrophobicContact CH2-CD1 4.11Å; W56-I93 HydrophobicContact CZ3-CD1 4.29Å; V91-I93 HydrophobicContact CG1-CD1 4.14Å; V91-I93 HydrophobicContact CG1-CG1 4.3Å; V91-I93 HydrophobicContact CG2-CD1 4.25Å; V91-I93 HydrophobicContact CG2-CG1 3.75Å; I93-M108 CarbonylContact O-C 3.56Å; I93-M108 WeakPolarHBondContact O-CA 3.34Å; I93-M108 VanDerWaalsContact O-CB 3.31Å; I93-M108 WeakPolarHBondContact O-CB 3.27Å; I93-L109 PolarHBondContact N-O 2.03Å; I93-L109 PolarHBondContact O-N 2.87Å; I93-W237 HydrophobicContact CG2-CZ2 4.49Å; I93-T241 HydrophobicContact CB-CG2 4.44Å; I93-T241 HydrophobicContact CD1-CG2 3.57Å; I93-T241 HydrophobicContact CG2-CG2 4.14Å; I93-N245 HydrophobicContact CD1-CB 4.48Å
94	R	98.7	Very high	98.5	Very high	114 Å²	114	62.2 Å²	62.2	43%	0.43	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	150.9	169.1	-70.3	-176.4	-69.9	-175.5	1.1	110.3	A61 W64 M108	A61-R94 HydrophobicContact CB-CB 4.3Å; A61-R94 HydrophobicContact CB-CG 3.99Å; W64-R94 HydrophobicContact CB-CG 3.93Å; W64-R94 HydrophobicContact CG-CG 3.96Å; R94-M108 HydrophobicContact CG-CB 4.28Å
95	H	98.9	Very high	98.5	Very high	24 Å²	24	61.7 Å²	61.7	11%	0.111	33%	0.327	C	S	.	.			trans	-54.7	132.8	167.8	-165.2	-88.9	0	0	0	109.9	S97 Y98 N105 I107 Y234 W237	H95-S97 PolarHBondContact ND1-N 2.94Å; H95-S97 PolarHBondContact O-N 2.83Å; H95-S97 VanDerWaalsContact O-N 3.13Å; H95-Y98 VanDerWaalsContact O-CB 3.32Å; H95-Y98 WeakPolarHBondContact O-CB 3.39Å; H95-Y98 PolarHBondContact O-N 2.98Å; H95-N105 HydrophobicContact CB-CB 4.22Å; H95-N105 WeakPolarHBondContact ND1-CB 3.13Å; H95-I107 HydrophobicContact CB-CG2 3.73Å; H95-I107 WeakPolarHBondContact CB-O 3.34Å; H95-I107 PolarHBondContact N-O 2.75Å; H95-Y234 AromaticContact CD2-CD1 3.63Å; H95-Y234 AromaticContact CD2-CE1 3.66Å; H95-Y234 AromaticContact NE2-CD1 3.7Å; H95-Y234 AromaticContact NE2-CE1 3.62Å; H95-W237 HydrophobicContact CB-CH2 4.46Å; H95-W237 HydrophobicContact CB-CZ2 4.24Å; H95-W237 AromaticContact CD2-CD1 3.98Å; H95-W237 AromaticContact CD2-CD2 3.46Å; H95-W237 VanDerWaalsContact CD2-CD2 3.46Å; H95-W237 AromaticContact CD2-CE2 3.64Å; H95-W237 AromaticContact CD2-CE3 3.85Å; H95-W237 AromaticContact CD2-CG 3.72Å; H95-W237 AromaticContact CD2-NE1 3.94Å; H95-W237 AromaticContact NE2-CG 3.87Å
96	P	98.5	Very high	98.5	Very high	108 Å²	108	60.1 Å²	60.1	70%	0.701	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.3	-174.5	23.9	-35	0	0	0	113.4
97	S	98.8	Very high	98.5	Very high	73 Å²	73	55.5 Å²	55.5	51%	0.51	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	15	177.5	-48.7	0	0	0	0	113.9	H95 N99 N105	H95-S97 PolarHBondContact ND1-N 2.94Å; H95-S97 PolarHBondContact O-N 2.83Å; H95-S97 VanDerWaalsContact O-N 3.13Å; S97-N99 PolarHBondContact O-N 2.79Å; S97-N105 PolarHBondContact O-ND2 3Å
98	Y	98.8	Very high	98.5	Very high	40 Å²	40	55 Å²	55	16%	0.157	30%	0.296	C	S	.	.			trans	-59.9	127.3	175.5	170.3	-119.7	0	0	0	111	A61 H62 H95 L103 D104 D106	A61-Y98 HydrophobicContact CB-CD1 3.79Å; A61-Y98 HydrophobicContact CB-CD2 3.57Å; A61-Y98 HydrophobicContact CB-CE1 4.09Å; A61-Y98 HydrophobicContact CB-CE2 3.89Å; A61-Y98 HydrophobicContact CB-CG 3.51Å; H62-Y98 VanDerWaalsContact CB-OH 3.27Å; H62-Y98 WeakPolarHBondContact CB-OH 3.49Å; H95-Y98 VanDerWaalsContact O-CB 3.32Å; H95-Y98 WeakPolarHBondContact O-CB 3.39Å; H95-Y98 PolarHBondContact O-N 2.98Å; Y98-L103 HydrophobicContact CE2-CD2 4.11Å; Y98-L103 WeakPolarHBondContact OH-CD2 3.25Å; Y98-D104 WeakPolarHBondContact CA-O 3.27Å; Y98-D106 HydrophobicContact CD2-CB 4.26Å; Y98-D106 HydrophobicContact CE2-CB 4.05Å
99	N	98.7	Very high	98.5	Very high	64 Å²	64	50.6 Å²	50.6	34%	0.342	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-113.1	112	175.5	-175.5	-27.1	0	0	0	109.9	S97 Y101 T102 L103 D104	S97-N99 PolarHBondContact O-N 2.79Å; N99-Y101 PolarHBondContact O-N 3.3Å; N99-Y101 WeakPolarHBondContact OD1-CB 3.39Å; N99-Y101 PolarHBondContact OD1-N 3.34Å; N99-T102 WeakPolarHBondContact CB-OG1 3.13Å; N99-T102 PolarHBondContact O-N 3.07Å; N99-T102 PolarHBondContact OD1-N 2.99Å; N99-L103 WeakPolarHBondContact O-CA 3.38Å; N99-L103 PolarHBondContact O-N 3.11Å; N99-D104 PolarHBondContact N-O 2.79Å
100	S	98	Very high	98.5	Very high	75 Å²	75	49.7 Å²	49.7	52%	0.524	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-13.7	-178.3	58.3	0	0	0	0	115
101	Y	97.2	Very high	98.6	Very high	214 Å²	214	48.8 Å²	48.8	84%	0.839	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-40	176.8	-63.7	-79.9	0	0	0	112	N99	N99-Y101 PolarHBondContact O-N 3.3Å; N99-Y101 WeakPolarHBondContact OD1-CB 3.39Å; N99-Y101 PolarHBondContact OD1-N 3.34Å
102	T	97.8	Very high	98.6	Very high	67 Å²	67	46.7 Å²	46.7	41%	0.411	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-10.1	-177.9	65.1	0	0	0	0	113.2	N99 D104 M182	N99-T102 WeakPolarHBondContact CB-OG1 3.13Å; N99-T102 PolarHBondContact O-N 3.07Å; N99-T102 PolarHBondContact OD1-N 2.99Å; T102-D104 PolarHBondContact O-N 3.3Å; T102-D104 VanDerWaalsContact O-N 3.14Å; T102-D104 WeakPolarHBondContact OG1-CB 3.31Å; T102-D104 PolarHBondContact OG1-N 3.45Å; T102-M182 WeakPolarHBondContact O-CE 3.42Å
103	L	98.5	Very high	98.6	Very high	37 Å²	37	49.1 Å²	49.1	19%	0.194	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	23.3	-168.7	-56.4	178.1	0	0	0	113.4	H62 Y98 N99 D106 M182 W215	H62-L103 HydrophobicContact CB-CD2 4.27Å; Y98-L103 HydrophobicContact CE2-CD2 4.11Å; Y98-L103 WeakPolarHBondContact OH-CD2 3.25Å; N99-L103 WeakPolarHBondContact O-CA 3.38Å; N99-L103 PolarHBondContact O-N 3.11Å; L103-D106 HydrophobicContact CB-CB 4.41Å; L103-D106 VanDerWaalsContact O-CB 3.23Å; L103-D106 WeakPolarHBondContact O-CB 3.39Å; L103-D106 PolarHBondContact O-N 3.49Å; L103-M182 WeakPolarHBondContact O-CE 3.19Å; L103-W215 HydrophobicContact CD1-CB 3.53Å; L103-W215 HydrophobicContact CD1-CG 3.69Å
104	D	98.8	Very high	98.6	Very high	33 Å²	33	50.2 Å²	50.2	18%	0.176	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-71.7	141.3	171	-169.1	43.5	0	0	0	109.9	Y98 N99 T102 D106 T179 N181 M182	Y98-D104 WeakPolarHBondContact CA-O 3.27Å; N99-D104 PolarHBondContact N-O 2.79Å; T102-D104 PolarHBondContact O-N 3.3Å; T102-D104 VanDerWaalsContact O-N 3.14Å; T102-D104 WeakPolarHBondContact OG1-CB 3.31Å; T102-D104 PolarHBondContact OG1-N 3.45Å; D104-D106 VanDerWaalsContact C-N 3.28Å; D104-D106 PolarHBondContact O-N 3.26Å; D104-T179 HydrophobicContact CB-CG2 4.02Å; D104-T179 WeakPolarHBondContact OD1-CB 3.33Å; D104-T179 PolarHBondContact OD1-OG1 2.97Å; D104-N181 WeakPolarHBondContact OD1-CB 3.26Å; D104-N181 PolarHBondContact OD1-ND2 3.47Å; D104-N181 PolarHBondContact OD2-ND2 2.73Å; D104-M182 HydrophobicContact CB-CE 4.35Å
105	N	98.8	Very high	98.6	Very high	18 Å²	18	48.8 Å²	48.8	10%	0.096	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	39.9	-171.9	-45.8	-77	0	0	0	113.9	H95 S97 I107 N181 Y234	H95-N105 HydrophobicContact CB-CB 4.22Å; H95-N105 WeakPolarHBondContact ND1-CB 3.13Å; S97-N105 PolarHBondContact O-ND2 3Å; N105-I107 PolarHBondContact O-N 3.28Å; N105-N181 PolarHBondContact OD1-ND2 2.56Å; N105-N181 VanDerWaalsContact OD1-ND2 3.16Å; N105-Y234 VanDerWaalsContact CA-OH 3.29Å; N105-Y234 WeakPolarHBondContact CA-OH 3.45Å; N105-Y234 HydrophobicContact CB-CE1 4.33Å; N105-Y234 PolarHBondContact OD1-OH 3.48Å
106	D	98.9	Very high	98.6	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.272	C	S	.	.			trans	-75.7	71.1	177.4	-173.9	30.9	0	0	0	112.3	A61 H62 Y98 L103 D104 S214 T229	A61-D106 WeakPolarHBondContact CA-OD1 3.2Å; A61-D106 WeakPolarHBondContact CB-OD1 3.36Å; A61-D106 PolarHBondContact N-OD1 2.85Å; H62-D106 IonicContact CE1-OD2 3.71Å; H62-D106 PolarHBondContact CE1-OD2 3.1Å; H62-D106 IonicContact CG-OD1 3.5Å; H62-D106 IonicContact CG-OD2 3.83Å; H62-D106 PolarHBondContact N-OD1 2.79Å; H62-D106 IonicContact ND1-OD1 3.06Å; H62-D106 PolarHBondContact ND1-OD1 3.08Å; H62-D106 IonicContact ND1-OD2 2.79Å; H62-D106 PolarHBondContact ND1-OD2 3.28Å; Y98-D106 HydrophobicContact CD2-CB 4.26Å; Y98-D106 HydrophobicContact CE2-CB 4.05Å; L103-D106 HydrophobicContact CB-CB 4.41Å; L103-D106 VanDerWaalsContact O-CB 3.23Å; L103-D106 WeakPolarHBondContact O-CB 3.39Å; L103-D106 PolarHBondContact O-N 3.49Å; D104-D106 VanDerWaalsContact C-N 3.28Å; D104-D106 PolarHBondContact O-N 3.26Å; D106-S214 WeakPolarHBondContact OD2-CB 3.48Å; D106-S214 PolarHBondContact OD2-OG 2.86Å; D106-T229 PolarHBondContact O-OG1 2.77Å
107	I	98.9	Very high	98.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.263	C	S	.	.			trans	-143	140	177.6	-174.7	172.7	0	0	0	110.5	V58 S59 H95 N105 I212 T229 Y234 W237 I238	V58-I107 HydrophobicContact CG2-CD1 3.74Å; V58-I107 HydrophobicContact CG2-CG1 3.64Å; S59-I107 CarbonylContact O-C 3.53Å; S59-I107 WeakPolarHBondContact O-CA 3.29Å; H95-I107 HydrophobicContact CB-CG2 3.73Å; H95-I107 WeakPolarHBondContact CB-O 3.34Å; H95-I107 PolarHBondContact N-O 2.75Å; N105-I107 PolarHBondContact O-N 3.28Å; I107-I212 HydrophobicContact CB-CD1 4.18Å; I107-I212 HydrophobicContact CD1-CD1 3.69Å; I107-I212 HydrophobicContact CG1-CD1 3.59Å; I107-T229 HydrophobicContact CB-CG2 4.17Å; I107-Y234 HydrophobicContact CD1-CD2 4.26Å; I107-Y234 HydrophobicContact CD1-CG 3.98Å; I107-Y234 HydrophobicContact CG2-CD1 3.73Å; I107-Y234 HydrophobicContact CG2-CD2 4.44Å; I107-Y234 HydrophobicContact CG2-CE1 3.78Å; I107-Y234 HydrophobicContact CG2-CE2 4.48Å; I107-Y234 HydrophobicContact CG2-CG 4.08Å; I107-W237 HydrophobicContact CD1-CE3 4.41Å; I107-W237 HydrophobicContact CD1-CZ3 3.9Å; I107-W237 HydrophobicContact CG1-CH2 4.49Å; I107-W237 HydrophobicContact CG1-CZ3 3.86Å; I107-W237 HydrophobicContact CG2-CE3 4.43Å; I107-W237 HydrophobicContact CG2-CH2 4.44Å; I107-W237 HydrophobicContact CG2-CZ3 3.98Å; I107-I238 HydrophobicContact CD1-CD1 4.12Å; I107-I238 HydrophobicContact CD1-CG1 4.42Å
108	M	98.9	Very high	98.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.7	170.6	69.8	177.3	-179.3	0	0	111.6	L40 V58 S59 A60 C63 W64 I68 V92 I93 R94 I110	L40-M108 HydrophobicContact CD1-CE 3.88Å; V58-M108 WeakPolarHBondContact CA-O 3.45Å; V58-M108 WeakPolarHBondContact CG2-O 3.22Å; S59-M108 PolarHBondContact N-O 2.85Å; S59-M108 PolarHBondContact O-N 2.93Å; A60-M108 WeakPolarHBondContact O-CE 3.42Å; A60-M108 WeakPolarHBondContact O-CG 3.3Å; A60-M108 VanDerWaalsContact O-SD 3.34Å; C63-M108 HydrophobicContact CB-CE 3.72Å; W64-M108 HydrophobicContact CB-SD 4.09Å; I68-M108 HydrophobicContact CD1-CE 4.2Å; V92-M108 HydrophobicContact CG1-CE 4.44Å; V92-M108 HydrophobicContact CG1-SD 3.59Å; V92-M108 VanDerWaalsContact CG1-SD 3.59Å; I93-M108 CarbonylContact O-C 3.56Å; I93-M108 WeakPolarHBondContact O-CA 3.34Å; I93-M108 VanDerWaalsContact O-CB 3.31Å; I93-M108 WeakPolarHBondContact O-CB 3.27Å; R94-M108 HydrophobicContact CG-CB 4.28Å; M108-I110 HydrophobicContact CE-CD1 4.03Å; M108-I110 HydrophobicContact CE-CG1 4.31Å
109	L	98.9	Very high	98.6	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.3	168.9	-72.7	176.8	0	0	0	110.8	I52 W56 A57 V58 V92 I93 W237 I238 T241 M242	I52-L109 HydrophobicContact CD1-CD2 3.74Å; W56-L109 HydrophobicContact CE3-CB 3.92Å; W56-L109 HydrophobicContact CE3-CD1 4.44Å; W56-L109 HydrophobicContact CZ3-CB 3.8Å; W56-L109 HydrophobicContact CZ3-CD1 4.37Å; A57-L109 WeakPolarHBondContact O-CA 3.46Å; V58-L109 HydrophobicContact CB-CD2 3.98Å; V58-L109 HydrophobicContact CG2-CD2 4.12Å; V92-L109 WeakPolarHBondContact CA-O 3.48Å; I93-L109 PolarHBondContact N-O 2.03Å; I93-L109 PolarHBondContact O-N 2.87Å; L109-W237 HydrophobicContact CB-CH2 4.36Å; L109-W237 HydrophobicContact CD1-CH2 4.14Å; L109-W237 HydrophobicContact CD1-CZ3 4.18Å; L109-W237 HydrophobicContact CG-CH2 3.79Å; L109-W237 HydrophobicContact CG-CZ3 3.9Å; L109-I238 HydrophobicContact CD1-CG2 4.32Å; L109-I238 HydrophobicContact CD2-CG1 4.5Å; L109-I238 HydrophobicContact CD2-CG2 4.24Å; L109-T241 HydrophobicContact CD1-CG2 3.71Å; L109-M242 HydrophobicContact CD1-CG 4.2Å
