A0A087YFU4_POEFO Loading...

Pirin

Transcriptional coregulator of NF-kappa-B which facilitates binding of NF-kappa-B proteins to target kappa-B genes in a redox-state-dependent manner. May be required for efficient terminal myeloid maturation of hematopoietic cells. Has quercetin 2,3-dioxygenase activity (in vitro).

AlphaFold DB , UniProt , Accession A0A087YFU4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 300 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	50.6	Low	235 Å²	235	155.5 Å²	155.5	100%	1.158	80%	0.8	S	S	*	*				0	96.6	0	-153.2	151	81.9	0	0	107.5
2	C	34.2	Very low	54.4	Low	127 Å²	127	151.3 Å²	151.3	86%	0.858	78%	0.778	S	S	*	*			trans	-130.7	91.7	177.2	-134.3	0	0	0	0	107.2	V4	C2-V4 PolarHBondContact O-N 3.02Å
3	L	36.9	Very low	57.7	Low	157 Å²	157	142.8 Å²	142.8	82%	0.822	74%	0.737	S	S	*	*			trans	-75.9	99.7	171.6	-90.5	134.3	0	0	0	107.4	K5	L3-K5 PolarHBondContact O-N 3.22Å
4	V	38.5	Very low	60.5	Low	108 Å²	108	132.8 Å²	132.8	66%	0.655	69%	0.685	S	S	*	*			trans	-66.6	100.2	164.5	-177.8	0	0	0	0	106.5	C2 F6	C2-V4 PolarHBondContact O-N 3.02Å; V4-F6 VanDerWaalsContact C-N 3.35Å; V4-F6 HydrophobicContact CG1-CD2 4.2Å; V4-F6 HydrophobicContact CG1-CE2 4.07Å; V4-F6 PolarHBondContact O-N 2.99Å
5	K	37.5	Very low	62.9	Low	194 Å²	194	130.8 Å²	130.8	84%	0.843	67%	0.669	S	S	*	*			trans	-66.5	96.9	167.5	-81.1	-179.2	175.4	178.5	0	107.5	L3 C7	L3-K5 PolarHBondContact O-N 3.22Å; K5-C7 VanDerWaalsContact C-N 3.34Å; K5-C7 PolarHBondContact O-N 2.99Å
6	F	37.9	Very low	65	Low	179 Å²	179	124.6 Å²	124.6	79%	0.785	64%	0.638	S	S	*	*			trans	-63.1	101.4	159	-80.6	-88.8	0	0	0	107.1	V4 T8	V4-F6 VanDerWaalsContact C-N 3.35Å; V4-F6 HydrophobicContact CG1-CD2 4.2Å; V4-F6 HydrophobicContact CG1-CE2 4.07Å; V4-F6 PolarHBondContact O-N 2.99Å; F6-T8 VanDerWaalsContact C-N 3.27Å; F6-T8 PolarHBondContact O-N 2.99Å
7	C	37.8	Very low	66.8	Low	126 Å²	126	124.8 Å²	124.8	85%	0.851	64%	0.64	S	S	*	*			trans	-71.9	90.3	167.8	-165.9	0	0	0	0	106.6	K5 K9	K5-C7 VanDerWaalsContact C-N 3.34Å; K5-C7 PolarHBondContact O-N 2.99Å; C7-K9 PolarHBondContact O-N 3.04Å
8	T	55.8	Low	68.5	Low	127 Å²	127	123.1 Å²	123.1	78%	0.779	63%	0.627	S	S	*	*			trans	-67.2	98.9	168.9	38.7	0	0	0	0	107.1	F6 K10	F6-T8 VanDerWaalsContact C-N 3.27Å; F6-T8 PolarHBondContact O-N 2.99Å; T8-K10 PolarHBondContact O-N 2.99Å
9	K	66.1	Low	70	Confident	166 Å²	166	119.7 Å²	119.7	72%	0.722	61%	0.613	S	S	*	*			trans	-52.5	117.5	171.7	-171.3	-177.3	177.9	-164.8	0	107.1	C7 M11	C7-K9 PolarHBondContact O-N 3.04Å; K9-M11 PolarHBondContact O-N 3.48Å; K9-M11 VanDerWaalsContact O-N 3.12Å
10	K	81.9	Confident	71.4	Confident	193 Å²	193	114.2 Å²	114.2	84%	0.839	59%	0.585	S	S	*	*			trans	-62.5	115.4	178	-170.1	179.8	-177	-177.7	0	107.4	T8 I12	T8-K10 PolarHBondContact O-N 2.99Å; K10-I12 PolarHBondContact O-N 3.12Å
11	M	90.5	Very high	72.7	Confident	98 Å²	98	113.1 Å²	113.1	48%	0.483	58%	0.58	S	S	.	*			trans	-62.7	134.3	177.6	-66.6	-170.1	-55.9	0	0	110	K9 V191 D232 C233	K9-M11 PolarHBondContact O-N 3.48Å; K9-M11 VanDerWaalsContact O-N 3.12Å; M11-V191 HydrophobicContact CE-CG1 3.86Å; M11-D232 HydrophobicContact CB-CB 4.04Å; M11-D232 HydrophobicContact CG-CB 4.31Å; M11-C233 HydrophobicContact CE-CB 4.38Å; M11-C233 HydrophobicContact SD-CB 4.36Å
12	I	95.8	Very high	75.5	Confident	106 Å²	106	102 Å²	102	54%	0.544	53%	0.525	S	S	.	.			trans	-84	114.8	175	-59.6	172.4	0	0	0	108.3	K10 G231 D232 C233	K10-I12 PolarHBondContact O-N 3.12Å; I12-G231 CarbonylContact O-C 3.36Å; I12-D232 PolarHBondContact N-OD2 3.22Å; I12-D232 PolarHBondContact O-N 3.38Å; I12-C233 PolarHBondContact O-N 2.84Å
13	V	97.4	Very high	78.4	Confident	40 Å²	40	99 Å²	99	24%	0.242	50%	0.503	C	S	.	.	B	Isolated β-bridge	trans	-74.7	127.3	176	-177.1	0	0	0	0	109.4	P213 R235	V13-P213 HydrophobicContact CB-CB 4.41Å; V13-P213 HydrophobicContact CB-CG 4.21Å; V13-P213 HydrophobicContact CG1-CB 4.34Å; V13-P213 HydrophobicContact CG1-CG 4.05Å; V13-R235 HydrophobicContact CG1-CB 3.67Å
14	R	97.7	Very high	81.3	Confident	3 Å²	3	96.5 Å²	96.5	1%	0.011	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-64.6	136	178.6	-67.7	175.8	174.5	-112.9	10.5	111.4	P195 W198 T200 F228 G229 D230 G231 C233 V234	R14-P195 PolarHBondContact NH2-O 2.87Å; R14-W198 PolarHBondContact NH1-O 3.15Å; R14-W198 PolarHBondContact NH2-O 2.93Å; R14-W198 VanDerWaalsContact NH2-O 3.14Å; R14-T200 VanDerWaalsContact CZ-OG1 3.29Å; R14-T200 PolarHBondContact NH1-OG1 3.17Å; R14-T200 VanDerWaalsContact NH1-OG1 3.16Å; R14-F228 HydrophobicContact CB-CB 3.99Å; R14-F228 HydrophobicContact CB-CD1 4.1Å; R14-F228 HydrophobicContact CB-CG 4.33Å; R14-G229 WeakPolarHBondContact CD-O 3.45Å; R14-G229 WeakPolarHBondContact CG-O 3.25Å; R14-G229 PolarHBondContact NH1-O 3.33Å; R14-D230 IonicContact CZ-OD1 3.76Å; R14-D230 IonicContact NH1-OD1 2.89Å; R14-D230 IonicContact NH2-OD1 3.63Å; R14-G231 VanDerWaalsContact CZ-O 3.26Å; R14-G231 PolarHBondContact NE-O 3.49Å; R14-G231 PolarHBondContact NH2-O 2.9Å; R14-G231 VanDerWaalsContact NH2-O 3.11Å; R14-C233 WeakPolarHBondContact CB-O 3.48Å; R14-C233 WeakPolarHBondContact CG-O 3.36Å; R14-C233 PolarHBondContact N-O 2.79Å; R14-V234 HydrophobicContact CB-CG2 4.44Å
15	K	96.8	Very high	84	Confident	103 Å²	103	94 Å²	94	45%	0.448	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-90.8	152.2	173.4	-63.5	-171.5	175	-147.9	0	110.7	P213 E216 F228 G229	K15-P213 HydrophobicContact CG-CG 3.96Å; K15-E216 WeakPolarHBondContact CE-OE1 3.47Å; K15-E216 WeakPolarHBondContact CE-OE2 3.45Å; K15-E216 IonicContact NZ-OE1 3.71Å; K15-E216 PolarHBondContact NZ-OE1 3.19Å; K15-E216 IonicContact NZ-OE2 3.02Å; K15-E216 PolarHBondContact NZ-OE2 2.71Å; K15-F228 CarbonylContact O-C 3.58Å; K15-F228 WeakPolarHBondContact O-CA 3.37Å; K15-G229 PolarHBondContact O-N 2.82Å
16	L	96.1	Very high	86.8	Confident	31 Å²	31	88.5 Å²	88.5	16%	0.162	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	134.8	171.7	-58.3	76.7	0	0	0	108.9	V211 Q218 V226 F228	L16-V211 HydrophobicContact CD1-CG2 4.03Å; L16-V211 WeakPolarHBondContact CD1-O 3.27Å; L16-V211 HydrophobicContact CD2-CG2 3.64Å; L16-V211 HydrophobicContact CG-CG2 3.93Å; L16-Q218 HydrophobicContact CD2-CB 4.02Å; L16-Q218 HydrophobicContact CD2-CG 4.37Å; L16-V226 HydrophobicContact CB-CG1 4.21Å; L16-V226 HydrophobicContact CD2-CG1 3.54Å; L16-V226 HydrophobicContact CG-CG1 3.67Å; L16-F228 HydrophobicContact CD1-CE1 4.42Å; L16-F228 HydrophobicContact CG-CE1 4.14Å
17	L	96.1	Very high	89.5	Confident	128 Å²	128	82.8 Å²	82.8	67%	0.67	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	-37	171.3	-66.7	-178.8	0	0	0	111.7	V227 G229	L17-V227 PolarHBondContact N-O 3Å; L17-G229 VanDerWaalsContact CD1-CA 3.48Å
18	K	96.3	Very high	92.1	Very high	95 Å²	95	79.4 Å²	79.4	41%	0.413	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	142.3	-173.5	-166.8	175.1	-172.5	169.5	0	110.9	V20 E41 V226 V227	K18-V20 HydrophobicContact CD-CG2 3.94Å; K18-V20 HydrophobicContact CG-CG2 3.92Å; K18-E41 PolarHBondContact NZ-O 2.73Å; K18-V226 CarbonylContact O-C 3.56Å; K18-V226 WeakPolarHBondContact O-CA 3.1Å; K18-V227 HydrophobicContact CB-CB 4.25Å; K18-V227 PolarHBondContact N-O 2.83Å; K18-V227 PolarHBondContact O-N 3.06Å
19	T	97.8	Very high	93.8	Very high	59 Å²	59	75.8 Å²	75.8	36%	0.362	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.6	169.7	-55.8	0	0	0	0	108.4	V220 H224 T225 V226	T19-V220 HydrophobicContact CG2-CG1 4.46Å; T19-H224 HydrophobicContact CG2-CB 3.98Å; T19-T225 CarbonylContact C-O 3.57Å; T19-T225 VanDerWaalsContact CA-O 3.32Å; T19-T225 WeakPolarHBondContact CA-O 3.5Å; T19-V226 HydrophobicContact CG2-CG2 4.26Å
20	V	97.9	Very high	95	Very high	8 Å²	8	71 Å²	71	5%	0.048	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.4	-176.3	-176.8	0	0	0	0	109	K18 E41 L42 H224 T225	K18-V20 HydrophobicContact CD-CG2 3.94Å; K18-V20 HydrophobicContact CG-CG2 3.92Å; V20-E41 HydrophobicContact CG1-CB 4.15Å; V20-L42 HydrophobicContact CG2-CB 4.46Å; V20-L42 HydrophobicContact CG2-CD2 4.43Å; V20-H224 CarbonylContact O-C 3.55Å; V20-H224 WeakPolarHBondContact O-CA 3.32Å; V20-T225 PolarHBondContact N-O 3.07Å; V20-T225 PolarHBondContact O-N 3.22Å
21	L	98.3	Very high	95.6	Very high	92 Å²	92	61.8 Å²	61.8	48%	0.482	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	133.3	170.7	178.1	65	0	0	0	109.7	H223	L21-H223 HydrophobicContact CD1-CB 4.4Å
22	S	97.9	Very high	95.8	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.007	36%	0.36	C	S	.	.			trans	-88.6	129.5	176.5	-50.2	0	0	0	0	109.1	R35 S36 Y203 H223	S22-R35 WeakPolarHBondContact CA-O 3.2Å; S22-R35 VanDerWaalsContact CB-O 3.31Å; S22-R35 WeakPolarHBondContact CB-O 3.49Å; S22-S36 WeakPolarHBondContact OG-CB 3.3Å; S22-S36 PolarHBondContact OG-OG 2.86Å; S22-Y203 VanDerWaalsContact OG-CE2 3.3Å; S22-Y203 WeakPolarHBondContact OG-CE2 3.45Å; S22-H223 VanDerWaalsContact CB-O 3.27Å; S22-H223 WeakPolarHBondContact CB-O 3.35Å; S22-H223 PolarHBondContact N-O 2.99Å; S22-H223 PolarHBondContact OG-O 3.01Å; S22-H223 VanDerWaalsContact OG-O 3.08Å
23	V	95.9	Very high	95.9	Very high	64 Å²	64	56.3 Å²	56.3	39%	0.388	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.3	-172.9	-172.5	0	0	0	0	108.9	R34 R35	V23-R34 WeakPolarHBondContact O-CA 3.45Å; V23-R35 PolarHBondContact N-O 3.11Å; V23-R35 PolarHBondContact O-N 2.75Å
24	E	96.7	Very high	95.9	Very high	106 Å²	106	57.8 Å²	57.8	50%	0.495	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	138.3	176.5	-69.7	-178.2	155.4	0	0	111.5	V33 R34	E24-V33 CarbonylContact C-O 3.55Å; E24-V33 VanDerWaalsContact CA-O 3.24Å; E24-V33 WeakPolarHBondContact CA-O 3.32Å; E24-R34 HydrophobicContact CG-CG 3.54Å; E24-R34 IonicContact OE1-CZ 3.79Å; E24-R34 VanDerWaalsContact OE1-CZ 3.28Å; E24-R34 IonicContact OE1-NE 3.13Å; E24-R34 PolarHBondContact OE1-NE 2.69Å; E24-R34 IonicContact OE1-NH2 3.78Å; E24-R34 PolarHBondContact OE1-NH2 3.21Å; E24-R34 IonicContact OE2-NH2 3.11Å
25	Q	96.4	Very high	96	Very high	56 Å²	56	59.2 Å²	59.2	26%	0.262	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	154.8	172.1	59.8	-179.4	74.5	0	0	110.3	E27 V33 R35	Q25-E27 PolarHBondContact NE2-OE1 3.15Å; Q25-V33 HydrophobicContact CG-CG2 3.81Å; Q25-V33 PolarHBondContact N-O 3.17Å; Q25-V33 PolarHBondContact O-N 2.93Å; Q25-R35 HydrophobicContact CG-CB 4.24Å
26	A	95.7	Very high	96	Very high	77 Å²	77	54.3 Å²	54.3	64%	0.636	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	137	174.5	0	0	0	0	0	110.6	A31 L32	A26-A31 WeakPolarHBondContact CA-O 3.37Å; A26-L32 HydrophobicContact CB-CD2 4.49Å
27	E	94.5	Very high	96.1	Very high	60 Å²	60	52.9 Å²	52.9	28%	0.28	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	167	174.8	-71.8	-65.6	166.3	0	0	109.8	Q25 A29 A31 V33 R35 F62	Q25-E27 PolarHBondContact NE2-OE1 3.15Å; E27-A29 PolarHBondContact O-N 3.23Å; E27-A31 PolarHBondContact N-O 2.94Å; E27-A31 WeakPolarHBondContact O-CB 3.32Å; E27-A31 PolarHBondContact O-N 2.94Å; E27-A31 VanDerWaalsContact O-N 3.11Å; E27-V33 HydrophobicContact CB-CG1 4.39Å; E27-V33 HydrophobicContact CB-CG2 4.24Å; E27-V33 HydrophobicContact CG-CG2 3.54Å; E27-R35 IonicContact OE1-CZ 3.02Å; E27-R35 IonicContact OE1-NH1 3.85Å; E27-R35 PolarHBondContact OE1-NH1 2.83Å; E27-R35 IonicContact OE1-NH2 3.76Å; E27-R35 PolarHBondContact OE1-NH2 3.22Å; E27-R35 IonicContact OE2-NH2 3.87Å; E27-F62 HydrophobicContact CB-CE1 3.95Å
28	G	92.1	Very high	96.1	Very high	54 Å²	54	48.3 Å²	48.3	56%	0.557	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	-135.9	178.2	0	0	0	0	0	112.7
29	A	92.6	Very high	96	Very high	51 Å²	51	46.2 Å²	46.2	42%	0.421	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-105.5	90.9	173.6	0	0	0	0	0	109.8	E27 A31 A60 G61 P63	E27-A29 PolarHBondContact O-N 3.23Å; A29-A31 PolarHBondContact O-N 3.38Å; A29-A60 WeakPolarHBondContact O-CA 3.37Å; A29-A60 VanDerWaalsContact O-CB 3.26Å; A29-A60 WeakPolarHBondContact O-CB 3.39Å; A29-G61 PolarHBondContact N-O 2.94Å; A29-G61 PolarHBondContact O-N 2.87Å; A29-G61 VanDerWaalsContact O-N 3.16Å; A29-P63 HydrophobicContact CB-CG 3.97Å
30	G	91.3	Very high	95.9	Very high	65 Å²	65	51.6 Å²	51.6	67%	0.67	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	10.1	175.3	0	0	0	0	0	115.2	A60	G30-A60 VanDerWaalsContact C-CB 3.47Å; G30-A60 WeakPolarHBondContact O-CB 3.34Å
31	A	94.3	Very high	95.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	145.3	177.2	0	0	0	0	0	110.6	A26 E27 A29 V56 F62	A26-A31 WeakPolarHBondContact CA-O 3.37Å; E27-A31 PolarHBondContact N-O 2.94Å; E27-A31 WeakPolarHBondContact O-CB 3.32Å; E27-A31 PolarHBondContact O-N 2.94Å; E27-A31 VanDerWaalsContact O-N 3.11Å; A29-A31 PolarHBondContact O-N 3.38Å; A31-V56 HydrophobicContact CB-CB 4.47Å; A31-V56 HydrophobicContact CB-CG1 3.77Å; A31-V56 HydrophobicContact CB-CG2 3.78Å; A31-F62 HydrophobicContact CB-CE1 4.06Å; A31-F62 HydrophobicContact CB-CE2 4.38Å; A31-F62 HydrophobicContact CB-CZ 3.87Å
32	L	94.5	Very high	95.6	Very high	89 Å²	89	51.6 Å²	51.6	47%	0.466	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.2	171.4	-66.2	178.1	0	0	0	109.4	A26 K55	A26-L32 HydrophobicContact CB-CD2 4.49Å; L32-K55 PolarHBondContact O-N 3.34Å
33	V	97.4	Very high	95.3	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.2	175.8	-54.6	0	0	0	0	110.2	E24 Q25 E27 D52 E53 F54 F62	E24-V33 CarbonylContact C-O 3.55Å; E24-V33 VanDerWaalsContact CA-O 3.24Å; E24-V33 WeakPolarHBondContact CA-O 3.32Å; Q25-V33 HydrophobicContact CG-CG2 3.81Å; Q25-V33 PolarHBondContact N-O 3.17Å; Q25-V33 PolarHBondContact O-N 2.93Å; E27-V33 HydrophobicContact CB-CG1 4.39Å; E27-V33 HydrophobicContact CB-CG2 4.24Å; E27-V33 HydrophobicContact CG-CG2 3.54Å; V33-D52 HydrophobicContact CB-CB 4.04Å; V33-D52 HydrophobicContact CG1-CB 4.41Å; V33-D52 HydrophobicContact CG2-CB 4.37Å; V33-E53 CarbonylContact C-O 3.49Å; V33-E53 WeakPolarHBondContact CA-O 3.35Å; V33-F54 HydrophobicContact CG1-CB 3.85Å; V33-F62 HydrophobicContact CG1-CE1 4.39Å; V33-F62 HydrophobicContact CG1-CZ 3.89Å
34	R	98.4	Very high	95	Very high	70 Å²	70	60.7 Å²	60.7	26%	0.264	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	101.1	165.2	-67.7	174.8	-178.2	-90.8	-7.4	107.5	V23 E24 E53	V23-R34 WeakPolarHBondContact O-CA 3.45Å; E24-R34 HydrophobicContact CG-CG 3.54Å; E24-R34 IonicContact OE1-CZ 3.79Å; E24-R34 VanDerWaalsContact OE1-CZ 3.28Å; E24-R34 IonicContact OE1-NE 3.13Å; E24-R34 PolarHBondContact OE1-NE 2.69Å; E24-R34 IonicContact OE1-NH2 3.78Å; E24-R34 PolarHBondContact OE1-NH2 3.21Å; E24-R34 IonicContact OE2-NH2 3.11Å; R34-E53 HydrophobicContact CB-CB 4.27Å; R34-E53 PolarHBondContact N-O 2.79Å; R34-E53 PolarHBondContact O-N 3.45Å
35	R	98.4	Very high	95	Very high	34 Å²	34	57 Å²	57	13%	0.128	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	138	178.8	-172.1	157.5	-70.6	159.8	5.6	110.7	S22 V23 Q25 E27 I37 R39 D52	S22-R35 WeakPolarHBondContact CA-O 3.2Å; S22-R35 VanDerWaalsContact CB-O 3.31Å; S22-R35 WeakPolarHBondContact CB-O 3.49Å; V23-R35 PolarHBondContact N-O 3.11Å; V23-R35 PolarHBondContact O-N 2.75Å; Q25-R35 HydrophobicContact CG-CB 4.24Å; E27-R35 IonicContact OE1-CZ 3.02Å; E27-R35 IonicContact OE1-NH1 3.85Å; E27-R35 PolarHBondContact OE1-NH1 2.83Å; E27-R35 IonicContact OE1-NH2 3.76Å; E27-R35 PolarHBondContact OE1-NH2 3.22Å; E27-R35 IonicContact OE2-NH2 3.87Å; R35-I37 WeakPolarHBondContact CG-O 3.19Å; R35-R39 HydrophobicContact CB-CG 4.15Å; R35-R39 HydrophobicContact CG-CG 3.92Å; R35-R39 WeakPolarHBondContact O-CD 3.46Å; R35-D52 WeakPolarHBondContact CA-OD1 3.46Å; R35-D52 WeakPolarHBondContact CB-OD1 3.46Å; R35-D52 WeakPolarHBondContact CG-OD1 3.45Å; R35-D52 IonicContact CZ-OD1 2.74Å; R35-D52 IonicContact CZ-OD2 3.22Å; R35-D52 IonicContact NE-OD1 2.83Å; R35-D52 PolarHBondContact NE-OD1 2.92Å; R35-D52 IonicContact NE-OD2 3.68Å; R35-D52 PolarHBondContact NE-OD2 3.33Å; R35-D52 IonicContact NH2-OD1 3.82Å; R35-D52 IonicContact NH2-OD2 2.69Å; R35-D52 PolarHBondContact NH2-OD2 2.95Å
36	S	96.5	Very high	95.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.315	C	S	.	.			trans	-116	-82.3	174.7	-149	0	0	0	0	112.1	S22 R39 L51 T225	S22-S36 WeakPolarHBondContact OG-CB 3.3Å; S22-S36 PolarHBondContact OG-OG 2.86Å; S36-R39 WeakPolarHBondContact O-CB 3.14Å; S36-R39 VanDerWaalsContact O-CG 3.3Å; S36-R39 WeakPolarHBondContact O-CG 3.45Å; S36-R39 PolarHBondContact O-N 2.87Å; S36-L51 PolarHBondContact N-O 3.14Å; S36-T225 WeakPolarHBondContact CB-OG1 3.21Å; S36-T225 WeakPolarHBondContact OG-CB 3.32Å; S36-T225 PolarHBondContact OG-OG1 2.97Å
37	I	98.1	Very high	95.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	140	168.9	-54.9	171.5	0	0	0	107.4	R35 L42 L45 F48 L50 L51 F201	R35-I37 WeakPolarHBondContact CG-O 3.19Å; I37-L42 CarbonylContact C-O 3.49Å; I37-L42 WeakPolarHBondContact CA-O 3.39Å; I37-L42 HydrophobicContact CG1-CD2 3.75Å; I37-L42 HydrophobicContact CG1-CG 4.28Å; I37-L45 HydrophobicContact CD1-CB 4.29Å; I37-L45 HydrophobicContact CD1-CD2 4.43Å; I37-L45 HydrophobicContact CG2-CB 4.37Å; I37-F48 HydrophobicContact CD1-CB 3.85Å; I37-L50 WeakPolarHBondContact O-CA 3.49Å; I37-L51 HydrophobicContact CB-CB 4.17Å; I37-L51 HydrophobicContact CD1-CB 4.26Å; I37-L51 HydrophobicContact CG1-CB 4.25Å; I37-L51 PolarHBondContact O-N 2.83Å; I37-L51 VanDerWaalsContact O-N 3.14Å; I37-F201 HydrophobicContact CD1-CD1 4.12Å; I37-F201 HydrophobicContact CD1-CE1 3.61Å; I37-F201 HydrophobicContact CD1-CE2 4.09Å; I37-F201 HydrophobicContact CD1-CZ 3.58Å
38	G	96.3	Very high	95.5	Very high	33 Å²	33	49.6 Å²	49.6	34%	0.34	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.6	-9.9	-171.8	0	0	0	0	0	113.4	L42 R43	G38-L42 PolarHBondContact N-O 2.99Å; G38-R43 VanDerWaalsContact CA-O 3.26Å; G38-R43 WeakPolarHBondContact CA-O 3.4Å; G38-R43 PolarHBondContact N-O 3.16Å
39	R	95.8	Very high	95.8	Very high	50 Å²	50	47.1 Å²	47.1	19%	0.189	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-79.6	164.5	174.6	-67.1	-173.4	61.1	90.3	-6.1	112.6	R35 S36 E41 L42 R43	R35-R39 HydrophobicContact CB-CG 4.15Å; R35-R39 HydrophobicContact CG-CG 3.92Å; R35-R39 WeakPolarHBondContact O-CD 3.46Å; S36-R39 WeakPolarHBondContact O-CB 3.14Å; S36-R39 VanDerWaalsContact O-CG 3.3Å; S36-R39 WeakPolarHBondContact O-CG 3.45Å; S36-R39 PolarHBondContact O-N 2.87Å; R39-E41 WeakPolarHBondContact CB-OE2 3.41Å; R39-E41 IonicContact CZ-OE2 3.7Å; R39-E41 IonicContact NE-OE2 3.28Å; R39-E41 PolarHBondContact NE-OE2 2.87Å; R39-E41 IonicContact NH2-OE2 3.37Å; R39-E41 PolarHBondContact O-N 3.08Å; R39-E41 VanDerWaalsContact O-N 3.17Å; R39-L42 CarbonylContact O-C 3.5Å; R39-L42 PolarHBondContact O-N 2.89Å; R39-R43 WeakPolarHBondContact O-CA 3.43Å; R39-R43 WeakPolarHBondContact O-CG 3.42Å; R39-R43 PolarHBondContact O-N 3.03Å
40	K	94.3	Very high	96.1	Very high	173 Å²	173	45.1 Å²	45.1	75%	0.752	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-37.5	174.2	-175.4	-179.3	176.2	-176	0	112.3	L42	K40-L42 VanDerWaalsContact C-N 3.32Å
41	E	94.9	Very high	96.4	Very high	87 Å²	87	42 Å²	42	41%	0.407	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-23.1	-179.6	-57.1	76.1	-158.7	0	0	112.8	K18 V20 R39	K18-E41 PolarHBondContact NZ-O 2.73Å; V20-E41 HydrophobicContact CG1-CB 4.15Å; R39-E41 WeakPolarHBondContact CB-OE2 3.41Å; R39-E41 IonicContact CZ-OE2 3.7Å; R39-E41 IonicContact NE-OE2 3.28Å; R39-E41 PolarHBondContact NE-OE2 2.87Å; R39-E41 IonicContact NH2-OE2 3.37Å; R39-E41 PolarHBondContact O-N 3.08Å; R39-E41 VanDerWaalsContact O-N 3.17Å
42	L	95.1	Very high	96.6	Very high	13 Å²	13	42.5 Å²	42.5	7%	0.068	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-148.5	64.5	-176.3	-166.8	61.9	0	0	0	109.8	V20 I37 G38 R39 K40 N44 L45 T225 V227	V20-L42 HydrophobicContact CG2-CB 4.46Å; V20-L42 HydrophobicContact CG2-CD2 4.43Å; I37-L42 CarbonylContact C-O 3.49Å; I37-L42 WeakPolarHBondContact CA-O 3.39Å; I37-L42 HydrophobicContact CG1-CD2 3.75Å; I37-L42 HydrophobicContact CG1-CG 4.28Å; G38-L42 PolarHBondContact N-O 2.99Å; R39-L42 CarbonylContact O-C 3.5Å; R39-L42 PolarHBondContact O-N 2.89Å; K40-L42 VanDerWaalsContact C-N 3.32Å; L42-N44 VanDerWaalsContact C-N 3.31Å; L42-N44 PolarHBondContact O-N 3.08Å; L42-L45 HydrophobicContact CD1-CD1 4.18Å; L42-T225 HydrophobicContact CD2-CG2 3.81Å; L42-V227 HydrophobicContact CD1-CG2 4.08Å; L42-V227 HydrophobicContact CD2-CG2 4.07Å
43	R	92.1	Very high	96.9	Very high	183 Å²	183	39.4 Å²	39.4	69%	0.691	18%	0.181	S	C	*	.	S	Bend	trans	-56.6	-43.8	-166.8	-75.2	-173.4	174.2	-166.6	-3.6	113.3	G38 R39	G38-R43 VanDerWaalsContact CA-O 3.26Å; G38-R43 WeakPolarHBondContact CA-O 3.4Å; G38-R43 PolarHBondContact N-O 3.16Å; R39-R43 WeakPolarHBondContact O-CA 3.43Å; R39-R43 WeakPolarHBondContact O-CG 3.42Å; R39-R43 PolarHBondContact O-N 3.03Å
44	N	89.8	Confident	96.9	Very high	72 Å²	72	39.7 Å²	39.7	39%	0.385	18%	0.183	S	C	.	.			trans	-154.2	164.4	169.3	54.8	25.9	0	0	0	107.5	L42	L42-N44 VanDerWaalsContact C-N 3.31Å; L42-N44 PolarHBondContact O-N 3.08Å
45	L	97.2	Very high	96.8	Very high	28 Å²	28	43.1 Å²	43.1	15%	0.147	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-143.1	76.5	178.5	-167.1	74.4	0	0	0	107.4	I37 L42 F48 T199 F201 V227	I37-L45 HydrophobicContact CD1-CB 4.29Å; I37-L45 HydrophobicContact CD1-CD2 4.43Å; I37-L45 HydrophobicContact CG2-CB 4.37Å; L42-L45 HydrophobicContact CD1-CD1 4.18Å; L45-F48 CarbonylContact C-O 3.54Å; L45-F48 PolarHBondContact N-O 3.43Å; L45-F48 WeakPolarHBondContact O-CA 3.3Å; L45-F48 WeakPolarHBondContact O-CB 3.49Å; L45-F48 VanDerWaalsContact O-CD2 3.29Å; L45-F48 WeakPolarHBondContact O-CD2 3.22Å; L45-F48 PolarHBondContact O-N 3.05Å; L45-T199 HydrophobicContact CB-CG2 4.42Å; L45-T199 HydrophobicContact CD1-CG2 4.33Å; L45-T199 HydrophobicContact CD2-CG2 3.56Å; L45-T199 HydrophobicContact CG-CG2 3.44Å; L45-T199 VanDerWaalsContact CG-CG2 3.44Å; L45-F201 HydrophobicContact CD2-CB 4.22Å; L45-F201 HydrophobicContact CD2-CD1 3.78Å; L45-F201 HydrophobicContact CD2-CG 4.27Å; L45-V227 HydrophobicContact CD1-CG1 3.93Å; L45-V227 HydrophobicContact CD1-CG2 4.49Å; L45-V227 HydrophobicContact CD2-CG1 4.17Å; L45-V227 HydrophobicContact CD2-CG2 4.14Å
46	D	98.5	Very high	96.8	Very high	38 Å²	38	41.6 Å²	41.6	20%	0.203	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.3	118.7	-172.5	-179.2	17.1	0	0	0	112	T199 I254 N255	D46-T199 WeakPolarHBondContact O-CB 3.35Å; D46-T199 WeakPolarHBondContact O-CG2 3.32Å; D46-T199 PolarHBondContact O-OG1 2.87Å; D46-I254 VanDerWaalsContact CG-N 3.33Å; D46-I254 PolarHBondContact OD1-N 3.14Å; D46-I254 PolarHBondContact OD2-N 2.92Å; D46-I254 VanDerWaalsContact OD2-N 3.1Å; D46-N255 PolarHBondContact OD2-N 3.12Å
47	P	98.7	Very high	96.8	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92	6.1	14.4	36.8	-37.5	0	0	0	116.8	N127 T175 E252 I254	P47-N127 WeakPolarHBondContact O-CB 3.26Å; P47-N127 PolarHBondContact O-N 2.93Å; P47-T175 HydrophobicContact CB-CG2 3.51Å; P47-T175 HydrophobicContact CG-CG2 3.76Å; P47-E252 WeakPolarHBondContact CG-O 3.14Å; P47-I254 HydrophobicContact CB-CD1 4.08Å; P47-I254 HydrophobicContact CB-CG1 4.14Å
48	F	98.9	Very high	96.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130	-173.5	-50	-66	0	0	0	111.8	I37 L45 L124 V126 T177 T199 F201 I249	I37-F48 HydrophobicContact CD1-CB 3.85Å; L45-F48 CarbonylContact C-O 3.54Å; L45-F48 PolarHBondContact N-O 3.43Å; L45-F48 WeakPolarHBondContact O-CA 3.3Å; L45-F48 WeakPolarHBondContact O-CB 3.49Å; L45-F48 VanDerWaalsContact O-CD2 3.29Å; L45-F48 WeakPolarHBondContact O-CD2 3.22Å; L45-F48 PolarHBondContact O-N 3.05Å; F48-L124 HydrophobicContact CB-CD1 4.33Å; F48-L124 HydrophobicContact CD1-CD1 3.85Å; F48-L124 HydrophobicContact CD1-CD2 3.96Å; F48-L124 HydrophobicContact CD1-CG 4.19Å; F48-L124 HydrophobicContact CE1-CD2 4.01Å; F48-L124 HydrophobicContact CG-CD1 4.33Å; F48-V126 HydrophobicContact CD1-CG2 4.19Å; F48-V126 HydrophobicContact CE1-CG2 4.23Å; F48-T177 HydrophobicContact CE1-CG2 4.06Å; F48-T177 HydrophobicContact CZ-CG2 4.32Å; F48-T199 HydrophobicContact CD2-CG2 3.9Å; F48-T199 HydrophobicContact CE2-CG2 3.94Å; F48-F201 HydrophobicContact CB-CE1 4.47Å; F48-F201 HydrophobicContact CD1-CE1 4.49Å; F48-F201 HydrophobicContact CD2-CD1 4.08Å; F48-F201 AromaticContact CD2-CE1 3.51Å; F48-F201 HydrophobicContact CD2-CE1 3.51Å; F48-F201 HydrophobicContact CE2-CD1 4.24Å; F48-F201 AromaticContact CE2-CE1 3.78Å; F48-F201 HydrophobicContact CE2-CE1 3.78Å; F48-F201 AromaticContact CG-CE1 3.89Å; F48-F201 HydrophobicContact CG-CE1 3.89Å; F48-F201 HydrophobicContact CZ-CE1 4.38Å; F48-I249 HydrophobicContact CD1-CG2 4.36Å; F48-I249 HydrophobicContact CE1-CG2 3.66Å; F48-I249 HydrophobicContact CE2-CG2 4.11Å; F48-I249 HydrophobicContact CZ-CG2 3.51Å