110	I	98.9	Very high	98.6	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.2	175.9	-50.3	173.8	0	0	0	107.1	L40 W56 A57 I68 V70 V92 M108	L40-I110 HydrophobicContact CD1-CD1 3.76Å; L40-I110 HydrophobicContact CD2-CD1 3.58Å; L40-I110 HydrophobicContact CG-CD1 4.35Å; W56-I110 WeakPolarHBondContact CA-O 3.4Å; A57-I110 HydrophobicContact CB-CB 4.43Å; A57-I110 PolarHBondContact N-O 3.26Å; A57-I110 PolarHBondContact O-N 3.1Å; I68-I110 HydrophobicContact CD1-CD1 4.21Å; V70-I110 HydrophobicContact CG2-CG2 3.88Å; V92-I110 HydrophobicContact CG1-CG1 4.3Å; V92-I110 HydrophobicContact CG2-CG2 4.38Å; M108-I110 HydrophobicContact CE-CD1 4.03Å; M108-I110 HydrophobicContact CE-CG1 4.31Å
111	K	98.8	Very high	98.6	Very high	52 Å²	52	50.4 Å²	50.4	23%	0.226	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.9	168.8	-168.4	173.6	177.8	158.8	0	108.8	S55 W56 S89 S90 V91 N245	S55-K111 WeakPolarHBondContact O-CA 3.34Å; W56-K111 HydrophobicContact CD2-CB 4.12Å; W56-K111 HydrophobicContact CD2-CG 4.22Å; W56-K111 HydrophobicContact CE3-CB 3.86Å; W56-K111 HydrophobicContact CE3-CG 4.46Å; W56-K111 HydrophobicContact CH2-CB 3.69Å; W56-K111 HydrophobicContact CH2-CD 4.03Å; W56-K111 HydrophobicContact CH2-CG 4.12Å; W56-K111 HydrophobicContact CZ2-CB 3.94Å; W56-K111 HydrophobicContact CZ2-CD 3.62Å; W56-K111 HydrophobicContact CZ2-CG 3.83Å; W56-K111 HydrophobicContact CZ3-CB 3.64Å; W56-K111 HydrophobicContact CZ3-CG 4.41Å; S89-K111 CarbonylContact C-O 3.5Å; S89-K111 WeakPolarHBondContact CA-O 3.26Å; S90-K111 PolarHBondContact N-O 2.75Å; S90-K111 WeakPolarHBondContact OG-CB 3.14Å; S90-K111 WeakPolarHBondContact OG-CG 3.21Å; S90-K111 PolarHBondContact OG-O 2.58Å; V91-K111 HydrophobicContact CG1-CB 3.46Å; V91-K111 VanDerWaalsContact CG1-CB 3.46Å; V91-K111 HydrophobicContact CG1-CD 4.15Å; V91-K111 HydrophobicContact CG1-CG 4.4Å; V91-K111 PolarHBondContact O-N 2.9Å; K111-N245 PolarHBondContact NZ-O 3.03Å; K111-N245 PolarHBondContact NZ-OXT 2.89Å
112	L	98.9	Very high	98.7	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	142.4	175.9	-57.2	-175.9	0	0	0	110.6	L51 S55 V70 I87 S114 A116	L51-L112 HydrophobicContact CD1-CD1 4.06Å; S55-L112 PolarHBondContact O-N 2.84Å; V70-L112 HydrophobicContact CB-CD2 3.69Å; V70-L112 HydrophobicContact CG1-CD2 3.95Å; V70-L112 HydrophobicContact CG2-CD2 3.61Å; I87-L112 HydrophobicContact CD1-CD1 4.26Å; I87-L112 HydrophobicContact CG2-CB 3.88Å; I87-L112 HydrophobicContact CG2-CD2 4.48Å; L112-S114 WeakPolarHBondContact CB-O 3.02Å; L112-S114 PolarHBondContact O-N 3.41Å; L112-A116 HydrophobicContact CD1-CB 4.26Å
113	S	98.7	Very high	98.7	Very high	71 Å²	71	38.9 Å²	38.9	50%	0.497	23%	0.232	S	C	.	.	S	Bend	trans	-65.1	-25.1	176.5	53.7	0	0	0	0	113.5	D88	D88-S113 WeakPolarHBondContact O-CB 3.45Å; D88-S113 PolarHBondContact O-N 3.35Å; D88-S113 PolarHBondContact O-OG 3.13Å
114	S	98.6	Very high	98.7	Very high	60 Å²	60	39.7 Å²	39.7	42%	0.42	24%	0.238	S	C	.	.	S	Bend	trans	-140	152.6	168.5	56.8	0	0	0	0	110.1	L112 A116	L112-S114 WeakPolarHBondContact CB-O 3.02Å; L112-S114 PolarHBondContact O-N 3.41Å; S114-A116 PolarHBondContact O-N 2.67Å
115	P	98.8	Very high	98.7	Very high	84 Å²	84	38.4 Å²	38.4	55%	0.545	23%	0.231	S	C	.	.			trans	-63.3	135.9	174	-19.2	31.3	0	0	0	111.3	S54	S54-P115 CarbonylContact O-C 3.47Å; S54-P115 WeakPolarHBondContact O-CA 3.34Å
116	A	98.8	Very high	98.7	Very high	6 Å²	6	41 Å²	41	5%	0.05	25%	0.251	C	S	.	.			trans	-65.7	140.5	169.4	0	0	0	0	0	111.1	L51 S54 L72 I87 L112 S114 L118 V122	L51-A116 HydrophobicContact CD2-CB 4.45Å; S54-A116 PolarHBondContact O-N 3.3Å; L72-A116 HydrophobicContact CD1-CB 4.49Å; L72-A116 HydrophobicContact CD2-CB 3.95Å; I87-A116 HydrophobicContact CD1-CB 3.91Å; L112-A116 HydrophobicContact CD1-CB 4.26Å; S114-A116 PolarHBondContact O-N 2.67Å; A116-L118 PolarHBondContact O-N 3.31Å; A116-V122 HydrophobicContact CB-CG1 4.27Å
117	A	98.8	Very high	98.7	Very high	62 Å²	62	42.9 Å²	42.9	51%	0.512	26%	0.261	S	S	.	.			trans	-79	99.6	172.9	0	0	0	0	0	109.7	Q85 N119	Q85-A117 PolarHBondContact NE2-O 3.41Å; A117-N119 PolarHBondContact O-ND2 2.89Å; A117-N119 VanDerWaalsContact O-ND2 3.11Å
118	L	98.8	Very high	98.7	Very high	90 Å²	90	42.9 Å²	42.9	47%	0.471	26%	0.261	S	S	.	.			trans	-68.5	134	-178.6	-55.1	-176.5	0	0	0	111.5	L51 A116 V122 T124	L51-L118 HydrophobicContact CD2-CD2 3.79Å; A116-L118 PolarHBondContact O-N 3.31Å; L118-V122 CarbonylContact C-O 3.58Å; L118-V122 VanDerWaalsContact CA-O 3.25Å; L118-V122 WeakPolarHBondContact CA-O 3.34Å; L118-V122 HydrophobicContact CD2-CG1 4.29Å; L118-T124 HydrophobicContact CD1-CG2 4.18Å; L118-T124 HydrophobicContact CD2-CG2 4.22Å
119	N	98.5	Very high	98.6	Very high	70 Å²	70	47.7 Å²	47.7	37%	0.374	29%	0.294	S	S	.	.	S	Bend	trans	-158.4	-164.5	-179.4	61.4	57	0	0	0	110.4	A117 Y121 V122	A117-N119 PolarHBondContact O-ND2 2.89Å; A117-N119 VanDerWaalsContact O-ND2 3.11Å; N119-Y121 PolarHBondContact O-N 3.41Å; N119-Y121 WeakPolarHBondContact OD1-CA 3.01Å; N119-Y121 WeakPolarHBondContact OD1-CB 3.31Å; N119-Y121 WeakPolarHBondContact OD1-CD2 3.34Å; N119-Y121 PolarHBondContact OD1-N 2.84Å; N119-V122 PolarHBondContact N-O 3.1Å; N119-V122 CarbonylContact O-C 3.58Å; N119-V122 PolarHBondContact OD1-N 2.88Å; N119-V122 VanDerWaalsContact OD1-N 3.13Å
120	S	97.9	Very high	98.5	Very high	86 Å²	86	51.3 Å²	51.3	60%	0.601	32%	0.32	S	S	*	.	S	Bend	trans	-67.1	-18.9	-179.4	52.9	0	0	0	0	115.1
121	Y	98.2	Very high	98.5	Very high	104 Å²	104	53.9 Å²	53.9	41%	0.408	34%	0.337	S	S	.	.	S	Bend	trans	-105.2	-21.7	-178.1	-43.9	-61.5	0	0	0	112.5	N32 P35 T83 N119	N32-Y121 HydrophobicContact CB-CD1 3.77Å; N32-Y121 WeakPolarHBondContact ND2-CD1 3.48Å; P35-Y121 WeakPolarHBondContact CA-O 3.26Å; P35-Y121 WeakPolarHBondContact CB-O 3.36Å; T83-Y121 HydrophobicContact CG2-CD1 3.95Å; T83-Y121 HydrophobicContact CG2-CD2 3.54Å; T83-Y121 HydrophobicContact CG2-CE1 4.13Å; T83-Y121 HydrophobicContact CG2-CE2 3.75Å; T83-Y121 HydrophobicContact CG2-CG 3.62Å; N119-Y121 PolarHBondContact O-N 3.41Å; N119-Y121 WeakPolarHBondContact OD1-CA 3.01Å; N119-Y121 WeakPolarHBondContact OD1-CB 3.31Å; N119-Y121 WeakPolarHBondContact OD1-CD2 3.34Å; N119-Y121 PolarHBondContact OD1-N 2.84Å
122	V	98.8	Very high	98.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	-129	106.9	179.3	180	0	0	0	0	108.7	P35 L51 L72 A116 L118 N119	P35-V122 WeakPolarHBondContact O-CA 3.23Å; L51-V122 HydrophobicContact CD2-CG1 3.94Å; L72-V122 HydrophobicContact CB-CG1 3.95Å; L72-V122 HydrophobicContact CB-CG2 3.89Å; L72-V122 HydrophobicContact CD2-CG1 3.76Å; L72-V122 HydrophobicContact CG-CG1 4.49Å; A116-V122 HydrophobicContact CB-CG1 4.27Å; L118-V122 CarbonylContact C-O 3.58Å; L118-V122 VanDerWaalsContact CA-O 3.25Å; L118-V122 WeakPolarHBondContact CA-O 3.34Å; L118-V122 HydrophobicContact CD2-CG1 4.29Å; N119-V122 PolarHBondContact N-O 3.1Å; N119-V122 CarbonylContact O-C 3.58Å; N119-V122 PolarHBondContact OD1-N 2.88Å; N119-V122 VanDerWaalsContact OD1-N 3.13Å
123	S	98.6	Very high	98.4	Very high	39 Å²	39	56.3 Å²	56.3	27%	0.273	36%	0.36	S	S	.	.			trans	-138.9	172.4	177.7	82	0	0	0	0	110.9	P35 Y36	P35-S123 WeakPolarHBondContact CB-OG 3.34Å; P35-S123 WeakPolarHBondContact CG-OG 3.4Å; P35-S123 PolarHBondContact O-N 2.81Å; Y36-S123 WeakPolarHBondContact CA-O 3.42Å; Y36-S123 WeakPolarHBondContact CB-O 3.15Å
124	T	98.8	Very high	98.4	Very high	54 Å²	54	55.8 Å²	55.8	33%	0.331	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-96.6	150.6	179.7	58.4	0	0	0	0	111	L51 L118	L51-T124 HydrophobicContact CD2-CG2 4.16Å; L51-T124 HydrophobicContact CG-CG2 4.23Å; L51-T124 CarbonylContact O-C 3.5Å; L51-T124 VanDerWaalsContact O-CA 3.26Å; L51-T124 WeakPolarHBondContact O-CA 3.1Å; L118-T124 HydrophobicContact CD1-CG2 4.18Å; L118-T124 HydrophobicContact CD2-CG2 4.22Å
125	V	98.8	Very high	98.4	Very high	5 Å²	5	55.8 Å²	55.8	3%	0.03	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-96.6	140.8	163.8	63.6	0	0	0	0	110.2	Y36 L51 I52 V204 L209	Y36-V125 HydrophobicContact CD1-CB 3.96Å; Y36-V125 HydrophobicContact CD1-CG2 4.47Å; Y36-V125 HydrophobicContact CD2-CB 4.09Å; Y36-V125 HydrophobicContact CD2-CG1 4.26Å; Y36-V125 HydrophobicContact CG-CB 3.68Å; Y36-V125 HydrophobicContact CG-CG1 4.21Å; Y36-V125 HydrophobicContact CG-CG2 4.49Å; L51-V125 PolarHBondContact O-N 2.98Å; I52-V125 HydrophobicContact CG2-CG1 4.21Å; V125-V204 HydrophobicContact CG2-CG1 4.26Å; V125-V204 HydrophobicContact CG2-CG2 3.89Å; V125-L209 HydrophobicContact CG1-CB 3.92Å; V125-L209 HydrophobicContact CG1-CD2 4.27Å; V125-L209 HydrophobicContact CG1-CG 4.47Å; V125-L209 HydrophobicContact CG2-CB 4Å
126	S	98.6	Very high	98.4	Very high	72 Å²	72	53.3 Å²	53.3	50%	0.503	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-71.9	140.5	178.1	-64.6	0	0	0	0	111.4	Q208 L209	S126-Q208 WeakPolarHBondContact O-CA 3.5Å; S126-L209 PolarHBondContact O-N 2.62Å
127	L	98.8	Very high	98.4	Very high	40 Å²	40	56.4 Å²	56.4	21%	0.209	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-64.9	150.8	165.2	-67.2	178.7	0	0	0	110.4	I52 S129 V231 I238	I52-L127 HydrophobicContact CG2-CD2 4.18Å; L127-S129 PolarHBondContact O-N 3.46Å; L127-V231 HydrophobicContact CD2-CG1 4.36Å; L127-I238 HydrophobicContact CD1-CB 4.38Å; L127-I238 HydrophobicContact CD1-CD1 4.45Å; L127-I238 HydrophobicContact CD1-CG2 3.75Å; L127-I238 HydrophobicContact CD2-CD1 3.84Å
128	P	98.3	Very high	98.4	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-72.8	130.3	-174.6	29.8	-33.7	0	0	0	110.7	S130 Q208 L209 Q210 V231 C232 N235	P128-S130 VanDerWaalsContact C-N 3.29Å; P128-Q208 HydrophobicContact CB-CB 4.37Å; P128-L209 WeakPolarHBondContact CD-O 3.49Å; P128-L209 WeakPolarHBondContact CG-O 3.44Å; P128-Q210 HydrophobicContact CB-CG 4.48Å; P128-Q210 VanDerWaalsContact CB-NE2 3.31Å; P128-V231 HydrophobicContact CG-CB 4.29Å; P128-V231 HydrophobicContact CG-CG1 4.01Å; P128-C232 HydrophobicContact CB-CB 4.33Å; P128-C232 HydrophobicContact CG-CB 3.92Å; P128-N235 PolarHBondContact O-ND2 3.22Å
129	S	97	Very high	98.4	Very high	100 Å²	100	50.9 Å²	50.9	70%	0.699	34%	0.336	S	S	*	.	S	Bend	trans	-74.9	-23.4	174.8	50.8	0	0	0	0	112.7	L127 Q208	L127-S129 PolarHBondContact O-N 3.46Å; S129-Q208 PolarHBondContact OG-NE2 3.2Å
130	S	97.8	Very high	98.3	Very high	77 Å²	77	47.6 Å²	47.6	54%	0.538	32%	0.319	S	S	.	.	S	Bend	trans	-153.4	161.6	175.6	56.8	0	0	0	0	109.6	P128 Q210	P128-S130 VanDerWaalsContact C-N 3.29Å; S130-Q210 PolarHBondContact O-NE2 3.4Å; S130-Q210 PolarHBondContact O-OE1 2.92Å
131	C	98.3	Very high	98.4	Very high	53 Å²	53	43.5 Å²	43.5	36%	0.358	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-67.6	137.1	175.1	-60.4	0	0	0	0	111.6	C232	C131-C232 WeakPolarHBondContact CA-SG 3.19Å; C131-C232 HydrophobicContact CB-CB 3.92Å; C131-C232 WeakPolarHBondContact CB-SG 3.1Å; C131-C232 WeakPolarHBondContact SG-CB 3.18Å; C131-C232 CovalentContact SG-SG 2.03Å; C131-C232 PolarHBondContact SG-SG 2.03Å
132	V	98.1	Very high	98.4	Very high	24 Å²	24	38.5 Å²	38.5	15%	0.145	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-63.6	145.9	175.4	66.8	0	0	0	0	112.5	T136 V164 I183 C205 Q210	V132-T136 VanDerWaalsContact CG2-CB 3.41Å; V132-T136 HydrophobicContact CG2-CG2 3.63Å; V132-T136 WeakPolarHBondContact CG2-OG1 3.45Å; V132-V164 HydrophobicContact CG1-CG1 4.32Å; V132-V164 HydrophobicContact CG1-CG2 3.83Å; V132-V164 HydrophobicContact CG2-CG2 3.88Å; V132-I183 HydrophobicContact CG1-CD1 4.49Å; V132-C205 HydrophobicContact CG2-CB 4.06Å; V132-Q210 HydrophobicContact CB-CB 4.2Å; V132-Q210 HydrophobicContact CB-CG 3.82Å; V132-Q210 HydrophobicContact CG1-CB 3.93Å; V132-Q210 HydrophobicContact CG1-CG 4.13Å; V132-Q210 VanDerWaalsContact N-OE1 3.08Å
133	S	98.1	Very high	98.3	Very high	84 Å²	84	38.6 Å²	38.6	59%	0.587	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-91	151.6	176.3	-62.9	0	0	0	0	111.9	T136	S133-T136 VanDerWaalsContact O-CB 3.3Å; S133-T136 WeakPolarHBondContact O-CB 3.33Å; S133-T136 PolarHBondContact O-N 2.83Å; S133-T136 PolarHBondContact O-OG1 2.02Å
134	A	98.4	Very high	98.1	Very high	61 Å²	61	36.8 Å²	36.8	50%	0.504	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	146.3	172.3	0	0	0	0	0	111.5	T136	A134-T136 VanDerWaalsContact C-N 3.25Å; A134-T136 PolarHBondContact O-N 3.14Å
135	G	98.4	Very high	97.6	Very high	60 Å²	60	34.5 Å²	34.5	62%	0.619	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	-11.8	-174.9	0	0	0	0	0	114.7	S137 V164	G135-S137 PolarHBondContact O-N 2.82Å; G135-V164 PolarHBondContact N-O 3.14Å
136	T	98.6	Very high	97.1	Very high	32 Å²	32	34.6 Å²	34.6	20%	0.196	25%	0.245	C	C	.	.			trans	-65.7	128.7	175.7	-52.4	0	0	0	0	109.7	V132 S133 A134 P163 V164 C205	V132-T136 VanDerWaalsContact CG2-CB 3.41Å; V132-T136 HydrophobicContact CG2-CG2 3.63Å; V132-T136 WeakPolarHBondContact CG2-OG1 3.45Å; S133-T136 VanDerWaalsContact O-CB 3.3Å; S133-T136 WeakPolarHBondContact O-CB 3.33Å; S133-T136 PolarHBondContact O-N 2.83Å; S133-T136 PolarHBondContact O-OG1 2.02Å; A134-T136 VanDerWaalsContact C-N 3.25Å; A134-T136 PolarHBondContact O-N 3.14Å; T136-P163 CarbonylContact O-C 3.54Å; T136-P163 WeakPolarHBondContact O-CA 3.41Å; T136-V164 WeakPolarHBondContact O-CG2 3.37Å; T136-V164 PolarHBondContact O-N 3.32Å; T136-C205 HydrophobicContact CG2-CB 4.01Å
137	S	98.2	Very high	96.2	Very high	71 Å²	71	34.4 Å²	34.4	50%	0.497	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	135.6	172.8	-177.5	0	0	0	0	110.5	G135	G135-S137 PolarHBondContact O-N 2.82Å
138	C	98.6	Very high	95.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148.6	-178.6	-52.3	0	0	0	0	110	D161 A162 V164 V185 V203 V204 C205	C138-D161 WeakPolarHBondContact O-CA 3.5Å; C138-A162 PolarHBondContact N-O 2.85Å; C138-A162 PolarHBondContact O-N 3.3Å; C138-V164 VanDerWaalsContact SG-CG2 3.52Å; C138-V185 HydrophobicContact CB-CG1 4.43Å; C138-V203 HydrophobicContact CB-CG1 3.62Å; C138-V204 CarbonylContact C-O 3.47Å; C138-V204 VanDerWaalsContact CA-O 3.27Å; C138-V204 WeakPolarHBondContact CA-O 3.2Å; C138-V204 WeakPolarHBondContact CB-O 3.32Å; C138-C205 HydrophobicContact CB-CB 3.97Å; C138-C205 WeakPolarHBondContact CB-SG 3.42Å; C138-C205 WeakPolarHBondContact SG-CB 3.34Å; C138-C205 CovalentContact SG-SG 2.02Å; C138-C205 PolarHBondContact SG-SG 3.3Å
139	L	98.6	Very high	94.2	Very high	34 Å²	34	40.9 Å²	40.9	18%	0.178	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.8	171.7	-175	66.5	0	0	0	109.5	V34 C159 V203 V204	V34-L139 HydrophobicContact CG2-CD2 4.3Å; L139-C159 HydrophobicContact CD1-CB 3.91Å; L139-V203 WeakPolarHBondContact O-CA 3.31Å; L139-V204 PolarHBondContact N-O 2.77Å; L139-V204 PolarHBondContact O-N 3.46Å
140	I	98.4	Very high	93.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.1	169.2	-51.9	159.5	0	0	0	107.2	C159 V160 A162 V185 V203 V213 Y228	I140-C159 CarbonylContact O-C 3.53Å; I140-C159 WeakPolarHBondContact O-CA 3.27Å; I140-V160 HydrophobicContact CB-CG1 3.77Å; I140-V160 HydrophobicContact CD1-CG1 4.01Å; I140-V160 HydrophobicContact CG1-CG1 4.39Å; I140-V160 HydrophobicContact CG2-CG1 4.47Å; I140-V160 PolarHBondContact N-O 3.33Å; I140-V160 PolarHBondContact O-N 2.95Å; I140-A162 HydrophobicContact CD1-CB 3.75Å; I140-V185 HydrophobicContact CD1-CB 4.48Å; I140-V185 HydrophobicContact CD1-CG1 4.06Å; I140-V203 HydrophobicContact CG1-CB 4.46Å; I140-V203 HydrophobicContact CG1-CG1 4.03Å; I140-V203 HydrophobicContact CG1-CG2 4.03Å; I140-V213 HydrophobicContact CG2-CG2 4.13Å; I140-Y228 HydrophobicContact CD1-CE1 4.19Å; I140-Y228 VanDerWaalsContact CD1-OH 3.25Å; I140-Y228 WeakPolarHBondContact CD1-OH 3.49Å; I140-Y228 HydrophobicContact CG1-CE1 4.46Å; I140-Y228 HydrophobicContact CG2-CE1 4.37Å
141	S	98.3	Very high	93.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	146	-179	55.4	0	0	0	0	112.9	I37 R158 P202	I37-S141 WeakPolarHBondContact CD1-O 3.17Å; I37-S141 WeakPolarHBondContact CD1-OG 3.28Å; S141-R158 CarbonylContact C-O 3.41Å; S141-R158 WeakPolarHBondContact CA-O 3.44Å; S141-R158 WeakPolarHBondContact CB-O 3.49Å; S141-P202 WeakPolarHBondContact OG-CG 2.97Å
142	G	98	Very high	92.8	Very high	0 Å²	0	40 Å²	40	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	-176.5	179.6	0	0	0	0	0	114.1	L157 R158 D198	G142-L157 WeakPolarHBondContact O-CD1 3.12Å; G142-R158 PolarHBondContact N-O 2.86Å; G142-R158 WeakPolarHBondContact O-CB 3.33Å; G142-R158 PolarHBondContact O-N 3.37Å; G142-D198 VanDerWaalsContact C-OD1 3.26Å; G142-D198 WeakPolarHBondContact CA-OD1 3.44Å
143	W	97.9	Very high	92.5	Very high	2 Å²	2	45 Å²	45	1%	0.008	30%	0.297	C	S	.	.	S	Bend	trans	-115.7	24.7	177.5	-61	-92.5	0	0	0	111.5	I37 H45 E74 H75 I77 L157 D198	I37-W143 HydrophobicContact CD1-CH2 4.25Å; I37-W143 HydrophobicContact CD1-CZ3 3.92Å; I37-W143 HydrophobicContact CG1-CH2 4.02Å; I37-W143 HydrophobicContact CG1-CZ3 3.82Å; I37-W143 HydrophobicContact CG2-CH2 3.87Å; H45-W143 AromaticContact CE1-CE3 3.77Å; E74-W143 HydrophobicContact CB-CH2 4.21Å; E74-W143 HydrophobicContact CB-CZ2 3.89Å; H75-W143 PolarHBondContact O-NE1 3.48Å; I77-W143 HydrophobicContact CD1-CB 3.94Å; I77-W143 HydrophobicContact CD1-CG 3.97Å; I77-W143 HydrophobicContact CG1-CG 4.29Å; I77-W143 HydrophobicContact CG2-CD2 3.98Å; I77-W143 HydrophobicContact CG2-CG 4.21Å; I77-W143 HydrophobicContact CG2-CZ2 3.91Å; W143-L157 HydrophobicContact CD2-CD1 3.7Å; W143-L157 VanDerWaalsContact CE2-CD1 3.49Å; W143-L157 HydrophobicContact CE3-CD1 3.94Å; W143-L157 HydrophobicContact CG-CD1 4.37Å; W143-L157 HydrophobicContact CH2-CD1 3.89Å; W143-L157 HydrophobicContact CZ2-CB 4.04Å; W143-L157 HydrophobicContact CZ2-CD1 3.6Å; W143-L157 HydrophobicContact CZ2-CG 4.24Å; W143-L157 HydrophobicContact CZ3-CD1 4.03Å; W143-D198 PolarHBondContact N-OD1 2.87Å
144	G	93.4	Very high	92.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	27%	0.272	C	S	.	.			trans	-73.6	177.4	178.5	0	0	0	0	0	113.6	P154 Q196 D198	G144-P154 WeakPolarHBondContact O-CD 3.49Å; G144-Q196 CarbonylContact C-O 3.58Å; G144-Q196 WeakPolarHBondContact CA-O 3.42Å; G144-D198 VanDerWaalsContact CA-OD1 3.27Å; G144-D198 WeakPolarHBondContact CA-OD1 3.36Å; G144-D198 PolarHBondContact N-OD1 3.37Å
145	N	89.9	Confident	92.2	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.032	27%	0.271	C	S	.	.			trans	-58.5	137.1	-179.1	-177.6	23.8	0	0	0	111.3	L147 G150 T151 N152 Y153 C195 Q196	N145-L147 PolarHBondContact ND2-O 2.83Å; N145-L147 PolarHBondContact OD1-N 2.98Å; N145-G150 PolarHBondContact ND2-O 3.46Å; N145-T151 WeakPolarHBondContact OD1-CA 3.44Å; N145-N152 PolarHBondContact OD1-N 3.4Å; N145-N152 PolarHBondContact OD1-O 3.18Å; N145-Y153 HydrophobicContact CB-CD1 4.3Å; N145-Y153 HydrophobicContact CB-CE1 3.89Å; N145-C195 HydrophobicContact CB-CB 4.22Å; N145-C195 WeakPolarHBondContact O-CB 3.04Å; N145-Q196 PolarHBondContact N-O 3.46Å
146	T	86.9	Confident	92.2	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.043	25%	0.247	C	C	.	.			trans	-104.4	-1.3	-171.3	59.1	0	0	0	0	113	K22 N152 P154 R158	K22-T146 HydrophobicContact CB-CG2 3.65Å; K22-T146 HydrophobicContact CG-CG2 4.25Å; T146-N152 PolarHBondContact N-O 2.7Å; T146-N152 PolarHBondContact OG1-ND2 2.81Å; T146-N152 PolarHBondContact OG1-O 3.28Å; T146-P154 HydrophobicContact CG2-CB 4.09Å; T146-P154 HydrophobicContact CG2-CG 3.6Å; T146-R158 HydrophobicContact CG2-CG 4.38Å
147	L	79.6	Confident	92.2	Very high	69 Å²	69	39.6 Å²	39.6	36%	0.361	24%	0.239	S	C	.	.			trans	-111.8	138	179.8	-56.1	174.9	0	0	0	110.8	N145 S149 N152	N145-L147 PolarHBondContact ND2-O 2.83Å; N145-L147 PolarHBondContact OD1-N 2.98Å; L147-S149 VanDerWaalsContact CB-O 3.29Å; L147-S149 WeakPolarHBondContact CB-O 3.35Å; L147-S149 PolarHBondContact O-N 2.93Å; L147-N152 HydrophobicContact CD1-CB 3.6Å; L147-N152 HydrophobicContact CG-CB 3.75Å
148	S	77.3	Confident	92.2	Very high	76 Å²	76	37.4 Å²	37.4	53%	0.531	22%	0.22	S	C	.	.	S	Bend	trans	-70.2	-19.7	168.9	52.6	0	0	0	0	113	C219	S148-C219 WeakPolarHBondContact CB-O 3.3Å
149	S	79.2	Confident	92.1	Very high	101 Å²	101	37.5 Å²	37.5	71%	0.706	22%	0.22	S	C	*	.	S	Bend	trans	-140.6	130.6	175.3	-170.7	0	0	0	0	110.1	L147	L147-S149 VanDerWaalsContact CB-O 3.29Å; L147-S149 WeakPolarHBondContact CB-O 3.35Å; L147-S149 PolarHBondContact O-N 2.93Å
150	G	86.1	Confident	92	Very high	52 Å²	52	36 Å²	36	54%	0.536	21%	0.213	S	C	.	.	S	Bend	trans	84.2	-160.7	-172.2	0	0	0	0	0	112.7	N145	N145-G150 PolarHBondContact ND2-O 3.46Å
151	T	87.6	Confident	91.9	Very high	97 Å²	97	39.4 Å²	39.4	60%	0.595	23%	0.231	S	C	*	.			trans	-139.3	124.4	-171.9	-55.1	0	0	0	0	110.8	N145 Y153	N145-T151 WeakPolarHBondContact OD1-CA 3.44Å; T151-Y153 HydrophobicContact CG2-CD2 3.54Å; T151-Y153 HydrophobicContact CG2-CE2 3.12Å
152	N	89.5	Confident	91.9	Very high	62 Å²	62	39.5 Å²	39.5	33%	0.332	23%	0.232	S	C	.	.			trans	-147.8	100.5	169.8	-179.2	42.7	0	0	0	109.1	N145 T146 L147	N145-N152 PolarHBondContact OD1-N 3.4Å; N145-N152 PolarHBondContact OD1-O 3.18Å; T146-N152 PolarHBondContact N-O 2.7Å; T146-N152 PolarHBondContact OG1-ND2 2.81Å; T146-N152 PolarHBondContact OG1-O 3.28Å; L147-N152 HydrophobicContact CD1-CB 3.6Å; L147-N152 HydrophobicContact CG-CB 3.75Å
153	Y	92.3	Very high	91.9	Very high	128 Å²	128	41.2 Å²	41.2	50%	0.502	24%	0.243	S	C	.	.			trans	-86.5	122.1	175.3	-65.7	-71.5	0	0	0	109.3	N145 T151 Q196	N145-Y153 HydrophobicContact CB-CD1 4.3Å; N145-Y153 HydrophobicContact CB-CE1 3.89Å; T151-Y153 HydrophobicContact CG2-CD2 3.54Å; T151-Y153 HydrophobicContact CG2-CE2 3.12Å; Y153-Q196 WeakPolarHBondContact CE1-O 3.41Å
154	P	93.6	Very high	91.9	Very high	9 Å²	9	41.5 Å²	41.5	6%	0.058	25%	0.245	C	C	.	.			trans	-81.9	144.5	-179.4	34.9	-31.4	0	0	0	109.8	G144 T146 R158	G144-P154 WeakPolarHBondContact O-CD 3.49Å; T146-P154 HydrophobicContact CG2-CB 4.09Å; T146-P154 HydrophobicContact CG2-CG 3.6Å; P154-R158 HydrophobicContact CB-CG 3.99Å; P154-R158 HydrophobicContact CG-CG 3.62Å
155	D	96.3	Very high	92.2	Very high	90 Å²	90	42.8 Å²	42.8	48%	0.481	25%	0.252	S	S	.	.	S	Bend	trans	-75.2	-34.8	170.2	-59.3	-39	0	0	0	111	N76 I77 A78	N76-D155 CarbonylContact C-O 3.53Å; N76-D155 VanDerWaalsContact CA-O 3.27Å; N76-D155 WeakPolarHBondContact CA-O 3.23Å; N76-D155 WeakPolarHBondContact OD1-CB 3.46Å; I77-D155 WeakPolarHBondContact CG1-O 3.25Å; I77-D155 PolarHBondContact N-O 2.75Å; A78-D155 HydrophobicContact CB-CB 3.93Å
156	T	97.8	Very high	92.6	Very high	20 Å²	20	44.6 Å²	44.6	12%	0.123	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-88.8	146.5	-179.5	54.4	0	0	0	0	112.9	E28 H75 N76 R158	E28-T156 VanDerWaalsContact CD-OG1 3.29Å; E28-T156 PolarHBondContact OE2-OG1 3.47Å; H75-T156 CarbonylContact O-C 3.53Å; H75-T156 WeakPolarHBondContact O-CA 3.12Å; N76-T156 HydrophobicContact CB-CG2 4.21Å; T156-R158 WeakPolarHBondContact O-CG 3.45Å; T156-R158 PolarHBondContact O-N 3.12Å; T156-R158 PolarHBondContact O-NE 3.37Å; T156-R158 PolarHBondContact OG1-NH2 3.44Å