49	L	98.8	Very high	96.5	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-35.9	-174.3	-59.4	167.1	0	0	0	111.9	F70 W125 N127 V258 V265	L49-F70 HydrophobicContact CD1-CB 3.74Å; L49-F70 HydrophobicContact CD1-CD1 4.43Å; L49-F70 HydrophobicContact CD1-CD2 4.42Å; L49-F70 HydrophobicContact CD1-CG 3.97Å; L49-W125 HydrophobicContact CB-CB 3.9Å; L49-W125 HydrophobicContact CB-CE3 4.48Å; L49-W125 HydrophobicContact CD1-CB 4.45Å; L49-W125 PolarHBondContact N-O 3.39Å; L49-N127 HydrophobicContact CD1-CB 3.72Å; L49-N127 HydrophobicContact CD2-CB 3.98Å; L49-N127 HydrophobicContact CG-CB 3.82Å; L49-V258 HydrophobicContact CD2-CG1 3.7Å; L49-V265 HydrophobicContact CD1-CB 4.16Å; L49-V265 HydrophobicContact CD1-CG1 3.82Å; L49-V265 HydrophobicContact CD1-CG2 4.05Å; L49-V265 HydrophobicContact CD2-CG1 3.98Å
50	L	98.6	Very high	96.6	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.042	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	143.3	-173.6	179.4	153.6	0	0	0	109.5	I37 D52 L124 W125	I37-L50 WeakPolarHBondContact O-CA 3.49Å; L50-D52 HydrophobicContact CD2-CB 4.17Å; L50-L124 WeakPolarHBondContact O-CA 3.19Å; L50-W125 HydrophobicContact CB-CB 3.98Å; L50-W125 HydrophobicContact CB-CD2 3.91Å; L50-W125 HydrophobicContact CB-CE3 4.08Å; L50-W125 HydrophobicContact CB-CG 3.89Å; L50-W125 HydrophobicContact CD1-CD2 4.23Å; L50-W125 HydrophobicContact CD1-CE3 4.31Å; L50-W125 HydrophobicContact CD1-CH2 4.4Å; L50-W125 HydrophobicContact CD1-CZ2 4.3Å; L50-W125 HydrophobicContact CD1-CZ3 4.41Å; L50-W125 HydrophobicContact CD2-CD2 4.4Å; L50-W125 HydrophobicContact CD2-CG 4.28Å; L50-W125 HydrophobicContact CG-CD2 4.44Å; L50-W125 PolarHBondContact O-N 3.21Å
51	L	98.8	Very high	96.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	120.6	166.6	175.9	67.2	0	0	0	108.8	S36 I37 Q123 L124 F201 Y203	S36-L51 PolarHBondContact N-O 3.14Å; I37-L51 HydrophobicContact CB-CB 4.17Å; I37-L51 HydrophobicContact CD1-CB 4.26Å; I37-L51 HydrophobicContact CG1-CB 4.25Å; I37-L51 PolarHBondContact O-N 2.83Å; I37-L51 VanDerWaalsContact O-N 3.14Å; L51-Q123 WeakPolarHBondContact CA-O 3.28Å; L51-L124 HydrophobicContact CB-CD1 4.21Å; L51-L124 HydrophobicContact CD1-CB 4.17Å; L51-L124 HydrophobicContact CD1-CD1 4.1Å; L51-F201 HydrophobicContact CD2-CE2 3.61Å; L51-F201 HydrophobicContact CD2-CZ 4.12Å; L51-Y203 HydrophobicContact CD2-CD2 4.19Å; L51-Y203 HydrophobicContact CD2-CG 3.92Å
52	D	98.7	Very high	96.8	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.053	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.5	174.4	-76.4	-14.9	0	0	0	110.3	V33 R35 L50 L122 Q123	V33-D52 HydrophobicContact CB-CB 4.04Å; V33-D52 HydrophobicContact CG1-CB 4.41Å; V33-D52 HydrophobicContact CG2-CB 4.37Å; R35-D52 WeakPolarHBondContact CA-OD1 3.46Å; R35-D52 WeakPolarHBondContact CB-OD1 3.46Å; R35-D52 WeakPolarHBondContact CG-OD1 3.45Å; R35-D52 IonicContact CZ-OD1 2.74Å; R35-D52 IonicContact CZ-OD2 3.22Å; R35-D52 IonicContact NE-OD1 2.83Å; R35-D52 PolarHBondContact NE-OD1 2.92Å; R35-D52 IonicContact NE-OD2 3.68Å; R35-D52 PolarHBondContact NE-OD2 3.33Å; R35-D52 IonicContact NH2-OD1 3.82Å; R35-D52 IonicContact NH2-OD2 2.69Å; R35-D52 PolarHBondContact NH2-OD2 2.95Å; L50-D52 HydrophobicContact CD2-CB 4.17Å; D52-L122 CarbonylContact O-C 3.48Å; D52-L122 WeakPolarHBondContact O-CA 3.39Å; D52-Q123 PolarHBondContact N-O 2.95Å; D52-Q123 PolarHBondContact O-N 2.91Å
53	E	98.8	Very high	96.9	Very high	24 Å²	24	38.2 Å²	38.2	11%	0.112	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.7	156.1	177	-170.6	177.2	0	0	108	V33 R34 G121 L122 Y203 L205 H223	V33-E53 CarbonylContact C-O 3.49Å; V33-E53 WeakPolarHBondContact CA-O 3.35Å; R34-E53 HydrophobicContact CB-CB 4.27Å; R34-E53 PolarHBondContact N-O 2.79Å; R34-E53 PolarHBondContact O-N 3.45Å; E53-G121 WeakPolarHBondContact CA-O 3.37Å; E53-L122 HydrophobicContact CB-CD2 3.78Å; E53-L122 HydrophobicContact CG-CD2 4.21Å; E53-Y203 HydrophobicContact CB-CE1 3.82Å; E53-Y203 WeakPolarHBondContact CB-OH 3.46Å; E53-Y203 HydrophobicContact CG-CE1 4.37Å; E53-Y203 WeakPolarHBondContact OE2-CE1 3.14Å; E53-Y203 PolarHBondContact OE2-OH 3.21Å; E53-L205 HydrophobicContact CG-CD2 4.36Å; E53-H223 IonicContact OE1-CE1 2.82Å; E53-H223 IonicContact OE1-ND1 3.91Å; E53-H223 IonicContact OE2-CE1 3.36Å; E53-H223 IonicContact OE2-ND1 3.39Å; E53-H223 PolarHBondContact OE2-ND1 2.92Å
54	F	98.3	Very high	97.2	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.035	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.7	-178.9	64.2	-99.7	0	0	0	110.9	V33 V56 T74 V119 V120 G121 Q123	V33-F54 HydrophobicContact CG1-CB 3.85Å; F54-V56 HydrophobicContact CB-CG2 4.04Å; F54-V56 HydrophobicContact CD2-CG2 4.23Å; F54-T74 HydrophobicContact CE1-CG2 4.3Å; F54-T74 HydrophobicContact CZ-CG2 4.22Å; F54-V119 HydrophobicContact CD2-CG1 4.16Å; F54-V119 HydrophobicContact CE2-CB 4.39Å; F54-V119 HydrophobicContact CE2-CG1 3.82Å; F54-V119 HydrophobicContact CE2-CG2 3.88Å; F54-V120 VanDerWaalsContact O-CA 3.28Å; F54-V120 WeakPolarHBondContact O-CA 3.36Å; F54-G121 WeakPolarHBondContact CD1-O 3.45Å; F54-G121 VanDerWaalsContact CZ-CA 3.41Å; F54-G121 PolarHBondContact N-O 2.82Å; F54-G121 PolarHBondContact O-N 3.36Å; F54-Q123 HydrophobicContact CD1-CB 4.35Å; F54-Q123 HydrophobicContact CE1-CB 4.33Å
55	K	97.5	Very high	97.6	Very high	141 Å²	141	30.2 Å²	30.2	61%	0.613	16%	0.163	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	102.4	166.5	177.8	172.7	-179.6	-178	0	108	L32 P118 V119 V120	L32-K55 PolarHBondContact O-N 3.34Å; K55-P118 HydrophobicContact CG-CB 4.12Å; K55-V119 CarbonylContact C-O 3.48Å; K55-V119 VanDerWaalsContact CA-O 3.3Å; K55-V119 WeakPolarHBondContact CA-O 3.48Å; K55-V120 HydrophobicContact CB-CG2 4.31Å; K55-V120 HydrophobicContact CD-CG2 4.32Å; K55-V120 HydrophobicContact CG-CG2 3.98Å
56	V	97.3	Very high	97.6	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.6	-167.2	-167.4	0	0	0	0	110.3	A31 F54 A60 F62 P113 P118 V119	A31-V56 HydrophobicContact CB-CB 4.47Å; A31-V56 HydrophobicContact CB-CG1 3.77Å; A31-V56 HydrophobicContact CB-CG2 3.78Å; F54-V56 HydrophobicContact CB-CG2 4.04Å; F54-V56 HydrophobicContact CD2-CG2 4.23Å; V56-A60 HydrophobicContact CG1-CB 3.85Å; V56-A60 WeakPolarHBondContact CG1-O 3.42Å; V56-F62 HydrophobicContact CG2-CE2 4.21Å; V56-F62 HydrophobicContact CG2-CZ 4.44Å; V56-P113 HydrophobicContact CB-CG 4.01Å; V56-P113 HydrophobicContact CG1-CG 3.77Å; V56-P118 CarbonylContact O-C 3.53Å; V56-P118 VanDerWaalsContact O-CA 3.27Å; V56-P118 WeakPolarHBondContact O-CA 3.35Å; V56-V119 HydrophobicContact CB-CG1 4.22Å; V56-V119 PolarHBondContact N-O 2.65Å; V56-V119 WeakPolarHBondContact O-CG1 3.48Å; V56-V119 PolarHBondContact O-N 2.91Å
57	A	96.2	Very high	97.7	Very high	40 Å²	40	28 Å²	28	33%	0.331	15%	0.152	S	C	.	.			trans	-114.7	159.1	176.8	0	0	0	0	0	110	A60 P118	A57-A60 WeakPolarHBondContact O-CA 3.43Å; A57-A60 VanDerWaalsContact O-CB 3.3Å; A57-A60 WeakPolarHBondContact O-CB 3.39Å; A57-A60 PolarHBondContact O-N 3.19Å; A57-P118 HydrophobicContact CB-CB 4.1Å; A57-P118 HydrophobicContact CB-CG 4Å
58	K	94.8	Very high	97.7	Very high	65 Å²	65	28.1 Å²	28.1	28%	0.283	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	148.9	171.7	-67.1	-177.7	-171.3	167.8	0	111.6	A60 P113 V114 E116	K58-A60 VanDerWaalsContact C-N 3.28Å; K58-P113 WeakPolarHBondContact CE-O 3.37Å; K58-P113 HydrophobicContact CG-CB 4.36Å; K58-V114 VanDerWaalsContact CE-CA 3.46Å; K58-V114 VanDerWaalsContact CE-O 3.29Å; K58-V114 WeakPolarHBondContact CE-O 3.5Å; K58-V114 PolarHBondContact NZ-O 3.44Å; K58-E116 IonicContact NZ-OE1 2.91Å
59	P	94.6	Very high	97.7	Very high	92 Å²	92	28.1 Å²	28.1	60%	0.597	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.7	10.9	-3	37.2	-37.4	0	0	0	113
60	A	96.1	Very high	97.7	Very high	17 Å²	17	28 Å²	28	14%	0.14	15%	0.152	C	C	.	.			trans	-72.4	155.5	-178.7	0	0	0	0	0	111.9	A29 G30 V56 A57 K58 P113	A29-A60 WeakPolarHBondContact O-CA 3.37Å; A29-A60 VanDerWaalsContact O-CB 3.26Å; A29-A60 WeakPolarHBondContact O-CB 3.39Å; G30-A60 VanDerWaalsContact C-CB 3.47Å; G30-A60 WeakPolarHBondContact O-CB 3.34Å; V56-A60 HydrophobicContact CG1-CB 3.85Å; V56-A60 WeakPolarHBondContact CG1-O 3.42Å; A57-A60 WeakPolarHBondContact O-CA 3.43Å; A57-A60 VanDerWaalsContact O-CB 3.3Å; A57-A60 WeakPolarHBondContact O-CB 3.39Å; A57-A60 PolarHBondContact O-N 3.19Å; K58-A60 VanDerWaalsContact C-N 3.28Å; A60-P113 WeakPolarHBondContact O-CD 3.46Å; A60-P113 VanDerWaalsContact O-CG 3.3Å; A60-P113 WeakPolarHBondContact O-CG 3.4Å
61	G	96.3	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	172.2	-163.9	-179.3	0	0	0	0	0	113.1	A29 P63	A29-G61 PolarHBondContact N-O 2.94Å; A29-G61 PolarHBondContact O-N 2.87Å; A29-G61 VanDerWaalsContact O-N 3.16Å; G61-P63 WeakPolarHBondContact O-CD 3.49Å
62	F	97.7	Very high	97.7	Very high	29 Å²	29	27.6 Å²	27.6	13%	0.127	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	86.3	176.9	-52.8	-83.1	0	0	0	108.3	E27 A31 V33 V56 A110 E111 M112	E27-F62 HydrophobicContact CB-CE1 3.95Å; A31-F62 HydrophobicContact CB-CE1 4.06Å; A31-F62 HydrophobicContact CB-CE2 4.38Å; A31-F62 HydrophobicContact CB-CZ 3.87Å; V33-F62 HydrophobicContact CG1-CE1 4.39Å; V33-F62 HydrophobicContact CG1-CZ 3.89Å; V56-F62 HydrophobicContact CG2-CE2 4.21Å; V56-F62 HydrophobicContact CG2-CZ 4.44Å; F62-A110 CarbonylContact O-C 3.58Å; F62-A110 VanDerWaalsContact O-CA 3.32Å; F62-A110 WeakPolarHBondContact O-CA 3.36Å; F62-E111 HydrophobicContact CB-CB 4.3Å; F62-E111 HydrophobicContact CD2-CB 4.43Å; F62-E111 PolarHBondContact N-O 3.36Å; F62-E111 PolarHBondContact O-N 2.84Å; F62-M112 PolarHBondContact N-SD 3.1Å
63	P	97.5	Very high	97.7	Very high	42 Å²	42	27.1 Å²	27.1	27%	0.273	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-178.4	-179.5	31.4	-37.6	0	0	0	111.1	A29 G61 H65 M112 R297	A29-P63 HydrophobicContact CB-CG 3.97Å; G61-P63 WeakPolarHBondContact O-CD 3.49Å; P63-H65 PolarHBondContact O-N 2.9Å; P63-H65 PolarHBondContact O-ND1 3.04Å; P63-M112 HydrophobicContact CB-SD 4.5Å; P63-R297 HydrophobicContact CB-CB 3.86Å
64	D	98.1	Very high	97.7	Very high	44 Å²	44	26 Å²	26	24%	0.235	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-39.6	108.8	-177.1	-56.1	-6.1	0	0	0	113.3	H109 W292 R293 S294 R297	D64-H109 WeakPolarHBondContact CA-O 3.49Å; D64-W292 HydrophobicContact CB-CZ3 3.89Å; D64-R293 WeakPolarHBondContact OD2-CA 3.37Å; D64-S294 WeakPolarHBondContact OD1-CB 3.26Å; D64-S294 PolarHBondContact OD1-N 3.47Å; D64-S294 PolarHBondContact OD1-OG 3.16Å; D64-S294 PolarHBondContact OD2-N 2.84Å; D64-S294 VanDerWaalsContact OD2-N 3.11Å; D64-R297 VanDerWaalsContact OD2-CD 3.24Å; D64-R297 WeakPolarHBondContact OD2-CD 3.46Å; D64-R297 IonicContact OD2-NH1 3.62Å
65	H	98.1	Very high	97.7	Very high	43 Å²	43	26 Å²	26	20%	0.199	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	149.6	179.5	65.1	-80.1	0	0	0	111.3	P63 H67 V108 H109	P63-H65 PolarHBondContact O-N 2.9Å; P63-H65 PolarHBondContact O-ND1 3.04Å; H65-H67 AromaticContact CD2-CD2 3.92Å; H65-H67 AromaticContact CD2-CE1 3.59Å; H65-H67 AromaticContact CD2-NE2 3.12Å; H65-H67 PolarHBondContact CD2-NE2 2.84Å; H65-H67 AromaticContact NE2-CD2 3.92Å; H65-H67 AromaticContact NE2-CE1 3.72Å; H65-H67 AromaticContact NE2-NE2 2.96Å; H65-H67 PolarHBondContact NE2-NE2 3.26Å; H65-V108 WeakPolarHBondContact O-CA 3.28Å; H65-H109 AromaticContact CD2-NE2 3.97Å; H65-H109 AromaticContact CE1-CD2 3.67Å; H65-H109 AromaticContact CE1-NE2 3.48Å; H65-H109 PolarHBondContact CE1-NE2 3.07Å; H65-H109 PolarHBondContact N-O 3.07Å; H65-H109 PolarHBondContact ND1-O 2.67Å; H65-H109 AromaticContact NE2-CD2 3.63Å; H65-H109 AromaticContact NE2-NE2 3.17Å; H65-H109 PolarHBondContact NE2-NE2 2.75Å; H65-H109 VanDerWaalsContact NE2-NE2 3.17Å; H65-H109 PolarHBondContact O-N 3.31Å
66	P	98.5	Very high	97.8	Very high	15 Å²	15	19.2 Å²	19.2	10%	0.097	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	164.3	-178.8	35.8	-34.5	0	0	0	112.3	V107 V108 P263 F264 F279 F286	P66-V107 CarbonylContact C-O 3.56Å; P66-V107 WeakPolarHBondContact CA-O 3.23Å; P66-V108 HydrophobicContact CB-CG2 4.24Å; P66-P263 HydrophobicContact CG-CB 4.06Å; P66-P263 HydrophobicContact CG-CG 3.77Å; P66-P263 WeakPolarHBondContact O-CB 3.39Å; P66-F264 HydrophobicContact CB-CE1 3.97Å; P66-F264 HydrophobicContact CB-CZ 4.24Å; P66-F264 HydrophobicContact CG-CE1 4.01Å; P66-F264 HydrophobicContact CG-CZ 3.91Å; P66-F279 HydrophobicContact CB-CD2 3.88Å; P66-F279 HydrophobicContact CB-CE2 3.72Å; P66-F279 HydrophobicContact CB-CG 4.48Å; P66-F279 HydrophobicContact CB-CZ 4.17Å; P66-F279 HydrophobicContact CG-CD1 4.41Å; P66-F279 HydrophobicContact CG-CD2 4.23Å; P66-F279 HydrophobicContact CG-CE1 4.1Å; P66-F279 HydrophobicContact CG-CE2 3.92Å; P66-F279 HydrophobicContact CG-CG 4.47Å; P66-F279 HydrophobicContact CG-CZ 3.85Å; P66-F286 HydrophobicContact CB-CE1 4.07Å; P66-F286 HydrophobicContact CB-CZ 4.35Å
67	H	98.8	Very high	97.8	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.019	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	149.9	159.8	-65	-67.9	0	0	0	110.6	H65 F70 A103 G106 V107 H109 W125 P263	H65-H67 AromaticContact CD2-CD2 3.92Å; H65-H67 AromaticContact CD2-CE1 3.59Å; H65-H67 AromaticContact CD2-NE2 3.12Å; H65-H67 PolarHBondContact CD2-NE2 2.84Å; H65-H67 AromaticContact NE2-CD2 3.92Å; H65-H67 AromaticContact NE2-CE1 3.72Å; H65-H67 AromaticContact NE2-NE2 2.96Å; H65-H67 PolarHBondContact NE2-NE2 3.26Å; H67-F70 HydrophobicContact CB-CE1 4.42Å; H67-F70 HydrophobicContact CB-CZ 4Å; H67-F70 AromaticContact CG-CZ 3.93Å; H67-F70 AromaticContact ND1-CE2 3.87Å; H67-F70 AromaticContact ND1-CZ 3.3Å; H67-F70 VanDerWaalsContact ND1-CZ 3.3Å; H67-F70 WeakPolarHBondContact ND1-CZ 3.47Å; H67-A103 HydrophobicContact CB-CB 3.74Å; H67-G106 WeakPolarHBondContact O-CA 3.34Å; H67-V107 HydrophobicContact CB-CG1 4.05Å; H67-V107 PolarHBondContact N-O 3.34Å; H67-V107 PolarHBondContact O-N 3.37Å; H67-V107 VanDerWaalsContact O-N 3.11Å; H67-H109 AromaticContact CD2-CD2 3.79Å; H67-H109 AromaticContact CD2-NE2 3.21Å; H67-H109 PolarHBondContact CD2-NE2 3.44Å; H67-H109 AromaticContact NE2-NE2 3.24Å; H67-H109 PolarHBondContact NE2-NE2 2.66Å; H67-W125 AromaticContact CE1-CZ2 3.49Å; H67-W125 VanDerWaalsContact CE1-CZ2 3.49Å; H67-W125 WeakPolarHBondContact CE1-CZ2 3.42Å; H67-W125 AromaticContact ND1-CZ2 3.86Å; H67-P263 WeakPolarHBondContact CA-O 3.38Å
68	R	98.8	Very high	97.9	Very high	3 Å²	3	19.7 Å²	19.7	1%	0.011	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-149.4	139.4	169.9	179.6	-179.6	-77.9	-165.7	-5.8	112	F70 G104 R105 P263 F264 V265 M266 D278 N284 F286	R68-F70 WeakPolarHBondContact O-CD1 3.43Å; R68-F70 WeakPolarHBondContact O-CE1 3.37Å; R68-G104 WeakPolarHBondContact CA-O 3.07Å; R68-G104 WeakPolarHBondContact CG-O 3.25Å; R68-R105 PolarHBondContact NE-O 2.89Å; R68-R105 PolarHBondContact NH2-O 3.27Å; R68-P263 PolarHBondContact N-O 2.98Å; R68-P263 VanDerWaalsContact N-O 3.17Å; R68-F264 HydrophobicContact CB-CD1 3.79Å; R68-F264 HydrophobicContact CB-CE1 4.37Å; R68-V265 PolarHBondContact O-N 2.93Å; R68-V265 VanDerWaalsContact O-N 3.14Å; R68-M266 HydrophobicContact CG-SD 3.98Å; R68-D278 IonicContact CZ-OD2 2.73Å; R68-D278 IonicContact NH1-OD2 3.83Å; R68-D278 PolarHBondContact NH1-OD2 2.99Å; R68-D278 IonicContact NH2-OD2 3.01Å; R68-D278 PolarHBondContact NH2-OD2 3.41Å; R68-N284 PolarHBondContact NH2-O 2.94Å; R68-F286 HydrophobicContact CB-CZ 4.26Å; R68-F286 VanDerWaalsContact NH2-CD2 3.28Å; R68-F286 VanDerWaalsContact NH2-CE2 3.26Å
69	G	98.7	Very high	98	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	90.4	7.4	165.4	0	0	0	0	0	115.8	G104 K133	G69-G104 PolarHBondContact N-O 2.78Å; G69-K133 WeakPolarHBondContact O-CG 3.45Å; G69-K133 PolarHBondContact O-NZ 2.98Å
70	F	98.9	Very high	98.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	-175.4	179.7	61.3	-86.6	0	0	0	111.2	L49 H67 R68 T72 A103 W125 V126 P263 V265	L49-F70 HydrophobicContact CD1-CB 3.74Å; L49-F70 HydrophobicContact CD1-CD1 4.43Å; L49-F70 HydrophobicContact CD1-CD2 4.42Å; L49-F70 HydrophobicContact CD1-CG 3.97Å; H67-F70 HydrophobicContact CB-CE1 4.42Å; H67-F70 HydrophobicContact CB-CZ 4Å; H67-F70 AromaticContact CG-CZ 3.93Å; H67-F70 AromaticContact ND1-CE2 3.87Å; H67-F70 AromaticContact ND1-CZ 3.3Å; H67-F70 VanDerWaalsContact ND1-CZ 3.3Å; H67-F70 WeakPolarHBondContact ND1-CZ 3.47Å; R68-F70 WeakPolarHBondContact O-CD1 3.43Å; R68-F70 WeakPolarHBondContact O-CE1 3.37Å; F70-T72 HydrophobicContact CD2-CG2 4.32Å; F70-T72 HydrophobicContact CE2-CG2 3.75Å; F70-A103 VanDerWaalsContact O-CB 3.28Å; F70-A103 WeakPolarHBondContact O-CB 3.36Å; F70-A103 PolarHBondContact O-N 2.94Å; F70-W125 HydrophobicContact CD2-CB 4.04Å; F70-W125 HydrophobicContact CD2-CD2 4.04Å; F70-W125 HydrophobicContact CD2-CE3 4.15Å; F70-W125 HydrophobicContact CD2-CG 4Å; F70-W125 HydrophobicContact CE1-CE3 4.22Å; F70-W125 HydrophobicContact CE1-CZ3 4.18Å; F70-W125 HydrophobicContact CE2-CB 4.15Å; F70-W125 AromaticContact CE2-CD2 3.27Å; F70-W125 HydrophobicContact CE2-CD2 3.27Å; F70-W125 AromaticContact CE2-CE2 3.69Å; F70-W125 AromaticContact CE2-CE3 3.42Å; F70-W125 HydrophobicContact CE2-CE3 3.42Å; F70-W125 VanDerWaalsContact CE2-CE3 3.42Å; F70-W125 AromaticContact CE2-CG 3.61Å; F70-W125 HydrophobicContact CE2-CG 3.61Å; F70-W125 HydrophobicContact CE2-CH2 4.32Å; F70-W125 HydrophobicContact CE2-CZ2 4.22Å; F70-W125 AromaticContact CE2-CZ3 3.94Å; F70-W125 HydrophobicContact CE2-CZ3 3.94Å; F70-W125 AromaticContact CZ-CD2 3.74Å; F70-W125 HydrophobicContact CZ-CD2 3.74Å; F70-W125 AromaticContact CZ-CE3 3.44Å; F70-W125 HydrophobicContact CZ-CE3 3.44Å; F70-W125 VanDerWaalsContact CZ-CE3 3.44Å; F70-W125 AromaticContact CZ-CH2 3.82Å; F70-W125 HydrophobicContact CZ-CH2 3.82Å; F70-W125 HydrophobicContact CZ-CZ2 4.11Å; F70-W125 AromaticContact CZ-CZ3 3.47Å; F70-W125 HydrophobicContact CZ-CZ3 3.47Å; F70-W125 VanDerWaalsContact CZ-CZ3 3.47Å; F70-V126 WeakPolarHBondContact CB-O 3.07Å; F70-P263 WeakPolarHBondContact CE1-O 3.22Å; F70-V265 HydrophobicContact CD1-CB 3.69Å; F70-V265 HydrophobicContact CD1-CG2 3.7Å; F70-V265 HydrophobicContact CE1-CB 4.14Å; F70-V265 HydrophobicContact CE1-CG2 3.7Å
71	E	98.9	Very high	98.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.5	175.2	-46	-166.5	110	0	0	110.7	W100 M101 T102 W125 V126 L128 R174	E71-W100 VanDerWaalsContact CD-NE1 3.3Å; E71-W100 PolarHBondContact OE2-NE1 3.16Å; E71-M101 CarbonylContact C-O 3.53Å; E71-M101 WeakPolarHBondContact CA-O 3.49Å; E71-M101 WeakPolarHBondContact CB-O 3.21Å; E71-T102 HydrophobicContact CG-CG2 4.22Å; E71-T102 WeakPolarHBondContact OE1-CB 3.5Å; E71-T102 PolarHBondContact OE1-OG1 2.9Å; E71-W125 CarbonylContact O-C 3.55Å; E71-W125 WeakPolarHBondContact O-CA 3.43Å; E71-V126 HydrophobicContact CB-CB 4.47Å; E71-V126 PolarHBondContact N-O 3.07Å; E71-V126 PolarHBondContact O-N 2.58Å; E71-L128 HydrophobicContact CG-CD1 4.19Å; E71-L128 HydrophobicContact CG-CD2 3.71Å; E71-L128 HydrophobicContact CG-CG 3.9Å; E71-R174 IonicContact OE1-NH1 3.6Å; E71-R174 PolarHBondContact OE1-NH1 2.83Å
72	T	98.8	Very high	98.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.6	167.1	65.9	0	0	0	0	109.7	F70 M101 L124 W125	F70-T72 HydrophobicContact CD2-CG2 4.32Å; F70-T72 HydrophobicContact CE2-CG2 3.75Å; T72-M101 HydrophobicContact CG2-CE 4.03Å; T72-M101 PolarHBondContact N-O 2.83Å; T72-M101 PolarHBondContact O-N 3.43Å; T72-M101 WeakPolarHBondContact OG1-CE 3.25Å; T72-L124 CarbonylContact C-O 3.5Å; T72-L124 WeakPolarHBondContact CA-O 3.17Å; T72-W125 HydrophobicContact CG2-CG 4.44Å
73	V	98.9	Very high	98.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	106.8	178.5	-171.6	0	0	0	0	108.2	L98 Q99 W100 Q123 L124 V126 Y179	V73-L98 HydrophobicContact CG1-CD1 3.62Å; V73-Q99 CarbonylContact C-O 3.51Å; V73-Q99 WeakPolarHBondContact CA-O 3.13Å; V73-W100 HydrophobicContact CB-CD2 4.44Å; V73-W100 HydrophobicContact CB-CE3 4.34Å; V73-W100 HydrophobicContact CG1-CD2 4.11Å; V73-W100 HydrophobicContact CG1-CE3 3.59Å; V73-W100 HydrophobicContact CG1-CZ3 3.99Å; V73-W100 HydrophobicContact CG2-CD2 3.49Å; V73-W100 VanDerWaalsContact CG2-CD2 3.49Å; V73-W100 HydrophobicContact CG2-CE3 3.73Å; V73-W100 HydrophobicContact CG2-CG 3.95Å; V73-W100 HydrophobicContact CG2-CH2 4.12Å; V73-W100 HydrophobicContact CG2-CZ2 3.9Å; V73-W100 HydrophobicContact CG2-CZ3 4.04Å; V73-Q123 WeakPolarHBondContact O-CA 3.27Å; V73-L124 HydrophobicContact CB-CB 4.28Å; V73-L124 PolarHBondContact N-O 2.81Å; V73-L124 PolarHBondContact O-N 3.03Å; V73-V126 HydrophobicContact CG2-CG2 4.12Å; V73-Y179 HydrophobicContact CG1-CD2 4.21Å; V73-Y179 HydrophobicContact CG1-CE2 4.08Å
74	T	98.9	Very high	98.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.7	178.7	-59	0	0	0	0	109.1	F54 L93 L98 Q99 E111 L122	F54-T74 HydrophobicContact CE1-CG2 4.3Å; F54-T74 HydrophobicContact CZ-CG2 4.22Å; T74-L93 HydrophobicContact CG2-CD1 4.06Å; T74-L98 WeakPolarHBondContact O-CA 3.29Å; T74-Q99 PolarHBondContact N-O 2.8Å; T74-Q99 PolarHBondContact O-N 2.88Å; T74-E111 PolarHBondContact OG1-OE1 2.84Å; T74-E111 VanDerWaalsContact OG1-OE1 3.1Å; T74-L122 WeakPolarHBondContact CA-O 3.32Å
75	Y	98.9	Very high	98.4	Very high	7 Å²	7	11.9 Å²	11.9	3%	0.027	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.7	176.9	179.7	-120.4	0	0	0	110.2	L77 D97 G121 L122 I147 I160 D181	Y75-L77 HydrophobicContact CD1-CD2 3.79Å; Y75-L77 HydrophobicContact CE1-CD2 3.5Å; Y75-L77 VanDerWaalsContact CE1-CD2 3.5Å; Y75-D97 WeakPolarHBondContact CD2-O 3.43Å; Y75-G121 CarbonylContact O-C 3.57Å; Y75-G121 WeakPolarHBondContact O-CA 3.34Å; Y75-L122 PolarHBondContact N-O 2.89Å; Y75-L122 PolarHBondContact O-N 2.78Å; Y75-I147 HydrophobicContact CE2-CD1 4.22Å; Y75-I160 HydrophobicContact CD1-CD1 3.83Å; Y75-I160 HydrophobicContact CD2-CD1 4.03Å; Y75-I160 HydrophobicContact CD2-CG1 4.31Å; Y75-I160 HydrophobicContact CE1-CD1 3.91Å; Y75-I160 HydrophobicContact CE2-CD1 4.13Å; Y75-I160 HydrophobicContact CE2-CG1 4.22Å; Y75-I160 HydrophobicContact CG-CD1 3.88Å; Y75-D181 HydrophobicContact CE1-CB 3.91Å; Y75-D181 WeakPolarHBondContact CE1-OD2 3.45Å; Y75-D181 PolarHBondContact OH-OD2 3.47Å
76	V	98.8	Very high	98.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.7	-173.5	-178.7	0	0	0	0	110.2	G78 T81 L93 T94 G96 D97 V119	V76-G78 WeakPolarHBondContact CG1-O 3.41Å; V76-T81 HydrophobicContact CG2-CG2 4.02Å; V76-L93 HydrophobicContact CG2-CB 3.58Å; V76-L93 HydrophobicContact CG2-CD1 4.39Å; V76-T94 WeakPolarHBondContact CB-O 3.5Å; V76-G96 WeakPolarHBondContact O-CA 3.34Å; V76-G96 PolarHBondContact O-N 2.86Å; V76-D97 PolarHBondContact N-O 2.84Å; V76-D97 VanDerWaalsContact N-O 3.14Å; V76-V119 HydrophobicContact CG1-CG2 4.03Å
77	L	98.4	Very high	97.9	Very high	36 Å²	36	12.8 Å²	12.8	19%	0.188	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-24.7	177.6	-61.6	174.2	0	0	0	112.6	Y75 T95 V120 L122 L205	Y75-L77 HydrophobicContact CD1-CD2 3.79Å; Y75-L77 HydrophobicContact CE1-CD2 3.5Å; Y75-L77 VanDerWaalsContact CE1-CD2 3.5Å; L77-T95 WeakPolarHBondContact O-CG2 3.43Å; L77-V120 WeakPolarHBondContact CA-O 3.34Å; L77-V120 HydrophobicContact CB-CB 4.5Å; L77-V120 HydrophobicContact CB-CG1 4.23Å; L77-V120 HydrophobicContact CD1-CG1 4.38Å; L77-V120 PolarHBondContact N-O 2.83Å; L77-L122 HydrophobicContact CD1-CG 4.12Å; L77-L205 HydrophobicContact CD1-CD1 3.74Å; L77-L205 HydrophobicContact CD1-CD2 3.6Å; L77-L205 HydrophobicContact CD1-CG 4.32Å; L77-L205 HydrophobicContact CD2-CD1 4.19Å