157	L	98.3	Very high	93.1	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	28%	0.281	C	S	.	.			trans	-62.2	134.6	179.5	-176.7	68.2	0	0	0	111.4	C29 V34 I37 H75 G142 W143	C29-L157 HydrophobicContact CB-CB 4.44Å; C29-L157 HydrophobicContact CB-CD2 4.06Å; C29-L157 HydrophobicContact CB-CG 4.18Å; C29-L157 PolarHBondContact N-O 3.36Å; C29-L157 VanDerWaalsContact SG-CG 3.56Å; V34-L157 HydrophobicContact CB-CD2 3.9Å; V34-L157 HydrophobicContact CG2-CD2 3.96Å; I37-L157 HydrophobicContact CD1-CD1 3.47Å; I37-L157 VanDerWaalsContact CD1-CD1 3.47Å; I37-L157 HydrophobicContact CD1-CD2 4.36Å; I37-L157 HydrophobicContact CG2-CD1 4.5Å; I37-L157 HydrophobicContact CG2-CD2 3.89Å; H75-L157 PolarHBondContact O-N 3.16Å; G142-L157 WeakPolarHBondContact O-CD1 3.12Å; W143-L157 HydrophobicContact CD2-CD1 3.7Å; W143-L157 VanDerWaalsContact CE2-CD1 3.49Å; W143-L157 HydrophobicContact CE3-CD1 3.94Å; W143-L157 HydrophobicContact CG-CD1 4.37Å; W143-L157 HydrophobicContact CH2-CD1 3.89Å; W143-L157 HydrophobicContact CZ2-CB 4.04Å; W143-L157 HydrophobicContact CZ2-CD1 3.6Å; W143-L157 HydrophobicContact CZ2-CG 4.24Å; W143-L157 HydrophobicContact CZ3-CD1 4.03Å
158	R	97.8	Very high	94	Very high	26 Å²	26	48.8 Å²	48.8	10%	0.098	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147.3	-177.9	-63.2	-49.9	174.1	161.3	-13.2	111.8	K22 I23 Y27 E28 C29 S141 G142 T146 P154 T156	K22-R158 HydrophobicContact CB-CG 4.24Å; K22-R158 WeakPolarHBondContact O-CB 3.4Å; K22-R158 VanDerWaalsContact O-CD 3.25Å; K22-R158 WeakPolarHBondContact O-CD 3.2Å; K22-R158 WeakPolarHBondContact O-CG 3.31Å; I23-R158 HydrophobicContact CB-CB 4Å; I23-R158 HydrophobicContact CD1-CB 4.45Å; I23-R158 HydrophobicContact CG1-CB 3.28Å; I23-R158 HydrophobicContact CG1-CG 4.46Å; Y27-R158 CarbonylContact O-C 3.54Å; Y27-R158 WeakPolarHBondContact O-CA 3.44Å; E28-R158 IonicContact OE2-CZ 3.33Å; E28-R158 IonicContact OE2-NH1 2.89Å; E28-R158 IonicContact OE2-NH2 3.03Å; E28-R158 PolarHBondContact OE2-NH2 2.8Å; C29-R158 PolarHBondContact SG-O 2.81Å; S141-R158 CarbonylContact C-O 3.41Å; S141-R158 WeakPolarHBondContact CA-O 3.44Å; S141-R158 WeakPolarHBondContact CB-O 3.49Å; G142-R158 PolarHBondContact N-O 2.86Å; G142-R158 WeakPolarHBondContact O-CB 3.33Å; G142-R158 PolarHBondContact O-N 3.37Å; T146-R158 HydrophobicContact CG2-CG 4.38Å; P154-R158 HydrophobicContact CB-CG 3.99Å; P154-R158 HydrophobicContact CG-CG 3.62Å; T156-R158 WeakPolarHBondContact O-CG 3.45Å; T156-R158 PolarHBondContact O-N 3.12Å; T156-R158 PolarHBondContact O-NE 3.37Å; T156-R158 PolarHBondContact OG1-NH2 3.44Å
159	C	97.8	Very high	95	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.014	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.2	-174.4	-83.8	0	0	0	0	110.4	G26 Y27 C29 L139 I140	G26-C159 CarbonylContact C-O 3.47Å; G26-C159 WeakPolarHBondContact CA-O 3.41Å; Y27-C159 HydrophobicContact CD2-CB 3.94Å; Y27-C159 HydrophobicContact CE1-CB 4.2Å; Y27-C159 HydrophobicContact CE2-CB 3.46Å; Y27-C159 VanDerWaalsContact CE2-CB 3.46Å; Y27-C159 HydrophobicContact CG-CB 4.48Å; Y27-C159 PolarHBondContact N-O 3.43Å; Y27-C159 PolarHBondContact O-N 3.46Å; C29-C159 HydrophobicContact CB-CB 4.14Å; C29-C159 WeakPolarHBondContact CB-SG 3.25Å; C29-C159 VanDerWaalsContact SG-CA 3.55Å; C29-C159 WeakPolarHBondContact SG-CB 3.42Å; C29-C159 PolarHBondContact SG-N 3.45Å; C29-C159 CovalentContact SG-SG 2.02Å; C29-C159 PolarHBondContact SG-SG 3.14Å; L139-C159 HydrophobicContact CD1-CB 3.91Å; I140-C159 CarbonylContact O-C 3.53Å; I140-C159 WeakPolarHBondContact O-CA 3.27Å
160	V	95.9	Very high	95.9	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	133.3	165.9	65.9	0	0	0	0	110	I23 I140 K192	I23-V160 HydrophobicContact CB-CB 4.48Å; I23-V160 HydrophobicContact CG2-CB 3.83Å; I23-V160 HydrophobicContact CG2-CG1 3.61Å; I140-V160 HydrophobicContact CB-CG1 3.77Å; I140-V160 HydrophobicContact CD1-CG1 4.01Å; I140-V160 HydrophobicContact CG1-CG1 4.39Å; I140-V160 HydrophobicContact CG2-CG1 4.47Å; I140-V160 PolarHBondContact N-O 3.33Å; I140-V160 PolarHBondContact O-N 2.95Å; V160-K192 HydrophobicContact CG2-CB 4.3Å; V160-K192 HydrophobicContact CG2-CD 4.28Å
161	D	97.1	Very high	96.5	Very high	72 Å²	72	45.3 Å²	45.3	39%	0.385	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.4	170.3	-65.1	-78.5	0	0	0	109.2	Y27 C138	Y27-D161 WeakPolarHBondContact CE1-OD2 3.27Å; Y27-D161 PolarHBondContact OH-OD2 3.16Å; C138-D161 WeakPolarHBondContact O-CA 3.5Å
162	A	97.1	Very high	97	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.017	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	141.9	-175	0	0	0	0	0	111.6	C138 I140 V185 F187	C138-A162 PolarHBondContact N-O 2.85Å; C138-A162 PolarHBondContact O-N 3.3Å; I140-A162 HydrophobicContact CD1-CB 3.75Å; A162-V185 HydrophobicContact CB-CG1 3.83Å; A162-F187 HydrophobicContact CB-CE2 3.93Å
163	P	98.3	Very high	97.3	Very high	36 Å²	36	44 Å²	44	23%	0.234	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	146.4	177.4	32.7	-33.8	0	0	0	111.6	T136 L165 V185 G186 F187	T136-P163 CarbonylContact O-C 3.54Å; T136-P163 WeakPolarHBondContact O-CA 3.41Å; P163-L165 PolarHBondContact O-N 2.91Å; P163-V185 WeakPolarHBondContact O-CA 3.49Å; P163-V185 WeakPolarHBondContact O-CG1 3.29Å; P163-G186 WeakPolarHBondContact CG-O 3.14Å; P163-G186 PolarHBondContact O-N 3.5Å; P163-F187 HydrophobicContact CG-CE1 4.23Å; P163-F187 HydrophobicContact CG-CZ 4.48Å
164	V	98.7	Very high	97.6	Very high	8 Å²	8	37.9 Å²	37.9	5%	0.048	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-66.4	127.8	166	-179.6	0	0	0	0	109	V132 G135 T136 C138 V185	V132-V164 HydrophobicContact CG1-CG1 4.32Å; V132-V164 HydrophobicContact CG1-CG2 3.83Å; V132-V164 HydrophobicContact CG2-CG2 3.88Å; G135-V164 PolarHBondContact N-O 3.14Å; T136-V164 WeakPolarHBondContact O-CG2 3.37Å; T136-V164 PolarHBondContact O-N 3.32Å; C138-V164 VanDerWaalsContact SG-CG2 3.52Å; V164-V185 HydrophobicContact CG2-CG2 4.17Å
165	L	98.6	Very high	97.8	Very high	28 Å²	28	42.1 Å²	42.1	15%	0.147	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-84.2	158.3	176.6	-61.5	-178.8	0	0	0	111.4	P163 C184 G186 L188 P225	P163-L165 PolarHBondContact O-N 2.91Å; L165-C184 HydrophobicContact CB-CB 4.06Å; L165-C184 HydrophobicContact CD1-CB 4.05Å; L165-C184 HydrophobicContact CG-CB 4.42Å; L165-C184 PolarHBondContact N-O 3.37Å; L165-G186 WeakPolarHBondContact CD2-O 3.33Å; L165-L188 HydrophobicContact CD1-CD2 3.79Å; L165-L188 HydrophobicContact CD1-CG 4.12Å; L165-P225 HydrophobicContact CD1-CB 3.53Å; L165-P225 HydrophobicContact CD1-CG 3.63Å
166	S	98.4	Very high	97.9	Very high	44 Å²	44	42.1 Å²	42.1	31%	0.308	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-65	148.4	172.6	81.3	0	0	0	0	111	T168 S169 C170	S166-T168 PolarHBondContact O-N 3.04Å; S166-S169 WeakPolarHBondContact O-CB 3.05Å; S166-S169 PolarHBondContact O-N 2.83Å; S166-S169 VanDerWaalsContact O-N 3.09Å; S166-S169 WeakPolarHBondContact OG-CB 3.33Å; S166-S169 PolarHBondContact OG-N 2.9Å; S166-S169 PolarHBondContact OG-OG 3.14Å; S166-C170 PolarHBondContact O-N 3.17Å
167	D	97.8	Very high	97.9	Very high	73 Å²	73	44.4 Å²	44.4	39%	0.39	26%	0.264	S	S	.	.	H	α-helix	trans	-56.5	-38.2	174.8	173.4	86.5	0	0	0	111.3	C170 R171	D167-C170 PolarHBondContact O-N 2.89Å; D167-R171 VanDerWaalsContact CG-NH2 3.33Å; D167-R171 WeakPolarHBondContact O-CB 3.42Å; D167-R171 WeakPolarHBondContact O-CG 3.34Å; D167-R171 PolarHBondContact O-N 3.16Å; D167-R171 IonicContact OD1-CZ 2.7Å; D167-R171 IonicContact OD1-NE 3.49Å; D167-R171 PolarHBondContact OD1-NE 3.11Å; D167-R171 VanDerWaalsContact OD1-NE 3.11Å; D167-R171 IonicContact OD1-NH2 3.86Å; D167-R171 PolarHBondContact OD1-NH2 3.26Å; D167-R171 IonicContact OD2-CZ 3.4Å; D167-R171 IonicContact OD2-NE 3.94Å; D167-R171 PolarHBondContact OD2-NE 3.23Å; D167-R171 IonicContact OD2-NH1 3.55Å; D167-R171 IonicContact OD2-NH2 3.28Å; D167-R171 PolarHBondContact OD2-NH2 3.24Å
168	T	98.3	Very high	97.9	Very high	91 Å²	91	45.1 Å²	45.1	56%	0.558	27%	0.268	S	S	*	.	H	α-helix	trans	-60.6	-48.2	173.8	-54	0	0	0	0	112.1	S166 C170 R171 N172	S166-T168 PolarHBondContact O-N 3.04Å; T168-C170 VanDerWaalsContact C-N 3.33Å; T168-C170 PolarHBondContact O-N 2.92Å; T168-R171 PolarHBondContact O-N 2.89Å; T168-N172 WeakPolarHBondContact O-CB 3.37Å; T168-N172 PolarHBondContact O-N 2.91Å; T168-N172 PolarHBondContact O-ND2 3.02Å; T168-N172 PolarHBondContact O-OD1 3.27Å
169	S	98.2	Very high	97.9	Very high	36 Å²	36	45.5 Å²	45.5	25%	0.252	27%	0.273	S	S	.	.	H	α-helix	trans	-60.5	-44.5	176.6	-59.7	0	0	0	0	111.4	S166 N172 S173	S166-S169 WeakPolarHBondContact O-CB 3.05Å; S166-S169 PolarHBondContact O-N 2.83Å; S166-S169 VanDerWaalsContact O-N 3.09Å; S166-S169 WeakPolarHBondContact OG-CB 3.33Å; S166-S169 PolarHBondContact OG-N 2.9Å; S166-S169 PolarHBondContact OG-OG 3.14Å; S169-N172 PolarHBondContact O-N 2.95Å; S169-S173 PolarHBondContact O-N 2.77Å; S169-S173 PolarHBondContact O-OG 3.22Å
170	C	98.1	Very high	98	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.02	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-48	179.2	-167.6	0	0	0	0	111.7	S166 D167 T168 N172 S173 Y174 C184	S166-C170 PolarHBondContact O-N 3.17Å; D167-C170 PolarHBondContact O-N 2.89Å; T168-C170 VanDerWaalsContact C-N 3.33Å; T168-C170 PolarHBondContact O-N 2.92Å; C170-N172 PolarHBondContact O-N 3.5Å; C170-S173 WeakPolarHBondContact O-CB 3.2Å; C170-S173 PolarHBondContact O-N 3.18Å; C170-Y174 PolarHBondContact O-N 2.93Å; C170-Y174 VanDerWaalsContact O-N 3.15Å; C170-C184 WeakPolarHBondContact CA-SG 3.39Å; C170-C184 HydrophobicContact CB-CB 3.6Å; C170-C184 WeakPolarHBondContact CB-SG 3.39Å; C170-C184 WeakPolarHBondContact SG-CB 3.42Å; C170-C184 PolarHBondContact SG-N 2.91Å; C170-C184 VanDerWaalsContact SG-N 3.45Å; C170-C184 CovalentContact SG-SG 2.03Å; C170-C184 PolarHBondContact SG-SG 2.87Å
171	R	98.3	Very high	98.1	Very high	117 Å²	117	50.4 Å²	50.4	44%	0.442	31%	0.305	S	S	.	.	H	α-helix	trans	-66.9	-34	177	-71.6	179.6	-168.7	178.6	12.9	113.3	D167 T168 S173 Y174 P175 I178	D167-R171 VanDerWaalsContact CG-NH2 3.33Å; D167-R171 WeakPolarHBondContact O-CB 3.42Å; D167-R171 WeakPolarHBondContact O-CG 3.34Å; D167-R171 PolarHBondContact O-N 3.16Å; D167-R171 IonicContact OD1-CZ 2.7Å; D167-R171 IonicContact OD1-NE 3.49Å; D167-R171 PolarHBondContact OD1-NE 3.11Å; D167-R171 VanDerWaalsContact OD1-NE 3.11Å; D167-R171 IonicContact OD1-NH2 3.86Å; D167-R171 PolarHBondContact OD1-NH2 3.26Å; D167-R171 IonicContact OD2-CZ 3.4Å; D167-R171 IonicContact OD2-NE 3.94Å; D167-R171 PolarHBondContact OD2-NE 3.23Å; D167-R171 IonicContact OD2-NH1 3.55Å; D167-R171 IonicContact OD2-NH2 3.28Å; D167-R171 PolarHBondContact OD2-NH2 3.24Å; T168-R171 PolarHBondContact O-N 2.89Å; R171-S173 VanDerWaalsContact C-N 3.32Å; R171-Y174 CarbonylContact O-C 3.16Å; R171-Y174 PolarHBondContact O-N 3.35Å; R171-P175 WeakPolarHBondContact O-CA 3.12Å; R171-P175 VanDerWaalsContact O-N 3.17Å; R171-I178 HydrophobicContact CG-CB 3.99Å; R171-I178 HydrophobicContact CG-CG2 4.21Å
172	N	98.1	Very high	98.2	Very high	121 Å²	121	47.3 Å²	47.3	65%	0.647	29%	0.289	S	S	*	.	H	α-helix	trans	-67.8	-34.9	175.3	-71.8	-12	0	0	0	111.7	T168 S169 C170 Y174	T168-N172 WeakPolarHBondContact O-CB 3.37Å; T168-N172 PolarHBondContact O-N 2.91Å; T168-N172 PolarHBondContact O-ND2 3.02Å; T168-N172 PolarHBondContact O-OD1 3.27Å; S169-N172 PolarHBondContact O-N 2.95Å; C170-N172 PolarHBondContact O-N 3.5Å; N172-Y174 VanDerWaalsContact C-N 3.32Å
173	S	97.8	Very high	98.2	Very high	10 Å²	10	48 Å²	48	7%	0.07	29%	0.292	C	S	.	.	H	α-helix	trans	-68.9	-28.9	173.6	-78.7	0	0	0	0	113.4	S169 C170 R171 N223 R224 P225	S169-S173 PolarHBondContact O-N 2.77Å; S169-S173 PolarHBondContact O-OG 3.22Å; C170-S173 WeakPolarHBondContact O-CB 3.2Å; C170-S173 PolarHBondContact O-N 3.18Å; R171-S173 VanDerWaalsContact C-N 3.32Å; S173-N223 WeakPolarHBondContact CB-O 3.48Å; S173-N223 PolarHBondContact OG-O 3.26Å; S173-R224 PolarHBondContact O-NH1 2.93Å; S173-P225 WeakPolarHBondContact OG-CD 3.16Å