78	G	97.9	Very high	97.4	Very high	17 Å²	17	15.5 Å²	15.5	18%	0.175	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	155.1	178.9	0	0	0	0	0	112.3	V76 T95 V119 V120	V76-G78 WeakPolarHBondContact CG1-O 3.41Å; G78-T95 WeakPolarHBondContact CA-OG1 3.48Å; G78-V119 CarbonylContact O-C 3.56Å; G78-V119 WeakPolarHBondContact O-CA 3.31Å; G78-V119 WeakPolarHBondContact O-CG2 3.34Å; G78-V120 PolarHBondContact N-O 2.97Å; G78-V120 PolarHBondContact O-N 2.62Å
79	G	97.1	Very high	97.2	Very high	19 Å²	19	18.4 Å²	18.4	20%	0.196	12%	0.122	C	C	.	.	S	Bend	trans	75.8	-162.1	-180	0	0	0	0	0	113.7	T95	G79-T95 PolarHBondContact O-N 3.02Å
80	I	97.9	Very high	97.1	Very high	53 Å²	53	22 Å²	22	27%	0.272	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	127.7	-176.9	-46.8	179.7	0	0	0	110.5	R92 L93 T94 V114 S115	I80-R92 HydrophobicContact CG2-CB 4.35Å; I80-L93 WeakPolarHBondContact CA-O 3.39Å; I80-L93 WeakPolarHBondContact CG2-O 3.45Å; I80-T94 HydrophobicContact CD1-CG2 4.3Å; I80-T94 HydrophobicContact CG1-CG2 4.13Å; I80-T94 HydrophobicContact CG2-CG2 4.11Å; I80-V114 HydrophobicContact CB-CG2 3.94Å; I80-V114 HydrophobicContact CG2-CG2 3.44Å; I80-V114 VanDerWaalsContact CG2-CG2 3.44Å; I80-V114 PolarHBondContact O-N 3.4Å; I80-S115 PolarHBondContact N-OG 2.85Å
81	T	97.9	Very high	97	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.043	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.7	169.1	-173.9	0	0	0	0	110.6	V76 R92 L93 M112 V119	V76-T81 HydrophobicContact CG2-CG2 4.02Å; T81-R92 CarbonylContact O-C 3.53Å; T81-R92 WeakPolarHBondContact O-CA 3.49Å; T81-L93 HydrophobicContact CG2-CB 3.88Å; T81-L93 HydrophobicContact CG2-CD1 4.22Å; T81-L93 HydrophobicContact CG2-CG 4.44Å; T81-L93 PolarHBondContact N-O 3.31Å; T81-L93 PolarHBondContact O-N 3Å; T81-M112 PolarHBondContact OG1-O 3.1Å; T81-V119 HydrophobicContact CG2-CG2 4.37Å
82	A	98.1	Very high	97	Very high	7 Å²	7	30.6 Å²	30.6	6%	0.058	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	148.3	169.4	0	0	0	0	0	110.1	G91 R92 E111 M112 V114 I296	A82-G91 VanDerWaalsContact CA-O 3.31Å; A82-G91 WeakPolarHBondContact CA-O 3.43Å; A82-R92 HydrophobicContact CB-CG 4.18Å; A82-E111 CarbonylContact O-C 2.95Å; A82-E111 WeakPolarHBondContact O-CA 3.27Å; A82-M112 PolarHBondContact N-O 3.37Å; A82-M112 PolarHBondContact O-N 2.83Å; A82-V114 HydrophobicContact CB-CB 4.48Å; A82-V114 HydrophobicContact CB-CG1 3.43Å; A82-V114 VanDerWaalsContact CB-CG1 3.43Å; A82-V114 HydrophobicContact CB-CG2 4.25Å; A82-I296 HydrophobicContact CB-CD1 4.31Å
83	H	98.3	Very high	97	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.9	171.1	57.3	-115.4	0	0	0	111	H89 S90 G91 Q99 A110 E111 E141	H83-H89 AromaticContact NE2-NE2 3.88Å; H83-S90 WeakPolarHBondContact O-CA 3.18Å; H83-S90 WeakPolarHBondContact O-CB 3.35Å; H83-G91 PolarHBondContact CD2-N 2.88Å; H83-G91 PolarHBondContact N-O 2.75Å; H83-G91 WeakPolarHBondContact NE2-CA 3.4Å; H83-G91 PolarHBondContact NE2-N 2.99Å; H83-G91 VanDerWaalsContact NE2-N 3.12Å; H83-G91 PolarHBondContact O-N 2.88Å; H83-G91 VanDerWaalsContact O-N 3.07Å; H83-Q99 PolarHBondContact CE1-NE2 2.84Å; H83-Q99 PolarHBondContact ND1-NE2 2.7Å; H83-Q99 PolarHBondContact NE2-NE2 2.84Å; H83-A110 WeakPolarHBondContact CA-O 3.48Å; H83-E111 HydrophobicContact CB-CG 4.38Å; H83-E141 IonicContact CE1-OE1 3.47Å; H83-E141 PolarHBondContact CE1-OE1 3.47Å; H83-E141 IonicContact NE2-OE1 3.69Å; H83-E141 PolarHBondContact NE2-OE1 3.08Å; H83-E141 VanDerWaalsContact NE2-OE1 3.11Å
84	E	98.1	Very high	97	Very high	26 Å²	26	33.5 Å²	33.5	12%	0.121	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	132.3	175.5	-174.9	-177	168.9	0	0	109.2	H89 H109 A110 W292 S294 K295 I296	E84-H89 WeakPolarHBondContact CA-O 3.2Å; E84-H109 CarbonylContact O-C 3.56Å; E84-H109 WeakPolarHBondContact O-CA 3.41Å; E84-H109 WeakPolarHBondContact O-CB 3.39Å; E84-A110 PolarHBondContact N-O 3.16Å; E84-A110 VanDerWaalsContact N-O 3.16Å; E84-A110 PolarHBondContact O-N 3.41Å; E84-W292 HydrophobicContact CG-CZ2 4.27Å; E84-S294 WeakPolarHBondContact OE2-CB 3.3Å; E84-K295 PolarHBondContact OE1-N 2.82Å; E84-K295 WeakPolarHBondContact OE2-CB 3.47Å; E84-K295 PolarHBondContact OE2-N 3.34Å; E84-I296 HydrophobicContact CB-CD1 3.86Å; E84-I296 HydrophobicContact CB-CG1 4.07Å; E84-I296 PolarHBondContact OE2-N 3.13Å
85	D	97.8	Very high	96.9	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.027	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	166.2	178.1	85.6	5.4	0	0	0	113.6	C87 G88 H89 V107 V108 H109 Y139 W292	D85-C87 PolarHBondContact O-N 3.04Å; D85-C87 VanDerWaalsContact OD1-C 3.31Å; D85-C87 VanDerWaalsContact OD1-CA 3.24Å; D85-C87 WeakPolarHBondContact OD1-CA 3.31Å; D85-C87 WeakPolarHBondContact OD1-CB 3.44Å; D85-C87 PolarHBondContact OD1-N 2.91Å; D85-G88 PolarHBondContact O-N 2.86Å; D85-G88 VanDerWaalsContact O-N 3.16Å; D85-G88 PolarHBondContact OD1-N 2.83Å; D85-H89 PolarHBondContact N-O 2.72Å; D85-H89 PolarHBondContact OD1-N 3.12Å; D85-H89 WeakPolarHBondContact OD2-CB 3.22Å; D85-V107 HydrophobicContact CB-CG2 4.14Å; D85-V108 WeakPolarHBondContact CA-O 3.27Å; D85-H109 HydrophobicContact CB-CB 3.91Å; D85-Y139 WeakPolarHBondContact OD2-CE2 3.43Å; D85-Y139 PolarHBondContact OD2-OH 3.16Å; D85-W292 WeakPolarHBondContact O-CZ2 3.33Å; D85-W292 PolarHBondContact O-NE1 3.3Å
86	F	96.2	Very high	96.9	Very high	13 Å²	13	37.1 Å²	37.1	6%	0.057	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-5.1	177.9	73.8	-10.5	0	0	0	115.9	G106 V107 V108 G285 F286 R288 A289 W292	F86-G106 WeakPolarHBondContact CZ-O 3.45Å; F86-V107 HydrophobicContact CD1-CG2 4.46Å; F86-V107 HydrophobicContact CE1-CB 4.48Å; F86-V107 HydrophobicContact CE1-CG2 4.22Å; F86-V108 HydrophobicContact CB-CB 4.3Å; F86-V108 HydrophobicContact CD2-CB 3.78Å; F86-V108 HydrophobicContact CD2-CG2 3.65Å; F86-V108 HydrophobicContact CE2-CB 4.37Å; F86-V108 HydrophobicContact CE2-CG2 3.88Å; F86-V108 HydrophobicContact CG-CB 4.1Å; F86-V108 HydrophobicContact CG-CG2 4.45Å; F86-V108 PolarHBondContact N-O 3.11Å; F86-G285 WeakPolarHBondContact CZ-O 3.48Å; F86-F286 HydrophobicContact CE2-CD1 4.06Å; F86-R288 HydrophobicContact CB-CB 4.22Å; F86-R288 HydrophobicContact CD2-CB 3.82Å; F86-R288 HydrophobicContact CE2-CB 4.25Å; F86-R288 HydrophobicContact CG-CB 3.97Å; F86-R288 WeakPolarHBondContact O-CB 3.42Å; F86-R288 VanDerWaalsContact O-CD 3.26Å; F86-R288 WeakPolarHBondContact O-CD 3.42Å; F86-A289 HydrophobicContact CD2-CB 4.11Å; F86-A289 HydrophobicContact CE2-CB 4.4Å; F86-W292 VanDerWaalsContact CA-CE2 3.4Å; F86-W292 HydrophobicContact CB-CB 4.24Å; F86-W292 HydrophobicContact CB-CD2 3.51Å; F86-W292 HydrophobicContact CB-CE3 3.88Å; F86-W292 HydrophobicContact CB-CG 3.68Å; F86-W292 HydrophobicContact CB-CZ2 4.4Å; F86-W292 HydrophobicContact CB-CZ3 4.45Å
87	C	89.3	Confident	96.9	Very high	64 Å²	64	37.2 Å²	37.2	43%	0.432	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-8.4	175.6	-78.1	0	0	0	0	111.9	D85 R288	D85-C87 PolarHBondContact O-N 3.04Å; D85-C87 VanDerWaalsContact OD1-C 3.31Å; D85-C87 VanDerWaalsContact OD1-CA 3.24Å; D85-C87 WeakPolarHBondContact OD1-CA 3.31Å; D85-C87 WeakPolarHBondContact OD1-CB 3.44Å; D85-C87 PolarHBondContact OD1-N 2.91Å; C87-R288 PolarHBondContact O-NH1 3.41Å
88	G	87.9	Confident	96.9	Very high	61 Å²	61	35.5 Å²	35.5	63%	0.629	22%	0.22	S	C	*	.	S	Bend	trans	92.4	5.9	-178.1	0	0	0	0	0	113.6	D85	D85-G88 PolarHBondContact O-N 2.86Å; D85-G88 VanDerWaalsContact O-N 3.16Å; D85-G88 PolarHBondContact OD1-N 2.83Å
89	H	95.6	Very high	97	Very high	64 Å²	64	34.8 Å²	34.8	30%	0.296	21%	0.212	S	C	.	.			trans	-73.7	132.6	170.5	-174.3	61.9	0	0	0	109.1	H83 E84 D85 Y139 E141	H83-H89 AromaticContact NE2-NE2 3.88Å; E84-H89 WeakPolarHBondContact CA-O 3.2Å; D85-H89 PolarHBondContact N-O 2.72Å; D85-H89 PolarHBondContact OD1-N 3.12Å; D85-H89 WeakPolarHBondContact OD2-CB 3.22Å; H89-Y139 HydrophobicContact CB-CE2 4.32Å; H89-Y139 AromaticContact CD2-CD1 3.91Å; H89-Y139 AromaticContact CD2-CD2 3.64Å; H89-Y139 AromaticContact CD2-CE1 3.95Å; H89-Y139 AromaticContact CD2-CE2 3.69Å; H89-Y139 AromaticContact CD2-CG 3.76Å; H89-Y139 AromaticContact CD2-CZ 3.85Å; H89-Y139 AromaticContact NE2-CG 3.86Å; H89-E141 IonicContact CD2-OE1 3.93Å; H89-E141 IonicContact CE1-OE1 3.96Å; H89-E141 IonicContact CE1-OE2 3.98Å; H89-E141 IonicContact NE2-OE1 2.75Å; H89-E141 PolarHBondContact NE2-OE1 3.1Å; H89-E141 IonicContact NE2-OE2 2.69Å
90	S	97	Very high	97.1	Very high	75 Å²	75	33.9 Å²	33.9	52%	0.524	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	156.7	180	61.1	0	0	0	0	110.9	H83	H83-S90 WeakPolarHBondContact O-CA 3.18Å; H83-S90 WeakPolarHBondContact O-CB 3.35Å
91	G	97.1	Very high	97.1	Very high	23 Å²	23	31.3 Å²	31.3	24%	0.237	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176	176.7	-173.8	0	0	0	0	0	112.7	A82 H83	A82-G91 VanDerWaalsContact CA-O 3.31Å; A82-G91 WeakPolarHBondContact CA-O 3.43Å; H83-G91 PolarHBondContact CD2-N 2.88Å; H83-G91 PolarHBondContact N-O 2.75Å; H83-G91 WeakPolarHBondContact NE2-CA 3.4Å; H83-G91 PolarHBondContact NE2-N 2.99Å; H83-G91 VanDerWaalsContact NE2-N 3.12Å; H83-G91 PolarHBondContact O-N 2.88Å; H83-G91 VanDerWaalsContact O-N 3.07Å
92	R	97.9	Very high	97.1	Very high	157 Å²	157	31 Å²	31	59%	0.592	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.3	175.1	-67.1	-176.9	177.7	-163.7	-2.2	109.5	I80 T81 A82 K143	I80-R92 HydrophobicContact CG2-CB 4.35Å; T81-R92 CarbonylContact O-C 3.53Å; T81-R92 WeakPolarHBondContact O-CA 3.49Å; A82-R92 HydrophobicContact CB-CG 4.18Å; R92-K143 PolarHBondContact O-NZ 2.74Å
93	L	98.5	Very high	97.2	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.6	173.3	-55.3	174.7	0	0	0	108.3	T74 V76 I80 T81 D97 Q99	T74-L93 HydrophobicContact CG2-CD1 4.06Å; V76-L93 HydrophobicContact CG2-CB 3.58Å; V76-L93 HydrophobicContact CG2-CD1 4.39Å; I80-L93 WeakPolarHBondContact CA-O 3.39Å; I80-L93 WeakPolarHBondContact CG2-O 3.45Å; T81-L93 HydrophobicContact CG2-CB 3.88Å; T81-L93 HydrophobicContact CG2-CD1 4.22Å; T81-L93 HydrophobicContact CG2-CG 4.44Å; T81-L93 PolarHBondContact N-O 3.31Å; T81-L93 PolarHBondContact O-N 3Å; L93-D97 HydrophobicContact CB-CB 4.11Å; L93-D97 HydrophobicContact CD2-CB 4.04Å; L93-Q99 HydrophobicContact CD1-CB 3.71Å; L93-Q99 HydrophobicContact CD2-CB 4.2Å
94	T	98.5	Very high	97.2	Very high	57 Å²	57	30.3 Å²	30.3	35%	0.35	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	173.6	174.9	63.9	0	0	0	0	110.6	V76 I80 G96 D97	V76-T94 WeakPolarHBondContact CB-O 3.5Å; I80-T94 HydrophobicContact CD1-CG2 4.3Å; I80-T94 HydrophobicContact CG1-CG2 4.13Å; I80-T94 HydrophobicContact CG2-CG2 4.11Å; T94-G96 PolarHBondContact O-N 3.04Å; T94-G96 VanDerWaalsContact O-N 3.16Å; T94-D97 PolarHBondContact N-OD2 3.33Å; T94-D97 WeakPolarHBondContact O-CB 3.43Å; T94-D97 PolarHBondContact O-N 3.42Å; T94-D97 PolarHBondContact OG1-OD2 2.98Å
95	T	98.4	Very high	97.2	Very high	78 Å²	78	32.5 Å²	32.5	48%	0.479	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.9	119.1	177	-54.8	0	0	0	0	114.3	L77 G78 G79 D97	L77-T95 WeakPolarHBondContact O-CG2 3.43Å; G78-T95 WeakPolarHBondContact CA-OG1 3.48Å; G79-T95 PolarHBondContact O-N 3.02Å; T95-D97 VanDerWaalsContact C-N 3.32Å
96	G	98.5	Very high	97.2	Very high	5 Å²	5	32.3 Å²	32.3	5%	0.052	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	1.1	-179.8	0	0	0	0	0	114.6	V76 T94 S144 I147	V76-G96 WeakPolarHBondContact O-CA 3.34Å; V76-G96 PolarHBondContact O-N 2.86Å; T94-G96 PolarHBondContact O-N 3.04Å; T94-G96 VanDerWaalsContact O-N 3.16Å; G96-S144 VanDerWaalsContact O-CA 3.26Å; G96-S144 WeakPolarHBondContact O-CA 3.43Å; G96-S144 WeakPolarHBondContact O-CB 3.32Å; G96-I147 VanDerWaalsContact O-CD1 3.22Å; G96-I147 WeakPolarHBondContact O-CD1 3.38Å
97	D	98.9	Very high	97.3	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	19%	0.186	C	C	.	.			trans	-75.1	153.4	171.9	-67.2	-10.8	0	0	0	110.7	Y75 V76 L93 T94 T95 L142 K143 S144	Y75-D97 WeakPolarHBondContact CD2-O 3.43Å; V76-D97 PolarHBondContact N-O 2.84Å; V76-D97 VanDerWaalsContact N-O 3.14Å; L93-D97 HydrophobicContact CB-CB 4.11Å; L93-D97 HydrophobicContact CD2-CB 4.04Å; T94-D97 PolarHBondContact N-OD2 3.33Å; T94-D97 WeakPolarHBondContact O-CB 3.43Å; T94-D97 PolarHBondContact O-N 3.42Å; T94-D97 PolarHBondContact OG1-OD2 2.98Å; T95-D97 VanDerWaalsContact C-N 3.32Å; D97-L142 WeakPolarHBondContact CA-O 3.4Å; D97-K143 VanDerWaalsContact OD1-CA 3.28Å; D97-K143 WeakPolarHBondContact OD1-CA 3.33Å; D97-K143 WeakPolarHBondContact OD2-CD 3.48Å; D97-K143 IonicContact OD2-NZ 2.66Å; D97-K143 PolarHBondContact OD2-NZ 2.83Å; D97-S144 PolarHBondContact OD1-N 2.84Å
98	L	98.8	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.8	179.6	173.7	69.6	0	0	0	110	V73 T74 E141 L142 I147 I160 V171	V73-L98 HydrophobicContact CG1-CD1 3.62Å; T74-L98 WeakPolarHBondContact O-CA 3.29Å; L98-E141 VanDerWaalsContact O-CA 3.31Å; L98-E141 WeakPolarHBondContact O-CA 3.28Å; L98-L142 HydrophobicContact CB-CB 4.39Å; L98-L142 HydrophobicContact CD2-CD1 4.42Å; L98-L142 HydrophobicContact CD2-CG 4.48Å; L98-L142 PolarHBondContact N-O 2.7Å; L98-L142 PolarHBondContact O-N 3.29Å; L98-I147 HydrophobicContact CB-CD1 3.68Å; L98-I160 HydrophobicContact CD1-CG2 3.58Å; L98-I160 HydrophobicContact CD2-CG2 3.69Å; L98-I160 HydrophobicContact CG-CG2 4.23Å; L98-V171 HydrophobicContact CD2-CG2 3.72Å
99	Q	98.8	Very high	98.3	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.2	157.8	179.6	-178.7	82	0	0	109.3	V73 T74 H83 L93 M101 Y139 E141	V73-Q99 CarbonylContact C-O 3.51Å; V73-Q99 WeakPolarHBondContact CA-O 3.13Å; T74-Q99 PolarHBondContact N-O 2.8Å; T74-Q99 PolarHBondContact O-N 2.88Å; H83-Q99 PolarHBondContact CE1-NE2 2.84Å; H83-Q99 PolarHBondContact ND1-NE2 2.7Å; H83-Q99 PolarHBondContact NE2-NE2 2.84Å; L93-Q99 HydrophobicContact CD1-CB 3.71Å; L93-Q99 HydrophobicContact CD2-CB 4.2Å; Q99-M101 HydrophobicContact CG-CB 4.42Å; Q99-Y139 HydrophobicContact CG-CD1 3.98Å; Q99-Y139 HydrophobicContact CG-CE1 4.44Å; Q99-E141 HydrophobicContact CB-CG 4.13Å; Q99-E141 HydrophobicContact CG-CG 3.94Å; Q99-E141 PolarHBondContact NE2-OE1 3.39Å
100	W	98.9	Very high	98.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	100.5	168.5	-162.2	-59.7	0	0	0	108.1	E71 V73 V126 Q140 V171 T173 T177	E71-W100 VanDerWaalsContact CD-NE1 3.3Å; E71-W100 PolarHBondContact OE2-NE1 3.16Å; V73-W100 HydrophobicContact CB-CD2 4.44Å; V73-W100 HydrophobicContact CB-CE3 4.34Å; V73-W100 HydrophobicContact CG1-CD2 4.11Å; V73-W100 HydrophobicContact CG1-CE3 3.59Å; V73-W100 HydrophobicContact CG1-CZ3 3.99Å; V73-W100 HydrophobicContact CG2-CD2 3.49Å; V73-W100 VanDerWaalsContact CG2-CD2 3.49Å; V73-W100 HydrophobicContact CG2-CE3 3.73Å; V73-W100 HydrophobicContact CG2-CG 3.95Å; V73-W100 HydrophobicContact CG2-CH2 4.12Å; V73-W100 HydrophobicContact CG2-CZ2 3.9Å; V73-W100 HydrophobicContact CG2-CZ3 4.04Å; W100-V126 HydrophobicContact CZ2-CG2 4.45Å; W100-Q140 HydrophobicContact CB-CB 4.23Å; W100-Q140 PolarHBondContact N-O 2.97Å; W100-Q140 PolarHBondContact O-N 3.2Å; W100-V171 HydrophobicContact CB-CG1 4.5Å; W100-V171 HydrophobicContact CD2-CG1 3.83Å; W100-V171 HydrophobicContact CE3-CG1 3.6Å; W100-V171 HydrophobicContact CG-CG1 4.26Å; W100-V171 HydrophobicContact CZ3-CG1 4.1Å; W100-T173 HydrophobicContact CH2-CG2 3.51Å; W100-T173 HydrophobicContact CZ2-CG2 3.6Å; W100-T173 HydrophobicContact CZ3-CG2 4.17Å; W100-T177 HydrophobicContact CH2-CG2 3.85Å
101	M	98.7	Very high	98.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.9	-177.6	179.9	-176.3	75.4	0	0	110	E71 T72 Q99 V107 A138 Y139	E71-M101 CarbonylContact C-O 3.53Å; E71-M101 WeakPolarHBondContact CA-O 3.49Å; E71-M101 WeakPolarHBondContact CB-O 3.21Å; T72-M101 HydrophobicContact CG2-CE 4.03Å; T72-M101 PolarHBondContact N-O 2.83Å; T72-M101 PolarHBondContact O-N 3.43Å; T72-M101 WeakPolarHBondContact OG1-CE 3.25Å; Q99-M101 HydrophobicContact CG-CB 4.42Å; M101-V107 HydrophobicContact CE-CG1 3.7Å; M101-V107 HydrophobicContact SD-CG1 3.91Å; M101-V107 HydrophobicContact SD-CG2 4.25Å; M101-A138 CarbonylContact C-O 3.44Å; M101-A138 WeakPolarHBondContact CA-O 3.32Å; M101-Y139 HydrophobicContact CB-CD1 3.88Å; M101-Y139 HydrophobicContact CB-CE1 3.7Å; M101-Y139 HydrophobicContact CG-CD1 3.87Å; M101-Y139 HydrophobicContact CG-CE1 3.34Å; M101-Y139 HydrophobicContact CG-CE2 4.48Å; M101-Y139 HydrophobicContact SD-CE1 3.45Å; M101-Y139 WeakPolarHBondContact SD-CE1 3.48Å; M101-Y139 VanDerWaalsContact SD-CZ 3.57Å; M101-Y139 PolarHBondContact SD-OH 3.32Å
102	T	98.8	Very high	98.5	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	110.7	166.4	-50	0	0	0	0	108.2	E71 L128 I135 P137 A138 R174	E71-T102 HydrophobicContact CG-CG2 4.22Å; E71-T102 WeakPolarHBondContact OE1-CB 3.5Å; E71-T102 PolarHBondContact OE1-OG1 2.9Å; T102-L128 HydrophobicContact CG2-CD1 4.02Å; T102-I135 HydrophobicContact CG2-CD1 3.85Å; T102-I135 HydrophobicContact CG2-CG1 4.28Å; T102-P137 CarbonylContact O-C 3.58Å; T102-P137 WeakPolarHBondContact O-CA 3.22Å; T102-P137 WeakPolarHBondContact O-CB 3.37Å; T102-A138 PolarHBondContact N-O 3.01Å; T102-A138 PolarHBondContact O-N 2.85Å; T102-R174 PolarHBondContact OG1-NH1 2.77Å
103	A	98.6	Very high	98.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.			trans	-76.3	-34.6	179.5	0	0	0	0	0	112.3	H67 F70 R105 G106 V107 P137	H67-A103 HydrophobicContact CB-CB 3.74Å; F70-A103 VanDerWaalsContact O-CB 3.28Å; F70-A103 WeakPolarHBondContact O-CB 3.36Å; F70-A103 PolarHBondContact O-N 2.94Å; A103-R105 PolarHBondContact O-N 3.37Å; A103-G106 PolarHBondContact O-N 3.4Å; A103-V107 HydrophobicContact CB-CG1 3.77Å; A103-P137 WeakPolarHBondContact O-CG 3.46Å
104	G	98.5	Very high	98.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	-129	178.2	0	0	0	0	0	112	R68 G69 G106 K133 I135	R68-G104 WeakPolarHBondContact CA-O 3.07Å; R68-G104 WeakPolarHBondContact CG-O 3.25Å; G69-G104 PolarHBondContact N-O 2.78Å; G104-G106 PolarHBondContact O-N 2.8Å; G104-G106 VanDerWaalsContact O-N 3.15Å; G104-K133 CarbonylContact C-O 3.41Å; G104-K133 WeakPolarHBondContact CA-O 3.42Å; G104-I135 CarbonylContact C-O 3.59Å; G104-I135 WeakPolarHBondContact CA-O 3.49Å
105	R	98.4	Very high	98	Very high	72 Å²	72	11.1 Å²	11.1	27%	0.272	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.3	-178.6	71.6	177.8	-154.3	-114.9	1.5	115.1	R68 A103 K133 M134 I135 E136 G285	R68-R105 PolarHBondContact NE-O 2.89Å; R68-R105 PolarHBondContact NH2-O 3.27Å; A103-R105 PolarHBondContact O-N 3.37Å; R105-K133 PolarHBondContact N-O 2.89Å; R105-M134 HydrophobicContact CB-CE 3.86Å; R105-M134 HydrophobicContact CB-SD 4.37Å; R105-I135 PolarHBondContact N-O 3.36Å; R105-E136 IonicContact CZ-OE1 3.19Å; R105-E136 VanDerWaalsContact NH1-CG 3.3Å; R105-E136 IonicContact NH1-OE1 2.96Å; R105-E136 PolarHBondContact NH1-OE1 2.82Å; R105-G285 VanDerWaalsContact NE-CA 3.35Å
106	G	98.4	Very high	97.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.075	C	C	.	.			trans	148.7	132.6	176.8	0	0	0	0	0	113.5	H67 F86 A103 G104 P137 F286	H67-G106 WeakPolarHBondContact O-CA 3.34Å; F86-G106 WeakPolarHBondContact CZ-O 3.45Å; A103-G106 PolarHBondContact O-N 3.4Å; G104-G106 PolarHBondContact O-N 2.8Å; G104-G106 VanDerWaalsContact O-N 3.15Å; G106-P137 WeakPolarHBondContact O-CG 3.29Å; G106-F286 VanDerWaalsContact CA-CZ 3.48Å
107	V	98.3	Very high	97.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	145	166.9	63.9	0	0	0	0	108.6	P66 H67 D85 F86 M101 A103 H109	P66-V107 CarbonylContact C-O 3.56Å; P66-V107 WeakPolarHBondContact CA-O 3.23Å; H67-V107 HydrophobicContact CB-CG1 4.05Å; H67-V107 PolarHBondContact N-O 3.34Å; H67-V107 PolarHBondContact O-N 3.37Å; H67-V107 VanDerWaalsContact O-N 3.11Å; D85-V107 HydrophobicContact CB-CG2 4.14Å; F86-V107 HydrophobicContact CD1-CG2 4.46Å; F86-V107 HydrophobicContact CE1-CB 4.48Å; F86-V107 HydrophobicContact CE1-CG2 4.22Å; M101-V107 HydrophobicContact CE-CG1 3.7Å; M101-V107 HydrophobicContact SD-CG1 3.91Å; M101-V107 HydrophobicContact SD-CG2 4.25Å; A103-V107 HydrophobicContact CB-CG1 3.77Å; V107-H109 HydrophobicContact CG2-CB 4.39Å
108	V	98.5	Very high	97.4	Very high	8 Å²	8	23.3 Å²	23.3	5%	0.048	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.6	163.4	-167.5	0	0	0	0	107	H65 P66 D85 F86 F279 F286 A289 W292	H65-V108 WeakPolarHBondContact O-CA 3.28Å; P66-V108 HydrophobicContact CB-CG2 4.24Å; D85-V108 WeakPolarHBondContact CA-O 3.27Å; F86-V108 HydrophobicContact CB-CB 4.3Å; F86-V108 HydrophobicContact CD2-CB 3.78Å; F86-V108 HydrophobicContact CD2-CG2 3.65Å; F86-V108 HydrophobicContact CE2-CB 4.37Å; F86-V108 HydrophobicContact CE2-CG2 3.88Å; F86-V108 HydrophobicContact CG-CB 4.1Å; F86-V108 HydrophobicContact CG-CG2 4.45Å; F86-V108 PolarHBondContact N-O 3.11Å; V108-F279 HydrophobicContact CG2-CD2 4.38Å; V108-F279 HydrophobicContact CG2-CE2 3.86Å; V108-F286 HydrophobicContact CG2-CD1 3.88Å; V108-F286 HydrophobicContact CG2-CE1 4.1Å; V108-A289 HydrophobicContact CG2-CB 3.75Å; V108-W292 HydrophobicContact CB-CE3 4.25Å; V108-W292 HydrophobicContact CB-CZ3 4.07Å; V108-W292 HydrophobicContact CG1-CE3 3.95Å; V108-W292 HydrophobicContact CG1-CZ3 3.59Å
109	H	98.6	Very high	97.4	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	167.2	-176.8	75.6	147.8	0	0	0	112.2	D64 H65 H67 E84 D85 V107 E111	D64-H109 WeakPolarHBondContact CA-O 3.49Å; H65-H109 AromaticContact CD2-NE2 3.97Å; H65-H109 AromaticContact CE1-CD2 3.67Å; H65-H109 AromaticContact CE1-NE2 3.48Å; H65-H109 PolarHBondContact CE1-NE2 3.07Å; H65-H109 PolarHBondContact N-O 3.07Å; H65-H109 PolarHBondContact ND1-O 2.67Å; H65-H109 AromaticContact NE2-CD2 3.63Å; H65-H109 AromaticContact NE2-NE2 3.17Å; H65-H109 PolarHBondContact NE2-NE2 2.75Å; H65-H109 VanDerWaalsContact NE2-NE2 3.17Å; H65-H109 PolarHBondContact O-N 3.31Å; H67-H109 AromaticContact CD2-CD2 3.79Å; H67-H109 AromaticContact CD2-NE2 3.21Å; H67-H109 PolarHBondContact CD2-NE2 3.44Å; H67-H109 AromaticContact NE2-NE2 3.24Å; H67-H109 PolarHBondContact NE2-NE2 2.66Å; E84-H109 CarbonylContact O-C 3.56Å; E84-H109 WeakPolarHBondContact O-CA 3.41Å; E84-H109 WeakPolarHBondContact O-CB 3.39Å; D85-H109 HydrophobicContact CB-CB 3.91Å; V107-H109 HydrophobicContact CG2-CB 4.39Å; H109-E111 IonicContact CE1-OE2 2.7Å; H109-E111 PolarHBondContact CE1-OE2 2.84Å; H109-E111 VanDerWaalsContact CE1-OE2 3.28Å; H109-E111 IonicContact NE2-OE2 2.74Å
110	A	98.3	Very high	97.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	149	169.4	0	0	0	0	0	110	F62 H83 E84 M112 S294 I296	F62-A110 CarbonylContact O-C 3.58Å; F62-A110 VanDerWaalsContact O-CA 3.32Å; F62-A110 WeakPolarHBondContact O-CA 3.36Å; H83-A110 WeakPolarHBondContact CA-O 3.48Å; E84-A110 PolarHBondContact N-O 3.16Å; E84-A110 VanDerWaalsContact N-O 3.16Å; E84-A110 PolarHBondContact O-N 3.41Å; A110-M112 HydrophobicContact CB-CG 4.39Å; A110-S294 WeakPolarHBondContact CB-OG 3.28Å; A110-I296 HydrophobicContact CB-CD1 3.99Å; A110-I296 HydrophobicContact CB-CG1 3.84Å
111	E	98.1	Very high	97.3	Very high	5 Å²	5	25.2 Å²	25.2	2%	0.023	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	105.7	175.5	-60.8	-178.4	91.3	0	0	108.5	F62 T74 A82 H83 H109 Q123	F62-E111 HydrophobicContact CB-CB 4.3Å; F62-E111 HydrophobicContact CD2-CB 4.43Å; F62-E111 PolarHBondContact N-O 3.36Å; F62-E111 PolarHBondContact O-N 2.84Å; T74-E111 PolarHBondContact OG1-OE1 2.84Å; T74-E111 VanDerWaalsContact OG1-OE1 3.1Å; A82-E111 CarbonylContact O-C 2.95Å; A82-E111 WeakPolarHBondContact O-CA 3.27Å; H83-E111 HydrophobicContact CB-CG 4.38Å; H109-E111 IonicContact CE1-OE2 2.7Å; H109-E111 PolarHBondContact CE1-OE2 2.84Å; H109-E111 VanDerWaalsContact CE1-OE2 3.28Å; H109-E111 IonicContact NE2-OE2 2.74Å; E111-Q123 PolarHBondContact OE2-NE2 2.81Å
112	M	98	Very high	97.3	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.015	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.6	-167.5	-58.8	-63.4	-65.1	0	0	111.5	F62 P63 T81 A82 A110 V114 I296	F62-M112 PolarHBondContact N-SD 3.1Å; P63-M112 HydrophobicContact CB-SD 4.5Å; T81-M112 PolarHBondContact OG1-O 3.1Å; A82-M112 PolarHBondContact N-O 3.37Å; A82-M112 PolarHBondContact O-N 2.83Å; A110-M112 HydrophobicContact CB-CG 4.39Å; M112-V114 PolarHBondContact O-N 2.89Å; M112-I296 HydrophobicContact CB-CB 4.39Å; M112-I296 HydrophobicContact CB-CD1 4.19Å; M112-I296 HydrophobicContact CB-CG1 4.4Å; M112-I296 HydrophobicContact CG-CB 4.22Å; M112-I296 HydrophobicContact CG-CD1 4.01Å; M112-I296 HydrophobicContact CG-CG1 3.92Å; M112-I296 WeakPolarHBondContact CG-O 3.46Å