174	Y	97.6	Very high	98.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-139.1	73.7	-176.7	-56.7	-78.1	0	0	0	112.1	C170 R171 N172 G176 E177 I178 W215 Y217 R224 P225 V227	C170-Y174 PolarHBondContact O-N 2.93Å; C170-Y174 VanDerWaalsContact O-N 3.15Å; R171-Y174 CarbonylContact O-C 3.16Å; R171-Y174 PolarHBondContact O-N 3.35Å; N172-Y174 VanDerWaalsContact C-N 3.32Å; Y174-G176 PolarHBondContact O-N 3.5Å; Y174-G176 VanDerWaalsContact O-N 3.15Å; Y174-E177 PolarHBondContact O-N 2.93Å; Y174-I178 HydrophobicContact CD2-CD1 3.87Å; Y174-I178 HydrophobicContact CD2-CG1 4.39Å; Y174-I178 HydrophobicContact CG-CD1 4.13Å; Y174-W215 AromaticContact CD1-CH2 3.78Å; Y174-W215 HydrophobicContact CD1-CH2 3.78Å; Y174-W215 AromaticContact CD1-CZ3 3.67Å; Y174-W215 HydrophobicContact CD1-CZ3 3.67Å; Y174-W215 HydrophobicContact CD2-CH2 4.42Å; Y174-W215 HydrophobicContact CE1-CH2 4.22Å; Y174-W215 AromaticContact CE1-CZ3 3.69Å; Y174-W215 HydrophobicContact CE1-CZ3 3.69Å; Y174-W215 AromaticContact CG-CH2 3.89Å; Y174-W215 HydrophobicContact CG-CH2 3.89Å; Y174-W215 HydrophobicContact CG-CZ3 4.21Å; Y174-Y217 HydrophobicContact CD1-CD2 4Å; Y174-Y217 HydrophobicContact CD1-CE2 4.1Å; Y174-Y217 AromaticContact CE1-CD2 3.74Å; Y174-Y217 HydrophobicContact CE1-CD2 3.74Å; Y174-Y217 HydrophobicContact CE1-CE2 4.29Å; Y174-Y217 AromaticContact CE1-CG 3.92Å; Y174-Y217 HydrophobicContact CE1-CG 3.92Å; Y174-R224 WeakPolarHBondContact OH-CA 3.33Å; Y174-P225 HydrophobicContact CE2-CG 4.07Å; Y174-P225 VanDerWaalsContact CE2-O 3.27Å; Y174-P225 WeakPolarHBondContact CE2-O 3.29Å; Y174-P225 PolarHBondContact OH-O 2.99Å; Y174-V227 HydrophobicContact CD2-CG2 3.94Å; Y174-V227 HydrophobicContact CE2-CG2 3.54Å
175	P	97.7	Very high	98.2	Very high	98 Å²	98	45.9 Å²	45.9	64%	0.636	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	116.7	-173.5	-24.7	35.8	0	0	0	113.2	R171	R171-P175 WeakPolarHBondContact O-CA 3.12Å; R171-P175 VanDerWaalsContact O-N 3.17Å
176	G	97.4	Very high	98.1	Very high	89 Å²	89	44.6 Å²	44.6	92%	0.918	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	0.2	177.1	0	0	0	0	0	115.4	Y174	Y174-G176 PolarHBondContact O-N 3.5Å; Y174-G176 VanDerWaalsContact O-N 3.15Å
177	E	98.1	Very high	98	Very high	69 Å²	69	44.8 Å²	44.8	32%	0.322	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-23.2	-174.6	-58.3	179.9	-110.8	0	0	113.1	Y174 W215 Y217	Y174-E177 PolarHBondContact O-N 2.93Å; E177-W215 HydrophobicContact CB-CH2 4.11Å; E177-W215 HydrophobicContact CB-CZ2 4.5Å; E177-Y217 VanDerWaalsContact CD-OH 3.23Å; E177-Y217 PolarHBondContact OE1-OH 3.04Å; E177-Y217 PolarHBondContact OE2-OH 3.21Å
178	I	98.6	Very high	97.9	Very high	19 Å²	19	43.8 Å²	43.8	10%	0.097	26%	0.262	C	S	.	.			trans	-82.9	120.3	179.7	-55.3	-55.1	0	0	0	110.9	R171 Y174 M182 W215 V227	R171-I178 HydrophobicContact CG-CB 3.99Å; R171-I178 HydrophobicContact CG-CG2 4.21Å; Y174-I178 HydrophobicContact CD2-CD1 3.87Å; Y174-I178 HydrophobicContact CD2-CG1 4.39Å; Y174-I178 HydrophobicContact CG-CD1 4.13Å; I178-M182 HydrophobicContact CD1-SD 4.38Å; I178-M182 HydrophobicContact CG2-CB 4.08Å; I178-W215 HydrophobicContact CD1-CH2 4.05Å; I178-W215 HydrophobicContact CD1-CZ2 3.82Å; I178-V227 HydrophobicContact CD1-CG1 3.97Å; I178-V227 HydrophobicContact CD1-CG2 3.95Å
179	T	98.6	Very high	97.7	Very high	35 Å²	35	46.2 Å²	46.2	22%	0.215	27%	0.267	C	S	.	.			trans	-92.7	172.9	173.2	77.3	0	0	0	0	111.7	D104 N181 M182	D104-T179 HydrophobicContact CB-CG2 4.02Å; D104-T179 WeakPolarHBondContact OD1-CB 3.33Å; D104-T179 PolarHBondContact OD1-OG1 2.97Å; T179-N181 PolarHBondContact O-N 3.48Å; T179-N181 VanDerWaalsContact O-N 3.15Å; T179-N181 PolarHBondContact OG1-N 3.41Å; T179-M182 HydrophobicContact CG2-CE 4.04Å; T179-M182 HydrophobicContact CG2-SD 4.42Å; T179-M182 PolarHBondContact O-N 2.84Å
180	S	98.4	Very high	97.4	Very high	81 Å²	81	44.9 Å²	44.9	57%	0.566	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-11.8	173.3	55.3	0	0	0	0	114.1	N233	S180-N233 PolarHBondContact O-ND2 3.15Å
181	N	98.8	Very high	96.8	Very high	26 Å²	26	47 Å²	47	14%	0.139	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	5.7	179.5	-62.7	-37.6	0	0	0	113.1	D104 N105 T179 K230 N233 Y234	D104-N181 WeakPolarHBondContact OD1-CB 3.26Å; D104-N181 PolarHBondContact OD1-ND2 3.47Å; D104-N181 PolarHBondContact OD2-ND2 2.73Å; N105-N181 PolarHBondContact OD1-ND2 2.56Å; N105-N181 VanDerWaalsContact OD1-ND2 3.16Å; T179-N181 PolarHBondContact O-N 3.48Å; T179-N181 VanDerWaalsContact O-N 3.15Å; T179-N181 PolarHBondContact OG1-N 3.41Å; N181-K230 VanDerWaalsContact O-CB 3.28Å; N181-K230 WeakPolarHBondContact O-CB 3.03Å; N181-K230 PolarHBondContact O-N 3.43Å; N181-N233 PolarHBondContact OD1-ND2 3.31Å; N181-Y234 HydrophobicContact CB-CE2 4.4Å; N181-Y234 WeakPolarHBondContact CB-OH 3.05Å
182	M	98.8	Very high	96.2	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.039	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150.4	-178.5	-65.2	174.6	-172.5	0	0	110.4	T102 L103 D104 I178 T179 W215 V227 Y228	T102-M182 WeakPolarHBondContact O-CE 3.42Å; L103-M182 WeakPolarHBondContact O-CE 3.19Å; D104-M182 HydrophobicContact CB-CE 4.35Å; I178-M182 HydrophobicContact CD1-SD 4.38Å; I178-M182 HydrophobicContact CG2-CB 4.08Å; T179-M182 HydrophobicContact CG2-CE 4.04Å; T179-M182 HydrophobicContact CG2-SD 4.42Å; T179-M182 PolarHBondContact O-N 2.84Å; M182-W215 HydrophobicContact SD-CZ2 4.03Å; M182-V227 HydrophobicContact CB-CG1 3.82Å; M182-V227 HydrophobicContact CG-CG1 4.05Å; M182-V227 HydrophobicContact SD-CG1 3.97Å; M182-Y228 CarbonylContact C-O 3.31Å; M182-Y228 WeakPolarHBondContact CA-O 3.37Å
183	I	98.6	Very high	95.5	Very high	15 Å²	15	39.7 Å²	39.7	8%	0.077	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147.1	170.4	54.6	177.7	0	0	0	108.9	V132 V185 Q210 Y228 K230	V132-I183 HydrophobicContact CG1-CD1 4.49Å; I183-V185 HydrophobicContact CD1-CG2 4.36Å; I183-V185 HydrophobicContact CG1-CG2 4.48Å; I183-Q210 WeakPolarHBondContact CD1-O 3.34Å; I183-Y228 PolarHBondContact N-O 2.72Å; I183-Y228 PolarHBondContact O-N 3.4Å; I183-K230 HydrophobicContact CG1-CB 4.48Å; I183-K230 HydrophobicContact CG2-CB 3.88Å; I183-K230 HydrophobicContact CG2-CD 3.56Å; I183-K230 HydrophobicContact CG2-CG 3.54Å
184	C	98.7	Very high	94.7	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.6	170	-68.5	0	0	0	0	110.2	L165 C170 P225 G226	L165-C184 HydrophobicContact CB-CB 4.06Å; L165-C184 HydrophobicContact CD1-CB 4.05Å; L165-C184 HydrophobicContact CG-CB 4.42Å; L165-C184 PolarHBondContact N-O 3.37Å; C170-C184 WeakPolarHBondContact CA-SG 3.39Å; C170-C184 HydrophobicContact CB-CB 3.6Å; C170-C184 WeakPolarHBondContact CB-SG 3.39Å; C170-C184 WeakPolarHBondContact SG-CB 3.42Å; C170-C184 PolarHBondContact SG-N 2.91Å; C170-C184 VanDerWaalsContact SG-N 3.45Å; C170-C184 CovalentContact SG-SG 2.03Å; C170-C184 PolarHBondContact SG-SG 2.87Å; C184-P225 HydrophobicContact CB-CB 4.42Å; C184-P225 HydrophobicContact CB-CG 4.1Å; C184-G226 VanDerWaalsContact CA-O 3.29Å; C184-G226 WeakPolarHBondContact CA-O 3.41Å
185	V	98.2	Very high	94.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	124.9	177.2	-171.2	0	0	0	0	107.9	C138 I140 A162 P163 V164 I183 V203 G226 Y228	C138-V185 HydrophobicContact CB-CG1 4.43Å; I140-V185 HydrophobicContact CD1-CB 4.48Å; I140-V185 HydrophobicContact CD1-CG1 4.06Å; A162-V185 HydrophobicContact CB-CG1 3.83Å; P163-V185 WeakPolarHBondContact O-CA 3.49Å; P163-V185 WeakPolarHBondContact O-CG1 3.29Å; V164-V185 HydrophobicContact CG2-CG2 4.17Å; I183-V185 HydrophobicContact CD1-CG2 4.36Å; I183-V185 HydrophobicContact CG1-CG2 4.48Å; V185-V203 HydrophobicContact CG1-CG1 4.32Å; V185-V203 HydrophobicContact CG2-CG1 4.28Å; V185-G226 PolarHBondContact N-O 3.46Å; V185-Y228 HydrophobicContact CB-CD2 3.82Å; V185-Y228 HydrophobicContact CB-CE2 3.48Å; V185-Y228 VanDerWaalsContact CB-CE2 3.48Å; V185-Y228 HydrophobicContact CG2-CD2 3.79Å; V185-Y228 HydrophobicContact CG2-CE2 4.02Å; V185-Y228 HydrophobicContact CG2-CG 4.46Å; V185-Y228 WeakPolarHBondContact O-CE2 3.3Å; V185-Y228 PolarHBondContact O-OH 3.26Å
186	G	96.6	Very high	93.8	Very high	1 Å²	1	40 Å²	40	1%	0.01	24%	0.24	C	C	.	.	S	Bend	trans	146.4	-158	-173.1	0	0	0	0	0	113.2	P163 L165	P163-G186 WeakPolarHBondContact CG-O 3.14Å; P163-G186 PolarHBondContact O-N 3.5Å; L165-G186 WeakPolarHBondContact CD2-O 3.33Å
187	F	95.1	Very high	93.3	Very high	47 Å²	47	36.4 Å²	36.4	21%	0.206	20%	0.204	C	C	.	.			trans	-126.6	127.7	-170.6	-62.7	-90	0	0	0	109.4	A162 P163 E189 G190 K192	A162-F187 HydrophobicContact CB-CE2 3.93Å; P163-F187 HydrophobicContact CG-CE1 4.23Å; P163-F187 HydrophobicContact CG-CZ 4.48Å; F187-E189 VanDerWaalsContact C-N 3.26Å; F187-E189 HydrophobicContact CB-CG 4.03Å; F187-E189 PolarHBondContact O-N 2.74Å; F187-G190 PolarHBondContact O-N 3.29Å; F187-K192 HydrophobicContact CD2-CB 3.47Å; F187-K192 VanDerWaalsContact CD2-CB 3.47Å; F187-K192 HydrophobicContact CD2-CD 4.25Å; F187-K192 HydrophobicContact CD2-CG 4.34Å; F187-K192 HydrophobicContact CE2-CB 3.79Å; F187-K192 HydrophobicContact CE2-CD 3.86Å; F187-K192 HydrophobicContact CE2-CG 4.41Å; F187-K192 HydrophobicContact CG-CB 4.35Å; F187-K192 HydrophobicContact CZ-CD 4.32Å
188	L	95.3	Very high	93.2	Very high	52 Å²	52	33.1 Å²	33.1	27%	0.272	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-23.4	-178.5	-68.5	179.7	0	0	0	112	L165 G190 A222 N223 P225	L165-L188 HydrophobicContact CD1-CD2 3.79Å; L165-L188 HydrophobicContact CD1-CG 4.12Å; L188-G190 PolarHBondContact O-N 2.9Å; L188-A222 CarbonylContact O-C 3.58Å; L188-A222 WeakPolarHBondContact O-CA 3.28Å; L188-N223 PolarHBondContact O-N 3.21Å; L188-P225 HydrophobicContact CD2-CG 3.96Å
189	E	94.6	Very high	93.2	Very high	142 Å²	142	33.2 Å²	33.2	66%	0.664	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.7	171.2	59.2	-92.8	-136.1	0	0	113.2	F187	F187-E189 VanDerWaalsContact C-N 3.26Å; F187-E189 HydrophobicContact CB-CG 4.03Å; F187-E189 PolarHBondContact O-N 2.74Å
190	G	91.4	Very high	93.2	Very high	9 Å²	9	31.6 Å²	31.6	9%	0.093	18%	0.181	C	C	.	.			trans	77.6	-161	-173.5	0	0	0	0	0	112.3	F187 L188 K192 A220	F187-G190 PolarHBondContact O-N 3.29Å; L188-G190 PolarHBondContact O-N 2.9Å; G190-K192 PolarHBondContact O-N 2.99Å; G190-A220 CarbonylContact C-O 3.57Å; G190-A220 WeakPolarHBondContact CA-O 3.33Å
191	G	86.2	Confident	93.2	Very high	46 Å²	46	27.7 Å²	27.7	47%	0.474	15%	0.154	S	C	.	.	S	Bend	trans	77.5	-23.1	180	0	0	0	0	0	115.3	V24 G25 A220	V24-G191 CarbonylContact C-O 3.53Å; G25-G191 WeakPolarHBondContact CA-O 3.28Å; G25-G191 PolarHBondContact N-O 2.76Å; G191-A220 PolarHBondContact N-O 3.49Å
192	K	86.3	Confident	93.2	Very high	81 Å²	81	26.5 Å²	26.5	35%	0.352	15%	0.147	S	C	.	.			trans	-131.2	119.6	176.5	-64.9	-166.8	-179.5	-151.1	0	113.1	V24 G25 V160 F187 G190	V24-K192 WeakPolarHBondContact O-CA 3.38Å; G25-K192 WeakPolarHBondContact O-CD 3.25Å; G25-K192 WeakPolarHBondContact O-CE 3.44Å; G25-K192 WeakPolarHBondContact O-CG 3.46Å; G25-K192 PolarHBondContact O-NZ 2.92Å; V160-K192 HydrophobicContact CG2-CB 4.3Å; V160-K192 HydrophobicContact CG2-CD 4.28Å; F187-K192 HydrophobicContact CD2-CB 3.47Å; F187-K192 VanDerWaalsContact CD2-CB 3.47Å; F187-K192 HydrophobicContact CD2-CD 4.25Å; F187-K192 HydrophobicContact CD2-CG 4.34Å; F187-K192 HydrophobicContact CE2-CB 3.79Å; F187-K192 HydrophobicContact CE2-CD 3.86Å; F187-K192 HydrophobicContact CE2-CG 4.41Å; F187-K192 HydrophobicContact CG-CB 4.35Å; F187-K192 HydrophobicContact CZ-CD 4.32Å; G190-K192 PolarHBondContact O-N 2.99Å
193	D	82.6	Confident	93.2	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.027	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-167.6	158.8	-179.3	-159.1	6.5	0	0	0	113.3	I23 V24 A220 G226	I23-D193 WeakPolarHBondContact CG2-O 3.36Å; V24-D193 PolarHBondContact N-O 2.81Å; V24-D193 PolarHBondContact O-N 2.82Å; V24-D193 VanDerWaalsContact O-N 3.1Å; D193-A220 HydrophobicContact CB-CB 3.73Å; D193-A220 PolarHBondContact OD2-N 2.83Å; D193-A220 VanDerWaalsContact OD2-N 3.11Å; D193-G226 WeakPolarHBondContact OD1-CA 3.36Å; D193-G226 PolarHBondContact OD1-N 3.25Å
194	S	81.4	Confident	93.2	Very high	9 Å²	9	26 Å²	26	6%	0.063	15%	0.145	C	C	.	.			trans	-68	160.5	159.9	65	0	0	0	0	111.2	Y228	S194-Y228 PolarHBondContact OG-OH 2.87Å
195	C	90.1	Very high	93.2	Very high	10 Å²	10	26 Å²	26	7%	0.068	15%	0.146	C	C	.	.			trans	-147.7	-173.5	-175.4	-158.4	0	0	0	0	113	V24 N145 G197 D198 C219	V24-C195 HydrophobicContact CG2-CB 4.18Å; N145-C195 HydrophobicContact CB-CB 4.22Å; N145-C195 WeakPolarHBondContact O-CB 3.04Å; C195-G197 PolarHBondContact O-N 3.13Å; C195-D198 PolarHBondContact N-OD2 2.87Å; C195-D198 WeakPolarHBondContact O-CB 3.38Å; C195-D198 PolarHBondContact O-N 2.88Å; C195-C219 WeakPolarHBondContact CA-SG 3.27Å; C195-C219 HydrophobicContact CB-CB 3.71Å; C195-C219 WeakPolarHBondContact CB-SG 3.36Å; C195-C219 WeakPolarHBondContact SG-CB 3.42Å; C195-C219 CovalentContact SG-SG 2.02Å; C195-C219 PolarHBondContact SG-SG 3.31Å
196	Q	85.2	Confident	93.1	Very high	94 Å²	94	33 Å²	33	44%	0.439	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	129.7	-178.9	-64.4	80.5	23.7	0	0	110.6	G144 N145 Y153 C219	G144-Q196 CarbonylContact C-O 3.58Å; G144-Q196 WeakPolarHBondContact CA-O 3.42Å; N145-Q196 PolarHBondContact N-O 3.46Å; Y153-Q196 WeakPolarHBondContact CE1-O 3.41Å; Q196-C219 PolarHBondContact OE1-SG 3.04Å
197	G	88	Confident	93.2	Very high	15 Å²	15	35.3 Å²	35.3	16%	0.155	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.2	-21.9	-174.8	0	0	0	0	0	113.9	H45 C195 S199	H45-G197 PolarHBondContact NE2-O 2.82Å; C195-G197 PolarHBondContact O-N 3.13Å; G197-S199 VanDerWaalsContact C-N 3.26Å; G197-S199 PolarHBondContact O-N 3.01Å
198	D	95.5	Very high	93.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.206	C	C	.	.			trans	-77.1	-16.5	172.2	-63.6	-45.5	0	0	0	112.5	G142 W143 G144 C195 G200 G201 V213	G142-D198 VanDerWaalsContact C-OD1 3.26Å; G142-D198 WeakPolarHBondContact CA-OD1 3.44Å; W143-D198 PolarHBondContact N-OD1 2.87Å; G144-D198 VanDerWaalsContact CA-OD1 3.27Å; G144-D198 WeakPolarHBondContact CA-OD1 3.36Å; G144-D198 PolarHBondContact N-OD1 3.37Å; C195-D198 PolarHBondContact N-OD2 2.87Å; C195-D198 WeakPolarHBondContact O-CB 3.38Å; C195-D198 PolarHBondContact O-N 2.88Å; D198-G200 PolarHBondContact O-N 3Å; D198-G201 WeakPolarHBondContact O-CA 3.42Å; D198-G201 PolarHBondContact O-N 3.45Å; D198-V213 HydrophobicContact CB-CG1 4.05Å; D198-V213 HydrophobicContact CB-CG2 4.35Å; D198-V213 VanDerWaalsContact O-CB 3.3Å; D198-V213 WeakPolarHBondContact O-CB 3.44Å; D198-V213 WeakPolarHBondContact O-CG2 3.29Å
199	S	97.9	Very high	93.6	Very high	21 Å²	21	32.6 Å²	32.6	15%	0.147	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.4	134	177.6	-74.8	0	0	0	0	113.3	C47 G48 H62 G197 G201	C47-S199 CarbonylContact C-O 3.33Å; C47-S199 WeakPolarHBondContact CA-O 3.4Å; C47-S199 WeakPolarHBondContact CB-O 3.24Å; G48-S199 PolarHBondContact N-O 2.98Å; H62-S199 PolarHBondContact CE1-OG 3.17Å; H62-S199 WeakPolarHBondContact NE2-CB 3.23Å; H62-S199 PolarHBondContact NE2-OG 3.45Å; G197-S199 VanDerWaalsContact C-N 3.26Å; G197-S199 PolarHBondContact O-N 3.01Å; S199-G201 PolarHBondContact O-N 3.31Å
200	G	98.7	Very high	93.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-13.2	-175	0	0	0	0	0	114.8	G48 G49 S59 D198 V213	G48-G200 VanDerWaalsContact C-C 3.48Å; G48-G200 CarbonylContact C-O 3.59Å; G48-G200 CarbonylContact O-C 3.58Å; G48-G200 VanDerWaalsContact O-C 3.31Å; G48-G200 WeakPolarHBondContact O-CA 3.34Å; G49-G200 VanDerWaalsContact CA-O 3.27Å; G49-G200 WeakPolarHBondContact CA-O 3.2Å; S59-G200 WeakPolarHBondContact OG-CA 3.4Å; D198-G200 PolarHBondContact O-N 3Å; G200-V213 PolarHBondContact N-O 3.14Å
201	G	98.6	Very high	94.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.159	C	C	.	.			trans	-64.7	163.3	176.9	0	0	0	0	0	113.7	D198 S199 I212 V213	D198-G201 WeakPolarHBondContact O-CA 3.42Å; D198-G201 PolarHBondContact O-N 3.45Å; S199-G201 PolarHBondContact O-N 3.31Å; G201-I212 WeakPolarHBondContact O-CA 3.23Å; G201-V213 PolarHBondContact O-N 2.02Å
202	P	98.7	Very high	94.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	146.1	-176.1	26.2	-32.1	0	0	0	113.8	Y36 I37 S50 S141 V204 L209	Y36-P202 HydrophobicContact CD2-CB 4.31Å; Y36-P202 HydrophobicContact CD2-CG 4.24Å; Y36-P202 HydrophobicContact CE2-CB 3.85Å; Y36-P202 HydrophobicContact CE2-CG 3.77Å; I37-P202 HydrophobicContact CD1-CG 4.14Å; I37-P202 HydrophobicContact CG1-CG 4.27Å; S50-P202 VanDerWaalsContact OG-CB 3.31Å; S50-P202 WeakPolarHBondContact OG-CB 3.45Å; S141-P202 WeakPolarHBondContact OG-CG 2.97Å; P202-V204 HydrophobicContact CB-CG2 3.99Å; P202-L209 HydrophobicContact CB-CD1 3.77Å
203	V	98.8	Very high	95.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	110.3	152.1	-172.8	0	0	0	0	108.7	C138 L139 I140 V185 Q210 G211 Y228	C138-V203 HydrophobicContact CB-CG1 3.62Å; L139-V203 WeakPolarHBondContact O-CA 3.31Å; I140-V203 HydrophobicContact CG1-CB 4.46Å; I140-V203 HydrophobicContact CG1-CG1 4.03Å; I140-V203 HydrophobicContact CG1-CG2 4.03Å; V185-V203 HydrophobicContact CG1-CG1 4.32Å; V185-V203 HydrophobicContact CG2-CG1 4.28Å; V203-Q210 PolarHBondContact O-N 2.98Å; V203-G211 PolarHBondContact N-O 2.95Å; V203-G211 PolarHBondContact O-N 3.4Å; V203-Y228 HydrophobicContact CG2-CD1 3.14Å; V203-Y228 HydrophobicContact CG2-CE1 3.48Å; V203-Y228 VanDerWaalsContact CG2-CE1 3.48Å; V203-Y228 HydrophobicContact CG2-CG 3.85Å
204	V	98.8	Very high	96.1	Very high	12 Å²	12	19.9 Å²	19.9	7%	0.073	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.1	-176.3	179.9	0	0	0	0	110.7	Y36 V125 C138 L139 P202 Q208 L209	Y36-V204 HydrophobicContact CD2-CG2 4.44Å; Y36-V204 HydrophobicContact CE1-CG2 4.39Å; Y36-V204 HydrophobicContact CE2-CG2 3.55Å; Y36-V204 WeakPolarHBondContact OH-CG2 3.45Å; V125-V204 HydrophobicContact CG2-CG1 4.26Å; V125-V204 HydrophobicContact CG2-CG2 3.89Å; C138-V204 CarbonylContact C-O 3.47Å; C138-V204 VanDerWaalsContact CA-O 3.27Å; C138-V204 WeakPolarHBondContact CA-O 3.2Å; C138-V204 WeakPolarHBondContact CB-O 3.32Å; L139-V204 PolarHBondContact N-O 2.77Å; L139-V204 PolarHBondContact O-N 3.46Å; P202-V204 HydrophobicContact CB-CG2 3.99Å; V204-Q208 WeakPolarHBondContact CA-O 3.37Å; V204-L209 HydrophobicContact CG2-CD1 4.29Å
205	C	98.6	Very high	96.8	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.014	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.2	176.2	-34.4	0	0	0	0	108	V132 T136 C138 G207 Q208 Q210	V132-C205 HydrophobicContact CG2-CB 4.06Å; T136-C205 HydrophobicContact CG2-CB 4.01Å; C138-C205 HydrophobicContact CB-CB 3.97Å; C138-C205 WeakPolarHBondContact CB-SG 3.42Å; C138-C205 WeakPolarHBondContact SG-CB 3.34Å; C138-C205 CovalentContact SG-SG 2.02Å; C138-C205 PolarHBondContact SG-SG 3.3Å; C205-G207 PolarHBondContact O-N 3.05Å; C205-G207 VanDerWaalsContact O-N 3.14Å; C205-Q208 PolarHBondContact N-O 3.16Å; C205-Q208 PolarHBondContact O-N 3.07Å; C205-Q210 HydrophobicContact CB-CB 4.46Å; C205-Q210 HydrophobicContact CB-CG 3.92Å
206	N	97.5	Very high	97	Very high	146 Å²	146	22 Å²	22	78%	0.781	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	37.4	-179.4	-56.7	-37	0	0	0	113.6	Q208	N206-Q208 VanDerWaalsContact C-N 3.28Å; N206-Q208 PolarHBondContact O-N 3.45Å
207	G	98.1	Very high	97.3	Very high	50 Å²	50	22.1 Å²	22.1	52%	0.515	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	9.2	-179.9	0	0	0	0	0	115.7	C205	C205-G207 PolarHBondContact O-N 3.05Å; C205-G207 VanDerWaalsContact O-N 3.14Å
208	Q	98.8	Very high	97.3	Very high	43 Å²	43	23 Å²	23	20%	0.201	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.9	177.4	-66.5	-178	-31.2	0	0	111.5	S126 P128 S129 V204 C205 N206 Q210	S126-Q208 WeakPolarHBondContact O-CA 3.5Å; P128-Q208 HydrophobicContact CB-CB 4.37Å; S129-Q208 PolarHBondContact OG-NE2 3.2Å; V204-Q208 WeakPolarHBondContact CA-O 3.37Å; C205-Q208 PolarHBondContact N-O 3.16Å; C205-Q208 PolarHBondContact O-N 3.07Å; N206-Q208 VanDerWaalsContact C-N 3.28Å; N206-Q208 PolarHBondContact O-N 3.45Å; Q208-Q210 PolarHBondContact O-N 2.72Å; Q208-Q210 VanDerWaalsContact O-N 3.14Å
209	L	98.9	Very high	96.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	101.4	176.7	-177	69.1	0	0	0	110.1	I52 V58 V125 S126 P128 P202 V204 G211 V231	I52-L209 HydrophobicContact CG2-CD2 4.22Å; V58-L209 HydrophobicContact CG1-CD2 3.36Å; V125-L209 HydrophobicContact CG1-CB 3.92Å; V125-L209 HydrophobicContact CG1-CD2 4.27Å; V125-L209 HydrophobicContact CG1-CG 4.47Å; V125-L209 HydrophobicContact CG2-CB 4Å; S126-L209 PolarHBondContact O-N 2.62Å; P128-L209 WeakPolarHBondContact CD-O 3.49Å; P128-L209 WeakPolarHBondContact CG-O 3.44Å; P202-L209 HydrophobicContact CB-CD1 3.77Å; V204-L209 HydrophobicContact CG2-CD1 4.29Å; L209-G211 WeakPolarHBondContact CD1-O 3.07Å; L209-V231 HydrophobicContact CD2-CG1 4.47Å; L209-V231 HydrophobicContact CG-CG1 4.5Å; L209-V231 HydrophobicContact CG-CG2 4.25Å; L209-V231 WeakPolarHBondContact O-CB 3.47Å; L209-V231 WeakPolarHBondContact O-CG1 3.07Å
210	Q	98.8	Very high	96.3	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.028	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-25.2	-175.4	-69.6	-74.7	-7.7	0	0	112.4	P128 S130 V132 I183 V203 C205 Q208 V231	P128-Q210 HydrophobicContact CB-CG 4.48Å; P128-Q210 VanDerWaalsContact CB-NE2 3.31Å; S130-Q210 PolarHBondContact O-NE2 3.4Å; S130-Q210 PolarHBondContact O-OE1 2.92Å; V132-Q210 HydrophobicContact CB-CB 4.2Å; V132-Q210 HydrophobicContact CB-CG 3.82Å; V132-Q210 HydrophobicContact CG1-CB 3.93Å; V132-Q210 HydrophobicContact CG1-CG 4.13Å; V132-Q210 VanDerWaalsContact N-OE1 3.08Å; I183-Q210 WeakPolarHBondContact CD1-O 3.34Å; V203-Q210 PolarHBondContact O-N 2.98Å; C205-Q210 HydrophobicContact CB-CB 4.46Å; C205-Q210 HydrophobicContact CB-CG 3.92Å; Q208-Q210 PolarHBondContact O-N 2.72Å; Q208-Q210 VanDerWaalsContact O-N 3.14Å; Q210-V231 PolarHBondContact O-N 2.89Å
211	G	98.8	Very high	95.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	159	-178.7	0	0	0	0	0	113.2	V203 L209 T229	V203-G211 PolarHBondContact N-O 2.95Å; V203-G211 PolarHBondContact O-N 3.4Å; L209-G211 WeakPolarHBondContact CD1-O 3.07Å; G211-T229 VanDerWaalsContact CA-O 3.26Å; G211-T229 WeakPolarHBondContact CA-O 3.4Å
212	I	98.9	Very high	95.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.1	168.1	-61.5	163.8	0	0	0	106.9	V58 A60 I107 G201 S214 Y228 T229 V231	V58-I212 HydrophobicContact CG2-CD1 3.69Å; A60-I212 HydrophobicContact CB-CG2 4.07Å; I107-I212 HydrophobicContact CB-CD1 4.18Å; I107-I212 HydrophobicContact CD1-CD1 3.69Å; I107-I212 HydrophobicContact CG1-CD1 3.59Å; G201-I212 WeakPolarHBondContact O-CA 3.23Å; I212-S214 PolarHBondContact O-N 2.78Å; I212-Y228 CarbonylContact O-C 3.54Å; I212-Y228 WeakPolarHBondContact O-CA 3.44Å; I212-Y228 VanDerWaalsContact O-CB 3.29Å; I212-Y228 WeakPolarHBondContact O-CB 3.47Å; I212-T229 PolarHBondContact N-O 2.83Å; I212-T229 PolarHBondContact O-N 3.12Å; I212-V231 HydrophobicContact CD1-CG2 3.88Å; I212-V231 HydrophobicContact CG1-CG2 3.69Å