113	P	97.1	Very high	97.3	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.026	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	136.1	171.5	-18.7	30.2	0	0	0	111.4	V56 K58 A60 V119	V56-P113 HydrophobicContact CB-CG 4.01Å; V56-P113 HydrophobicContact CG1-CG 3.77Å; K58-P113 WeakPolarHBondContact CE-O 3.37Å; K58-P113 HydrophobicContact CG-CB 4.36Å; A60-P113 WeakPolarHBondContact O-CD 3.46Å; A60-P113 VanDerWaalsContact O-CG 3.3Å; A60-P113 WeakPolarHBondContact O-CG 3.4Å; P113-V119 HydrophobicContact CB-CG1 4.07Å; P113-V119 HydrophobicContact CG-CG1 3.86Å
114	V	95.2	Very high	97.4	Very high	30 Å²	30	25.8 Å²	25.8	18%	0.182	13%	0.129	C	C	.	.			trans	-122.4	-9.3	-179.8	-66.1	0	0	0	0	114.5	K58 I80 A82 M112	K58-V114 VanDerWaalsContact CE-CA 3.46Å; K58-V114 VanDerWaalsContact CE-O 3.29Å; K58-V114 WeakPolarHBondContact CE-O 3.5Å; K58-V114 PolarHBondContact NZ-O 3.44Å; I80-V114 HydrophobicContact CB-CG2 3.94Å; I80-V114 HydrophobicContact CG2-CG2 3.44Å; I80-V114 VanDerWaalsContact CG2-CG2 3.44Å; I80-V114 PolarHBondContact O-N 3.4Å; A82-V114 HydrophobicContact CB-CB 4.48Å; A82-V114 HydrophobicContact CB-CG1 3.43Å; A82-V114 VanDerWaalsContact CB-CG1 3.43Å; A82-V114 HydrophobicContact CB-CG2 4.25Å; M112-V114 PolarHBondContact O-N 2.89Å
115	S	92.3	Very high	97.4	Very high	21 Å²	21	27 Å²	27	15%	0.147	13%	0.133	C	C	.	.	S	Bend	trans	-89.5	163.5	170.9	50.5	0	0	0	0	112.6	I80 E117	I80-S115 PolarHBondContact N-OG 2.85Å; S115-E117 PolarHBondContact OG-O 2.82Å
116	E	91.3	Very high	97.4	Very high	164 Å²	164	23.6 Å²	23.6	77%	0.766	12%	0.12	S	C	*	.	S	Bend	trans	-68.8	-40.5	170.2	-61.5	-52.7	117	0	0	111.5	K58	K58-E116 IonicContact NZ-OE1 2.91Å
117	E	95.3	Very high	97.4	Very high	139 Å²	139	23.6 Å²	23.6	65%	0.65	12%	0.121	S	C	*	.	S	Bend	trans	-70.8	142.1	172.7	-63.7	-58.3	147.1	0	0	110.6	S115 V119	S115-E117 PolarHBondContact OG-O 2.82Å; E117-V119 PolarHBondContact O-N 3.26Å
118	P	97	Very high	97.4	Very high	40 Å²	40	23.6 Å²	23.6	26%	0.26	12%	0.121	S	C	.	.	P	Polyproline II helix	trans	-56.3	138	174.7	-20	29	0	0	0	111.5	K55 V56 A57	K55-P118 HydrophobicContact CG-CB 4.12Å; V56-P118 CarbonylContact O-C 3.53Å; V56-P118 VanDerWaalsContact O-CA 3.27Å; V56-P118 WeakPolarHBondContact O-CA 3.35Å; A57-P118 HydrophobicContact CB-CB 4.1Å; A57-P118 HydrophobicContact CB-CG 4Å
119	V	97.8	Very high	97.5	Very high	3 Å²	3	27 Å²	27	2%	0.018	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	134.6	167.1	67.3	0	0	0	0	109	F54 K55 V56 V76 G78 T81 P113 E117	F54-V119 HydrophobicContact CD2-CG1 4.16Å; F54-V119 HydrophobicContact CE2-CB 4.39Å; F54-V119 HydrophobicContact CE2-CG1 3.82Å; F54-V119 HydrophobicContact CE2-CG2 3.88Å; K55-V119 CarbonylContact C-O 3.48Å; K55-V119 VanDerWaalsContact CA-O 3.3Å; K55-V119 WeakPolarHBondContact CA-O 3.48Å; V56-V119 HydrophobicContact CB-CG1 4.22Å; V56-V119 PolarHBondContact N-O 2.65Å; V56-V119 WeakPolarHBondContact O-CG1 3.48Å; V56-V119 PolarHBondContact O-N 2.91Å; V76-V119 HydrophobicContact CG1-CG2 4.03Å; G78-V119 CarbonylContact O-C 3.56Å; G78-V119 WeakPolarHBondContact O-CA 3.31Å; G78-V119 WeakPolarHBondContact O-CG2 3.34Å; T81-V119 HydrophobicContact CG2-CG2 4.37Å; P113-V119 HydrophobicContact CB-CG1 4.07Å; P113-V119 HydrophobicContact CG-CG1 3.86Å; E117-V119 PolarHBondContact O-N 3.26Å
120	V	98.4	Very high	97.5	Very high	37 Å²	37	32.3 Å²	32.3	22%	0.224	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.6	173.3	-175.5	0	0	0	0	108	F54 K55 L77 G78	F54-V120 VanDerWaalsContact O-CA 3.28Å; F54-V120 WeakPolarHBondContact O-CA 3.36Å; K55-V120 HydrophobicContact CB-CG2 4.31Å; K55-V120 HydrophobicContact CD-CG2 4.32Å; K55-V120 HydrophobicContact CG-CG2 3.98Å; L77-V120 WeakPolarHBondContact CA-O 3.34Å; L77-V120 HydrophobicContact CB-CB 4.5Å; L77-V120 HydrophobicContact CB-CG1 4.23Å; L77-V120 HydrophobicContact CD1-CG1 4.38Å; L77-V120 PolarHBondContact N-O 2.83Å; G78-V120 PolarHBondContact N-O 2.97Å; G78-V120 PolarHBondContact O-N 2.62Å
121	G	98.5	Very high	97.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	-177.8	179.3	0	0	0	0	0	113.6	E53 F54 Y75	E53-G121 WeakPolarHBondContact CA-O 3.37Å; F54-G121 WeakPolarHBondContact CD1-O 3.45Å; F54-G121 VanDerWaalsContact CZ-CA 3.41Å; F54-G121 PolarHBondContact N-O 2.82Å; F54-G121 PolarHBondContact O-N 3.36Å; Y75-G121 CarbonylContact O-C 3.57Å; Y75-G121 WeakPolarHBondContact O-CA 3.34Å
122	L	98.9	Very high	97.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138	175.5	-65.2	175.7	0	0	0	109.4	D52 E53 T74 Y75 L77 Y179 Y203 L205 V247	D52-L122 CarbonylContact O-C 3.48Å; D52-L122 WeakPolarHBondContact O-CA 3.39Å; E53-L122 HydrophobicContact CB-CD2 3.78Å; E53-L122 HydrophobicContact CG-CD2 4.21Å; T74-L122 WeakPolarHBondContact CA-O 3.32Å; Y75-L122 PolarHBondContact N-O 2.89Å; Y75-L122 PolarHBondContact O-N 2.78Å; L77-L122 HydrophobicContact CD1-CG 4.12Å; L122-Y179 WeakPolarHBondContact CB-OH 3.47Å; L122-Y179 VanDerWaalsContact CD1-OH 3.28Å; L122-Y179 WeakPolarHBondContact CD1-OH 3.49Å; L122-Y203 HydrophobicContact CD2-CD1 3.99Å; L122-Y203 HydrophobicContact CD2-CE1 3.93Å; L122-L205 HydrophobicContact CD1-CD1 4.47Å; L122-L205 HydrophobicContact CD1-CD2 4.46Å; L122-L205 HydrophobicContact CD2-CD2 4.07Å; L122-L205 HydrophobicContact CG-CD2 4.48Å; L122-V247 HydrophobicContact CD1-CB 4.42Å; L122-V247 HydrophobicContact CD1-CG1 3.64Å; L122-V247 HydrophobicContact CD1-CG2 3.89Å
123	Q	98.8	Very high	97.5	Very high	13 Å²	13	41.1 Å²	41.1	6%	0.061	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	113.9	169.7	-167.8	158.5	-2.3	0	0	109.4	L51 D52 F54 V73 E111	L51-Q123 WeakPolarHBondContact CA-O 3.28Å; D52-Q123 PolarHBondContact N-O 2.95Å; D52-Q123 PolarHBondContact O-N 2.91Å; F54-Q123 HydrophobicContact CD1-CB 4.35Å; F54-Q123 HydrophobicContact CE1-CB 4.33Å; V73-Q123 WeakPolarHBondContact O-CA 3.27Å; E111-Q123 PolarHBondContact OE2-NE2 2.81Å
124	L	98.9	Very high	97.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.6	178	178.2	74.8	0	0	0	109.3	F48 L50 L51 T72 V73 V126 Y179 F201 I249	F48-L124 HydrophobicContact CB-CD1 4.33Å; F48-L124 HydrophobicContact CD1-CD1 3.85Å; F48-L124 HydrophobicContact CD1-CD2 3.96Å; F48-L124 HydrophobicContact CD1-CG 4.19Å; F48-L124 HydrophobicContact CE1-CD2 4.01Å; F48-L124 HydrophobicContact CG-CD1 4.33Å; L50-L124 WeakPolarHBondContact O-CA 3.19Å; L51-L124 HydrophobicContact CB-CD1 4.21Å; L51-L124 HydrophobicContact CD1-CB 4.17Å; L51-L124 HydrophobicContact CD1-CD1 4.1Å; T72-L124 CarbonylContact C-O 3.5Å; T72-L124 WeakPolarHBondContact CA-O 3.17Å; V73-L124 HydrophobicContact CB-CB 4.28Å; V73-L124 PolarHBondContact N-O 2.81Å; V73-L124 PolarHBondContact O-N 3.03Å; L124-V126 HydrophobicContact CD2-CG2 3.68Å; L124-V126 HydrophobicContact CG-CG2 3.97Å; L124-Y179 HydrophobicContact CD2-CD2 4.25Å; L124-Y179 HydrophobicContact CD2-CE2 4.26Å; L124-F201 HydrophobicContact CD1-CZ 4.22Å; L124-I249 HydrophobicContact CD1-CD1 4.49Å; L124-I249 HydrophobicContact CD2-CD1 4.27Å; L124-I249 HydrophobicContact CD2-CG2 4.04Å
125	W	98.9	Very high	97.8	Very high	26 Å²	26	46.3 Å²	46.3	10%	0.098	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.5	168.9	-68.1	9.9	0	0	0	110	L49 L50 H67 F70 E71 T72	L49-W125 HydrophobicContact CB-CB 3.9Å; L49-W125 HydrophobicContact CB-CE3 4.48Å; L49-W125 HydrophobicContact CD1-CB 4.45Å; L49-W125 PolarHBondContact N-O 3.39Å; L50-W125 HydrophobicContact CB-CB 3.98Å; L50-W125 HydrophobicContact CB-CD2 3.91Å; L50-W125 HydrophobicContact CB-CE3 4.08Å; L50-W125 HydrophobicContact CB-CG 3.89Å; L50-W125 HydrophobicContact CD1-CD2 4.23Å; L50-W125 HydrophobicContact CD1-CE3 4.31Å; L50-W125 HydrophobicContact CD1-CH2 4.4Å; L50-W125 HydrophobicContact CD1-CZ2 4.3Å; L50-W125 HydrophobicContact CD1-CZ3 4.41Å; L50-W125 HydrophobicContact CD2-CD2 4.4Å; L50-W125 HydrophobicContact CD2-CG 4.28Å; L50-W125 HydrophobicContact CG-CD2 4.44Å; L50-W125 PolarHBondContact O-N 3.21Å; H67-W125 AromaticContact CE1-CZ2 3.49Å; H67-W125 VanDerWaalsContact CE1-CZ2 3.49Å; H67-W125 WeakPolarHBondContact CE1-CZ2 3.42Å; H67-W125 AromaticContact ND1-CZ2 3.86Å; F70-W125 HydrophobicContact CD2-CB 4.04Å; F70-W125 HydrophobicContact CD2-CD2 4.04Å; F70-W125 HydrophobicContact CD2-CE3 4.15Å; F70-W125 HydrophobicContact CD2-CG 4Å; F70-W125 HydrophobicContact CE1-CE3 4.22Å; F70-W125 HydrophobicContact CE1-CZ3 4.18Å; F70-W125 HydrophobicContact CE2-CB 4.15Å; F70-W125 AromaticContact CE2-CD2 3.27Å; F70-W125 HydrophobicContact CE2-CD2 3.27Å; F70-W125 AromaticContact CE2-CE2 3.69Å; F70-W125 AromaticContact CE2-CE3 3.42Å; F70-W125 HydrophobicContact CE2-CE3 3.42Å; F70-W125 VanDerWaalsContact CE2-CE3 3.42Å; F70-W125 AromaticContact CE2-CG 3.61Å; F70-W125 HydrophobicContact CE2-CG 3.61Å; F70-W125 HydrophobicContact CE2-CH2 4.32Å; F70-W125 HydrophobicContact CE2-CZ2 4.22Å; F70-W125 AromaticContact CE2-CZ3 3.94Å; F70-W125 HydrophobicContact CE2-CZ3 3.94Å; F70-W125 AromaticContact CZ-CD2 3.74Å; F70-W125 HydrophobicContact CZ-CD2 3.74Å; F70-W125 AromaticContact CZ-CE3 3.44Å; F70-W125 HydrophobicContact CZ-CE3 3.44Å; F70-W125 VanDerWaalsContact CZ-CE3 3.44Å; F70-W125 AromaticContact CZ-CH2 3.82Å; F70-W125 HydrophobicContact CZ-CH2 3.82Å; F70-W125 HydrophobicContact CZ-CZ2 4.11Å; F70-W125 AromaticContact CZ-CZ3 3.47Å; F70-W125 HydrophobicContact CZ-CZ3 3.47Å; F70-W125 VanDerWaalsContact CZ-CZ3 3.47Å; E71-W125 CarbonylContact O-C 3.55Å; E71-W125 WeakPolarHBondContact O-CA 3.43Å; T72-W125 HydrophobicContact CG2-CG 4.44Å
126	V	98.9	Very high	98.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.5	178	-172.7	0	0	0	0	108.3	F48 F70 E71 V73 W100 L124 T175	F48-V126 HydrophobicContact CD1-CG2 4.19Å; F48-V126 HydrophobicContact CE1-CG2 4.23Å; F70-V126 WeakPolarHBondContact CB-O 3.07Å; E71-V126 HydrophobicContact CB-CB 4.47Å; E71-V126 PolarHBondContact N-O 3.07Å; E71-V126 PolarHBondContact O-N 2.58Å; V73-V126 HydrophobicContact CG2-CG2 4.12Å; W100-V126 HydrophobicContact CZ2-CG2 4.45Å; L124-V126 HydrophobicContact CD2-CG2 3.68Å; L124-V126 HydrophobicContact CG-CG2 3.97Å; V126-T175 HydrophobicContact CG1-CG2 4.14Å
127	N	98.9	Very high	98.4	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	152.1	-179.4	-164	20.6	0	0	0	111.2	P47 L49 K133 T175 I254	P47-N127 WeakPolarHBondContact O-CB 3.26Å; P47-N127 PolarHBondContact O-N 2.93Å; L49-N127 HydrophobicContact CD1-CB 3.72Å; L49-N127 HydrophobicContact CD2-CB 3.98Å; L49-N127 HydrophobicContact CG-CB 3.82Å; N127-K133 PolarHBondContact OD1-NZ 2.93Å; N127-T175 WeakPolarHBondContact O-CB 3.4Å; N127-T175 PolarHBondContact O-OG1 3.11Å; N127-I254 HydrophobicContact CB-CD1 3.76Å; N127-I254 WeakPolarHBondContact O-CD1 3.33Å
128	L	98.9	Very high	98.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-103.9	148.5	169.1	-70.5	169.9	0	0	0	110.2	E71 T102 E132 K133 R174	E71-L128 HydrophobicContact CG-CD1 4.19Å; E71-L128 HydrophobicContact CG-CD2 3.71Å; E71-L128 HydrophobicContact CG-CG 3.9Å; T102-L128 HydrophobicContact CG2-CD1 4.02Å; L128-E132 HydrophobicContact CB-CB 4.27Å; L128-E132 HydrophobicContact CD2-CB 4.37Å; L128-K133 HydrophobicContact CB-CG 4.2Å; L128-K133 WeakPolarHBondContact O-CE 3.48Å; L128-K133 PolarHBondContact O-NZ 3.14Å; L128-R174 HydrophobicContact CD2-CB 3.72Å; L128-R174 HydrophobicContact CD2-CG 4.43Å
129	R	98.8	Very high	98.6	Very high	79 Å²	79	41.4 Å²	41.4	30%	0.298	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-62.7	150.7	170.7	-56.6	-177.9	-180	-169.5	0.8	109.8	Q131 E132 K133 E252 I254	R129-Q131 PolarHBondContact O-N 2.85Å; R129-E132 WeakPolarHBondContact O-CA 3.28Å; R129-E132 PolarHBondContact O-N 3.09Å; R129-K133 PolarHBondContact O-N 2.92Å; R129-E252 IonicContact CZ-OE2 2.73Å; R129-E252 IonicContact NH2-OE1 3.47Å; R129-E252 IonicContact NH2-OE2 3.99Å; R129-E252 PolarHBondContact NH2-OE2 2.89Å; R129-I254 HydrophobicContact CB-CG2 4.41Å; R129-I254 HydrophobicContact CG-CD1 4.3Å; R129-I254 HydrophobicContact CG-CG1 4.07Å; R129-I254 HydrophobicContact CG-CG2 3.98Å
130	K	98.7	Very high	98.6	Very high	114 Å²	114	43.3 Å²	43.3	50%	0.496	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-46	-46.5	-176.3	-179	172.5	-176.6	176.9	0	113.3	E132 K133 E256 N267	K130-E132 PolarHBondContact O-N 2.85Å; K130-K133 PolarHBondContact O-N 2.91Å; K130-E256 WeakPolarHBondContact CB-OE2 3.18Å; K130-E256 PolarHBondContact N-OE1 3.01Å; K130-E256 PolarHBondContact N-OE2 2.78Å; K130-N267 VanDerWaalsContact CA-OD1 3.31Å; K130-N267 WeakPolarHBondContact CA-OD1 3.23Å; K130-N267 VanDerWaalsContact CB-OD1 3.23Å; K130-N267 WeakPolarHBondContact CB-OD1 3.31Å; K130-N267 WeakPolarHBondContact CG-OD1 3.22Å
131	Q	98.5	Very high	98.6	Very high	157 Å²	157	44.7 Å²	44.7	73%	0.734	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-65.4	-19.1	-178.1	72.3	-173.7	10.2	0	0	114.1	R129	R129-Q131 PolarHBondContact O-N 2.85Å
132	E	98.7	Very high	98.6	Very high	35 Å²	35	45.3 Å²	45.3	16%	0.164	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-104.5	-9.4	-178	-63	-173.5	130.8	0	0	113	L128 R129 K130 M134 I135	L128-E132 HydrophobicContact CB-CB 4.27Å; L128-E132 HydrophobicContact CD2-CB 4.37Å; R129-E132 WeakPolarHBondContact O-CA 3.28Å; R129-E132 PolarHBondContact O-N 3.09Å; K130-E132 PolarHBondContact O-N 2.85Å; E132-M134 PolarHBondContact O-N 3.02Å; E132-M134 VanDerWaalsContact O-N 3.08Å; E132-I135 HydrophobicContact CB-CD1 4.27Å; E132-I135 WeakPolarHBondContact O-CG1 3.22Å; E132-I135 PolarHBondContact O-N 3.22Å
133	K	98.8	Very high	98.6	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.6	-176.1	-69.9	-169.1	172.8	-75.4	0	114.6	G69 G104 R105 N127 L128 R129 K130 V265 M266 N267	G69-K133 WeakPolarHBondContact O-CG 3.45Å; G69-K133 PolarHBondContact O-NZ 2.98Å; G104-K133 CarbonylContact C-O 3.41Å; G104-K133 WeakPolarHBondContact CA-O 3.42Å; R105-K133 PolarHBondContact N-O 2.89Å; N127-K133 PolarHBondContact OD1-NZ 2.93Å; L128-K133 HydrophobicContact CB-CG 4.2Å; L128-K133 WeakPolarHBondContact O-CE 3.48Å; L128-K133 PolarHBondContact O-NZ 3.14Å; R129-K133 PolarHBondContact O-N 2.92Å; K130-K133 PolarHBondContact O-N 2.91Å; K133-V265 PolarHBondContact NZ-O 2.63Å; K133-M266 HydrophobicContact CB-CE 4.05Å; K133-M266 HydrophobicContact CD-CE 4.08Å; K133-M266 HydrophobicContact CD-SD 4.17Å; K133-N267 VanDerWaalsContact CD-OD1 3.28Å; K133-N267 WeakPolarHBondContact CD-OD1 3.37Å; K133-N267 WeakPolarHBondContact CE-OD1 3.08Å
134	M	98.7	Very high	98.6	Very high	92 Å²	92	50.5 Å²	50.5	45%	0.453	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	16.9	-177	-61.6	-57.5	-66.9	0	0	113.6	R105 E132 M266	R105-M134 HydrophobicContact CB-CE 3.86Å; R105-M134 HydrophobicContact CB-SD 4.37Å; E132-M134 PolarHBondContact O-N 3.02Å; E132-M134 VanDerWaalsContact O-N 3.08Å; M134-M266 HydrophobicContact SD-CE 4.03Å
135	I	98.6	Very high	98.6	Very high	51 Å²	51	56 Å²	56	26%	0.262	28%	0.279	S	S	.	.	S	Bend	trans	-69.9	166.8	172.8	67.5	-170	0	0	0	111.4	T102 G104 R105 E132 R174	T102-I135 HydrophobicContact CG2-CD1 3.85Å; T102-I135 HydrophobicContact CG2-CG1 4.28Å; G104-I135 CarbonylContact C-O 3.59Å; G104-I135 WeakPolarHBondContact CA-O 3.49Å; R105-I135 PolarHBondContact N-O 3.36Å; E132-I135 HydrophobicContact CB-CD1 4.27Å; E132-I135 WeakPolarHBondContact O-CG1 3.22Å; E132-I135 PolarHBondContact O-N 3.22Å; I135-R174 VanDerWaalsContact CD1-NE 3.29Å
136	E	98.1	Very high	98.6	Very high	137 Å²	137	58.5 Å²	58.5	64%	0.64	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-63.6	143.6	173.3	-49.9	-148.8	117	0	0	111.4	R105	R105-E136 IonicContact CZ-OE1 3.19Å; R105-E136 VanDerWaalsContact NH1-CG 3.3Å; R105-E136 IonicContact NH1-OE1 2.96Å; R105-E136 PolarHBondContact NH1-OE1 2.82Å
137	P	98	Very high	98.6	Very high	38 Å²	38	58.8 Å²	58.8	25%	0.247	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-60	148.5	173.3	-18.3	29.6	0	0	0	111.8	T102 A103 G106	T102-P137 CarbonylContact O-C 3.58Å; T102-P137 WeakPolarHBondContact O-CA 3.22Å; T102-P137 WeakPolarHBondContact O-CB 3.37Å; A103-P137 WeakPolarHBondContact O-CG 3.46Å; G106-P137 WeakPolarHBondContact O-CG 3.29Å
138	A	97.8	Very high	98.5	Very high	31 Å²	31	60.1 Å²	60.1	26%	0.256	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.3	179.5	0	0	0	0	0	111.5	M101 T102	M101-A138 CarbonylContact C-O 3.44Å; M101-A138 WeakPolarHBondContact CA-O 3.32Å; T102-A138 PolarHBondContact N-O 3.01Å; T102-A138 PolarHBondContact O-N 2.85Å
139	Y	98.3	Very high	98.5	Very high	54 Å²	54	64.2 Å²	64.2	21%	0.212	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.7	177.5	-68.4	-90.2	0	0	0	110.9	D85 H89 Q99 M101	D85-Y139 WeakPolarHBondContact OD2-CE2 3.43Å; D85-Y139 PolarHBondContact OD2-OH 3.16Å; H89-Y139 HydrophobicContact CB-CE2 4.32Å; H89-Y139 AromaticContact CD2-CD1 3.91Å; H89-Y139 AromaticContact CD2-CD2 3.64Å; H89-Y139 AromaticContact CD2-CE1 3.95Å; H89-Y139 AromaticContact CD2-CE2 3.69Å; H89-Y139 AromaticContact CD2-CG 3.76Å; H89-Y139 AromaticContact CD2-CZ 3.85Å; H89-Y139 AromaticContact NE2-CG 3.86Å; Q99-Y139 HydrophobicContact CG-CD1 3.98Å; Q99-Y139 HydrophobicContact CG-CE1 4.44Å; M101-Y139 HydrophobicContact CB-CD1 3.88Å; M101-Y139 HydrophobicContact CB-CE1 3.7Å; M101-Y139 HydrophobicContact CG-CD1 3.87Å; M101-Y139 HydrophobicContact CG-CE1 3.34Å; M101-Y139 HydrophobicContact CG-CE2 4.48Å; M101-Y139 HydrophobicContact SD-CE1 3.45Å; M101-Y139 WeakPolarHBondContact SD-CE1 3.48Å; M101-Y139 VanDerWaalsContact SD-CZ 3.57Å; M101-Y139 PolarHBondContact SD-OH 3.32Å
140	Q	98.6	Very high	98.5	Very high	43 Å²	43	66.5 Å²	66.5	20%	0.201	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	109.2	161.3	-60	171.5	83.1	0	0	107.7	W100 Y172	W100-Q140 HydrophobicContact CB-CB 4.23Å; W100-Q140 PolarHBondContact N-O 2.97Å; W100-Q140 PolarHBondContact O-N 3.2Å; Q140-Y172 PolarHBondContact NE2-O 2.89Å
141	E	98.6	Very high	98.5	Very high	66 Å²	66	65.2 Å²	65.2	31%	0.308	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.6	-179.1	-71.5	175.7	-179.3	0	0	109.7	H83 H89 L98 Q99	H83-E141 IonicContact CE1-OE1 3.47Å; H83-E141 PolarHBondContact CE1-OE1 3.47Å; H83-E141 IonicContact NE2-OE1 3.69Å; H83-E141 PolarHBondContact NE2-OE1 3.08Å; H83-E141 VanDerWaalsContact NE2-OE1 3.11Å; H89-E141 IonicContact CD2-OE1 3.93Å; H89-E141 IonicContact CE1-OE1 3.96Å; H89-E141 IonicContact CE1-OE2 3.98Å; H89-E141 IonicContact NE2-OE1 2.75Å; H89-E141 PolarHBondContact NE2-OE1 3.1Å; H89-E141 IonicContact NE2-OE2 2.69Å; L98-E141 VanDerWaalsContact O-CA 3.31Å; L98-E141 WeakPolarHBondContact O-CA 3.28Å; Q99-E141 HydrophobicContact CB-CG 4.13Å; Q99-E141 HydrophobicContact CG-CG 3.94Å; Q99-E141 PolarHBondContact NE2-OE1 3.39Å
142	L	98.7	Very high	98.4	Very high	13 Å²	13	63.9 Å²	63.9	7%	0.068	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.5	177.5	-58.9	-169.3	0	0	0	109.3	D97 L98 E146 I147 K170 V171	D97-L142 WeakPolarHBondContact CA-O 3.4Å; L98-L142 HydrophobicContact CB-CB 4.39Å; L98-L142 HydrophobicContact CD2-CD1 4.42Å; L98-L142 HydrophobicContact CD2-CG 4.48Å; L98-L142 PolarHBondContact N-O 2.7Å; L98-L142 PolarHBondContact O-N 3.29Å; L142-E146 HydrophobicContact CB-CB 4.31Å; L142-I147 HydrophobicContact CB-CG1 3.9Å; L142-I147 HydrophobicContact CD1-CG1 4.31Å; L142-K170 HydrophobicContact CD1-CG 4.01Å; L142-K170 HydrophobicContact CD2-CD 4.18Å; L142-K170 HydrophobicContact CD2-CG 4.35Å; L142-V171 HydrophobicContact CD1-CG2 3.62Å; L142-V171 HydrophobicContact CG-CG2 4.33Å
143	K	98.8	Very high	98.2	Very high	91 Å²	91	65.6 Å²	65.6	40%	0.396	36%	0.355	S	S	.	.			trans	-66.5	153.9	165.2	-65.1	-51.5	-168.3	-174.2	0	110.4	R92 D97 S145 E146 I147	R92-K143 PolarHBondContact O-NZ 2.74Å; D97-K143 VanDerWaalsContact OD1-CA 3.28Å; D97-K143 WeakPolarHBondContact OD1-CA 3.33Å; D97-K143 WeakPolarHBondContact OD2-CD 3.48Å; D97-K143 IonicContact OD2-NZ 2.66Å; D97-K143 PolarHBondContact OD2-NZ 2.83Å; K143-S145 PolarHBondContact O-N 2.85Å; K143-S145 VanDerWaalsContact O-N 3.07Å; K143-E146 HydrophobicContact CB-CG 4.33Å; K143-E146 WeakPolarHBondContact CB-OE2 3.13Å; K143-E146 PolarHBondContact N-OE2 3.27Å; K143-E146 WeakPolarHBondContact O-CA 3.15Å; K143-E146 WeakPolarHBondContact O-CB 3.49Å; K143-E146 PolarHBondContact O-N 2.77Å; K143-I147 PolarHBondContact O-N 2.82Å
144	S	98.6	Very high	98.2	Very high	32 Å²	32	67.2 Å²	67.2	22%	0.224	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-50.5	-36.4	175.5	-174.3	0	0	0	0	112.5	G96 D97 E146 I147 K149	G96-S144 VanDerWaalsContact O-CA 3.26Å; G96-S144 WeakPolarHBondContact O-CA 3.43Å; G96-S144 WeakPolarHBondContact O-CB 3.32Å; D97-S144 PolarHBondContact OD1-N 2.84Å; S144-E146 PolarHBondContact O-N 2.83Å; S144-I147 PolarHBondContact O-N 2.97Å; S144-K149 PolarHBondContact O-NZ 2.87Å; S144-K149 PolarHBondContact OG-NZ 2.58Å
145	S	98.4	Very high	98.2	Very high	114 Å²	114	63.4 Å²	63.4	80%	0.797	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-66.7	-20.8	176.3	51.9	0	0	0	0	114.5	K143	K143-S145 PolarHBondContact O-N 2.85Å; K143-S145 VanDerWaalsContact O-N 3.07Å
146	E	98.6	Very high	98.2	Very high	79 Å²	79	63.3 Å²	63.3	37%	0.369	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-95.5	-17.1	-179.7	-58.3	178.3	81.8	0	0	113	L142 K143 S144 P148 K170	L142-E146 HydrophobicContact CB-CB 4.31Å; K143-E146 HydrophobicContact CB-CG 4.33Å; K143-E146 WeakPolarHBondContact CB-OE2 3.13Å; K143-E146 PolarHBondContact N-OE2 3.27Å; K143-E146 WeakPolarHBondContact O-CA 3.15Å; K143-E146 WeakPolarHBondContact O-CB 3.49Å; K143-E146 PolarHBondContact O-N 2.77Å; S144-E146 PolarHBondContact O-N 2.83Å; E146-P148 WeakPolarHBondContact O-CD 3.5Å; E146-K170 IonicContact OE1-NZ 3.91Å; E146-K170 PolarHBondContact OE1-NZ 2.85Å
147	I	98.8	Very high	98.2	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.031	33%	0.325	C	S	.	.	S	Bend	trans	-77.8	119.8	173.8	-59.6	-178.1	0	0	0	108.4	Y75 G96 L98 L142 K143 S144 K149 A158	Y75-I147 HydrophobicContact CE2-CD1 4.22Å; G96-I147 VanDerWaalsContact O-CD1 3.22Å; G96-I147 WeakPolarHBondContact O-CD1 3.38Å; L98-I147 HydrophobicContact CB-CD1 3.68Å; L142-I147 HydrophobicContact CB-CG1 3.9Å; L142-I147 HydrophobicContact CD1-CG1 4.31Å; K143-I147 PolarHBondContact O-N 2.82Å; S144-I147 PolarHBondContact O-N 2.97Å; I147-K149 PolarHBondContact O-N 2.92Å; I147-A158 HydrophobicContact CG2-CB 4.17Å
148	P	98.6	Very high	98.3	Very high	30 Å²	30	55.2 Å²	55.2	20%	0.195	32%	0.315	C	S	.	.			trans	-59.6	123.7	179.3	-22.3	32.9	0	0	0	111.1	E146 A158 V159 A167	E146-P148 WeakPolarHBondContact O-CD 3.5Å; P148-A158 WeakPolarHBondContact O-CA 3.12Å; P148-V159 HydrophobicContact CB-CB 4.36Å; P148-V159 PolarHBondContact O-N 2.89Å; P148-A167 HydrophobicContact CB-CB 3.99Å
149	K	98.6	Very high	98.3	Very high	86 Å²	86	53.7 Å²	53.7	37%	0.374	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.9	171.5	-59.9	-172.9	-179.5	77.1	0	109.7	S144 I147 V157 A158	S144-K149 PolarHBondContact O-NZ 2.87Å; S144-K149 PolarHBondContact OG-NZ 2.58Å; I147-K149 PolarHBondContact O-N 2.92Å; K149-V157 VanDerWaalsContact CA-O 3.3Å; K149-V157 WeakPolarHBondContact CA-O 3.37Å; K149-A158 HydrophobicContact CD-CB 4.49Å; K149-A158 HydrophobicContact CG-CB 4Å
150	R	98.3	Very high	98.3	Very high	126 Å²	126	51.1 Å²	51.1	48%	0.475	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.5	177.9	-69	-65.6	-179.7	-109.6	4.6	109.9	T156 V157 L165 A167	R150-T156 CarbonylContact O-C 3.54Å; R150-T156 WeakPolarHBondContact O-CA 3.3Å; R150-V157 HydrophobicContact CB-CG1 4.15Å; R150-V157 PolarHBondContact N-O 2.94Å; R150-V157 PolarHBondContact O-N 2.82Å; R150-L165 HydrophobicContact CB-CB 4.01Å; R150-L165 HydrophobicContact CB-CD1 4.03Å; R150-L165 HydrophobicContact CG-CB 4.41Å; R150-A167 HydrophobicContact CG-CB 3.53Å
151	S	98	Very high	98.4	Very high	87 Å²	87	49.1 Å²	49.1	61%	0.608	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.6	175.5	-55.9	0	0	0	0	110.2	I155 T156	S151-I155 CarbonylContact C-O 3.58Å; S151-I155 WeakPolarHBondContact CA-O 3.43Å; S151-I155 WeakPolarHBondContact CB-O 3.37Å; S151-T156 WeakPolarHBondContact OG-CG2 3.45Å; S151-T156 PolarHBondContact OG-OG1 2.79Å