213	V	98.8	Very high	95.4	Very high	5 Å²	5	35 Å²	35	3%	0.03	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	121.4	176.4	-173.9	0	0	0	0	109.4	I140 D198 G200 G201 Y228	I140-V213 HydrophobicContact CG2-CG2 4.13Å; D198-V213 HydrophobicContact CB-CG1 4.05Å; D198-V213 HydrophobicContact CB-CG2 4.35Å; D198-V213 VanDerWaalsContact O-CB 3.3Å; D198-V213 WeakPolarHBondContact O-CB 3.44Å; D198-V213 WeakPolarHBondContact O-CG2 3.29Å; G200-V213 PolarHBondContact N-O 3.14Å; G201-V213 PolarHBondContact O-N 2.02Å; V213-Y228 HydrophobicContact CB-CD1 4.31Å; V213-Y228 HydrophobicContact CB-CE1 4.37Å; V213-Y228 HydrophobicContact CG1-CE1 4.46Å; V213-Y228 HydrophobicContact CG2-CD1 4.12Å; V213-Y228 HydrophobicContact CG2-CE1 3.93Å
214	S	98.4	Very high	95.2	Very high	5 Å²	5	39 Å²	39	4%	0.035	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	-66.2	-174.1	-177	0	0	0	0	111.5	H62 D106 I212 V227	H62-S214 PolarHBondContact CE1-O 2.81Å; D106-S214 WeakPolarHBondContact OD2-CB 3.48Å; D106-S214 PolarHBondContact OD2-OG 2.86Å; I212-S214 PolarHBondContact O-N 2.78Å; S214-V227 WeakPolarHBondContact CB-O 3.49Å; S214-V227 PolarHBondContact N-O 3.33Å
215	W	97.8	Very high	95.1	Very high	37 Å²	37	38.6 Å²	38.6	14%	0.14	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	171.3	-176	65.2	-88.1	0	0	0	113.8	L103 Y174 E177 I178 M182 Y217 V227	L103-W215 HydrophobicContact CD1-CB 3.53Å; L103-W215 HydrophobicContact CD1-CG 3.69Å; Y174-W215 AromaticContact CD1-CH2 3.78Å; Y174-W215 HydrophobicContact CD1-CH2 3.78Å; Y174-W215 AromaticContact CD1-CZ3 3.67Å; Y174-W215 HydrophobicContact CD1-CZ3 3.67Å; Y174-W215 HydrophobicContact CD2-CH2 4.42Å; Y174-W215 HydrophobicContact CE1-CH2 4.22Å; Y174-W215 AromaticContact CE1-CZ3 3.69Å; Y174-W215 HydrophobicContact CE1-CZ3 3.69Å; Y174-W215 AromaticContact CG-CH2 3.89Å; Y174-W215 HydrophobicContact CG-CH2 3.89Å; Y174-W215 HydrophobicContact CG-CZ3 4.21Å; E177-W215 HydrophobicContact CB-CH2 4.11Å; E177-W215 HydrophobicContact CB-CZ2 4.5Å; I178-W215 HydrophobicContact CD1-CH2 4.05Å; I178-W215 HydrophobicContact CD1-CZ2 3.82Å; M182-W215 HydrophobicContact SD-CZ2 4.03Å; W215-Y217 HydrophobicContact CZ3-CD1 4.3Å; W215-Y217 HydrophobicContact CZ3-CE1 4.14Å; W215-V227 HydrophobicContact CD2-CB 3.85Å; W215-V227 HydrophobicContact CD2-CG1 4.33Å; W215-V227 HydrophobicContact CD2-CG2 4.04Å; W215-V227 HydrophobicContact CE3-CB 4.43Å; W215-V227 HydrophobicContact CE3-CG2 4.14Å; W215-V227 HydrophobicContact CG-CB 4.16Å; W215-V227 HydrophobicContact CH2-CG2 3.91Å; W215-V227 HydrophobicContact CZ2-CB 4.02Å; W215-V227 HydrophobicContact CZ2-CG1 3.83Å; W215-V227 HydrophobicContact CZ2-CG2 3.8Å; W215-V227 HydrophobicContact CZ3-CG2 4.08Å; W215-V227 PolarHBondContact N-O 3.23Å; W215-V227 WeakPolarHBondContact O-CA 3.37Å; W215-V227 WeakPolarHBondContact O-CB 3.41Å; W215-V227 PolarHBondContact O-N 3.4Å; W215-V227 VanDerWaalsContact O-O 3.12Å
216	G	93.8	Very high	95.1	Very high	26 Å²	26	38.5 Å²	38.5	27%	0.268	22%	0.223	S	C	.	.			trans	-173.2	159.9	173.5	0	0	0	0	0	109.6	G218	G216-G218 PolarHBondContact O-N 3.47Å
217	Y	90.3	Very high	95.1	Very high	96 Å²	96	31.6 Å²	31.6	38%	0.376	19%	0.186	S	C	.	.	S	Bend	trans	-88.2	106.1	172.6	-71.9	-14.4	0	0	0	110.4	Y174 E177 W215	Y174-Y217 HydrophobicContact CD1-CD2 4Å; Y174-Y217 HydrophobicContact CD1-CE2 4.1Å; Y174-Y217 AromaticContact CE1-CD2 3.74Å; Y174-Y217 HydrophobicContact CE1-CD2 3.74Å; Y174-Y217 HydrophobicContact CE1-CE2 4.29Å; Y174-Y217 AromaticContact CE1-CG 3.92Å; Y174-Y217 HydrophobicContact CE1-CG 3.92Å; E177-Y217 VanDerWaalsContact CD-OH 3.23Å; E177-Y217 PolarHBondContact OE1-OH 3.04Å; E177-Y217 PolarHBondContact OE2-OH 3.21Å; W215-Y217 HydrophobicContact CZ3-CD1 4.3Å; W215-Y217 HydrophobicContact CZ3-CE1 4.14Å
218	G	89	Confident	95.2	Very high	34 Å²	34	29.2 Å²	29.2	35%	0.351	16%	0.161	S	C	.	.	S	Bend	trans	67.9	-156.7	-168.1	0	0	0	0	0	110.9	G216	G216-G218 PolarHBondContact O-N 3.47Å
219	C	86.7	Confident	95.2	Very high	5 Å²	5	27.3 Å²	27.3	3%	0.034	15%	0.152	C	C	.	.	S	Bend	trans	-135.9	132.2	173.2	-52.4	0	0	0	0	109.2	V24 S148 C195 Q196 Q221	V24-C219 HydrophobicContact CG2-CB 4Å; S148-C219 WeakPolarHBondContact CB-O 3.3Å; C195-C219 WeakPolarHBondContact CA-SG 3.27Å; C195-C219 HydrophobicContact CB-CB 3.71Å; C195-C219 WeakPolarHBondContact CB-SG 3.36Å; C195-C219 WeakPolarHBondContact SG-CB 3.42Å; C195-C219 CovalentContact SG-SG 2.02Å; C195-C219 PolarHBondContact SG-SG 3.31Å; Q196-C219 PolarHBondContact OE1-SG 3.04Å; C219-Q221 PolarHBondContact O-N 2.78Å; C219-Q221 VanDerWaalsContact O-N 3.16Å
220	A	85.4	Confident	95.2	Very high	10 Å²	10	29.9 Å²	29.9	8%	0.083	16%	0.164	C	C	.	.	S	Bend	trans	56.2	30.9	176.1	0	0	0	0	0	114.3	V24 G190 G191 D193	V24-A220 HydrophobicContact CB-CB 3.79Å; V24-A220 HydrophobicContact CG1-CB 3.35Å; V24-A220 HydrophobicContact CG2-CB 4.48Å; G190-A220 CarbonylContact C-O 3.57Å; G190-A220 WeakPolarHBondContact CA-O 3.33Å; G191-A220 PolarHBondContact N-O 3.49Å; D193-A220 HydrophobicContact CB-CB 3.73Å; D193-A220 PolarHBondContact OD2-N 2.83Å; D193-A220 VanDerWaalsContact OD2-N 3.11Å
221	Q	89.7	Confident	95.2	Very high	97 Å²	97	29.6 Å²	29.6	45%	0.453	16%	0.162	S	C	.	.	B	Isolated β-bridge	trans	-83.6	144.2	174.6	-63.8	-172.3	-4.8	0	0	110.4	C219 N223 R224	C219-Q221 PolarHBondContact O-N 2.78Å; C219-Q221 VanDerWaalsContact O-N 3.16Å; Q221-N223 PolarHBondContact O-N 3.14Å; Q221-R224 HydrophobicContact CB-CB 4.05Å; Q221-R224 HydrophobicContact CB-CG 4.2Å; Q221-R224 PolarHBondContact O-N 2.56Å
222	A	92.3	Very high	95.2	Very high	60 Å²	60	30.4 Å²	30.4	50%	0.496	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	136.3	176.2	0	0	0	0	0	111.1	L188 R224	L188-A222 CarbonylContact O-C 3.58Å; L188-A222 WeakPolarHBondContact O-CA 3.28Å; A222-R224 PolarHBondContact O-N 2.97Å
223	N	94.5	Very high	95.2	Very high	101 Å²	101	33.7 Å²	33.7	54%	0.54	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	11.5	-175.1	-56.2	-62.7	0	0	0	115.6	S173 L188 Q221 P225	S173-N223 WeakPolarHBondContact CB-O 3.48Å; S173-N223 PolarHBondContact OG-O 3.26Å; L188-N223 PolarHBondContact O-N 3.21Å; Q221-N223 PolarHBondContact O-N 3.14Å; N223-P225 VanDerWaalsContact C-CD 3.46Å; N223-P225 WeakPolarHBondContact O-CD 3.4Å
224	R	95.8	Very high	95.2	Very high	84 Å²	84	33.7 Å²	33.7	32%	0.317	19%	0.185	S	C	.	.	B	Isolated β-bridge	trans	-122.7	69.7	177.2	-57.2	-59.7	-171.7	173.5	5.7	110.2	S173 Y174 Q221 A222	S173-R224 PolarHBondContact O-NH1 2.93Å; Y174-R224 WeakPolarHBondContact OH-CA 3.33Å; Q221-R224 HydrophobicContact CB-CB 4.05Å; Q221-R224 HydrophobicContact CB-CG 4.2Å; Q221-R224 PolarHBondContact O-N 2.56Å; A222-R224 PolarHBondContact O-N 2.97Å
225	P	97	Very high	95.2	Very high	3 Å²	3	35 Å²	35	2%	0.019	19%	0.192	C	C	.	.			trans	-68.7	154.9	177.5	31.9	-35.9	0	0	0	110.8	L165 S173 Y174 C184 L188 N223	L165-P225 HydrophobicContact CD1-CB 3.53Å; L165-P225 HydrophobicContact CD1-CG 3.63Å; S173-P225 WeakPolarHBondContact OG-CD 3.16Å; Y174-P225 HydrophobicContact CE2-CG 4.07Å; Y174-P225 VanDerWaalsContact CE2-O 3.27Å; Y174-P225 WeakPolarHBondContact CE2-O 3.29Å; Y174-P225 PolarHBondContact OH-O 2.99Å; C184-P225 HydrophobicContact CB-CB 4.42Å; C184-P225 HydrophobicContact CB-CG 4.1Å; L188-P225 HydrophobicContact CD2-CG 3.96Å; N223-P225 VanDerWaalsContact C-CD 3.46Å; N223-P225 WeakPolarHBondContact O-CD 3.4Å
226	G	97.6	Very high	95.2	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	145	171	0	0	0	0	0	112.7	C184 V185 D193 Y228	C184-G226 VanDerWaalsContact CA-O 3.29Å; C184-G226 WeakPolarHBondContact CA-O 3.41Å; V185-G226 PolarHBondContact N-O 3.46Å; D193-G226 WeakPolarHBondContact OD1-CA 3.36Å; D193-G226 PolarHBondContact OD1-N 3.25Å; G226-Y228 WeakPolarHBondContact O-CD2 3.43Å; G226-Y228 WeakPolarHBondContact O-CE2 3.07Å
227	V	98.6	Very high	95.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.3	176.3	-172.4	0	0	0	0	108.9	Y174 I178 M182 S214 W215	Y174-V227 HydrophobicContact CD2-CG2 3.94Å; Y174-V227 HydrophobicContact CE2-CG2 3.54Å; I178-V227 HydrophobicContact CD1-CG1 3.97Å; I178-V227 HydrophobicContact CD1-CG2 3.95Å; M182-V227 HydrophobicContact CB-CG1 3.82Å; M182-V227 HydrophobicContact CG-CG1 4.05Å; M182-V227 HydrophobicContact SD-CG1 3.97Å; S214-V227 WeakPolarHBondContact CB-O 3.49Å; S214-V227 PolarHBondContact N-O 3.33Å; W215-V227 HydrophobicContact CD2-CB 3.85Å; W215-V227 HydrophobicContact CD2-CG1 4.33Å; W215-V227 HydrophobicContact CD2-CG2 4.04Å; W215-V227 HydrophobicContact CE3-CB 4.43Å; W215-V227 HydrophobicContact CE3-CG2 4.14Å; W215-V227 HydrophobicContact CG-CB 4.16Å; W215-V227 HydrophobicContact CH2-CG2 3.91Å; W215-V227 HydrophobicContact CZ2-CB 4.02Å; W215-V227 HydrophobicContact CZ2-CG1 3.83Å; W215-V227 HydrophobicContact CZ2-CG2 3.8Å; W215-V227 HydrophobicContact CZ3-CG2 4.08Å; W215-V227 PolarHBondContact N-O 3.23Å; W215-V227 WeakPolarHBondContact O-CA 3.37Å; W215-V227 WeakPolarHBondContact O-CB 3.41Å; W215-V227 PolarHBondContact O-N 3.4Å; W215-V227 VanDerWaalsContact O-O 3.12Å
228	Y	98.9	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.4	-171.2	-50.9	-99.8	0	0	0	109.9	I140 M182 I183 V185 S194 V203 I212 V213 G226 K230	I140-Y228 HydrophobicContact CD1-CE1 4.19Å; I140-Y228 VanDerWaalsContact CD1-OH 3.25Å; I140-Y228 WeakPolarHBondContact CD1-OH 3.49Å; I140-Y228 HydrophobicContact CG1-CE1 4.46Å; I140-Y228 HydrophobicContact CG2-CE1 4.37Å; M182-Y228 CarbonylContact C-O 3.31Å; M182-Y228 WeakPolarHBondContact CA-O 3.37Å; I183-Y228 PolarHBondContact N-O 2.72Å; I183-Y228 PolarHBondContact O-N 3.4Å; V185-Y228 HydrophobicContact CB-CD2 3.82Å; V185-Y228 HydrophobicContact CB-CE2 3.48Å; V185-Y228 VanDerWaalsContact CB-CE2 3.48Å; V185-Y228 HydrophobicContact CG2-CD2 3.79Å; V185-Y228 HydrophobicContact CG2-CE2 4.02Å; V185-Y228 HydrophobicContact CG2-CG 4.46Å; V185-Y228 WeakPolarHBondContact O-CE2 3.3Å; V185-Y228 PolarHBondContact O-OH 3.26Å; S194-Y228 PolarHBondContact OG-OH 2.87Å; V203-Y228 HydrophobicContact CG2-CD1 3.14Å; V203-Y228 HydrophobicContact CG2-CE1 3.48Å; V203-Y228 VanDerWaalsContact CG2-CE1 3.48Å; V203-Y228 HydrophobicContact CG2-CG 3.85Å; I212-Y228 CarbonylContact O-C 3.54Å; I212-Y228 WeakPolarHBondContact O-CA 3.44Å; I212-Y228 VanDerWaalsContact O-CB 3.29Å; I212-Y228 WeakPolarHBondContact O-CB 3.47Å; V213-Y228 HydrophobicContact CB-CD1 4.31Å; V213-Y228 HydrophobicContact CB-CE1 4.37Å; V213-Y228 HydrophobicContact CG1-CE1 4.46Å; V213-Y228 HydrophobicContact CG2-CD1 4.12Å; V213-Y228 HydrophobicContact CG2-CE1 3.93Å; G226-Y228 WeakPolarHBondContact O-CD2 3.43Å; G226-Y228 WeakPolarHBondContact O-CE2 3.07Å; Y228-K230 PolarHBondContact O-N 3.42Å
229	T	98.9	Very high	96.3	Very high	3 Å²	3	38 Å²	38	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	127.1	173.6	-54.6	0	0	0	0	109.9	D106 I107 G211 I212 V231 Y234	D106-T229 PolarHBondContact O-OG1 2.77Å; I107-T229 HydrophobicContact CB-CG2 4.17Å; G211-T229 VanDerWaalsContact CA-O 3.26Å; G211-T229 WeakPolarHBondContact CA-O 3.4Å; I212-T229 PolarHBondContact N-O 2.83Å; I212-T229 PolarHBondContact O-N 3.12Å; T229-V231 PolarHBondContact O-N 3.34Å; T229-V231 VanDerWaalsContact O-N 3.12Å; T229-Y234 HydrophobicContact CG2-CD2 4.1Å; T229-Y234 HydrophobicContact CG2-CE2 3.49Å; T229-Y234 VanDerWaalsContact CG2-CE2 3.49Å