152	Q	96.6	Very high	98.4	Very high	130 Å²	130	47.2 Å²	47.2	61%	0.607	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.6	131	178.4	-175	176.6	4.4	0	0	109.3	G154 I155 L165	Q152-G154 VanDerWaalsContact C-N 3.34Å; Q152-G154 PolarHBondContact O-N 2.85Å; Q152-I155 PolarHBondContact N-O 2.84Å; Q152-I155 VanDerWaalsContact O-CB 3.27Å; Q152-I155 WeakPolarHBondContact O-CB 3.39Å; Q152-I155 PolarHBondContact O-N 2.74Å; Q152-L165 HydrophobicContact CB-CD1 4.22Å
153	G	95.3	Very high	98.4	Very high	71 Å²	71	51.4 Å²	51.4	73%	0.732	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	40.7	171	0	0	0	0	0	115.2	I155	G153-I155 VanDerWaalsContact C-N 3.25Å; G153-I155 PolarHBondContact O-N 2.98Å
154	G	98	Very high	98.3	Very high	35 Å²	35	47.2 Å²	47.2	36%	0.361	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	2.3	-177.8	0	0	0	0	0	115	Q152 Q185	Q152-G154 VanDerWaalsContact C-N 3.34Å; Q152-G154 PolarHBondContact O-N 2.85Å; G154-Q185 WeakPolarHBondContact O-CB 3.14Å; G154-Q185 WeakPolarHBondContact O-CG 3.4Å; G154-Q185 PolarHBondContact O-N 2.79Å
155	I	98.5	Very high	98.3	Very high	12 Å²	12	47.9 Å²	47.9	6%	0.062	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	139.5	172.5	-53.7	151.3	0	0	0	108.1	S151 Q152 G153 F182 L184 A188 H190	S151-I155 CarbonylContact C-O 3.58Å; S151-I155 WeakPolarHBondContact CA-O 3.43Å; S151-I155 WeakPolarHBondContact CB-O 3.37Å; Q152-I155 PolarHBondContact N-O 2.84Å; Q152-I155 VanDerWaalsContact O-CB 3.27Å; Q152-I155 WeakPolarHBondContact O-CB 3.39Å; Q152-I155 PolarHBondContact O-N 2.74Å; G153-I155 VanDerWaalsContact C-N 3.25Å; G153-I155 PolarHBondContact O-N 2.98Å; I155-F182 HydrophobicContact CG2-CD1 3.77Å; I155-F182 HydrophobicContact CG2-CE1 3.9Å; I155-L184 HydrophobicContact CG1-CG 4.43Å; I155-L184 HydrophobicContact CG2-CD1 4.16Å; I155-A188 HydrophobicContact CG1-CB 4.27Å; I155-H190 HydrophobicContact CD1-CB 3.67Å; I155-H190 HydrophobicContact CG1-CB 4.27Å
156	T	98.8	Very high	98.2	Very high	49 Å²	49	45.7 Å²	45.7	30%	0.301	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.2	162.1	-62.9	0	0	0	0	108.6	R150 S151 F182 K183	R150-T156 CarbonylContact O-C 3.54Å; R150-T156 WeakPolarHBondContact O-CA 3.3Å; S151-T156 WeakPolarHBondContact OG-CG2 3.45Å; S151-T156 PolarHBondContact OG-OG1 2.79Å; T156-F182 CarbonylContact O-C 3.59Å; T156-F182 WeakPolarHBondContact O-CA 3.4Å; T156-K183 PolarHBondContact N-O 2.85Å; T156-K183 PolarHBondContact O-N 2.86Å
157	V	98.9	Very high	98.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.4	178.1	65	0	0	0	0	110.7	K149 R150 V159 A164 L165 L180 D181 F182	K149-V157 VanDerWaalsContact CA-O 3.3Å; K149-V157 WeakPolarHBondContact CA-O 3.37Å; R150-V157 HydrophobicContact CB-CG1 4.15Å; R150-V157 PolarHBondContact N-O 2.94Å; R150-V157 PolarHBondContact O-N 2.82Å; V157-V159 HydrophobicContact CG1-CG2 4.42Å; V157-A164 HydrophobicContact CG1-CB 4.04Å; V157-A164 HydrophobicContact CG2-CB 4.1Å; V157-L165 HydrophobicContact CG1-CD1 3.79Å; V157-L165 HydrophobicContact CG1-CG 4.1Å; V157-L180 HydrophobicContact CG2-CB 3.92Å; V157-L180 HydrophobicContact CG2-CD2 4.18Å; V157-L180 HydrophobicContact CG2-CG 4.47Å; V157-D181 CarbonylContact C-O 3.59Å; V157-D181 WeakPolarHBondContact CA-O 3.49Å; V157-F182 HydrophobicContact CB-CD1 3.76Å; V157-F182 HydrophobicContact CB-CE1 3.59Å; V157-F182 HydrophobicContact CB-CG 4.45Å; V157-F182 HydrophobicContact CB-CZ 4.15Å; V157-F182 HydrophobicContact CG1-CE1 4.38Å; V157-F182 HydrophobicContact CG2-CD1 3.89Å; V157-F182 HydrophobicContact CG2-CD2 4.22Å; V157-F182 HydrophobicContact CG2-CE1 3.62Å; V157-F182 HydrophobicContact CG2-CE2 3.97Å; V157-F182 HydrophobicContact CG2-CG 4.19Å; V157-F182 HydrophobicContact CG2-CZ 3.65Å
158	A	98.9	Very high	98.2	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.033	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123.2	162.4	0	0	0	0	0	109	I147 P148 K149 I160 D181	I147-A158 HydrophobicContact CG2-CB 4.17Å; P148-A158 WeakPolarHBondContact O-CA 3.12Å; K149-A158 HydrophobicContact CD-CB 4.49Å; K149-A158 HydrophobicContact CG-CB 4Å; A158-I160 PolarHBondContact O-N 3Å; A158-D181 HydrophobicContact CB-CB 4.21Å; A158-D181 PolarHBondContact N-O 2.86Å; A158-D181 PolarHBondContact O-N 2.91Å
159	V	98.9	Very high	98.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	87	-175.5	-170.4	0	0	0	0	109	P148 V157 G162 A164 A167 S169 L180	P148-V159 HydrophobicContact CB-CB 4.36Å; P148-V159 PolarHBondContact O-N 2.89Å; V157-V159 HydrophobicContact CG1-CG2 4.42Å; V159-G162 WeakPolarHBondContact CG1-O 3.5Å; V159-A164 HydrophobicContact CG2-CB 4.13Å; V159-A167 HydrophobicContact CG2-CB 4.23Å; V159-S169 WeakPolarHBondContact O-CB 3.43Å; V159-L180 HydrophobicContact CB-CD2 4.24Å; V159-L180 HydrophobicContact CG1-CD2 3.84Å; V159-L180 HydrophobicContact CG2-CD2 4.26Å
160	I	98.9	Very high	98.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	-51.5	-178.3	-61.8	162.5	0	0	0	109.4	Y75 L98 A158 S169 V171 Y179 D181	Y75-I160 HydrophobicContact CD1-CD1 3.83Å; Y75-I160 HydrophobicContact CD2-CD1 4.03Å; Y75-I160 HydrophobicContact CD2-CG1 4.31Å; Y75-I160 HydrophobicContact CE1-CD1 3.91Å; Y75-I160 HydrophobicContact CE2-CD1 4.13Å; Y75-I160 HydrophobicContact CE2-CG1 4.22Å; Y75-I160 HydrophobicContact CG-CD1 3.88Å; L98-I160 HydrophobicContact CD1-CG2 3.58Å; L98-I160 HydrophobicContact CD2-CG2 3.69Å; L98-I160 HydrophobicContact CG-CG2 4.23Å; A158-I160 PolarHBondContact O-N 3Å; I160-S169 WeakPolarHBondContact O-CB 3.4Å; I160-S169 PolarHBondContact O-OG 2.61Å; I160-V171 WeakPolarHBondContact O-CG2 3.43Å; I160-Y179 WeakPolarHBondContact CA-O 3.12Å; I160-Y179 HydrophobicContact CB-CD1 4.44Å; I160-Y179 HydrophobicContact CB-CD2 4.39Å; I160-Y179 HydrophobicContact CB-CG 4.04Å; I160-Y179 VanDerWaalsContact CB-O 3.27Å; I160-Y179 WeakPolarHBondContact CB-O 3.35Å; I160-Y179 HydrophobicContact CD1-CD1 3.56Å; I160-Y179 HydrophobicContact CD1-CD2 4.25Å; I160-Y179 HydrophobicContact CD1-CE1 3.54Å; I160-Y179 HydrophobicContact CD1-CE2 4.26Å; I160-Y179 HydrophobicContact CD1-CG 3.93Å; I160-Y179 HydrophobicContact CG2-CD2 3.87Å; I160-Y179 HydrophobicContact CG2-CE2 4.47Å; I160-Y179 HydrophobicContact CG2-CG 4.03Å; I160-Y179 PolarHBondContact N-O 2.76Å; I160-D181 HydrophobicContact CD1-CB 4.14Å
161	S	98.9	Very high	98.2	Very high	0 Å²	0	45 Å²	45	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	156	169.4	62.3	0	0	0	0	110.9	T177 Y179	S161-T177 PolarHBondContact OG-O 2.99Å; S161-T177 VanDerWaalsContact OG-O 3.13Å; S161-Y179 PolarHBondContact N-O 2.88Å; S161-Y179 VanDerWaalsContact N-O 3.1Å; S161-Y179 PolarHBondContact O-N 2.74Å; S161-Y179 VanDerWaalsContact OG-CB 3.32Å; S161-Y179 WeakPolarHBondContact OG-CB 3.37Å; S161-Y179 PolarHBondContact OG-N 3.27Å; S161-Y179 VanDerWaalsContact OG-N 3.11Å
162	G	98.6	Very high	98.2	Very high	27 Å²	27	47.4 Å²	47.4	28%	0.278	28%	0.275	S	S	.	.	S	Bend	trans	80.9	-142	-175.9	0	0	0	0	0	113.5	V159 K168 S169	V159-G162 WeakPolarHBondContact CG1-O 3.5Å; G162-K168 WeakPolarHBondContact O-CA 3.34Å; G162-S169 PolarHBondContact O-N 2.77Å
163	E	98.7	Very high	98.3	Very high	101 Å²	101	42.6 Å²	42.6	47%	0.472	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	137.1	-172.5	-171.9	-179.5	151.8	0	0	112.6	A167 K168 Q192	E163-A167 VanDerWaalsContact CA-O 3.3Å; E163-A167 WeakPolarHBondContact CA-O 3.43Å; E163-A167 WeakPolarHBondContact CG-O 3.36Å; E163-K168 HydrophobicContact CB-CB 4.48Å; E163-K168 HydrophobicContact CG-CB 4.31Å; E163-Q192 PolarHBondContact O-NE2 3.23Å; E163-Q192 VanDerWaalsContact O-NE2 3.16Å
164	A	98.5	Very high	98.5	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	144.4	169.5	0	0	0	0	0	111	V157 V159 G166 A167 L180	V157-A164 HydrophobicContact CG1-CB 4.04Å; V157-A164 HydrophobicContact CG2-CB 4.1Å; V159-A164 HydrophobicContact CG2-CB 4.13Å; A164-G166 PolarHBondContact O-N 2.91Å; A164-G166 VanDerWaalsContact O-N 3.15Å; A164-A167 PolarHBondContact N-O 3.23Å; A164-A167 PolarHBondContact O-N 2.98Å; A164-L180 HydrophobicContact CB-CD1 3.8Å; A164-L180 HydrophobicContact CB-CD2 3.75Å; A164-L180 HydrophobicContact CB-CG 4.41Å
165	L	97.5	Very high	98.5	Very high	46 Å²	46	39.9 Å²	39.9	24%	0.241	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.2	-179.6	-56.9	-177.8	0	0	0	113.2	R150 Q152 V157 A167	R150-L165 HydrophobicContact CB-CB 4.01Å; R150-L165 HydrophobicContact CB-CD1 4.03Å; R150-L165 HydrophobicContact CG-CB 4.41Å; Q152-L165 HydrophobicContact CB-CD1 4.22Å; V157-L165 HydrophobicContact CG1-CD1 3.79Å; V157-L165 HydrophobicContact CG1-CG 4.1Å; L165-A167 PolarHBondContact O-N 3.35Å
166	G	97.1	Very high	98.5	Very high	68 Å²	68	40.9 Å²	40.9	70%	0.701	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.4	6.3	-178.8	0	0	0	0	0	115.3	A164	A164-G166 PolarHBondContact O-N 2.91Å; A164-G166 VanDerWaalsContact O-N 3.15Å
167	A	98.1	Very high	98.5	Very high	5 Å²	5	38.7 Å²	38.7	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130.2	171.8	0	0	0	0	0	110.4	P148 R150 V159 E163 A164 L165	P148-A167 HydrophobicContact CB-CB 3.99Å; R150-A167 HydrophobicContact CG-CB 3.53Å; V159-A167 HydrophobicContact CG2-CB 4.23Å; E163-A167 VanDerWaalsContact CA-O 3.3Å; E163-A167 WeakPolarHBondContact CA-O 3.43Å; E163-A167 WeakPolarHBondContact CG-O 3.36Å; A164-A167 PolarHBondContact N-O 3.23Å; A164-A167 PolarHBondContact O-N 2.98Å; L165-A167 PolarHBondContact O-N 3.35Å
168	K	98.4	Very high	98.5	Very high	154 Å²	154	39.1 Å²	39.1	67%	0.67	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.7	-179.8	-172.6	174.8	-179.9	175.8	0	110.5	G162 E163	G162-K168 WeakPolarHBondContact O-CA 3.34Å; E163-K168 HydrophobicContact CB-CB 4.48Å; E163-K168 HydrophobicContact CG-CB 4.31Å
169	S	98.6	Very high	98.5	Very high	12 Å²	12	38.9 Å²	38.9	8%	0.084	21%	0.206	C	C	.	.			trans	-70.9	149.8	173.7	-177.8	0	0	0	0	111.3	V159 I160 G162 V171	V159-S169 WeakPolarHBondContact O-CB 3.43Å; I160-S169 WeakPolarHBondContact O-CB 3.4Å; I160-S169 PolarHBondContact O-OG 2.61Å; G162-S169 PolarHBondContact O-N 2.77Å; S169-V171 VanDerWaalsContact C-N 3.34Å; S169-V171 WeakPolarHBondContact OG-CG2 3.19Å; S169-V171 PolarHBondContact OG-N 2.91Å; S169-V171 VanDerWaalsContact OG-N 3.12Å
170	K	98.3	Very high	98.5	Very high	129 Å²	129	38.9 Å²	38.9	56%	0.561	21%	0.206	S	C	*	.			trans	-85.3	-6.1	170.5	62	172.1	166.1	156.3	0	113.5	L142 E146 Y172	L142-K170 HydrophobicContact CD1-CG 4.01Å; L142-K170 HydrophobicContact CD2-CD 4.18Å; L142-K170 HydrophobicContact CD2-CG 4.35Å; E146-K170 IonicContact OE1-NZ 3.91Å; E146-K170 PolarHBondContact OE1-NZ 2.85Å; K170-Y172 PolarHBondContact O-N 2.91Å
171	V	98.6	Very high	98.5	Very high	13 Å²	13	39.4 Å²	39.4	8%	0.079	21%	0.209	C	C	.	.			trans	-64.5	124.7	177.8	176.8	0	0	0	0	109.7	L98 W100 L142 I160 S169 T173	L98-V171 HydrophobicContact CD2-CG2 3.72Å; W100-V171 HydrophobicContact CB-CG1 4.5Å; W100-V171 HydrophobicContact CD2-CG1 3.83Å; W100-V171 HydrophobicContact CE3-CG1 3.6Å; W100-V171 HydrophobicContact CG-CG1 4.26Å; W100-V171 HydrophobicContact CZ3-CG1 4.1Å; L142-V171 HydrophobicContact CD1-CG2 3.62Å; L142-V171 HydrophobicContact CG-CG2 4.33Å; I160-V171 WeakPolarHBondContact O-CG2 3.43Å; S169-V171 VanDerWaalsContact C-N 3.34Å; S169-V171 WeakPolarHBondContact OG-CG2 3.19Å; S169-V171 PolarHBondContact OG-N 2.91Å; S169-V171 VanDerWaalsContact OG-N 3.12Å; V171-T173 HydrophobicContact CG1-CG2 4.21Å
172	Y	98.7	Very high	98.5	Very high	137 Å²	137	39.4 Å²	39.4	54%	0.537	21%	0.209	S	C	.	.			trans	-80.5	127.3	169.6	176.5	-108	0	0	0	109.9	Q140 K170 R174	Q140-Y172 PolarHBondContact NE2-O 2.89Å; K170-Y172 PolarHBondContact O-N 2.91Å; Y172-R174 HydrophobicContact CD1-CG 4.22Å; Y172-R174 HydrophobicContact CE1-CG 3.54Å
173	T	98.8	Very high	98.6	Very high	28 Å²	28	42.7 Å²	42.7	17%	0.172	22%	0.215	C	C	.	.			trans	-113.5	113	179.7	54.6	0	0	0	0	109.3	W100 V171 T177	W100-T173 HydrophobicContact CH2-CG2 3.51Å; W100-T173 HydrophobicContact CZ2-CG2 3.6Å; W100-T173 HydrophobicContact CZ3-CG2 4.17Å; V171-T173 HydrophobicContact CG1-CG2 4.21Å; T173-T177 PolarHBondContact OG1-N 2.95Å
174	R	98.6	Very high	98.6	Very high	49 Å²	49	37.9 Å²	37.9	19%	0.185	19%	0.193	C	C	.	.	S	Bend	trans	-65.6	-49.4	-179.7	-77.4	172.9	-179.9	76	-3.6	111.1	E71 T102 L128 I135 Y172 P176	E71-R174 IonicContact OE1-NH1 3.6Å; E71-R174 PolarHBondContact OE1-NH1 2.83Å; T102-R174 PolarHBondContact OG1-NH1 2.77Å; L128-R174 HydrophobicContact CD2-CB 3.72Å; L128-R174 HydrophobicContact CD2-CG 4.43Å; I135-R174 VanDerWaalsContact CD1-NE 3.29Å; Y172-R174 HydrophobicContact CD1-CG 4.22Å; Y172-R174 HydrophobicContact CE1-CG 3.54Å; R174-P176 WeakPolarHBondContact O-CD 3.45Å
175	T	98.8	Very high	98.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-89.3	111.4	161.3	-60.3	0	0	0	0	107.6	P47 V126 N127 T177 I254	P47-T175 HydrophobicContact CB-CG2 3.51Å; P47-T175 HydrophobicContact CG-CG2 3.76Å; V126-T175 HydrophobicContact CG1-CG2 4.14Å; N127-T175 WeakPolarHBondContact O-CB 3.4Å; N127-T175 PolarHBondContact O-OG1 3.11Å; T175-T177 PolarHBondContact O-N 3.36Å; T175-T177 VanDerWaalsContact O-N 3.1Å; T175-T177 PolarHBondContact O-OG1 3.13Å; T175-I254 HydrophobicContact CG2-CD1 4.08Å; T175-I254 HydrophobicContact CG2-CG1 4.04Å
176	P	98.8	Very high	98.6	Very high	33 Å²	33	42.9 Å²	42.9	21%	0.214	22%	0.224	C	C	.	.			trans	-52	121.1	-174.2	-31	38.6	0	0	0	111.9	R174 W198 G251 E252	R174-P176 WeakPolarHBondContact O-CD 3.45Å; P176-W198 HydrophobicContact CB-CH2 3.55Å; P176-W198 HydrophobicContact CB-CZ2 3.43Å; P176-W198 VanDerWaalsContact CB-CZ2 3.43Å; P176-G251 WeakPolarHBondContact O-CA 3.45Å; P176-E252 HydrophobicContact CB-CB 4.08Å; P176-E252 WeakPolarHBondContact CD-OE2 3.4Å; P176-E252 HydrophobicContact CG-CB 4.31Å; P176-E252 WeakPolarHBondContact CG-OE2 3.21Å; P176-E252 PolarHBondContact O-N 2.82Å
177	T	98.9	Very high	98.7	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	137.5	-173.2	-59.7	0	0	0	0	110.6	F48 W100 S161 T173 T175 A250	F48-T177 HydrophobicContact CE1-CG2 4.06Å; F48-T177 HydrophobicContact CZ-CG2 4.32Å; W100-T177 HydrophobicContact CH2-CG2 3.85Å; S161-T177 PolarHBondContact OG-O 2.99Å; S161-T177 VanDerWaalsContact OG-O 3.13Å; T173-T177 PolarHBondContact OG1-N 2.95Å; T175-T177 PolarHBondContact O-N 3.36Å; T175-T177 VanDerWaalsContact O-N 3.1Å; T175-T177 PolarHBondContact O-OG1 3.13Å; T177-A250 CarbonylContact C-O 3.48Å; T177-A250 WeakPolarHBondContact CA-O 3.48Å
178	L	98.9	Very high	98.7	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.047	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.7	167.3	177.5	71.2	0	0	0	106.9	L180 V194 W198 I249 A250	L178-L180 HydrophobicContact CD1-CD1 3.91Å; L178-L180 HydrophobicContact CD1-CD2 3.95Å; L178-L180 HydrophobicContact CD1-CG 3.85Å; L178-L180 HydrophobicContact CD2-CD1 4.12Å; L178-L180 HydrophobicContact CG-CD1 4.08Å; L178-L180 HydrophobicContact CG-CG 4.02Å; L178-V194 HydrophobicContact CD2-CG2 4.15Å; L178-W198 HydrophobicContact CB-CZ3 4.08Å; L178-I249 CarbonylContact O-C 3.6Å; L178-I249 VanDerWaalsContact O-CA 3.29Å; L178-I249 WeakPolarHBondContact O-CA 3.43Å; L178-A250 HydrophobicContact CB-CB 4.25Å; L178-A250 HydrophobicContact CD2-CB 4.44Å; L178-A250 PolarHBondContact N-O 2.74Å; L178-A250 PolarHBondContact O-N 3.33Å
179	Y	98.9	Very high	98.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	113.5	177	-169.1	-9	0	0	0	107.9	V73 L122 L124 I160 S161 V247 I249	V73-Y179 HydrophobicContact CG1-CD2 4.21Å; V73-Y179 HydrophobicContact CG1-CE2 4.08Å; L122-Y179 WeakPolarHBondContact CB-OH 3.47Å; L122-Y179 VanDerWaalsContact CD1-OH 3.28Å; L122-Y179 WeakPolarHBondContact CD1-OH 3.49Å; L124-Y179 HydrophobicContact CD2-CD2 4.25Å; L124-Y179 HydrophobicContact CD2-CE2 4.26Å; I160-Y179 WeakPolarHBondContact CA-O 3.12Å; I160-Y179 HydrophobicContact CB-CD1 4.44Å; I160-Y179 HydrophobicContact CB-CD2 4.39Å; I160-Y179 HydrophobicContact CB-CG 4.04Å; I160-Y179 VanDerWaalsContact CB-O 3.27Å; I160-Y179 WeakPolarHBondContact CB-O 3.35Å; I160-Y179 HydrophobicContact CD1-CD1 3.56Å; I160-Y179 HydrophobicContact CD1-CD2 4.25Å; I160-Y179 HydrophobicContact CD1-CE1 3.54Å; I160-Y179 HydrophobicContact CD1-CE2 4.26Å; I160-Y179 HydrophobicContact CD1-CG 3.93Å; I160-Y179 HydrophobicContact CG2-CD2 3.87Å; I160-Y179 HydrophobicContact CG2-CE2 4.47Å; I160-Y179 HydrophobicContact CG2-CG 4.03Å; I160-Y179 PolarHBondContact N-O 2.76Å; S161-Y179 PolarHBondContact N-O 2.88Å; S161-Y179 VanDerWaalsContact N-O 3.1Å; S161-Y179 PolarHBondContact O-N 2.74Å; S161-Y179 VanDerWaalsContact OG-CB 3.32Å; S161-Y179 WeakPolarHBondContact OG-CB 3.37Å; S161-Y179 PolarHBondContact OG-N 3.27Å; S161-Y179 VanDerWaalsContact OG-N 3.11Å; Y179-V247 HydrophobicContact CD1-CB 4.38Å; Y179-V247 HydrophobicContact CE1-CB 3.75Å; Y179-V247 HydrophobicContact CE1-CG1 3.79Å; Y179-V247 HydrophobicContact CE1-CG2 4.16Å; Y179-I249 HydrophobicContact CD1-CD1 3.92Å; Y179-I249 HydrophobicContact CD1-CG1 3.53Å; Y179-I249 HydrophobicContact CE1-CD1 3.66Å; Y179-I249 HydrophobicContact CE1-CG1 3.78Å; Y179-I249 HydrophobicContact CE2-CD1 4.29Å; Y179-I249 HydrophobicContact CG-CD1 4.37Å; Y179-I249 HydrophobicContact CG-CG1 4.01Å
180	L	98.9	Very high	98.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.3	-176	-56.4	175.9	0	0	0	110.1	V157 V159 A164 L178 F182 Q192 V247 L248	V157-L180 HydrophobicContact CG2-CB 3.92Å; V157-L180 HydrophobicContact CG2-CD2 4.18Å; V157-L180 HydrophobicContact CG2-CG 4.47Å; V159-L180 HydrophobicContact CB-CD2 4.24Å; V159-L180 HydrophobicContact CG1-CD2 3.84Å; V159-L180 HydrophobicContact CG2-CD2 4.26Å; A164-L180 HydrophobicContact CB-CD1 3.8Å; A164-L180 HydrophobicContact CB-CD2 3.75Å; A164-L180 HydrophobicContact CB-CG 4.41Å; L178-L180 HydrophobicContact CD1-CD1 3.91Å; L178-L180 HydrophobicContact CD1-CD2 3.95Å; L178-L180 HydrophobicContact CD1-CG 3.85Å; L178-L180 HydrophobicContact CD2-CD1 4.12Å; L178-L180 HydrophobicContact CG-CD1 4.08Å; L178-L180 HydrophobicContact CG-CG 4.02Å; L180-F182 HydrophobicContact CB-CD2 3.89Å; L180-F182 HydrophobicContact CB-CE2 3.46Å; L180-F182 VanDerWaalsContact CB-CE2 3.46Å; L180-F182 HydrophobicContact CB-CZ 4.28Å; L180-F182 HydrophobicContact CD1-CE2 3.6Å; L180-F182 HydrophobicContact CD1-CZ 3.88Å; L180-F182 HydrophobicContact CG-CE2 4.19Å; L180-Q192 HydrophobicContact CD1-CG 3.78Å; L180-V247 CarbonylContact O-C 3.59Å; L180-V247 WeakPolarHBondContact O-CA 3.37Å; L180-L248 HydrophobicContact CD1-CD2 4.39Å; L180-L248 PolarHBondContact N-O 3.21Å; L180-L248 PolarHBondContact O-N 3.05Å
181	D	98.9	Very high	98.6	Very high	11 Å²	11	35.5 Å²	35.5	6%	0.059	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	114.3	170.9	164.2	19	0	0	0	109.2	Y75 V157 A158 I160 H245 V247	Y75-D181 HydrophobicContact CE1-CB 3.91Å; Y75-D181 WeakPolarHBondContact CE1-OD2 3.45Å; Y75-D181 PolarHBondContact OH-OD2 3.47Å; V157-D181 CarbonylContact C-O 3.59Å; V157-D181 WeakPolarHBondContact CA-O 3.49Å; A158-D181 HydrophobicContact CB-CB 4.21Å; A158-D181 PolarHBondContact N-O 2.86Å; A158-D181 PolarHBondContact O-N 2.91Å; I160-D181 HydrophobicContact CD1-CB 4.14Å; D181-H245 IonicContact OD1-CD2 3.63Å; D181-H245 PolarHBondContact OD1-CD2 3.01Å; D181-H245 VanDerWaalsContact OD1-CD2 3.22Å; D181-H245 IonicContact OD1-NE2 3.71Å; D181-H245 PolarHBondContact OD1-NE2 2.84Å; D181-H245 IonicContact OD2-NE2 3.35Å; D181-V247 HydrophobicContact CB-CG1 4.13Å
182	F	98.9	Very high	98.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.1	-175.4	-81.3	-79.9	0	0	0	112.4	I155 T156 V157 L180 L184 H190 F236 H245 F246 L248	I155-F182 HydrophobicContact CG2-CD1 3.77Å; I155-F182 HydrophobicContact CG2-CE1 3.9Å; T156-F182 CarbonylContact O-C 3.59Å; T156-F182 WeakPolarHBondContact O-CA 3.4Å; V157-F182 HydrophobicContact CB-CD1 3.76Å; V157-F182 HydrophobicContact CB-CE1 3.59Å; V157-F182 HydrophobicContact CB-CG 4.45Å; V157-F182 HydrophobicContact CB-CZ 4.15Å; V157-F182 HydrophobicContact CG1-CE1 4.38Å; V157-F182 HydrophobicContact CG2-CD1 3.89Å; V157-F182 HydrophobicContact CG2-CD2 4.22Å; V157-F182 HydrophobicContact CG2-CE1 3.62Å; V157-F182 HydrophobicContact CG2-CE2 3.97Å; V157-F182 HydrophobicContact CG2-CG 4.19Å; V157-F182 HydrophobicContact CG2-CZ 3.65Å; L180-F182 HydrophobicContact CB-CD2 3.89Å; L180-F182 HydrophobicContact CB-CE2 3.46Å; L180-F182 VanDerWaalsContact CB-CE2 3.46Å; L180-F182 HydrophobicContact CB-CZ 4.28Å; L180-F182 HydrophobicContact CD1-CE2 3.6Å; L180-F182 HydrophobicContact CD1-CZ 3.88Å; L180-F182 HydrophobicContact CG-CE2 4.19Å; F182-L184 HydrophobicContact CB-CD1 3.9Å; F182-L184 HydrophobicContact CD1-CD1 4.08Å; F182-L184 HydrophobicContact CG-CD1 4.37Å; F182-H190 AromaticContact CE1-CD2 3.79Å; F182-H190 AromaticContact CZ-CD2 3.83Å; F182-F236 HydrophobicContact CD1-CE2 4.21Å; F182-F236 HydrophobicContact CD1-CZ 4.01Å; F182-F236 AromaticContact CD2-CZ 3.97Å; F182-F236 HydrophobicContact CD2-CZ 3.97Å; F182-F236 HydrophobicContact CE1-CE2 4.35Å; F182-F236 AromaticContact CE1-CZ 3.86Å; F182-F236 HydrophobicContact CE1-CZ 3.86Å; F182-F236 HydrophobicContact CE2-CE1 4.38Å; F182-F236 AromaticContact CE2-CZ 3.81Å; F182-F236 HydrophobicContact CE2-CZ 3.81Å; F182-F236 HydrophobicContact CG-CE2 4.4Å; F182-F236 HydrophobicContact CG-CZ 4.06Å; F182-F236 AromaticContact CZ-CZ 3.77Å; F182-F236 HydrophobicContact CZ-CZ 3.77Å; F182-H245 WeakPolarHBondContact O-CA 3.26Å; F182-H245 PolarHBondContact O-CD2 3.1Å; F182-F246 HydrophobicContact CB-CD1 4.5Å; F182-F246 HydrophobicContact CB-CD2 4.17Å; F182-F246 HydrophobicContact CB-CE1 4.04Å; F182-F246 HydrophobicContact CB-CE2 3.69Å; F182-F246 HydrophobicContact CB-CZ 3.6Å; F182-F246 AromaticContact CD2-CE2 4Å; F182-F246 HydrophobicContact CD2-CE2 4Å; F182-F246 HydrophobicContact CG-CE2 4.07Å; F182-F246 HydrophobicContact CG-CZ 4.14Å; F182-F246 PolarHBondContact N-O 3.18Å; F182-F246 PolarHBondContact O-N 2.92Å; F182-L248 HydrophobicContact CD2-CB 4.25Å; F182-L248 HydrophobicContact CE2-CB 4.17Å; F182-L248 HydrophobicContact CE2-CD2 4.37Å
183	K	98.9	Very high	98.6	Very high	95 Å²	95	32.1 Å²	32.1	41%	0.413	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.8	163.4	-65.3	-179.7	-176.8	179.6	0	110	T156 V243 S244 H245	T156-K183 PolarHBondContact N-O 2.85Å; T156-K183 PolarHBondContact O-N 2.86Å; K183-V243 HydrophobicContact CB-CG1 4.22Å; K183-S244 CarbonylContact C-O 3.5Å; K183-S244 VanDerWaalsContact CA-O 3.31Å; K183-S244 WeakPolarHBondContact CA-O 3.08Å; K183-H245 WeakPolarHBondContact CE-NE2 3.35Å; K183-H245 HydrophobicContact CG-CB 4.29Å
184	L	98.8	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.8	-178	-87.3	66.4	0	0	0	110.8	I155 F182 A188 I209 F236 N238 V243 S244 F246	I155-L184 HydrophobicContact CG1-CG 4.43Å; I155-L184 HydrophobicContact CG2-CD1 4.16Å; F182-L184 HydrophobicContact CB-CD1 3.9Å; F182-L184 HydrophobicContact CD1-CD1 4.08Å; F182-L184 HydrophobicContact CG-CD1 4.37Å; L184-A188 HydrophobicContact CB-CB 4.25Å; L184-A188 HydrophobicContact CG-CB 4.22Å; L184-I209 HydrophobicContact CD2-CD1 3.81Å; L184-F236 HydrophobicContact CD1-CD2 4.43Å; L184-F236 HydrophobicContact CD1-CE2 3.96Å; L184-F236 HydrophobicContact CD2-CD2 3.54Å; L184-F236 HydrophobicContact CD2-CE2 3.81Å; L184-F236 HydrophobicContact CG-CE2 4.5Å; L184-N238 HydrophobicContact CB-CB 3.96Å; L184-N238 PolarHBondContact O-ND2 2.87Å; L184-V243 WeakPolarHBondContact O-CA 3.47Å; L184-S244 PolarHBondContact N-O 3.47Å; L184-S244 PolarHBondContact O-N 2.91Å; L184-F246 HydrophobicContact CD1-CE1 3.78Å; L184-F246 HydrophobicContact CD1-CZ 3.81Å; L184-F246 HydrophobicContact CD2-CE1 4.32Å; L184-F246 HydrophobicContact CD2-CZ 4.36Å; L184-F246 HydrophobicContact CG-CE1 4.48Å
185	Q	98.8	Very high	98.6	Very high	98 Å²	98	31.6 Å²	31.6	46%	0.458	19%	0.192	S	C	.	.			trans	-66.7	162.7	168.8	-60.6	-59.6	-37.5	0	0	111.2	G154 G187 A188 N238	G154-Q185 WeakPolarHBondContact O-CB 3.14Å; G154-Q185 WeakPolarHBondContact O-CG 3.4Å; G154-Q185 PolarHBondContact O-N 2.79Å; Q185-G187 PolarHBondContact O-N 3.14Å; Q185-A188 WeakPolarHBondContact O-CB 3.48Å; Q185-A188 PolarHBondContact O-N 3.41Å; Q185-N238 PolarHBondContact O-ND2 2.64Å
186	A	98.4	Very high	98.5	Very high	57 Å²	57	34.9 Å²	34.9	47%	0.471	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	131.9	175.2	0	0	0	0	0	111.4	A188 C240	A186-A188 PolarHBondContact O-N 3.27Å; A186-C240 WeakPolarHBondContact CA-O 3.35Å; A186-C240 WeakPolarHBondContact CB-O 3.36Å
187	G	97.9	Very high	98.4	Very high	58 Å²	58	35.5 Å²	35.5	60%	0.598	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.2	-3.1	-177.8	0	0	0	0	0	115.2	Q185 N238	Q185-G187 PolarHBondContact O-N 3.14Å; G187-N238 WeakPolarHBondContact CA-O 3.39Å; G187-N238 PolarHBondContact N-O 3.37Å
188	A	98.4	Very high	98.4	Very high	6 Å²	6	37.6 Å²	37.6	5%	0.05	23%	0.234	C	C	.	.			trans	-72.5	139.7	177.1	0	0	0	0	0	111.1	I155 L184 Q185 A186 E237 N238	I155-A188 HydrophobicContact CG1-CB 4.27Å; L184-A188 HydrophobicContact CB-CB 4.25Å; L184-A188 HydrophobicContact CG-CB 4.22Å; Q185-A188 WeakPolarHBondContact O-CB 3.48Å; Q185-A188 PolarHBondContact O-N 3.41Å; A186-A188 PolarHBondContact O-N 3.27Å; A188-E237 WeakPolarHBondContact O-CA 3.48Å; A188-N238 PolarHBondContact O-N 2.9Å
189	M	97.9	Very high	98.4	Very high	83 Å²	83	38.5 Å²	38.5	41%	0.409	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139	178.8	173.4	-83.2	-71	0	0	109.8	V191 R235 F236 E237	M189-V191 HydrophobicContact SD-CG2 4.2Å; M189-R235 PolarHBondContact SD-NH1 2.84Å; M189-F236 WeakPolarHBondContact CA-O 3.49Å; M189-E237 HydrophobicContact CB-CB 4.09Å; M189-E237 HydrophobicContact CB-CG 4.02Å; M189-E237 HydrophobicContact CG-CB 4.14Å; M189-E237 HydrophobicContact CG-CG 4.46Å
190	H	97.9	Very high	98.4	Very high	23 Å²	23	38.6 Å²	38.6	11%	0.106	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.1	176.5	-170.6	54.2	0	0	0	111.8	I155 F182 Q192 F236	I155-H190 HydrophobicContact CD1-CB 3.67Å; I155-H190 HydrophobicContact CG1-CB 4.27Å; F182-H190 AromaticContact CE1-CD2 3.79Å; F182-H190 AromaticContact CZ-CD2 3.83Å; H190-Q192 PolarHBondContact NE2-OE1 2.99Å; H190-Q192 VanDerWaalsContact NE2-OE1 3.08Å; H190-F236 HydrophobicContact CB-CD2 4.06Å; H190-F236 HydrophobicContact CB-CE2 3.44Å; H190-F236 VanDerWaalsContact CB-CE2 3.44Å; H190-F236 HydrophobicContact CB-CZ 3.88Å; H190-F236 AromaticContact CD2-CZ 3.54Å; H190-F236 PolarHBondContact N-O 2.91Å; H190-F236 PolarHBondContact O-N 2.92Å
191	V	97.9	Very high	98.4	Very high	42 Å²	42	38.6 Å²	38.6	26%	0.255	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	108.4	169.4	179.9	0	0	0	0	107	M11 M189 P193 C233 V234 R235	M11-V191 HydrophobicContact CE-CG1 3.86Å; M189-V191 HydrophobicContact SD-CG2 4.2Å; V191-P193 WeakPolarHBondContact O-CD 3.3Å; V191-C233 HydrophobicContact CG1-CB 3.7Å; V191-C233 VanDerWaalsContact CG1-SG 3.55Å; V191-V234 WeakPolarHBondContact CA-O 3.47Å; V191-R235 HydrophobicContact CG2-CB 4.23Å; V191-R235 HydrophobicContact CG2-CG 4.13Å
192	Q	98.6	Very high	98.4	Very high	8 Å²	8	38 Å²	38	4%	0.037	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.8	179.8	180	56.8	42.8	0	0	109.9	E163 L180 H190 C233 V234 F236 L248	E163-Q192 PolarHBondContact O-NE2 3.23Å; E163-Q192 VanDerWaalsContact O-NE2 3.16Å; L180-Q192 HydrophobicContact CD1-CG 3.78Å; H190-Q192 PolarHBondContact NE2-OE1 2.99Å; H190-Q192 VanDerWaalsContact NE2-OE1 3.08Å; Q192-C233 CarbonylContact O-C 3.54Å; Q192-C233 WeakPolarHBondContact O-CA 3.35Å; Q192-C233 VanDerWaalsContact O-CB 3.25Å; Q192-C233 WeakPolarHBondContact O-CB 3.38Å; Q192-V234 PolarHBondContact N-O 2.9Å; Q192-V234 PolarHBondContact O-N 3.25Å; Q192-F236 HydrophobicContact CB-CE1 4.14Å; Q192-L248 HydrophobicContact CB-CD2 3.8Å; Q192-L248 HydrophobicContact CG-CD2 3.5Å; Q192-L248 VanDerWaalsContact CG-CD2 3.5Å
193	P	98.4	Very high	98.4	Very high	72 Å²	72	38.1 Å²	38.1	47%	0.468	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	138.8	169.4	-22	34	0	0	0	110.9	V191 D232	V191-P193 WeakPolarHBondContact O-CD 3.3Å; P193-D232 WeakPolarHBondContact CA-O 3.39Å
194	V	98.3	Very high	98.4	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.024	22%	0.219	C	C	.	.			trans	-137.6	131.5	174.4	-178	0	0	0	0	107.6	L178 S196 W198 T200 D232 V234 L248 A250	L178-V194 HydrophobicContact CD2-CG2 4.15Å; V194-S196 PolarHBondContact O-N 2.75Å; V194-W198 HydrophobicContact CG1-CB 4.31Å; V194-T200 HydrophobicContact CG1-CG2 4.33Å; V194-T200 WeakPolarHBondContact CG1-OG1 3.3Å; V194-T200 HydrophobicContact CG2-CG2 4.36Å; V194-D232 PolarHBondContact N-O 3.44Å; V194-D232 CarbonylContact O-C 3.6Å; V194-V234 HydrophobicContact CG2-CG2 4.12Å; V194-L248 HydrophobicContact CG2-CD2 4.38Å; V194-A250 HydrophobicContact CG1-CB 3.48Å; V194-A250 VanDerWaalsContact CG1-CB 3.48Å
195	P	98.2	Very high	98.4	Very high	61 Å²	61	34.2 Å²	34.2	40%	0.396	22%	0.222	S	C	.	.			trans	-53.1	133.6	179.1	-25.7	34.5	0	0	0	112	R14 W198	R14-P195 PolarHBondContact NH2-O 2.87Å; P195-W198 HydrophobicContact CB-CD2 3.87Å; P195-W198 HydrophobicContact CB-CG 3.84Å; P195-W198 HydrophobicContact CB-CZ2 4.49Å; P195-W198 HydrophobicContact CG-CD2 3.83Å; P195-W198 HydrophobicContact CG-CE3 4.08Å; P195-W198 HydrophobicContact CG-CG 4.31Å; P195-W198 HydrophobicContact CG-CH2 4.33Å; P195-W198 HydrophobicContact CG-CZ2 4.09Å; P195-W198 HydrophobicContact CG-CZ3 4.33Å; P195-W198 WeakPolarHBondContact O-CB 3.45Å; P195-W198 PolarHBondContact O-N 2.9Å
196	S	97.3	Very high	98.4	Very high	70 Å²	70	32.1 Å²	32.1	49%	0.49	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	145.6	174.4	171.2	0	0	0	0	110.1	V194 W198 D230	V194-S196 PolarHBondContact O-N 2.75Å; S196-W198 PolarHBondContact O-N 3.29Å; S196-D230 PolarHBondContact OG-OD1 2.99Å; S196-D230 PolarHBondContact OG-OD2 2.77Å
197	G	97.9	Very high	98.4	Very high	45 Å²	45	30.7 Å²	30.7	46%	0.464	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-13.9	-173.9	0	0	0	0	0	114.3	D230 P253	G197-D230 PolarHBondContact N-OD1 3.17Å; G197-P253 WeakPolarHBondContact O-CD 3.17Å; G197-P253 WeakPolarHBondContact O-CG 3.38Å
198	W	98.8	Very high	98.4	Very high	47 Å²	47	29.6 Å²	29.6	18%	0.178	19%	0.191	C	C	.	.			trans	-73.8	133.8	176.2	-74.3	25	0	0	0	111.5	R14 P176 L178 V194 P195 S196 T200 A250 G251 E252	R14-W198 PolarHBondContact NH1-O 3.15Å; R14-W198 PolarHBondContact NH2-O 2.93Å; R14-W198 VanDerWaalsContact NH2-O 3.14Å; P176-W198 HydrophobicContact CB-CH2 3.55Å; P176-W198 HydrophobicContact CB-CZ2 3.43Å; P176-W198 VanDerWaalsContact CB-CZ2 3.43Å; L178-W198 HydrophobicContact CB-CZ3 4.08Å; V194-W198 HydrophobicContact CG1-CB 4.31Å; P195-W198 HydrophobicContact CB-CD2 3.87Å; P195-W198 HydrophobicContact CB-CG 3.84Å; P195-W198 HydrophobicContact CB-CZ2 4.49Å; P195-W198 HydrophobicContact CG-CD2 3.83Å; P195-W198 HydrophobicContact CG-CE3 4.08Å; P195-W198 HydrophobicContact CG-CG 4.31Å; P195-W198 HydrophobicContact CG-CH2 4.33Å; P195-W198 HydrophobicContact CG-CZ2 4.09Å; P195-W198 HydrophobicContact CG-CZ3 4.33Å; P195-W198 WeakPolarHBondContact O-CB 3.45Å; P195-W198 PolarHBondContact O-N 2.9Å; S196-W198 PolarHBondContact O-N 3.29Å; W198-T200 PolarHBondContact O-N 3.11Å; W198-T200 PolarHBondContact O-OG1 3.14Å; W198-T200 VanDerWaalsContact O-OG1 3.07Å; W198-A250 HydrophobicContact CB-CB 4.48Å; W198-A250 HydrophobicContact CE3-CB 4.07Å; W198-G251 CarbonylContact C-O 3.49Å; W198-G251 WeakPolarHBondContact CA-O 2.96Å; W198-G251 WeakPolarHBondContact CB-O 3.14Å; W198-E252 HydrophobicContact CD2-CB 4.48Å; W198-E252 HydrophobicContact CZ2-CB 4.28Å
199	T	98.9	Very high	98.4	Very high	29 Å²	29	29.3 Å²	29.3	18%	0.178	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	131.1	165.1	-76.7	0	0	0	0	108.6	L45 D46 F48 A250 G251	L45-T199 HydrophobicContact CB-CG2 4.42Å; L45-T199 HydrophobicContact CD1-CG2 4.33Å; L45-T199 HydrophobicContact CD2-CG2 3.56Å; L45-T199 HydrophobicContact CG-CG2 3.44Å; L45-T199 VanDerWaalsContact CG-CG2 3.44Å; D46-T199 WeakPolarHBondContact O-CB 3.35Å; D46-T199 WeakPolarHBondContact O-CG2 3.32Å; D46-T199 PolarHBondContact O-OG1 2.87Å; F48-T199 HydrophobicContact CD2-CG2 3.9Å; F48-T199 HydrophobicContact CE2-CG2 3.94Å; T199-A250 CarbonylContact O-C 3.53Å; T199-A250 WeakPolarHBondContact O-CA 3.21Å; T199-A250 WeakPolarHBondContact O-CB 3.38Å; T199-G251 PolarHBondContact N-O 3.36Å; T199-G251 PolarHBondContact O-N 3.03Å
200	T	98.9	Very high	98.5	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	133.9	-172.2	-56.1	0	0	0	0	111.1	R14 V194 W198 F228 V234 L248 I249 A250	R14-T200 VanDerWaalsContact CZ-OG1 3.29Å; R14-T200 PolarHBondContact NH1-OG1 3.17Å; R14-T200 VanDerWaalsContact NH1-OG1 3.16Å; V194-T200 HydrophobicContact CG1-CG2 4.33Å; V194-T200 WeakPolarHBondContact CG1-OG1 3.3Å; V194-T200 HydrophobicContact CG2-CG2 4.36Å; W198-T200 PolarHBondContact O-N 3.11Å; W198-T200 PolarHBondContact O-OG1 3.14Å; W198-T200 VanDerWaalsContact O-OG1 3.07Å; T200-F228 HydrophobicContact CG2-CB 4.47Å; T200-F228 HydrophobicContact CG2-CD2 4.1Å; T200-F228 PolarHBondContact O-N 3.04Å; T200-V234 HydrophobicContact CG2-CG2 3.66Å; T200-L248 HydrophobicContact CG2-CD1 3.84Å; T200-I249 WeakPolarHBondContact CA-O 3.43Å; T200-A250 HydrophobicContact CG2-CB 4.08Å; T200-A250 WeakPolarHBondContact OG1-CB 3.13Å
201	F	98.9	Very high	98.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	157.4	174.3	70.7	-87.2	0	0	0	112.6	I37 L45 F48 L51 L124 T225 V226 I249	I37-F201 HydrophobicContact CD1-CD1 4.12Å; I37-F201 HydrophobicContact CD1-CE1 3.61Å; I37-F201 HydrophobicContact CD1-CE2 4.09Å; I37-F201 HydrophobicContact CD1-CZ 3.58Å; L45-F201 HydrophobicContact CD2-CB 4.22Å; L45-F201 HydrophobicContact CD2-CD1 3.78Å; L45-F201 HydrophobicContact CD2-CG 4.27Å; F48-F201 HydrophobicContact CB-CE1 4.47Å; F48-F201 HydrophobicContact CD1-CE1 4.49Å; F48-F201 HydrophobicContact CD2-CD1 4.08Å; F48-F201 AromaticContact CD2-CE1 3.51Å; F48-F201 HydrophobicContact CD2-CE1 3.51Å; F48-F201 HydrophobicContact CE2-CD1 4.24Å; F48-F201 AromaticContact CE2-CE1 3.78Å; F48-F201 HydrophobicContact CE2-CE1 3.78Å; F48-F201 AromaticContact CG-CE1 3.89Å; F48-F201 HydrophobicContact CG-CE1 3.89Å; F48-F201 HydrophobicContact CZ-CE1 4.38Å; L51-F201 HydrophobicContact CD2-CE2 3.61Å; L51-F201 HydrophobicContact CD2-CZ 4.12Å; L124-F201 HydrophobicContact CD1-CZ 4.22Å; F201-T225 HydrophobicContact CB-CG2 4.06Å; F201-T225 HydrophobicContact CD2-CG2 3.86Å; F201-T225 HydrophobicContact CG-CG2 4.2Å; F201-V226 CarbonylContact C-O 3.54Å; F201-V226 WeakPolarHBondContact CA-O 3.28Å; F201-V226 VanDerWaalsContact CB-O 3.25Å; F201-V226 WeakPolarHBondContact CB-O 3.08Å; F201-I249 HydrophobicContact CD1-CB 4.28Å; F201-I249 HydrophobicContact CE1-CB 3.67Å; F201-I249 HydrophobicContact CE1-CG2 3.62Å; F201-I249 HydrophobicContact CE2-CB 3.95Å; F201-I249 HydrophobicContact CE2-CD1 3.76Å; F201-I249 HydrophobicContact CE2-CG1 4.25Å; F201-I249 HydrophobicContact CZ-CB 3.49Å; F201-I249 VanDerWaalsContact CZ-CB 3.49Å; F201-I249 HydrophobicContact CZ-CD1 3.56Å; F201-I249 HydrophobicContact CZ-CG1 4.05Å; F201-I249 HydrophobicContact CZ-CG2 3.68Å; F201-I249 PolarHBondContact N-O 3.05Å; F201-I249 PolarHBondContact O-N 2.87Å; F201-I249 VanDerWaalsContact O-O 3.08Å
202	I	98.9	Very high	98.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.1	167.2	-77.8	173.8	0	0	0	108.7	T204 V211 T225 V226 F228 V234 F236 F246 V247 L248	I202-T204 HydrophobicContact CG2-CG2 4.05Å; I202-V211 HydrophobicContact CD1-CG1 4.01Å; I202-T225 CarbonylContact O-C 3.58Å; I202-T225 VanDerWaalsContact O-CA 3.25Å; I202-T225 WeakPolarHBondContact O-CA 3.31Å; I202-V226 HydrophobicContact CB-CB 4.48Å; I202-V226 PolarHBondContact N-O 3.27Å; I202-V226 PolarHBondContact O-N 2.79Å; I202-F228 HydrophobicContact CB-CE2 4.07Å; I202-F228 HydrophobicContact CD1-CE2 3.95Å; I202-F228 HydrophobicContact CD1-CZ 3.95Å; I202-F228 HydrophobicContact CG1-CE2 3.81Å; I202-F228 HydrophobicContact CG1-CZ 4.32Å; I202-V234 HydrophobicContact CD1-CG1 4.11Å; I202-F236 HydrophobicContact CD1-CD1 4.14Å; I202-F246 HydrophobicContact CD1-CD2 4.14Å; I202-F246 HydrophobicContact CD1-CE2 4.06Å; I202-F246 HydrophobicContact CG1-CD2 4.28Å; I202-F246 HydrophobicContact CG2-CB 4Å; I202-F246 HydrophobicContact CG2-CD2 3.78Å; I202-F246 HydrophobicContact CG2-CG 4.14Å; I202-V247 CarbonylContact C-O 3.43Å; I202-V247 VanDerWaalsContact CA-O 3.23Å; I202-V247 WeakPolarHBondContact CA-O 3.38Å; I202-L248 HydrophobicContact CD1-CD1 4.23Å; I202-L248 HydrophobicContact CG1-CB 4.13Å; I202-L248 HydrophobicContact CG1-CD1 3.59Å; I202-L248 HydrophobicContact CG1-CG 4.46Å
203	Y	98.9	Very high	98.1	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.8	164.3	-178.8	-104.3	0	0	0	110.6	S22 L51 E53 L122 L205 H224 T225 F246 V247	S22-Y203 VanDerWaalsContact OG-CE2 3.3Å; S22-Y203 WeakPolarHBondContact OG-CE2 3.45Å; L51-Y203 HydrophobicContact CD2-CD2 4.19Å; L51-Y203 HydrophobicContact CD2-CG 3.92Å; E53-Y203 HydrophobicContact CB-CE1 3.82Å; E53-Y203 WeakPolarHBondContact CB-OH 3.46Å; E53-Y203 HydrophobicContact CG-CE1 4.37Å; E53-Y203 WeakPolarHBondContact OE2-CE1 3.14Å; E53-Y203 PolarHBondContact OE2-OH 3.21Å; L122-Y203 HydrophobicContact CD2-CD1 3.99Å; L122-Y203 HydrophobicContact CD2-CE1 3.93Å; Y203-L205 HydrophobicContact CD1-CD2 4.09Å; Y203-L205 HydrophobicContact CD1-CG 4.4Å; Y203-L205 HydrophobicContact CE1-CD2 3.8Å; Y203-L205 HydrophobicContact CE1-CG 4.48Å; Y203-H224 WeakPolarHBondContact CA-O 3.24Å; Y203-T225 WeakPolarHBondContact CD2-OG1 3.18Å; Y203-F246 CarbonylContact O-C 3.58Å; Y203-F246 VanDerWaalsContact O-CA 3.27Å; Y203-F246 WeakPolarHBondContact O-CA 3.32Å; Y203-F246 VanDerWaalsContact O-CB 3.28Å; Y203-F246 WeakPolarHBondContact O-CB 3.34Å; Y203-V247 PolarHBondContact N-O 2.98Å; Y203-V247 PolarHBondContact O-N 3.46Å
204	T	98.9	Very high	97.6	Very high	1 Å²	1	26 Å²	26	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	129.8	-176.7	53.4	0	0	0	0	111.7	I202 I209 V220 E221 S222 H223 H224 F246	I202-T204 HydrophobicContact CG2-CG2 4.05Å; T204-I209 HydrophobicContact CG2-CG2 3.68Å; T204-V220 HydrophobicContact CG2-CB 4.43Å; T204-V220 HydrophobicContact CG2-CG1 3.87Å; T204-E221 WeakPolarHBondContact CB-O 3.44Å; T204-E221 PolarHBondContact OG1-O 2.99Å; T204-S222 WeakPolarHBondContact OG1-CA 3.09Å; T204-H223 WeakPolarHBondContact O-CA 3.47Å; T204-H223 PolarHBondContact O-N 3.1Å; T204-H223 PolarHBondContact OG1-N 2.9Å; T204-H224 PolarHBondContact N-O 2.88Å; T204-H224 PolarHBondContact OG1-N 2.89Å; T204-H224 PolarHBondContact OG1-O 3.16Å; T204-F246 HydrophobicContact CG2-CB 4.25Å
205	L	98.8	Very high	97	Very high	13 Å²	13	35.1 Å²	35.1	7%	0.068	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-49.3	-178.6	-68.7	163.8	0	0	0	111.7	E53 L77 L122 Y203 S222 H245 V247	E53-L205 HydrophobicContact CG-CD2 4.36Å; L77-L205 HydrophobicContact CD1-CD1 3.74Å; L77-L205 HydrophobicContact CD1-CD2 3.6Å; L77-L205 HydrophobicContact CD1-CG 4.32Å; L77-L205 HydrophobicContact CD2-CD1 4.19Å; L122-L205 HydrophobicContact CD1-CD1 4.47Å; L122-L205 HydrophobicContact CD1-CD2 4.46Å; L122-L205 HydrophobicContact CD2-CD2 4.07Å; L122-L205 HydrophobicContact CG-CD2 4.48Å; Y203-L205 HydrophobicContact CD1-CD2 4.09Å; Y203-L205 HydrophobicContact CD1-CG 4.4Å; Y203-L205 HydrophobicContact CE1-CD2 3.8Å; Y203-L205 HydrophobicContact CE1-CG 4.48Å; L205-S222 WeakPolarHBondContact O-CB 3.36Å; L205-H245 WeakPolarHBondContact CA-O 3.41Å; L205-H245 HydrophobicContact CB-CB 4.45Å; L205-H245 WeakPolarHBondContact CB-O 3.46Å; L205-H245 PolarHBondContact N-O 2.96Å; L205-V247 HydrophobicContact CD1-CG1 4.33Å
206	S	98.6	Very high	96.6	Very high	54 Å²	54	36.6 Å²	36.6	38%	0.378	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	158	178.8	69.5	0	0	0	0	112.2	H245	S206-H245 PolarHBondContact N-O 2.92Å; S206-H245 VanDerWaalsContact N-O 3.09Å; S206-H245 PolarHBondContact O-N 2.98Å; S206-H245 WeakPolarHBondContact OG-CB 3.42Å
207	G	98.3	Very high	96.4	Very high	26 Å²	26	34.6 Å²	34.6	27%	0.268	20%	0.195	S	C	.	.	S	Bend	trans	67.9	-168.7	-173.3	0	0	0	0	0	112.1
208	T	98.5	Very high	96.2	Very high	36 Å²	36	37.2 Å²	37.2	22%	0.221	20%	0.195	C	C	.	.			trans	-122.3	134	-178.6	-59.1	0	0	0	0	109.4	P219 V220	T208-P219 HydrophobicContact CG2-CB 4.05Å; T208-V220 WeakPolarHBondContact CA-O 3.36Å
209	I	98.6	Very high	96.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142.9	175.5	-167.5	66	0	0	0	110.4	L184 T204 V211 P219 V220 F236 E237 N238 S244 F246	L184-I209 HydrophobicContact CD2-CD1 3.81Å; T204-I209 HydrophobicContact CG2-CG2 3.68Å; I209-V211 HydrophobicContact CB-CG1 4.36Å; I209-V211 HydrophobicContact CG1-CG1 3.86Å; I209-V211 HydrophobicContact CG2-CG1 3.76Å; I209-P219 CarbonylContact O-C 3.06Å; I209-P219 WeakPolarHBondContact O-CA 3.44Å; I209-V220 HydrophobicContact CG2-CB 4.17Å; I209-V220 PolarHBondContact N-O 3.28Å; I209-V220 PolarHBondContact O-N 3.17Å; I209-F236 HydrophobicContact CD1-CB 4.17Å; I209-F236 HydrophobicContact CD1-CD2 4.43Å; I209-F236 HydrophobicContact CG1-CB 3.91Å; I209-E237 WeakPolarHBondContact CD1-O 3.39Å; I209-N238 HydrophobicContact CD1-CB 4.41Å; I209-S244 WeakPolarHBondContact CB-OG 3.43Å; I209-F246 HydrophobicContact CB-CD1 4.29Å; I209-F246 HydrophobicContact CB-CE1 4.35Å; I209-F246 HydrophobicContact CD1-CD1 4.32Å; I209-F246 HydrophobicContact CD1-CE1 3.58Å; I209-F246 HydrophobicContact CD1-CZ 4.09Å; I209-F246 HydrophobicContact CG1-CD1 4.19Å; I209-F246 HydrophobicContact CG1-CE1 3.78Å; I209-F246 HydrophobicContact CG1-CZ 4.17Å
210	H	98.4	Very high	96.1	Very high	29 Å²	29	38 Å²	38	13%	0.134	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.5	171	-61.9	66.5	0	0	0	108.5	Q217 Q218 F236 E237 K239	H210-Q217 HydrophobicContact CB-CB 4.47Å; H210-Q218 WeakPolarHBondContact CA-O 3.24Å; H210-F236 CarbonylContact O-C 3.44Å; H210-F236 WeakPolarHBondContact O-CA 3.39Å; H210-E237 WeakPolarHBondContact CA-O 3.33Å; H210-E237 WeakPolarHBondContact CB-O 3.5Å; H210-E237 PolarHBondContact N-O 3.35Å; H210-E237 PolarHBondContact O-N 2.69Å; H210-K239 HydrophobicContact CB-CD 4.46Å; H210-K239 HydrophobicContact CB-CG 4.45Å
211	V	97.6	Very high	96.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.1	-173.5	-54	0	0	0	0	111.2	L16 I202 I209 Q217 Q218 V220 V226 F228 R235 F236	L16-V211 HydrophobicContact CD1-CG2 4.03Å; L16-V211 WeakPolarHBondContact CD1-O 3.27Å; L16-V211 HydrophobicContact CD2-CG2 3.64Å; L16-V211 HydrophobicContact CG-CG2 3.93Å; I202-V211 HydrophobicContact CD1-CG1 4.01Å; I209-V211 HydrophobicContact CB-CG1 4.36Å; I209-V211 HydrophobicContact CG1-CG1 3.86Å; I209-V211 HydrophobicContact CG2-CG1 3.76Å; V211-Q217 VanDerWaalsContact O-CA 3.27Å; V211-Q217 WeakPolarHBondContact O-CA 3.27Å; V211-Q218 PolarHBondContact N-O 3.2Å; V211-Q218 PolarHBondContact O-N 2.79Å; V211-V220 HydrophobicContact CG2-CG2 3.93Å; V211-V226 HydrophobicContact CG2-CG1 4.12Å; V211-F228 HydrophobicContact CB-CE1 4.31Å; V211-F228 HydrophobicContact CB-CZ 4.06Å; V211-F228 HydrophobicContact CG2-CE1 4.23Å; V211-F228 HydrophobicContact CG2-CZ 4.04Å; V211-R235 WeakPolarHBondContact CA-O 3.44Å; V211-F236 HydrophobicContact CG1-CB 3.89Å
212	G	95.2	Very high	96	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	114.3	-179	177.7	0	0	0	0	0	114.6	Q217 R235	G212-Q217 WeakPolarHBondContact O-CG 3.33Å; G212-R235 PolarHBondContact N-O 3.49Å
213	P	94.2	Very high	96	Very high	23 Å²	23	48 Å²	48	15%	0.149	26%	0.258	C	S	.	.	S	Bend	trans	-61.9	153.6	175.5	-17.6	29.8	0	0	0	112.1	V13 K15 Q215 E216 Q217	V13-P213 HydrophobicContact CB-CB 4.41Å; V13-P213 HydrophobicContact CB-CG 4.21Å; V13-P213 HydrophobicContact CG1-CB 4.34Å; V13-P213 HydrophobicContact CG1-CG 4.05Å; K15-P213 HydrophobicContact CG-CG 3.96Å; P213-Q215 VanDerWaalsContact C-N 3.32Å; P213-Q215 PolarHBondContact O-N 3.08Å; P213-Q215 VanDerWaalsContact O-N 3.08Å; P213-E216 CarbonylContact O-C 3.56Å; P213-E216 PolarHBondContact O-N 2.81Å; P213-Q217 WeakPolarHBondContact O-CG 3.33Å; P213-Q217 PolarHBondContact O-N 3.04Å
214	D	87.8	Confident	96	Very high	106 Å²	106	49.8 Å²	49.8	57%	0.567	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-46.6	-46.1	-171.3	-74.7	-41.3	0	0	0	115.5	R235	D214-R235 IonicContact OD1-CZ 3.28Å; D214-R235 IonicContact OD1-NE 2.71Å; D214-R235 PolarHBondContact OD1-NE 3.31Å; D214-R235 IonicContact OD1-NH2 3.78Å; D214-R235 PolarHBondContact OD1-NH2 2.53Å
215	Q	84.6	Confident	96	Very high	196 Å²	196	49.7 Å²	49.7	92%	0.916	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-85.9	-6.6	-177.3	-64	-174.5	-11	0	0	114	P213	P213-Q215 VanDerWaalsContact C-N 3.32Å; P213-Q215 PolarHBondContact O-N 3.08Å; P213-Q215 VanDerWaalsContact O-N 3.08Å
216	E	90.1	Very high	96	Very high	92 Å²	92	49.1 Å²	49.1	43%	0.43	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-125.4	15.5	-173.2	-65.3	176.8	-131.7	0	0	111.7	K15 P213 Q218	K15-E216 WeakPolarHBondContact CE-OE1 3.47Å; K15-E216 WeakPolarHBondContact CE-OE2 3.45Å; K15-E216 IonicContact NZ-OE1 3.71Å; K15-E216 PolarHBondContact NZ-OE1 3.19Å; K15-E216 IonicContact NZ-OE2 3.02Å; K15-E216 PolarHBondContact NZ-OE2 2.71Å; P213-E216 CarbonylContact O-C 3.56Å; P213-E216 PolarHBondContact O-N 2.81Å; E216-Q218 PolarHBondContact O-N 3.29Å
217	Q	93	Very high	96	Very high	28 Å²	28	47.2 Å²	47.2	13%	0.131	25%	0.248	C	C	.	.			trans	-62.7	131	179.9	-81	179.4	-22	0	0	111	H210 V211 G212 P213 E237	H210-Q217 HydrophobicContact CB-CB 4.47Å; V211-Q217 VanDerWaalsContact O-CA 3.27Å; V211-Q217 WeakPolarHBondContact O-CA 3.27Å; G212-Q217 WeakPolarHBondContact O-CG 3.33Å; P213-Q217 WeakPolarHBondContact O-CG 3.33Å; P213-Q217 PolarHBondContact O-N 3.04Å; Q217-E237 PolarHBondContact NE2-OE2 2.81Å; Q217-E237 PolarHBondContact OE1-OE2 3.22Å
218	Q	94.6	Very high	96	Very high	99 Å²	99	46.4 Å²	46.4	46%	0.463	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.8	176.8	-62	-171.5	-2.7	0	0	110.5	L16 H210 V211 E216	L16-Q218 HydrophobicContact CD2-CB 4.02Å; L16-Q218 HydrophobicContact CD2-CG 4.37Å; H210-Q218 WeakPolarHBondContact CA-O 3.24Å; V211-Q218 PolarHBondContact N-O 3.2Å; V211-Q218 PolarHBondContact O-N 2.79Å; E216-Q218 PolarHBondContact O-N 3.29Å
219	P	97.6	Very high	96	Very high	88 Å²	88	45.3 Å²	45.3	57%	0.571	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	138.4	170.2	30.8	-33.2	0	0	0	109.8	T208 I209	T208-P219 HydrophobicContact CG2-CB 4.05Å; I209-P219 CarbonylContact O-C 3.06Å; I209-P219 WeakPolarHBondContact O-CA 3.44Å
220	V	98.3	Very high	95.9	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.036	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	116.2	178.7	-175.4	0	0	0	0	108.4	T19 T204 T208 I209 V211 H224 V226	T19-V220 HydrophobicContact CG2-CG1 4.46Å; T204-V220 HydrophobicContact CG2-CB 4.43Å; T204-V220 HydrophobicContact CG2-CG1 3.87Å; T208-V220 WeakPolarHBondContact CA-O 3.36Å; I209-V220 HydrophobicContact CG2-CB 4.17Å; I209-V220 PolarHBondContact N-O 3.28Å; I209-V220 PolarHBondContact O-N 3.17Å; V211-V220 HydrophobicContact CG2-CG2 3.93Å; V220-H224 HydrophobicContact CG1-CB 3.69Å; V220-V226 HydrophobicContact CB-CG2 4.18Å; V220-V226 HydrophobicContact CG1-CG2 3.54Å; V220-V226 HydrophobicContact CG2-CG2 3.77Å
221	E	98.2	Very high	95.9	Very high	131 Å²	131	48.7 Å²	48.7	61%	0.612	25%	0.254	S	S	*	.			trans	-75.9	174.9	177	-60.5	-177.2	167.2	0	0	111.4	T204 H224	T204-E221 WeakPolarHBondContact CB-O 3.44Å; T204-E221 PolarHBondContact OG1-O 2.99Å; E221-H224 PolarHBondContact O-ND1 2.88Å
222	S	98	Very high	95.9	Very high	39 Å²	39	50.2 Å²	50.2	27%	0.273	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	159.3	180	60.6	0	0	0	0	113.6	T204 L205 H224	T204-S222 WeakPolarHBondContact OG1-CA 3.09Å; L205-S222 WeakPolarHBondContact O-CB 3.36Å; S222-H224 VanDerWaalsContact C-N 3.29Å; S222-H224 PolarHBondContact O-N 2.82Å; S222-H224 PolarHBondContact O-ND1 3.12Å
223	H	98.6	Very high	96	Very high	40 Å²	40	50.3 Å²	50.3	19%	0.185	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	25.1	176.8	-42.5	-60.6	0	0	0	115.3	L21 S22 E53 T204	L21-H223 HydrophobicContact CD1-CB 4.4Å; S22-H223 VanDerWaalsContact CB-O 3.27Å; S22-H223 WeakPolarHBondContact CB-O 3.35Å; S22-H223 PolarHBondContact N-O 2.99Å; S22-H223 PolarHBondContact OG-O 3.01Å; S22-H223 VanDerWaalsContact OG-O 3.08Å; E53-H223 IonicContact OE1-CE1 2.82Å; E53-H223 IonicContact OE1-ND1 3.91Å; E53-H223 IonicContact OE2-CE1 3.36Å; E53-H223 IonicContact OE2-ND1 3.39Å; E53-H223 PolarHBondContact OE2-ND1 2.92Å; T204-H223 WeakPolarHBondContact O-CA 3.47Å; T204-H223 PolarHBondContact O-N 3.1Å; T204-H223 PolarHBondContact OG1-N 2.9Å