230	K	98.8	Very high	96.9	Very high	54 Å²	54	41.4 Å²	41.4	24%	0.235	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	90.3	-176.5	-168.6	177.4	-167.6	173.1	0	111.6	N181 I183 Y228 C232 N233 Y234	N181-K230 VanDerWaalsContact O-CB 3.28Å; N181-K230 WeakPolarHBondContact O-CB 3.03Å; N181-K230 PolarHBondContact O-N 3.43Å; I183-K230 HydrophobicContact CG1-CB 4.48Å; I183-K230 HydrophobicContact CG2-CB 3.88Å; I183-K230 HydrophobicContact CG2-CD 3.56Å; I183-K230 HydrophobicContact CG2-CG 3.54Å; Y228-K230 PolarHBondContact O-N 3.42Å; K230-C232 VanDerWaalsContact C-N 3.29Å; K230-C232 PolarHBondContact O-N 3.47Å; K230-C232 VanDerWaalsContact O-N 3.16Å; K230-N233 PolarHBondContact O-N 2.92Å; K230-N233 VanDerWaalsContact O-N 3.14Å; K230-Y234 WeakPolarHBondContact O-CD2 3.44Å
231	V	98.9	Very high	97.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-59.7	-33.3	-167.2	178.5	0	0	0	0	113.7	L127 P128 L209 Q210 I212 T229 N233 Y234 I238	L127-V231 HydrophobicContact CD2-CG1 4.36Å; P128-V231 HydrophobicContact CG-CB 4.29Å; P128-V231 HydrophobicContact CG-CG1 4.01Å; L209-V231 HydrophobicContact CD2-CG1 4.47Å; L209-V231 HydrophobicContact CG-CG1 4.5Å; L209-V231 HydrophobicContact CG-CG2 4.25Å; L209-V231 WeakPolarHBondContact O-CB 3.47Å; L209-V231 WeakPolarHBondContact O-CG1 3.07Å; Q210-V231 PolarHBondContact O-N 2.89Å; I212-V231 HydrophobicContact CD1-CG2 3.88Å; I212-V231 HydrophobicContact CG1-CG2 3.69Å; T229-V231 PolarHBondContact O-N 3.34Å; T229-V231 VanDerWaalsContact O-N 3.12Å; V231-N233 PolarHBondContact O-N 2.8Å; V231-Y234 PolarHBondContact O-N 3.44Å; V231-I238 HydrophobicContact CG1-CD1 4.34Å
232	C	98.7	Very high	97.9	Very high	18 Å²	18	39.1 Å²	39.1	12%	0.122	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-57.2	-24.2	179.4	63.8	0	0	0	0	114.1	P128 C131 K230 Y234	P128-C232 HydrophobicContact CB-CB 4.33Å; P128-C232 HydrophobicContact CG-CB 3.92Å; C131-C232 WeakPolarHBondContact CA-SG 3.19Å; C131-C232 HydrophobicContact CB-CB 3.92Å; C131-C232 WeakPolarHBondContact CB-SG 3.1Å; C131-C232 WeakPolarHBondContact SG-CB 3.18Å; C131-C232 CovalentContact SG-SG 2.03Å; C131-C232 PolarHBondContact SG-SG 2.03Å; K230-C232 VanDerWaalsContact C-N 3.29Å; K230-C232 PolarHBondContact O-N 3.47Å; K230-C232 VanDerWaalsContact O-N 3.16Å; C232-Y234 PolarHBondContact O-N 2.83Å
233	N	98.8	Very high	98.2	Very high	69 Å²	69	40.6 Å²	40.6	37%	0.369	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-74.2	-14.3	176	-67.3	3	0	0	0	113	S180 N181 K230 V231	S180-N233 PolarHBondContact O-ND2 3.15Å; N181-N233 PolarHBondContact OD1-ND2 3.31Å; K230-N233 PolarHBondContact O-N 2.92Å; K230-N233 VanDerWaalsContact O-N 3.14Å; V231-N233 PolarHBondContact O-N 2.8Å
234	Y	98.9	Very high	98.3	Very high	5 Å²	5	39.9 Å²	39.9	2%	0.02	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-109.6	-2.1	-168	-64.6	-77.9	0	0	0	114.4	H95 N105 I107 N181 T229 K230 V231 C232 S236 W237 I238	H95-Y234 AromaticContact CD2-CD1 3.63Å; H95-Y234 AromaticContact CD2-CE1 3.66Å; H95-Y234 AromaticContact NE2-CD1 3.7Å; H95-Y234 AromaticContact NE2-CE1 3.62Å; N105-Y234 VanDerWaalsContact CA-OH 3.29Å; N105-Y234 WeakPolarHBondContact CA-OH 3.45Å; N105-Y234 HydrophobicContact CB-CE1 4.33Å; N105-Y234 PolarHBondContact OD1-OH 3.48Å; I107-Y234 HydrophobicContact CD1-CD2 4.26Å; I107-Y234 HydrophobicContact CD1-CG 3.98Å; I107-Y234 HydrophobicContact CG2-CD1 3.73Å; I107-Y234 HydrophobicContact CG2-CD2 4.44Å; I107-Y234 HydrophobicContact CG2-CE1 3.78Å; I107-Y234 HydrophobicContact CG2-CE2 4.48Å; I107-Y234 HydrophobicContact CG2-CG 4.08Å; N181-Y234 HydrophobicContact CB-CE2 4.4Å; N181-Y234 WeakPolarHBondContact CB-OH 3.05Å; T229-Y234 HydrophobicContact CG2-CD2 4.1Å; T229-Y234 HydrophobicContact CG2-CE2 3.49Å; T229-Y234 VanDerWaalsContact CG2-CE2 3.49Å; K230-Y234 WeakPolarHBondContact O-CD2 3.44Å; V231-Y234 PolarHBondContact O-N 3.44Å; C232-Y234 PolarHBondContact O-N 2.83Å; Y234-S236 VanDerWaalsContact C-N 3.31Å; Y234-S236 PolarHBondContact O-N 2.94Å; Y234-W237 HydrophobicContact CD1-CE3 4.47Å; Y234-W237 PolarHBondContact O-N 3.26Å; Y234-I238 WeakPolarHBondContact O-CG1 3.47Å; Y234-I238 PolarHBondContact O-N 3.01Å
235	N	98.6	Very high	98.3	Very high	32 Å²	32	40.3 Å²	40.3	17%	0.171	24%	0.24	C	C	.	.	H	α-helix	trans	-51.7	-46.6	-176.3	-77.4	-9.4	0	0	0	113.5	P128 W237 I238 Q239	P128-N235 PolarHBondContact O-ND2 3.22Å; N235-W237 PolarHBondContact O-N 3.31Å; N235-I238 PolarHBondContact O-N 2.03Å; N235-Q239 WeakPolarHBondContact O-CB 3.41Å; N235-Q239 VanDerWaalsContact O-CG 3.28Å; N235-Q239 WeakPolarHBondContact O-CG 3.38Å; N235-Q239 PolarHBondContact O-N 3.15Å
236	S	98.5	Very high	98.4	Very high	96 Å²	96	42.2 Å²	42.2	67%	0.671	25%	0.251	S	S	*	.	H	α-helix	trans	-62.8	-42.3	179.5	-55.1	0	0	0	0	112	Y234 S240	Y234-S236 VanDerWaalsContact C-N 3.31Å; Y234-S236 PolarHBondContact O-N 2.94Å; S236-S240 VanDerWaalsContact O-CB 3.23Å; S236-S240 WeakPolarHBondContact O-CB 3.49Å; S236-S240 PolarHBondContact O-N 2.84Å
237	W	98.8	Very high	98.4	Very high	42 Å²	42	44.4 Å²	44.4	16%	0.159	26%	0.264	C	S	.	.	H	α-helix	trans	-66.4	-43.3	176.5	170.8	76.9	0	0	0	111.4	I93 H95 I107 L109 Y234 N235 S240 T241	I93-W237 HydrophobicContact CG2-CZ2 4.49Å; H95-W237 HydrophobicContact CB-CH2 4.46Å; H95-W237 HydrophobicContact CB-CZ2 4.24Å; H95-W237 AromaticContact CD2-CD1 3.98Å; H95-W237 AromaticContact CD2-CD2 3.46Å; H95-W237 VanDerWaalsContact CD2-CD2 3.46Å; H95-W237 AromaticContact CD2-CE2 3.64Å; H95-W237 AromaticContact CD2-CE3 3.85Å; H95-W237 AromaticContact CD2-CG 3.72Å; H95-W237 AromaticContact CD2-NE1 3.94Å; H95-W237 AromaticContact NE2-CG 3.87Å; I107-W237 HydrophobicContact CD1-CE3 4.41Å; I107-W237 HydrophobicContact CD1-CZ3 3.9Å; I107-W237 HydrophobicContact CG1-CH2 4.49Å; I107-W237 HydrophobicContact CG1-CZ3 3.86Å; I107-W237 HydrophobicContact CG2-CE3 4.43Å; I107-W237 HydrophobicContact CG2-CH2 4.44Å; I107-W237 HydrophobicContact CG2-CZ3 3.98Å; L109-W237 HydrophobicContact CB-CH2 4.36Å; L109-W237 HydrophobicContact CD1-CH2 4.14Å; L109-W237 HydrophobicContact CD1-CZ3 4.18Å; L109-W237 HydrophobicContact CG-CH2 3.79Å; L109-W237 HydrophobicContact CG-CZ3 3.9Å; Y234-W237 HydrophobicContact CD1-CE3 4.47Å; Y234-W237 PolarHBondContact O-N 3.26Å; N235-W237 PolarHBondContact O-N 3.31Å; W237-S240 PolarHBondContact O-N 3.03Å; W237-T241 PolarHBondContact NE1-OG1 2.93Å; W237-T241 VanDerWaalsContact O-CB 3.24Å; W237-T241 WeakPolarHBondContact O-CB 3.37Å; W237-T241 PolarHBondContact O-N 3.15Å; W237-T241 PolarHBondContact O-OG1 3.37Å
238	I	98.9	Very high	98.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-53.2	178.4	-68.4	168.5	0	0	0	109.8	I52 I107 L109 L127 V231 Y234 N235 S240 T241 M242	I52-I238 HydrophobicContact CD1-CG2 3.74Å; I107-I238 HydrophobicContact CD1-CD1 4.12Å; I107-I238 HydrophobicContact CD1-CG1 4.42Å; L109-I238 HydrophobicContact CD1-CG2 4.32Å; L109-I238 HydrophobicContact CD2-CG1 4.5Å; L109-I238 HydrophobicContact CD2-CG2 4.24Å; L127-I238 HydrophobicContact CD1-CB 4.38Å; L127-I238 HydrophobicContact CD1-CD1 4.45Å; L127-I238 HydrophobicContact CD1-CG2 3.75Å; L127-I238 HydrophobicContact CD2-CD1 3.84Å; V231-I238 HydrophobicContact CG1-CD1 4.34Å; Y234-I238 WeakPolarHBondContact O-CG1 3.47Å; Y234-I238 PolarHBondContact O-N 3.01Å; N235-I238 PolarHBondContact O-N 2.03Å; I238-S240 PolarHBondContact O-N 3.22Å; I238-T241 PolarHBondContact O-N 3.19Å; I238-M242 HydrophobicContact CG2-CG 4.43Å; I238-M242 HydrophobicContact CG2-SD 3.61Å; I238-M242 WeakPolarHBondContact O-CB 3.47Å; I238-M242 VanDerWaalsContact O-CG 3.25Å; I238-M242 WeakPolarHBondContact O-CG 3.36Å; I238-M242 PolarHBondContact O-N 2.65Å
239	Q	98.6	Very high	98.4	Very high	118 Å²	118	49.6 Å²	49.6	55%	0.551	30%	0.295	S	S	*	.	H	α-helix	trans	-62.6	-45.7	-178.3	-71	172.8	-11.2	0	0	112.2	N235 T241 M242 A243	N235-Q239 WeakPolarHBondContact O-CB 3.41Å; N235-Q239 VanDerWaalsContact O-CG 3.28Å; N235-Q239 WeakPolarHBondContact O-CG 3.38Å; N235-Q239 PolarHBondContact O-N 3.15Å; Q239-T241 PolarHBondContact O-N 2.96Å; Q239-M242 PolarHBondContact O-N 3.47Å; Q239-A243 WeakPolarHBondContact O-CB 3.38Å; Q239-A243 PolarHBondContact O-N 3.16Å
240	S	98.6	Very high	98.3	Very high	77 Å²	77	52.5 Å²	52.5	54%	0.538	31%	0.312	S	S	.	.	H	α-helix	trans	-64	-40.3	178.8	179.6	0	0	0	0	112.1	S236 W237 I238 A243 S244	S236-S240 VanDerWaalsContact O-CB 3.23Å; S236-S240 WeakPolarHBondContact O-CB 3.49Å; S236-S240 PolarHBondContact O-N 2.84Å; W237-S240 PolarHBondContact O-N 3.03Å; I238-S240 PolarHBondContact O-N 3.22Å; S240-A243 PolarHBondContact O-N 3.44Å; S240-S244 WeakPolarHBondContact O-CB 3.35Å; S240-S244 PolarHBondContact O-N 3.11Å; S240-S244 VanDerWaalsContact O-N 3.16Å; S240-S244 PolarHBondContact O-OG 2.98Å
241	T	98.8	Very high	98.3	Very high	12 Å²	12	52.4 Å²	52.4	7%	0.074	32%	0.317	C	S	.	.	H	α-helix	trans	-66.7	-44.6	177.7	-58	0	0	0	0	111.2	I93 L109 W237 I238 Q239 A243 S244 N245	I93-T241 HydrophobicContact CB-CG2 4.44Å; I93-T241 HydrophobicContact CD1-CG2 3.57Å; I93-T241 HydrophobicContact CG2-CG2 4.14Å; L109-T241 HydrophobicContact CD1-CG2 3.71Å; W237-T241 PolarHBondContact NE1-OG1 2.93Å; W237-T241 VanDerWaalsContact O-CB 3.24Å; W237-T241 WeakPolarHBondContact O-CB 3.37Å; W237-T241 PolarHBondContact O-N 3.15Å; W237-T241 PolarHBondContact O-OG1 3.37Å; I238-T241 PolarHBondContact O-N 3.19Å; Q239-T241 PolarHBondContact O-N 2.96Å; T241-A243 VanDerWaalsContact C-N 3.33Å; T241-A243 PolarHBondContact O-N 3.01Å; T241-S244 PolarHBondContact O-N 3.09Å; T241-S244 PolarHBondContact O-OG 3.28Å; T241-N245 PolarHBondContact O-N 2.9Å; T241-N245 PolarHBondContact O-ND2 3.44Å
242	M	98.4	Very high	98.3	Very high	46 Å²	46	56.1 Å²	56.1	23%	0.227	34%	0.34	C	S	.	.	H	α-helix	trans	-63.7	-36.3	177	-71.5	171.9	60.9	0	0	112.8	I52 W56 L109 I238 Q239 S244	I52-M242 HydrophobicContact CD1-SD 3.83Å; W56-M242 HydrophobicContact CB-CE 4.19Å; W56-M242 HydrophobicContact CB-CG 4.45Å; W56-M242 HydrophobicContact CB-SD 4.41Å; W56-M242 HydrophobicContact CD2-CG 3.77Å; W56-M242 HydrophobicContact CE3-CG 4.27Å; W56-M242 HydrophobicContact CG-CE 4.03Å; W56-M242 HydrophobicContact CG-CG 3.85Å; W56-M242 HydrophobicContact CG-SD 4.34Å; W56-M242 HydrophobicContact CZ2-CB 4.44Å; W56-M242 HydrophobicContact CZ2-CG 4.39Å; L109-M242 HydrophobicContact CD1-CG 4.2Å; I238-M242 HydrophobicContact CG2-CG 4.43Å; I238-M242 HydrophobicContact CG2-SD 3.61Å; I238-M242 WeakPolarHBondContact O-CB 3.47Å; I238-M242 VanDerWaalsContact O-CG 3.25Å; I238-M242 WeakPolarHBondContact O-CG 3.36Å; I238-M242 PolarHBondContact O-N 2.65Å; Q239-M242 PolarHBondContact O-N 3.47Å; M242-S244 VanDerWaalsContact C-N 3.35Å
243	A	98	Very high	98.2	Very high	92 Å²	92	59.1 Å²	59.1	76%	0.76	36%	0.357	S	S	*	.	H	α-helix	trans	-75	-24.5	179.7	0	0	0	0	0	113.4	Q239 S240 T241	Q239-A243 WeakPolarHBondContact O-CB 3.38Å; Q239-A243 PolarHBondContact O-N 3.16Å; S240-A243 PolarHBondContact O-N 3.44Å; T241-A243 VanDerWaalsContact C-N 3.33Å; T241-A243 PolarHBondContact O-N 3.01Å
244	S	97	Very high	98.2	Very high	85 Å²	85	58.3 Å²	58.3	59%	0.594	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-0.7	-176.5	54	0	0	0	0	114.3	S240 T241 M242	S240-S244 WeakPolarHBondContact O-CB 3.35Å; S240-S244 PolarHBondContact O-N 3.11Å; S240-S244 VanDerWaalsContact O-N 3.16Å; S240-S244 PolarHBondContact O-OG 2.98Å; T241-S244 PolarHBondContact O-N 3.09Å; T241-S244 PolarHBondContact O-OG 3.28Å; M242-S244 VanDerWaalsContact C-N 3.35Å
245	N	95.1	Very high	98.1	Very high	94 Å²	94	63.1 Å²	63.1	50%	0.503	39%	0.386	S	S	.	.			trans	-131.9	0	-175.6	-72.7	-92.1	0	0	0	112.6	W56 I93 K111 T241	W56-N245 HydrophobicContact CH2-CB 3.69Å; W56-N245 HydrophobicContact CZ2-CB 3.78Å; I93-N245 HydrophobicContact CD1-CB 4.48Å; K111-N245 PolarHBondContact NZ-O 3.03Å; K111-N245 PolarHBondContact NZ-OXT 2.89Å; T241-N245 PolarHBondContact O-N 2.9Å; T241-N245 PolarHBondContact O-ND2 3.44Å

Retrieved 245 of 245 residues in 295.3 ms (Link to these results)

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