224	H	98.7	Very high	96.2	Very high	38 Å²	38	49.2 Å²	49.2	18%	0.176	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.1	176	-71.3	85.8	0	0	0	111.6	T19 V20 Y203 T204 V220 E221 S222	T19-H224 HydrophobicContact CG2-CB 3.98Å; V20-H224 CarbonylContact O-C 3.55Å; V20-H224 WeakPolarHBondContact O-CA 3.32Å; Y203-H224 WeakPolarHBondContact CA-O 3.24Å; T204-H224 PolarHBondContact N-O 2.88Å; T204-H224 PolarHBondContact OG1-N 2.89Å; T204-H224 PolarHBondContact OG1-O 3.16Å; V220-H224 HydrophobicContact CG1-CB 3.69Å; E221-H224 PolarHBondContact O-ND1 2.88Å; S222-H224 VanDerWaalsContact C-N 3.29Å; S222-H224 PolarHBondContact O-N 2.82Å; S222-H224 PolarHBondContact O-ND1 3.12Å
225	T	98.8	Very high	96.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.4	161.1	-74.1	0	0	0	0	109.9	T19 V20 S36 L42 F201 I202 Y203 V227	T19-T225 CarbonylContact C-O 3.57Å; T19-T225 VanDerWaalsContact CA-O 3.32Å; T19-T225 WeakPolarHBondContact CA-O 3.5Å; V20-T225 PolarHBondContact N-O 3.07Å; V20-T225 PolarHBondContact O-N 3.22Å; S36-T225 WeakPolarHBondContact CB-OG1 3.21Å; S36-T225 WeakPolarHBondContact OG-CB 3.32Å; S36-T225 PolarHBondContact OG-OG1 2.97Å; L42-T225 HydrophobicContact CD2-CG2 3.81Å; F201-T225 HydrophobicContact CB-CG2 4.06Å; F201-T225 HydrophobicContact CD2-CG2 3.86Å; F201-T225 HydrophobicContact CG-CG2 4.2Å; I202-T225 CarbonylContact O-C 3.58Å; I202-T225 VanDerWaalsContact O-CA 3.25Å; I202-T225 WeakPolarHBondContact O-CA 3.31Å; Y203-T225 WeakPolarHBondContact CD2-OG1 3.18Å; T225-V227 HydrophobicContact CG2-CG2 4.1Å
226	V	98.5	Very high	97.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	110.3	174.4	-174.8	0	0	0	0	108.7	L16 K18 T19 F201 I202 V211 V220 F228	L16-V226 HydrophobicContact CB-CG1 4.21Å; L16-V226 HydrophobicContact CD2-CG1 3.54Å; L16-V226 HydrophobicContact CG-CG1 3.67Å; K18-V226 CarbonylContact O-C 3.56Å; K18-V226 WeakPolarHBondContact O-CA 3.1Å; T19-V226 HydrophobicContact CG2-CG2 4.26Å; F201-V226 CarbonylContact C-O 3.54Å; F201-V226 WeakPolarHBondContact CA-O 3.28Å; F201-V226 VanDerWaalsContact CB-O 3.25Å; F201-V226 WeakPolarHBondContact CB-O 3.08Å; I202-V226 HydrophobicContact CB-CB 4.48Å; I202-V226 PolarHBondContact N-O 3.27Å; I202-V226 PolarHBondContact O-N 2.79Å; V211-V226 HydrophobicContact CG2-CG1 4.12Å; V220-V226 HydrophobicContact CB-CG2 4.18Å; V220-V226 HydrophobicContact CG1-CG2 3.54Å; V220-V226 HydrophobicContact CG2-CG2 3.77Å; V226-F228 HydrophobicContact CB-CE2 4.25Å; V226-F228 HydrophobicContact CB-CZ 4.33Å; V226-F228 HydrophobicContact CG1-CE1 4.19Å; V226-F228 HydrophobicContact CG1-CE2 4.03Å; V226-F228 HydrophobicContact CG1-CZ 3.78Å; V226-F228 WeakPolarHBondContact O-CD2 3.31Å; V226-F228 WeakPolarHBondContact O-CE2 3.49Å
227	V	98.6	Very high	97.7	Very high	14 Å²	14	34.2 Å²	34.2	9%	0.085	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	129.8	176.1	-176.2	0	0	0	0	109.3	L17 K18 L42 L45 T225	L17-V227 PolarHBondContact N-O 3Å; K18-V227 HydrophobicContact CB-CB 4.25Å; K18-V227 PolarHBondContact N-O 2.83Å; K18-V227 PolarHBondContact O-N 3.06Å; L42-V227 HydrophobicContact CD1-CG2 4.08Å; L42-V227 HydrophobicContact CD2-CG2 4.07Å; L45-V227 HydrophobicContact CD1-CG1 3.93Å; L45-V227 HydrophobicContact CD1-CG2 4.49Å; L45-V227 HydrophobicContact CD2-CG1 4.17Å; L45-V227 HydrophobicContact CD2-CG2 4.14Å; T225-V227 HydrophobicContact CG2-CG2 4.1Å
228	F	98.4	Very high	98	Very high	9 Å²	9	32.9 Å²	32.9	4%	0.039	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	152.2	179.4	-67.2	-82.7	0	0	0	112.1	R14 K15 L16 T200 I202 V211 V226 V234	R14-F228 HydrophobicContact CB-CB 3.99Å; R14-F228 HydrophobicContact CB-CD1 4.1Å; R14-F228 HydrophobicContact CB-CG 4.33Å; K15-F228 CarbonylContact O-C 3.58Å; K15-F228 WeakPolarHBondContact O-CA 3.37Å; L16-F228 HydrophobicContact CD1-CE1 4.42Å; L16-F228 HydrophobicContact CG-CE1 4.14Å; T200-F228 HydrophobicContact CG2-CB 4.47Å; T200-F228 HydrophobicContact CG2-CD2 4.1Å; T200-F228 PolarHBondContact O-N 3.04Å; I202-F228 HydrophobicContact CB-CE2 4.07Å; I202-F228 HydrophobicContact CD1-CE2 3.95Å; I202-F228 HydrophobicContact CD1-CZ 3.95Å; I202-F228 HydrophobicContact CG1-CE2 3.81Å; I202-F228 HydrophobicContact CG1-CZ 4.32Å; V211-F228 HydrophobicContact CB-CE1 4.31Å; V211-F228 HydrophobicContact CB-CZ 4.06Å; V211-F228 HydrophobicContact CG2-CE1 4.23Å; V211-F228 HydrophobicContact CG2-CZ 4.04Å; V226-F228 HydrophobicContact CB-CE2 4.25Å; V226-F228 HydrophobicContact CB-CZ 4.33Å; V226-F228 HydrophobicContact CG1-CE1 4.19Å; V226-F228 HydrophobicContact CG1-CE2 4.03Å; V226-F228 HydrophobicContact CG1-CZ 3.78Å; V226-F228 WeakPolarHBondContact O-CD2 3.31Å; V226-F228 WeakPolarHBondContact O-CE2 3.49Å; F228-V234 HydrophobicContact CD1-CG1 4.42Å; F228-V234 HydrophobicContact CD2-CG2 4.33Å; F228-V234 HydrophobicContact CE1-CG1 3.86Å; F228-V234 HydrophobicContact CE2-CG1 4Å; F228-V234 HydrophobicContact CG-CG2 4.4Å; F228-V234 HydrophobicContact CZ-CG1 3.64Å
229	G	97.7	Very high	98.2	Very high	14 Å²	14	33.3 Å²	33.3	14%	0.144	18%	0.175	C	C	.	.			trans	-76	-174.7	166.3	0	0	0	0	0	111.8	R14 K15 L17	R14-G229 WeakPolarHBondContact CD-O 3.45Å; R14-G229 WeakPolarHBondContact CG-O 3.25Å; R14-G229 PolarHBondContact NH1-O 3.33Å; K15-G229 PolarHBondContact O-N 2.82Å; L17-G229 VanDerWaalsContact CD1-CA 3.48Å
230	D	97.4	Very high	98.1	Very high	96 Å²	96	31.3 Å²	31.3	51%	0.513	16%	0.162	S	C	.	.	S	Bend	trans	-72.3	157.1	176.2	-165.4	29.5	0	0	0	112.4	R14 S196 G197	R14-D230 IonicContact CZ-OD1 3.76Å; R14-D230 IonicContact NH1-OD1 2.89Å; R14-D230 IonicContact NH2-OD1 3.63Å; S196-D230 PolarHBondContact OG-OD1 2.99Å; S196-D230 PolarHBondContact OG-OD2 2.77Å; G197-D230 PolarHBondContact N-OD1 3.17Å
231	G	97.3	Very high	98.1	Very high	4 Å²	4	35.8 Å²	35.8	4%	0.041	19%	0.194	C	C	.	.	S	Bend	trans	157.4	174.2	-176.5	0	0	0	0	0	111.4	I12 R14	I12-G231 CarbonylContact O-C 3.36Å; R14-G231 VanDerWaalsContact CZ-O 3.26Å; R14-G231 PolarHBondContact NE-O 3.49Å; R14-G231 PolarHBondContact NH2-O 2.9Å; R14-G231 VanDerWaalsContact NH2-O 3.11Å
232	D	97.8	Very high	98.1	Very high	32 Å²	32	35.9 Å²	35.9	17%	0.171	19%	0.194	C	C	.	.	S	Bend	trans	-90.4	-15.8	-174.1	-54.6	-60.6	0	0	0	113	M11 I12 P193 V194	M11-D232 HydrophobicContact CB-CB 4.04Å; M11-D232 HydrophobicContact CG-CB 4.31Å; I12-D232 PolarHBondContact N-OD2 3.22Å; I12-D232 PolarHBondContact O-N 3.38Å; P193-D232 WeakPolarHBondContact CA-O 3.39Å; V194-D232 PolarHBondContact N-O 3.44Å; V194-D232 CarbonylContact O-C 3.6Å
233	C	98.3	Very high	98.1	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	160.5	-178	63.4	0	0	0	0	113.9	M11 I12 R14 V191 Q192	M11-C233 HydrophobicContact CE-CB 4.38Å; M11-C233 HydrophobicContact SD-CB 4.36Å; I12-C233 PolarHBondContact O-N 2.84Å; R14-C233 WeakPolarHBondContact CB-O 3.48Å; R14-C233 WeakPolarHBondContact CG-O 3.36Å; R14-C233 PolarHBondContact N-O 2.79Å; V191-C233 HydrophobicContact CG1-CB 3.7Å; V191-C233 VanDerWaalsContact CG1-SG 3.55Å; Q192-C233 CarbonylContact O-C 3.54Å; Q192-C233 WeakPolarHBondContact O-CA 3.35Å; Q192-C233 VanDerWaalsContact O-CB 3.25Å; Q192-C233 WeakPolarHBondContact O-CB 3.38Å
234	V	98.3	Very high	98.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.6	167.2	-175.6	0	0	0	0	108.7	R14 V191 Q192 V194 T200 I202 F228 F236 L248	R14-V234 HydrophobicContact CB-CG2 4.44Å; V191-V234 WeakPolarHBondContact CA-O 3.47Å; Q192-V234 PolarHBondContact N-O 2.9Å; Q192-V234 PolarHBondContact O-N 3.25Å; V194-V234 HydrophobicContact CG2-CG2 4.12Å; T200-V234 HydrophobicContact CG2-CG2 3.66Å; I202-V234 HydrophobicContact CD1-CG1 4.11Å; F228-V234 HydrophobicContact CD1-CG1 4.42Å; F228-V234 HydrophobicContact CD2-CG2 4.33Å; F228-V234 HydrophobicContact CE1-CG1 3.86Å; F228-V234 HydrophobicContact CE2-CG1 4Å; F228-V234 HydrophobicContact CG-CG2 4.4Å; F228-V234 HydrophobicContact CZ-CG1 3.64Å; V234-F236 HydrophobicContact CG1-CD1 4.08Å; V234-L248 HydrophobicContact CB-CD1 4.38Å; V234-L248 HydrophobicContact CG1-CD1 4.49Å; V234-L248 HydrophobicContact CG2-CD1 4.05Å
235	R	98.2	Very high	98.1	Very high	37 Å²	37	34.2 Å²	34.2	14%	0.14	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.1	174.2	175.7	176.6	180	74.8	-3	109.6	V13 M189 V191 V211 G212 D214	V13-R235 HydrophobicContact CG1-CB 3.67Å; M189-R235 PolarHBondContact SD-NH1 2.84Å; V191-R235 HydrophobicContact CG2-CB 4.23Å; V191-R235 HydrophobicContact CG2-CG 4.13Å; V211-R235 WeakPolarHBondContact CA-O 3.44Å; G212-R235 PolarHBondContact N-O 3.49Å; D214-R235 IonicContact OD1-CZ 3.28Å; D214-R235 IonicContact OD1-NE 2.71Å; D214-R235 PolarHBondContact OD1-NE 3.31Å; D214-R235 IonicContact OD1-NH2 3.78Å; D214-R235 PolarHBondContact OD1-NH2 2.53Å
236	F	98.3	Very high	98.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	151.7	176.2	51.1	-105	0	0	0	112.3	F182 L184 M189 H190 Q192 I202 I209 H210 V211 V234 F246 L248	F182-F236 HydrophobicContact CD1-CE2 4.21Å; F182-F236 HydrophobicContact CD1-CZ 4.01Å; F182-F236 AromaticContact CD2-CZ 3.97Å; F182-F236 HydrophobicContact CD2-CZ 3.97Å; F182-F236 HydrophobicContact CE1-CE2 4.35Å; F182-F236 AromaticContact CE1-CZ 3.86Å; F182-F236 HydrophobicContact CE1-CZ 3.86Å; F182-F236 HydrophobicContact CE2-CE1 4.38Å; F182-F236 AromaticContact CE2-CZ 3.81Å; F182-F236 HydrophobicContact CE2-CZ 3.81Å; F182-F236 HydrophobicContact CG-CE2 4.4Å; F182-F236 HydrophobicContact CG-CZ 4.06Å; F182-F236 AromaticContact CZ-CZ 3.77Å; F182-F236 HydrophobicContact CZ-CZ 3.77Å; L184-F236 HydrophobicContact CD1-CD2 4.43Å; L184-F236 HydrophobicContact CD1-CE2 3.96Å; L184-F236 HydrophobicContact CD2-CD2 3.54Å; L184-F236 HydrophobicContact CD2-CE2 3.81Å; L184-F236 HydrophobicContact CG-CE2 4.5Å; M189-F236 WeakPolarHBondContact CA-O 3.49Å; H190-F236 HydrophobicContact CB-CD2 4.06Å; H190-F236 HydrophobicContact CB-CE2 3.44Å; H190-F236 VanDerWaalsContact CB-CE2 3.44Å; H190-F236 HydrophobicContact CB-CZ 3.88Å; H190-F236 AromaticContact CD2-CZ 3.54Å; H190-F236 PolarHBondContact N-O 2.91Å; H190-F236 PolarHBondContact O-N 2.92Å; Q192-F236 HydrophobicContact CB-CE1 4.14Å; I202-F236 HydrophobicContact CD1-CD1 4.14Å; I209-F236 HydrophobicContact CD1-CB 4.17Å; I209-F236 HydrophobicContact CD1-CD2 4.43Å; I209-F236 HydrophobicContact CG1-CB 3.91Å; H210-F236 CarbonylContact O-C 3.44Å; H210-F236 WeakPolarHBondContact O-CA 3.39Å; V211-F236 HydrophobicContact CG1-CB 3.89Å; V234-F236 HydrophobicContact CG1-CD1 4.08Å; F236-F246 HydrophobicContact CD1-CE2 4.24Å; F236-F246 HydrophobicContact CD1-CZ 4.35Å; F236-F246 HydrophobicContact CD2-CE1 4.46Å; F236-F246 HydrophobicContact CD2-CE2 4.19Å; F236-F246 AromaticContact CD2-CZ 3.51Å; F236-F246 HydrophobicContact CD2-CZ 3.51Å; F236-F246 HydrophobicContact CE1-CE2 4.15Å; F236-F246 HydrophobicContact CE1-CZ 4.37Å; F236-F246 HydrophobicContact CE2-CE2 4.07Å; F236-F246 AromaticContact CE2-CZ 3.5Å; F236-F246 HydrophobicContact CE2-CZ 3.5Å; F236-F246 HydrophobicContact CG-CE2 4.24Å; F236-F246 AromaticContact CG-CZ 3.92Å; F236-F246 HydrophobicContact CG-CZ 3.92Å; F236-F246 HydrophobicContact CZ-CE2 4.02Å; F236-F246 AromaticContact CZ-CZ 3.93Å; F236-F246 HydrophobicContact CZ-CZ 3.93Å; F236-L248 HydrophobicContact CE1-CD2 4.37Å
237	E	98.3	Very high	98.1	Very high	42 Å²	42	34.2 Å²	34.2	20%	0.196	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	137.8	-172.8	177.9	-179.9	177.1	0	0	110.8	A188 M189 I209 H210 Q217 K239	A188-E237 WeakPolarHBondContact O-CA 3.48Å; M189-E237 HydrophobicContact CB-CB 4.09Å; M189-E237 HydrophobicContact CB-CG 4.02Å; M189-E237 HydrophobicContact CG-CB 4.14Å; M189-E237 HydrophobicContact CG-CG 4.46Å; I209-E237 WeakPolarHBondContact CD1-O 3.39Å; H210-E237 WeakPolarHBondContact CA-O 3.33Å; H210-E237 WeakPolarHBondContact CB-O 3.5Å; H210-E237 PolarHBondContact N-O 3.35Å; H210-E237 PolarHBondContact O-N 2.69Å; Q217-E237 PolarHBondContact NE2-OE2 2.81Å; Q217-E237 PolarHBondContact OE1-OE2 3.22Å; E237-K239 HydrophobicContact CG-CG 3.84Å; E237-K239 WeakPolarHBondContact OE2-CE 3.49Å; E237-K239 IonicContact OE2-NZ 2.69Å
238	N	98.4	Very high	98.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.			trans	-95.1	100.1	171.3	-176.4	5.4	0	0	0	110.2	L184 Q185 G187 A188 I209 C240 E242 S244	L184-N238 HydrophobicContact CB-CB 3.96Å; L184-N238 PolarHBondContact O-ND2 2.87Å; Q185-N238 PolarHBondContact O-ND2 2.64Å; G187-N238 WeakPolarHBondContact CA-O 3.39Å; G187-N238 PolarHBondContact N-O 3.37Å; A188-N238 PolarHBondContact O-N 2.9Å; I209-N238 HydrophobicContact CD1-CB 4.41Å; N238-C240 VanDerWaalsContact C-N 3.32Å; N238-C240 WeakPolarHBondContact OD1-CB 3.28Å; N238-C240 PolarHBondContact OD1-N 2.96Å; N238-C240 PolarHBondContact OD1-O 3.26Å; N238-E242 PolarHBondContact ND2-O 3.14Å; N238-S244 PolarHBondContact ND2-N 3.02Å
239	K	97.8	Very high	98.2	Very high	109 Å²	109	33.1 Å²	33.1	47%	0.474	18%	0.18	S	C	.	.			trans	-89.5	4.5	175.4	-52.7	-174.7	179.7	179.3	0	113.6	H210 E237	H210-K239 HydrophobicContact CB-CD 4.46Å; H210-K239 HydrophobicContact CB-CG 4.45Å; E237-K239 HydrophobicContact CG-CG 3.84Å; E237-K239 WeakPolarHBondContact OE2-CE 3.49Å; E237-K239 IonicContact OE2-NZ 2.69Å
240	C	97.4	Very high	98.2	Very high	46 Å²	46	32.5 Å²	32.5	31%	0.311	17%	0.173	S	C	.	.	S	Bend	trans	-102.2	167.5	-178.8	-61.6	0	0	0	0	110.8	A186 N238	A186-C240 WeakPolarHBondContact CA-O 3.35Å; A186-C240 WeakPolarHBondContact CB-O 3.36Å; N238-C240 VanDerWaalsContact C-N 3.32Å; N238-C240 WeakPolarHBondContact OD1-CB 3.28Å; N238-C240 PolarHBondContact OD1-N 2.96Å; N238-C240 PolarHBondContact OD1-O 3.26Å
241	S	96.8	Very high	98.3	Very high	100 Å²	100	27.9 Å²	27.9	70%	0.699	15%	0.149	S	C	*	.	S	Bend	trans	-76.3	-34.6	177.8	52.6	0	0	0	0	113.3
242	E	98	Very high	98.4	Very high	133 Å²	133	30.8 Å²	30.8	62%	0.621	16%	0.161	S	C	*	.	S	Bend	trans	-76.5	151.4	-179.2	-59.4	-56	151.3	0	0	111.9	N238 S244	N238-E242 PolarHBondContact ND2-O 3.14Å; E242-S244 PolarHBondContact O-N 3.17Å
243	V	98.6	Very high	98.4	Very high	55 Å²	55	30.5 Å²	30.5	33%	0.333	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-64.1	128.5	173.4	176.2	0	0	0	0	109.8	K183 L184	K183-V243 HydrophobicContact CB-CG1 4.22Å; L184-V243 WeakPolarHBondContact O-CA 3.47Å
244	S	98.8	Very high	98.4	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.8	170.9	-176.6	0	0	0	0	110.1	K183 L184 I209 N238 E242 F246	K183-S244 CarbonylContact C-O 3.5Å; K183-S244 VanDerWaalsContact CA-O 3.31Å; K183-S244 WeakPolarHBondContact CA-O 3.08Å; L184-S244 PolarHBondContact N-O 3.47Å; L184-S244 PolarHBondContact O-N 2.91Å; I209-S244 WeakPolarHBondContact CB-OG 3.43Å; N238-S244 PolarHBondContact ND2-N 3.02Å; E242-S244 PolarHBondContact O-N 3.17Å; S244-F246 WeakPolarHBondContact OG-CD1 3.45Å
245	H	98.9	Very high	98.4	Very high	26 Å²	26	37.9 Å²	37.9	12%	0.12	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.5	179.5	-178.3	-154.3	0	0	0	109.1	D181 F182 K183 L205 S206	D181-H245 IonicContact OD1-CD2 3.63Å; D181-H245 PolarHBondContact OD1-CD2 3.01Å; D181-H245 VanDerWaalsContact OD1-CD2 3.22Å; D181-H245 IonicContact OD1-NE2 3.71Å; D181-H245 PolarHBondContact OD1-NE2 2.84Å; D181-H245 IonicContact OD2-NE2 3.35Å; F182-H245 WeakPolarHBondContact O-CA 3.26Å; F182-H245 PolarHBondContact O-CD2 3.1Å; K183-H245 WeakPolarHBondContact CE-NE2 3.35Å; K183-H245 HydrophobicContact CG-CB 4.29Å; L205-H245 WeakPolarHBondContact CA-O 3.41Å; L205-H245 HydrophobicContact CB-CB 4.45Å; L205-H245 WeakPolarHBondContact CB-O 3.46Å; L205-H245 PolarHBondContact N-O 2.96Å; S206-H245 PolarHBondContact N-O 2.92Å; S206-H245 VanDerWaalsContact N-O 3.09Å; S206-H245 PolarHBondContact O-N 2.98Å; S206-H245 WeakPolarHBondContact OG-CB 3.42Å
246	F	98.9	Very high	98.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	162.2	-175.6	60.1	-87.1	0	0	0	109.8	F182 L184 I202 Y203 T204 I209 F236 S244	F182-F246 HydrophobicContact CB-CD1 4.5Å; F182-F246 HydrophobicContact CB-CD2 4.17Å; F182-F246 HydrophobicContact CB-CE1 4.04Å; F182-F246 HydrophobicContact CB-CE2 3.69Å; F182-F246 HydrophobicContact CB-CZ 3.6Å; F182-F246 AromaticContact CD2-CE2 4Å; F182-F246 HydrophobicContact CD2-CE2 4Å; F182-F246 HydrophobicContact CG-CE2 4.07Å; F182-F246 HydrophobicContact CG-CZ 4.14Å; F182-F246 PolarHBondContact N-O 3.18Å; F182-F246 PolarHBondContact O-N 2.92Å; L184-F246 HydrophobicContact CD1-CE1 3.78Å; L184-F246 HydrophobicContact CD1-CZ 3.81Å; L184-F246 HydrophobicContact CD2-CE1 4.32Å; L184-F246 HydrophobicContact CD2-CZ 4.36Å; L184-F246 HydrophobicContact CG-CE1 4.48Å; I202-F246 HydrophobicContact CD1-CD2 4.14Å; I202-F246 HydrophobicContact CD1-CE2 4.06Å; I202-F246 HydrophobicContact CG1-CD2 4.28Å; I202-F246 HydrophobicContact CG2-CB 4Å; I202-F246 HydrophobicContact CG2-CD2 3.78Å; I202-F246 HydrophobicContact CG2-CG 4.14Å; Y203-F246 CarbonylContact O-C 3.58Å; Y203-F246 VanDerWaalsContact O-CA 3.27Å; Y203-F246 WeakPolarHBondContact O-CA 3.32Å; Y203-F246 VanDerWaalsContact O-CB 3.28Å; Y203-F246 WeakPolarHBondContact O-CB 3.34Å; T204-F246 HydrophobicContact CG2-CB 4.25Å; I209-F246 HydrophobicContact CB-CD1 4.29Å; I209-F246 HydrophobicContact CB-CE1 4.35Å; I209-F246 HydrophobicContact CD1-CD1 4.32Å; I209-F246 HydrophobicContact CD1-CE1 3.58Å; I209-F246 HydrophobicContact CD1-CZ 4.09Å; I209-F246 HydrophobicContact CG1-CD1 4.19Å; I209-F246 HydrophobicContact CG1-CE1 3.78Å; I209-F246 HydrophobicContact CG1-CZ 4.17Å; F236-F246 HydrophobicContact CD1-CE2 4.24Å; F236-F246 HydrophobicContact CD1-CZ 4.35Å; F236-F246 HydrophobicContact CD2-CE1 4.46Å; F236-F246 HydrophobicContact CD2-CE2 4.19Å; F236-F246 AromaticContact CD2-CZ 3.51Å; F236-F246 HydrophobicContact CD2-CZ 3.51Å; F236-F246 HydrophobicContact CE1-CE2 4.15Å; F236-F246 HydrophobicContact CE1-CZ 4.37Å; F236-F246 HydrophobicContact CE2-CE2 4.07Å; F236-F246 AromaticContact CE2-CZ 3.5Å; F236-F246 HydrophobicContact CE2-CZ 3.5Å; F236-F246 HydrophobicContact CG-CE2 4.24Å; F236-F246 AromaticContact CG-CZ 3.92Å; F236-F246 HydrophobicContact CG-CZ 3.92Å; F236-F246 HydrophobicContact CZ-CE2 4.02Å; F236-F246 AromaticContact CZ-CZ 3.93Å; F236-F246 HydrophobicContact CZ-CZ 3.93Å; S244-F246 WeakPolarHBondContact OG-CD1 3.45Å
247	V	98.9	Very high	98.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	140.4	171.4	-60.8	0	0	0	0	110.4	L122 Y179 L180 D181 I202 Y203 L205 I249	L122-V247 HydrophobicContact CD1-CB 4.42Å; L122-V247 HydrophobicContact CD1-CG1 3.64Å; L122-V247 HydrophobicContact CD1-CG2 3.89Å; Y179-V247 HydrophobicContact CD1-CB 4.38Å; Y179-V247 HydrophobicContact CE1-CB 3.75Å; Y179-V247 HydrophobicContact CE1-CG1 3.79Å; Y179-V247 HydrophobicContact CE1-CG2 4.16Å; L180-V247 CarbonylContact O-C 3.59Å; L180-V247 WeakPolarHBondContact O-CA 3.37Å; D181-V247 HydrophobicContact CB-CG1 4.13Å; I202-V247 CarbonylContact C-O 3.43Å; I202-V247 VanDerWaalsContact CA-O 3.23Å; I202-V247 WeakPolarHBondContact CA-O 3.38Å; Y203-V247 PolarHBondContact N-O 2.98Å; Y203-V247 PolarHBondContact O-N 3.46Å; L205-V247 HydrophobicContact CD1-CG1 4.33Å; V247-I249 HydrophobicContact CB-CG1 4.44Å; V247-I249 HydrophobicContact CG2-CD1 3.86Å; V247-I249 HydrophobicContact CG2-CG1 4.21Å
248	L	98.9	Very high	98.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.3	167.1	173.1	70	0	0	0	108.1	L180 F182 Q192 V194 T200 I202 V234 F236	L180-L248 HydrophobicContact CD1-CD2 4.39Å; L180-L248 PolarHBondContact N-O 3.21Å; L180-L248 PolarHBondContact O-N 3.05Å; F182-L248 HydrophobicContact CD2-CB 4.25Å; F182-L248 HydrophobicContact CE2-CB 4.17Å; F182-L248 HydrophobicContact CE2-CD2 4.37Å; Q192-L248 HydrophobicContact CB-CD2 3.8Å; Q192-L248 HydrophobicContact CG-CD2 3.5Å; Q192-L248 VanDerWaalsContact CG-CD2 3.5Å; V194-L248 HydrophobicContact CG2-CD2 4.38Å; T200-L248 HydrophobicContact CG2-CD1 3.84Å; I202-L248 HydrophobicContact CD1-CD1 4.23Å; I202-L248 HydrophobicContact CG1-CB 4.13Å; I202-L248 HydrophobicContact CG1-CD1 3.59Å; I202-L248 HydrophobicContact CG1-CG 4.46Å; V234-L248 HydrophobicContact CB-CD1 4.38Å; V234-L248 HydrophobicContact CG1-CD1 4.49Å; V234-L248 HydrophobicContact CG2-CD1 4.05Å; F236-L248 HydrophobicContact CE1-CD2 4.37Å
249	I	98.9	Very high	98.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.3	-177.6	-58.4	171.8	0	0	0	108.5	F48 L124 L178 Y179 T200 F201 V247	F48-I249 HydrophobicContact CD1-CG2 4.36Å; F48-I249 HydrophobicContact CE1-CG2 3.66Å; F48-I249 HydrophobicContact CE2-CG2 4.11Å; F48-I249 HydrophobicContact CZ-CG2 3.51Å; L124-I249 HydrophobicContact CD1-CD1 4.49Å; L124-I249 HydrophobicContact CD2-CD1 4.27Å; L124-I249 HydrophobicContact CD2-CG2 4.04Å; L178-I249 CarbonylContact O-C 3.6Å; L178-I249 VanDerWaalsContact O-CA 3.29Å; L178-I249 WeakPolarHBondContact O-CA 3.43Å; Y179-I249 HydrophobicContact CD1-CD1 3.92Å; Y179-I249 HydrophobicContact CD1-CG1 3.53Å; Y179-I249 HydrophobicContact CE1-CD1 3.66Å; Y179-I249 HydrophobicContact CE1-CG1 3.78Å; Y179-I249 HydrophobicContact CE2-CD1 4.29Å; Y179-I249 HydrophobicContact CG-CD1 4.37Å; Y179-I249 HydrophobicContact CG-CG1 4.01Å; T200-I249 WeakPolarHBondContact CA-O 3.43Å; F201-I249 HydrophobicContact CD1-CB 4.28Å; F201-I249 HydrophobicContact CE1-CB 3.67Å; F201-I249 HydrophobicContact CE1-CG2 3.62Å; F201-I249 HydrophobicContact CE2-CB 3.95Å; F201-I249 HydrophobicContact CE2-CD1 3.76Å; F201-I249 HydrophobicContact CE2-CG1 4.25Å; F201-I249 HydrophobicContact CZ-CB 3.49Å; F201-I249 VanDerWaalsContact CZ-CB 3.49Å; F201-I249 HydrophobicContact CZ-CD1 3.56Å; F201-I249 HydrophobicContact CZ-CG1 4.05Å; F201-I249 HydrophobicContact CZ-CG2 3.68Å; F201-I249 PolarHBondContact N-O 3.05Å; F201-I249 PolarHBondContact O-N 2.87Å; F201-I249 VanDerWaalsContact O-O 3.08Å; V247-I249 HydrophobicContact CB-CG1 4.44Å; V247-I249 HydrophobicContact CG2-CD1 3.86Å; V247-I249 HydrophobicContact CG2-CG1 4.21Å
250	A	98.9	Very high	98.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149.4	173.2	0	0	0	0	0	111.2	T177 L178 V194 W198 T199 T200	T177-A250 CarbonylContact C-O 3.48Å; T177-A250 WeakPolarHBondContact CA-O 3.48Å; L178-A250 HydrophobicContact CB-CB 4.25Å; L178-A250 HydrophobicContact CD2-CB 4.44Å; L178-A250 PolarHBondContact N-O 2.74Å; L178-A250 PolarHBondContact O-N 3.33Å; V194-A250 HydrophobicContact CG1-CB 3.48Å; V194-A250 VanDerWaalsContact CG1-CB 3.48Å; W198-A250 HydrophobicContact CB-CB 4.48Å; W198-A250 HydrophobicContact CE3-CB 4.07Å; T199-A250 CarbonylContact O-C 3.53Å; T199-A250 WeakPolarHBondContact O-CA 3.21Å; T199-A250 WeakPolarHBondContact O-CB 3.38Å; T200-A250 HydrophobicContact CG2-CB 4.08Å; T200-A250 WeakPolarHBondContact OG1-CB 3.13Å
251	G	98.8	Very high	98.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	153	-178.9	0	0	0	0	0	112.7	P176 W198 T199 P253	P176-G251 WeakPolarHBondContact O-CA 3.45Å; W198-G251 CarbonylContact C-O 3.49Å; W198-G251 WeakPolarHBondContact CA-O 2.96Å; W198-G251 WeakPolarHBondContact CB-O 3.14Å; T199-G251 PolarHBondContact N-O 3.36Å; T199-G251 PolarHBondContact O-N 3.03Å; G251-P253 WeakPolarHBondContact O-CD 3.49Å
252	E	98.8	Very high	98.4	Very high	65 Å²	65	43.7 Å²	43.7	30%	0.304	24%	0.24	S	C	.	.			trans	-70.1	120.4	175.6	-172.5	-178.9	-141.2	0	0	109.8	P47 R129 P176 W198 I254	P47-E252 WeakPolarHBondContact CG-O 3.14Å; R129-E252 IonicContact CZ-OE2 2.73Å; R129-E252 IonicContact NH2-OE1 3.47Å; R129-E252 IonicContact NH2-OE2 3.99Å; R129-E252 PolarHBondContact NH2-OE2 2.89Å; P176-E252 HydrophobicContact CB-CB 4.08Å; P176-E252 WeakPolarHBondContact CD-OE2 3.4Å; P176-E252 HydrophobicContact CG-CB 4.31Å; P176-E252 WeakPolarHBondContact CG-OE2 3.21Å; P176-E252 PolarHBondContact O-N 2.82Å; W198-E252 HydrophobicContact CD2-CB 4.48Å; W198-E252 HydrophobicContact CZ2-CB 4.28Å; E252-I254 PolarHBondContact O-N 2.9Å
253	P	98.7	Very high	98.4	Very high	25 Å²	25	39.2 Å²	39.2	16%	0.162	22%	0.223	C	C	.	.			trans	-61	135.1	175.4	-20.6	32.3	0	0	0	110.6	G197 G251 N255	G197-P253 WeakPolarHBondContact O-CD 3.17Å; G197-P253 WeakPolarHBondContact O-CG 3.38Å; G251-P253 WeakPolarHBondContact O-CD 3.49Å; P253-N255 PolarHBondContact O-ND2 3.24Å
254	I	98.6	Very high	98.4	Very high	20 Å²	20	37.2 Å²	37.2	10%	0.103	21%	0.209	C	C	.	.			trans	-78.5	-31.2	-179.9	-67.3	170.9	0	0	0	110.8	D46 P47 N127 R129 T175 E252 E256	D46-I254 VanDerWaalsContact CG-N 3.33Å; D46-I254 PolarHBondContact OD1-N 3.14Å; D46-I254 PolarHBondContact OD2-N 2.92Å; D46-I254 VanDerWaalsContact OD2-N 3.1Å; P47-I254 HydrophobicContact CB-CD1 4.08Å; P47-I254 HydrophobicContact CB-CG1 4.14Å; N127-I254 HydrophobicContact CB-CD1 3.76Å; N127-I254 WeakPolarHBondContact O-CD1 3.33Å; R129-I254 HydrophobicContact CB-CG2 4.41Å; R129-I254 HydrophobicContact CG-CD1 4.3Å; R129-I254 HydrophobicContact CG-CG1 4.07Å; R129-I254 HydrophobicContact CG-CG2 3.98Å; T175-I254 HydrophobicContact CG2-CD1 4.08Å; T175-I254 HydrophobicContact CG2-CG1 4.04Å; E252-I254 PolarHBondContact O-N 2.9Å; I254-E256 HydrophobicContact CG2-CB 3.74Å; I254-E256 HydrophobicContact CG2-CG 3.57Å; I254-E256 PolarHBondContact O-N 2.96Å
255	N	98.3	Very high	98.4	Very high	137 Å²	137	37.1 Å²	37.1	73%	0.733	21%	0.209	S	C	*	.			trans	56.8	36	-177.5	-57	-69.3	0	0	0	113.6	D46 P253	D46-N255 PolarHBondContact OD2-N 3.12Å; P253-N255 PolarHBondContact O-ND2 3.24Å
256	E	98.6	Very high	98.4	Very high	64 Å²	64	36.2 Å²	36.2	30%	0.299	21%	0.205	S	C	.	.	S	Bend	trans	-115.2	158	172.5	-67.6	175.1	169.8	0	0	110.6	K130 I254 V258 N267	K130-E256 WeakPolarHBondContact CB-OE2 3.18Å; K130-E256 PolarHBondContact N-OE1 3.01Å; K130-E256 PolarHBondContact N-OE2 2.78Å; I254-E256 HydrophobicContact CG2-CB 3.74Å; I254-E256 HydrophobicContact CG2-CG 3.57Å; I254-E256 PolarHBondContact O-N 2.96Å; E256-V258 PolarHBondContact O-N 3.02Å; E256-N267 PolarHBondContact OE2-ND2 2.73Å; E256-N267 VanDerWaalsContact OE2-ND2 3.16Å
257	P	98.3	Very high	98.4	Very high	89 Å²	89	36.6 Å²	36.6	58%	0.578	21%	0.207	S	C	*	.			trans	-56.4	139.4	172.7	-25	35.2	0	0	0	112	N267	P257-N267 WeakPolarHBondContact CB-O 3.24Å; P257-N267 WeakPolarHBondContact O-CA 3.5Å; P257-N267 PolarHBondContact O-ND2 3.17Å
258	V	98.4	Very high	98.4	Very high	44 Å²	44	38.8 Å²	38.8	27%	0.267	22%	0.22	S	C	.	.			trans	-117.2	113	175.5	-179.4	0	0	0	0	108.5	L49 E256 V265	L49-V258 HydrophobicContact CD2-CG1 3.7Å; E256-V258 PolarHBondContact O-N 3.02Å; V258-V265 HydrophobicContact CG1-CG1 3.83Å
259	V	98.3	Very high	98.4	Very high	25 Å²	25	43.7 Å²	43.7	15%	0.152	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	117.8	172.4	-171.5	0	0	0	0	107.5	V265 M266 N267 Q269 I272	V259-V265 WeakPolarHBondContact O-CA 3.26Å; V259-M266 PolarHBondContact N-O 2.89Å; V259-M266 PolarHBondContact O-N 3.01Å; V259-N267 WeakPolarHBondContact CG2-O 3.4Å; V259-Q269 VanDerWaalsContact CG1-CD 3.41Å; V259-Q269 HydrophobicContact CG1-CG 4.2Å; V259-I272 HydrophobicContact CB-CG1 4.16Å; V259-I272 HydrophobicContact CG1-CG1 3.76Å; V259-I272 WeakPolarHBondContact O-CD1 3.49Å
260	Q	98.1	Very high	98.4	Very high	82 Å²	82	49.9 Å²	49.9	38%	0.383	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.6	-176.7	176.1	172.9	12	0	0	110.7	F264 V265	Q260-F264 WeakPolarHBondContact CA-O 3.35Å; Q260-V265 HydrophobicContact CB-CG2 4.06Å; Q260-V265 HydrophobicContact CG-CG2 3.78Å
261	Q	97.5	Very high	98.4	Very high	103 Å²	103	52.1 Å²	52.1	48%	0.481	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	97	168	-174.4	171.6	-22.4	0	0	109.3	P263 F264 I272	Q261-P263 WeakPolarHBondContact O-CD 3.18Å; Q261-F264 PolarHBondContact N-O 2.83Å; Q261-F264 PolarHBondContact O-N 3.18Å; Q261-I272 HydrophobicContact CB-CG2 3.69Å; Q261-I272 HydrophobicContact CG-CG2 4.46Å
262	G	95.6	Very high	98.4	Very high	49 Å²	49	52.1 Å²	52.1	51%	0.505	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	-118.5	-175.9	0	0	0	0	0	111.7	F264	G262-F264 VanDerWaalsContact C-N 3.25Å; G262-F264 PolarHBondContact O-N 2.77Å
263	P	97.9	Very high	98.4	Very high	39 Å²	39	54.7 Å²	54.7	25%	0.253	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	1.3	-176.5	30.8	-34.2	0	0	0	115.2	P66 H67 R68 F70 Q261	P66-P263 HydrophobicContact CG-CB 4.06Å; P66-P263 HydrophobicContact CG-CG 3.77Å; P66-P263 WeakPolarHBondContact O-CB 3.39Å; H67-P263 WeakPolarHBondContact CA-O 3.38Å; R68-P263 PolarHBondContact N-O 2.98Å; R68-P263 VanDerWaalsContact N-O 3.17Å; F70-P263 WeakPolarHBondContact CE1-O 3.22Å; Q261-P263 WeakPolarHBondContact O-CD 3.18Å
264	F	98.8	Very high	98.4	Very high	12 Å²	12	57.6 Å²	57.6	5%	0.053	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.6	-176.8	-51.6	-45.8	0	0	0	110.1	P66 R68 Q260 Q261 G262 I272 A275 I276 F279 F286	P66-F264 HydrophobicContact CB-CE1 3.97Å; P66-F264 HydrophobicContact CB-CZ 4.24Å; P66-F264 HydrophobicContact CG-CE1 4.01Å; P66-F264 HydrophobicContact CG-CZ 3.91Å; R68-F264 HydrophobicContact CB-CD1 3.79Å; R68-F264 HydrophobicContact CB-CE1 4.37Å; Q260-F264 WeakPolarHBondContact CA-O 3.35Å; Q261-F264 PolarHBondContact N-O 2.83Å; Q261-F264 PolarHBondContact O-N 3.18Å; G262-F264 VanDerWaalsContact C-N 3.25Å; G262-F264 PolarHBondContact O-N 2.77Å; F264-I272 HydrophobicContact CB-CD1 3.81Å; F264-I272 VanDerWaalsContact O-CD1 3.28Å; F264-I272 WeakPolarHBondContact O-CD1 3.28Å; F264-A275 HydrophobicContact CB-CB 4.11Å; F264-A275 HydrophobicContact CD1-CB 4.33Å; F264-A275 HydrophobicContact CD2-CB 4.19Å; F264-A275 HydrophobicContact CG-CB 3.95Å; F264-I276 HydrophobicContact CD2-CG1 3.77Å; F264-I276 HydrophobicContact CE2-CG1 3.84Å; F264-F279 HydrophobicContact CZ-CB 3.8Å; F264-F279 HydrophobicContact CZ-CD1 4.18Å; F264-F279 AromaticContact CZ-CG 4Å; F264-F279 HydrophobicContact CZ-CG 4Å; F264-F286 HydrophobicContact CE1-CE2 4.3Å; F264-F286 AromaticContact CE1-CZ 3.96Å; F264-F286 HydrophobicContact CE1-CZ 3.96Å
265	V	98.7	Very high	98.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	105.3	178.7	-175	0	0	0	0	109.4	L49 R68 F70 K133 V258 V259 Q260	L49-V265 HydrophobicContact CD1-CB 4.16Å; L49-V265 HydrophobicContact CD1-CG1 3.82Å; L49-V265 HydrophobicContact CD1-CG2 4.05Å; L49-V265 HydrophobicContact CD2-CG1 3.98Å; R68-V265 PolarHBondContact O-N 2.93Å; R68-V265 VanDerWaalsContact O-N 3.14Å; F70-V265 HydrophobicContact CD1-CB 3.69Å; F70-V265 HydrophobicContact CD1-CG2 3.7Å; F70-V265 HydrophobicContact CE1-CB 4.14Å; F70-V265 HydrophobicContact CE1-CG2 3.7Å; K133-V265 PolarHBondContact NZ-O 2.63Å; V258-V265 HydrophobicContact CG1-CG1 3.83Å; V259-V265 WeakPolarHBondContact O-CA 3.26Å; Q260-V265 HydrophobicContact CB-CG2 4.06Å; Q260-V265 HydrophobicContact CG-CG2 3.78Å
266	M	98.8	Very high	98.4	Very high	7 Å²	7	51.8 Å²	51.8	3%	0.034	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	-174.8	-177.5	-54.5	-57	-66.3	0	0	110.7	R68 K133 M134 V259 E271 I272	R68-M266 HydrophobicContact CG-SD 3.98Å; K133-M266 HydrophobicContact CB-CE 4.05Å; K133-M266 HydrophobicContact CD-CE 4.08Å; K133-M266 HydrophobicContact CD-SD 4.17Å; M134-M266 HydrophobicContact SD-CE 4.03Å; V259-M266 PolarHBondContact N-O 2.89Å; V259-M266 PolarHBondContact O-N 3.01Å; M266-E271 HydrophobicContact CB-CB 3.56Å; M266-E271 HydrophobicContact CE-CB 4.13Å; M266-E271 HydrophobicContact CE-CG 4.48Å; M266-E271 HydrophobicContact CG-CB 3.95Å; M266-I272 HydrophobicContact CB-CD1 3.97Å; M266-I272 HydrophobicContact CB-CG1 4.1Å; M266-I272 HydrophobicContact CG-CD1 3.79Å; M266-I272 HydrophobicContact CG-CG1 4.3Å
267	N	98.8	Very high	98.4	Very high	8 Å²	8	53.2 Å²	53.2	4%	0.043	28%	0.283	C	S	.	.	S	Bend	trans	-96.8	-19.1	-179.5	-59.9	100.6	0	0	0	112.8	K130 K133 E256 P257 V259 E271	K130-N267 VanDerWaalsContact CA-OD1 3.31Å; K130-N267 WeakPolarHBondContact CA-OD1 3.23Å; K130-N267 VanDerWaalsContact CB-OD1 3.23Å; K130-N267 WeakPolarHBondContact CB-OD1 3.31Å; K130-N267 WeakPolarHBondContact CG-OD1 3.22Å; K133-N267 VanDerWaalsContact CD-OD1 3.28Å; K133-N267 WeakPolarHBondContact CD-OD1 3.37Å; K133-N267 WeakPolarHBondContact CE-OD1 3.08Å; E256-N267 PolarHBondContact OE2-ND2 2.73Å; E256-N267 VanDerWaalsContact OE2-ND2 3.16Å; P257-N267 WeakPolarHBondContact CB-O 3.24Å; P257-N267 WeakPolarHBondContact O-CA 3.5Å; P257-N267 PolarHBondContact O-ND2 3.17Å; V259-N267 WeakPolarHBondContact CG2-O 3.4Å; N267-E271 WeakPolarHBondContact CA-OE2 3.4Å; N267-E271 WeakPolarHBondContact CB-OE2 3.42Å; N267-E271 PolarHBondContact N-OE2 2.69Å
268	T	98.8	Very high	98.4	Very high	45 Å²	45	49.2 Å²	49.2	28%	0.276	26%	0.257	S	S	.	.	S	Bend	trans	-135.2	162.1	-177.9	63.7	0	0	0	0	112.2	E270 E271 I272	T268-E270 VanDerWaalsContact C-N 3.32Å; T268-E270 WeakPolarHBondContact CB-OE2 3.47Å; T268-E271 PolarHBondContact N-OE2 3.47Å; T268-E271 PolarHBondContact O-N 3.45Å; T268-E271 WeakPolarHBondContact OG1-CB 3.3Å; T268-E271 WeakPolarHBondContact OG1-CG 3.49Å; T268-E271 PolarHBondContact OG1-N 3.48Å; T268-E271 PolarHBondContact OG1-OE2 3.24Å; T268-E271 VanDerWaalsContact OG1-OE2 3.1Å; T268-I272 PolarHBondContact O-N 3.16Å
269	Q	98.6	Very high	98.4	Very high	103 Å²	103	50.6 Å²	50.6	48%	0.481	26%	0.259	S	S	.	.	H	α-helix	trans	-69.5	-33.9	176.4	-70	-66.9	6.3	0	0	111.7	V259 I272 Q273	V259-Q269 VanDerWaalsContact CG1-CD 3.41Å; V259-Q269 HydrophobicContact CG1-CG 4.2Å; Q269-I272 WeakPolarHBondContact O-CB 3.43Å; Q269-I272 PolarHBondContact O-N 2.86Å; Q269-Q273 WeakPolarHBondContact O-CG 3.27Å; Q269-Q273 PolarHBondContact O-N 2.9Å
270	E	98.7	Very high	98.4	Very high	130 Å²	130	56.6 Å²	56.6	61%	0.607	29%	0.285	S	S	*	.	H	α-helix	trans	-62.8	-43.4	176	-64.2	71.4	-158	0	0	110.9	T268 I272 Q273 Q274	T268-E270 VanDerWaalsContact C-N 3.32Å; T268-E270 WeakPolarHBondContact CB-OE2 3.47Å; E270-I272 VanDerWaalsContact C-N 3.31Å; E270-I272 PolarHBondContact O-N 2.93Å; E270-Q273 PolarHBondContact O-N 2.77Å; E270-Q274 WeakPolarHBondContact O-CB 3.44Å; E270-Q274 PolarHBondContact O-N 3.34Å
271	E	98.8	Very high	98.3	Very high	48 Å²	48	55.9 Å²	55.9	22%	0.224	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-34.6	174.8	-73.4	161.8	172.2	0	0	112.2	M266 N267 T268 Q274 A275	M266-E271 HydrophobicContact CB-CB 3.56Å; M266-E271 HydrophobicContact CE-CB 4.13Å; M266-E271 HydrophobicContact CE-CG 4.48Å; M266-E271 HydrophobicContact CG-CB 3.95Å; N267-E271 WeakPolarHBondContact CA-OE2 3.4Å; N267-E271 WeakPolarHBondContact CB-OE2 3.42Å; N267-E271 PolarHBondContact N-OE2 2.69Å; T268-E271 PolarHBondContact N-OE2 3.47Å; T268-E271 PolarHBondContact O-N 3.45Å; T268-E271 WeakPolarHBondContact OG1-CB 3.3Å; T268-E271 WeakPolarHBondContact OG1-CG 3.49Å; T268-E271 PolarHBondContact OG1-N 3.48Å; T268-E271 PolarHBondContact OG1-OE2 3.24Å; T268-E271 VanDerWaalsContact OG1-OE2 3.1Å; E271-Q274 PolarHBondContact O-N 3.48Å; E271-A275 WeakPolarHBondContact O-CB 3.29Å; E271-A275 PolarHBondContact O-N 3.37Å
272	I	98.7	Very high	98.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66.8	-46.5	173.5	-73	-67	0	0	0	111.4	V259 Q261 F264 M266 T268 Q269 E270 Q274 A275 I276	V259-I272 HydrophobicContact CB-CG1 4.16Å; V259-I272 HydrophobicContact CG1-CG1 3.76Å; V259-I272 WeakPolarHBondContact O-CD1 3.49Å; Q261-I272 HydrophobicContact CB-CG2 3.69Å; Q261-I272 HydrophobicContact CG-CG2 4.46Å; F264-I272 HydrophobicContact CB-CD1 3.81Å; F264-I272 VanDerWaalsContact O-CD1 3.28Å; F264-I272 WeakPolarHBondContact O-CD1 3.28Å; M266-I272 HydrophobicContact CB-CD1 3.97Å; M266-I272 HydrophobicContact CB-CG1 4.1Å; M266-I272 HydrophobicContact CG-CD1 3.79Å; M266-I272 HydrophobicContact CG-CG1 4.3Å; T268-I272 PolarHBondContact O-N 3.16Å; Q269-I272 WeakPolarHBondContact O-CB 3.43Å; Q269-I272 PolarHBondContact O-N 2.86Å; E270-I272 VanDerWaalsContact C-N 3.31Å; E270-I272 PolarHBondContact O-N 2.93Å; I272-Q274 VanDerWaalsContact C-N 3.26Å; I272-Q274 PolarHBondContact O-N 2.83Å; I272-A275 WeakPolarHBondContact O-CB 3.46Å; I272-A275 PolarHBondContact O-N 3.02Å; I272-A275 VanDerWaalsContact O-N 3.14Å; I272-I276 HydrophobicContact CG2-CD1 3.98Å; I272-I276 WeakPolarHBondContact O-CG1 3.28Å; I272-I276 PolarHBondContact O-N 2.9Å
273	Q	98.7	Very high	98.4	Very high	118 Å²	118	51.7 Å²	51.7	55%	0.551	26%	0.264	S	S	*	.	H	α-helix	trans	-58.7	-42.1	175.7	-71.1	175.9	-1.1	0	0	110.8	Q269 E270 I276 M277	Q269-Q273 WeakPolarHBondContact O-CG 3.27Å; Q269-Q273 PolarHBondContact O-N 2.9Å; E270-Q273 PolarHBondContact O-N 2.77Å; Q273-I276 PolarHBondContact O-N 2.8Å; Q273-M277 WeakPolarHBondContact O-CG 3.1Å; Q273-M277 PolarHBondContact O-N 3.44Å
274	Q	98.8	Very high	98.4	Very high	86 Å²	86	54 Å²	54	40%	0.402	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-43.5	174.7	-168.8	62.4	54.4	0	0	112.1	E270 E271 I272 I276 M277 D278	E270-Q274 WeakPolarHBondContact O-CB 3.44Å; E270-Q274 PolarHBondContact O-N 3.34Å; E271-Q274 PolarHBondContact O-N 3.48Å; I272-Q274 VanDerWaalsContact C-N 3.26Å; I272-Q274 PolarHBondContact O-N 2.83Å; Q274-I276 VanDerWaalsContact C-N 3.31Å; Q274-I276 PolarHBondContact O-N 3.47Å; Q274-M277 PolarHBondContact O-N 2.97Å; Q274-D278 PolarHBondContact NE2-OD1 3.38Å; Q274-D278 WeakPolarHBondContact O-CB 3.24Å; Q274-D278 PolarHBondContact O-N 2.78Å
275	A	98.7	Very high	98.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.2	-40.8	177	0	0	0	0	0	113.2	F264 E271 I272 F279	F264-A275 HydrophobicContact CB-CB 4.11Å; F264-A275 HydrophobicContact CD1-CB 4.33Å; F264-A275 HydrophobicContact CD2-CB 4.19Å; F264-A275 HydrophobicContact CG-CB 3.95Å; E271-A275 WeakPolarHBondContact O-CB 3.29Å; E271-A275 PolarHBondContact O-N 3.37Å; I272-A275 WeakPolarHBondContact O-CB 3.46Å; I272-A275 PolarHBondContact O-N 3.02Å; I272-A275 VanDerWaalsContact O-N 3.14Å; A275-F279 WeakPolarHBondContact O-CB 3.27Å; A275-F279 PolarHBondContact O-N 2.8Å
276	I	98.6	Very high	98.3	Very high	36 Å²	36	53.6 Å²	53.6	19%	0.185	27%	0.273	C	S	.	.	H	α-helix	trans	-65.3	-47.2	175.7	-65.5	164.6	0	0	0	110.5	F264 I272 Q273 Q274 D278 F279 Q280	F264-I276 HydrophobicContact CD2-CG1 3.77Å; F264-I276 HydrophobicContact CE2-CG1 3.84Å; I272-I276 HydrophobicContact CG2-CD1 3.98Å; I272-I276 WeakPolarHBondContact O-CG1 3.28Å; I272-I276 PolarHBondContact O-N 2.9Å; Q273-I276 PolarHBondContact O-N 2.8Å; Q274-I276 VanDerWaalsContact C-N 3.31Å; Q274-I276 PolarHBondContact O-N 3.47Å; I276-D278 PolarHBondContact O-N 3.4Å; I276-F279 PolarHBondContact O-N 3.4Å; I276-Q280 HydrophobicContact CG2-CG 4.46Å; I276-Q280 WeakPolarHBondContact O-CB 3.28Å; I276-Q280 VanDerWaalsContact O-CG 3.28Å; I276-Q280 WeakPolarHBondContact O-CG 3.39Å; I276-Q280 PolarHBondContact O-N 2.69Å
277	M	98.5	Very high	98.3	Very high	94 Å²	94	58 Å²	58	46%	0.463	29%	0.293	S	S	.	.	H	α-helix	trans	-62.2	-42.4	177.9	-72.6	-172.4	-67.8	0	0	112.2	Q273 Q274 Q280 S281	Q273-M277 WeakPolarHBondContact O-CG 3.1Å; Q273-M277 PolarHBondContact O-N 3.44Å; Q274-M277 PolarHBondContact O-N 2.97Å; M277-Q280 PolarHBondContact O-N 3.5Å; M277-S281 VanDerWaalsContact O-CB 3.28Å; M277-S281 WeakPolarHBondContact O-CB 3.38Å; M277-S281 PolarHBondContact O-N 2.89Å; M277-S281 PolarHBondContact O-OG 2.91Å
278	D	98.7	Very high	98.2	Very high	5 Å²	5	64.5 Å²	64.5	3%	0.027	32%	0.318	C	S	.	.	H	α-helix	trans	-62.5	-44.8	178.3	-73.5	-13.1	0	0	0	111.2	R68 Q274 I276 S281 G282 T283 N284 F286	R68-D278 IonicContact CZ-OD2 2.73Å; R68-D278 IonicContact NH1-OD2 3.83Å; R68-D278 PolarHBondContact NH1-OD2 2.99Å; R68-D278 IonicContact NH2-OD2 3.01Å; R68-D278 PolarHBondContact NH2-OD2 3.41Å; Q274-D278 PolarHBondContact NE2-OD1 3.38Å; Q274-D278 WeakPolarHBondContact O-CB 3.24Å; Q274-D278 PolarHBondContact O-N 2.78Å; I276-D278 PolarHBondContact O-N 3.4Å; D278-S281 PolarHBondContact O-OG 3.37Å; D278-G282 WeakPolarHBondContact O-CA 3.35Å; D278-G282 PolarHBondContact O-N 2.9Å; D278-T283 WeakPolarHBondContact CB-O 3.32Å; D278-T283 PolarHBondContact O-N 2.81Å; D278-N284 HydrophobicContact CB-CB 4.39Å; D278-N284 PolarHBondContact OD1-ND2 3Å; D278-N284 WeakPolarHBondContact OD2-CB 3.31Å; D278-F286 HydrophobicContact CB-CD2 4.18Å
279	F	98.4	Very high	98	Very high	73 Å²	73	63.4 Å²	63.4	32%	0.32	31%	0.313	S	S	.	.	H	α-helix	trans	-64.1	-46.2	176.3	176.7	-115.1	0	0	0	112	P66 V108 F264 A275 I276 S281 G282 F286 A289	P66-F279 HydrophobicContact CB-CD2 3.88Å; P66-F279 HydrophobicContact CB-CE2 3.72Å; P66-F279 HydrophobicContact CB-CG 4.48Å; P66-F279 HydrophobicContact CB-CZ 4.17Å; P66-F279 HydrophobicContact CG-CD1 4.41Å; P66-F279 HydrophobicContact CG-CD2 4.23Å; P66-F279 HydrophobicContact CG-CE1 4.1Å; P66-F279 HydrophobicContact CG-CE2 3.92Å; P66-F279 HydrophobicContact CG-CG 4.47Å; P66-F279 HydrophobicContact CG-CZ 3.85Å; V108-F279 HydrophobicContact CG2-CD2 4.38Å; V108-F279 HydrophobicContact CG2-CE2 3.86Å; F264-F279 HydrophobicContact CZ-CB 3.8Å; F264-F279 HydrophobicContact CZ-CD1 4.18Å; F264-F279 AromaticContact CZ-CG 4Å; F264-F279 HydrophobicContact CZ-CG 4Å; A275-F279 WeakPolarHBondContact O-CB 3.27Å; A275-F279 PolarHBondContact O-N 2.8Å; I276-F279 PolarHBondContact O-N 3.4Å; F279-S281 PolarHBondContact O-N 3.04Å; F279-G282 PolarHBondContact O-N 3.48Å; F279-F286 HydrophobicContact CB-CD2 3.89Å; F279-F286 HydrophobicContact CB-CE2 4.01Å; F279-F286 HydrophobicContact CB-CG 4.31Å; F279-F286 AromaticContact CD2-CD1 3.94Å; F279-F286 HydrophobicContact CD2-CD1 3.94Å; F279-F286 HydrophobicContact CD2-CD2 4.45Å; F279-F286 HydrophobicContact CD2-CE1 4.17Å; F279-F286 HydrophobicContact CD2-CG 4.09Å; F279-A289 HydrophobicContact CE2-CB 4.35Å
280	Q	97.6	Very high	97.8	Very high	151 Å²	151	65.7 Å²	65.7	71%	0.706	32%	0.321	S	S	*	.	H	α-helix	trans	-65.7	-37.5	-179.7	-73.1	175.2	-8.4	0	0	113.1	I276 M277	I276-Q280 HydrophobicContact CG2-CG 4.46Å; I276-Q280 WeakPolarHBondContact O-CB 3.28Å; I276-Q280 VanDerWaalsContact O-CG 3.28Å; I276-Q280 WeakPolarHBondContact O-CG 3.39Å; I276-Q280 PolarHBondContact O-N 2.69Å; M277-Q280 PolarHBondContact O-N 3.5Å
281	S	97.6	Very high	97.4	Very high	66 Å²	66	66.6 Å²	66.6	46%	0.462	33%	0.33	S	S	.	.	H	α-helix	trans	-85.7	-13.9	179.5	62.2	0	0	0	0	113.5	M277 D278 F279 T283	M277-S281 VanDerWaalsContact O-CB 3.28Å; M277-S281 WeakPolarHBondContact O-CB 3.38Å; M277-S281 PolarHBondContact O-N 2.89Å; M277-S281 PolarHBondContact O-OG 2.91Å; D278-S281 PolarHBondContact O-OG 3.37Å; F279-S281 PolarHBondContact O-N 3.04Å; S281-T283 PolarHBondContact OG-OG1 3.36Å
282	G	97.6	Very high	97.3	Very high	13 Å²	13	66.8 Å²	66.8	13%	0.134	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	53.6	-173.4	0	0	0	0	0	111.7	D278 F279 F286 E287	D278-G282 WeakPolarHBondContact O-CA 3.35Å; D278-G282 PolarHBondContact O-N 2.9Å; F279-G282 PolarHBondContact O-N 3.48Å; G282-F286 CarbonylContact C-O 3.54Å; G282-F286 VanDerWaalsContact CA-O 3.28Å; G282-F286 WeakPolarHBondContact CA-O 3.32Å; G282-E287 VanDerWaalsContact O-CA 3.27Å; G282-E287 WeakPolarHBondContact O-CA 3.43Å
283	T	97.9	Very high	97.2	Very high	51 Å²	51	74.8 Å²	74.8	31%	0.313	36%	0.359	S	S	.	.			trans	-133.5	169.3	-177.7	60.8	0	0	0	0	112	D278 S281 G285 F286	D278-T283 WeakPolarHBondContact CB-O 3.32Å; D278-T283 PolarHBondContact O-N 2.81Å; S281-T283 PolarHBondContact OG-OG1 3.36Å; T283-G285 VanDerWaalsContact C-N 3.34Å; T283-G285 PolarHBondContact O-N 3.16Å; T283-F286 PolarHBondContact O-N 3.15Å
284	N	97.5	Very high	97.1	Very high	89 Å²	89	69.4 Å²	69.4	48%	0.476	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	46.4	172.7	-61	-42.1	0	0	0	114.4	R68 D278 E287	R68-N284 PolarHBondContact NH2-O 2.94Å; D278-N284 HydrophobicContact CB-CB 4.39Å; D278-N284 PolarHBondContact OD1-ND2 3Å; D278-N284 WeakPolarHBondContact OD2-CB 3.31Å; N284-E287 WeakPolarHBondContact CA-OE1 3.46Å; N284-E287 PolarHBondContact N-OE1 3Å
285	G	97.4	Very high	96.9	Very high	3 Å²	3	74 Å²	74	3%	0.031	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	108.8	-12.8	-177.3	0	0	0	0	0	115.1	F86 R105 T283 E287	F86-G285 WeakPolarHBondContact CZ-O 3.48Å; R105-G285 VanDerWaalsContact NE-CA 3.35Å; T283-G285 VanDerWaalsContact C-N 3.34Å; T283-G285 PolarHBondContact O-N 3.16Å; G285-E287 WeakPolarHBondContact CA-OE2 3.39Å; G285-E287 VanDerWaalsContact N-CD 3.32Å; G285-E287 PolarHBondContact N-OE1 2.83Å; G285-E287 PolarHBondContact N-OE2 3.28Å
286	F	98.5	Very high	96.7	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	36%	0.359	C	S	.	.			trans	-105.5	19.5	174.1	-66.5	-66.2	0	0	0	113.9	P66 R68 F86 G106 V108 F264 D278 F279 G282 T283 R288 A289	P66-F286 HydrophobicContact CB-CE1 4.07Å; P66-F286 HydrophobicContact CB-CZ 4.35Å; R68-F286 HydrophobicContact CB-CZ 4.26Å; R68-F286 VanDerWaalsContact NH2-CD2 3.28Å; R68-F286 VanDerWaalsContact NH2-CE2 3.26Å; F86-F286 HydrophobicContact CE2-CD1 4.06Å; G106-F286 VanDerWaalsContact CA-CZ 3.48Å; V108-F286 HydrophobicContact CG2-CD1 3.88Å; V108-F286 HydrophobicContact CG2-CE1 4.1Å; F264-F286 HydrophobicContact CE1-CE2 4.3Å; F264-F286 AromaticContact CE1-CZ 3.96Å; F264-F286 HydrophobicContact CE1-CZ 3.96Å; D278-F286 HydrophobicContact CB-CD2 4.18Å; F279-F286 HydrophobicContact CB-CD2 3.89Å; F279-F286 HydrophobicContact CB-CE2 4.01Å; F279-F286 HydrophobicContact CB-CG 4.31Å; F279-F286 AromaticContact CD2-CD1 3.94Å; F279-F286 HydrophobicContact CD2-CD1 3.94Å; F279-F286 HydrophobicContact CD2-CD2 4.45Å; F279-F286 HydrophobicContact CD2-CE1 4.17Å; F279-F286 HydrophobicContact CD2-CG 4.09Å; G282-F286 CarbonylContact C-O 3.54Å; G282-F286 VanDerWaalsContact CA-O 3.28Å; G282-F286 WeakPolarHBondContact CA-O 3.32Å; T283-F286 PolarHBondContact O-N 3.15Å; F286-R288 PolarHBondContact O-N 2.87Å; F286-R288 VanDerWaalsContact O-N 3.14Å; F286-A289 HydrophobicContact CB-CB 4.16Å; F286-A289 WeakPolarHBondContact O-CB 3.1Å; F286-A289 PolarHBondContact O-N 3.11Å
287	E	98	Very high	96.1	Very high	99 Å²	99	76.5 Å²	76.5	46%	0.463	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-56.4	-35.9	-176.9	-60.8	79.5	-173.5	0	0	112.7	G282 N284 G285	G282-E287 VanDerWaalsContact O-CA 3.27Å; G282-E287 WeakPolarHBondContact O-CA 3.43Å; N284-E287 WeakPolarHBondContact CA-OE1 3.46Å; N284-E287 PolarHBondContact N-OE1 3Å; G285-E287 WeakPolarHBondContact CA-OE2 3.39Å; G285-E287 VanDerWaalsContact N-CD 3.32Å; G285-E287 PolarHBondContact N-OE1 2.83Å; G285-E287 PolarHBondContact N-OE2 3.28Å
288	R	96.4	Very high	95.1	Very high	145 Å²	145	77.2 Å²	77.2	55%	0.547	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-82.6	-10.3	179.2	-61.3	-172	-178	-155.6	5	113.8	F86 C87 F286 K290 W292	F86-R288 HydrophobicContact CB-CB 4.22Å; F86-R288 HydrophobicContact CD2-CB 3.82Å; F86-R288 HydrophobicContact CE2-CB 4.25Å; F86-R288 HydrophobicContact CG-CB 3.97Å; F86-R288 WeakPolarHBondContact O-CB 3.42Å; F86-R288 VanDerWaalsContact O-CD 3.26Å; F86-R288 WeakPolarHBondContact O-CD 3.42Å; C87-R288 PolarHBondContact O-NH1 3.41Å; F286-R288 PolarHBondContact O-N 2.87Å; F286-R288 VanDerWaalsContact O-N 3.14Å; R288-K290 PolarHBondContact O-N 3.27Å; R288-W292 WeakPolarHBondContact O-CB 3.3Å
289	A	95.5	Very high	93.3	Very high	21 Å²	21	78.7 Å²	78.7	17%	0.174	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-67.1	-27.9	177.3	0	0	0	0	0	111.4	F86 V108 F279 F286 N291 W292	F86-A289 HydrophobicContact CD2-CB 4.11Å; F86-A289 HydrophobicContact CE2-CB 4.4Å; V108-A289 HydrophobicContact CG2-CB 3.75Å; F279-A289 HydrophobicContact CE2-CB 4.35Å; F286-A289 HydrophobicContact CB-CB 4.16Å; F286-A289 WeakPolarHBondContact O-CB 3.1Å; F286-A289 PolarHBondContact O-N 3.11Å; A289-N291 PolarHBondContact O-N 3.11Å; A289-N291 VanDerWaalsContact O-N 3.15Å; A289-W292 PolarHBondContact O-N 3.08Å
290	K	92.9	Very high	90.9	Very high	152 Å²	152	81.5 Å²	81.5	66%	0.661	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	116.9	179.9	-169.2	175.6	-176.1	175.1	0	110.5	R288 W292	R288-K290 PolarHBondContact O-N 3.27Å; K290-W292 PolarHBondContact O-N 2.54Å; K290-W292 VanDerWaalsContact O-N 3.16Å
291	N	91.1	Very high	90.5	Very high	149 Å²	149	78.1 Å²	78.1	80%	0.797	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	3.5	-178.9	-50.4	-40	0	0	0	115.6	A289	A289-N291 PolarHBondContact O-N 3.11Å; A289-N291 VanDerWaalsContact O-N 3.15Å
292	W	96.8	Very high	90.2	Very high	51 Å²	51	78.7 Å²	78.7	19%	0.193	39%	0.389	C	S	.	.			trans	-73.7	141.3	172.1	178.1	81.9	0	0	0	110.3	D64 E84 D85 F86 V108 R288 A289 K290	D64-W292 HydrophobicContact CB-CZ3 3.89Å; E84-W292 HydrophobicContact CG-CZ2 4.27Å; D85-W292 WeakPolarHBondContact O-CZ2 3.33Å; D85-W292 PolarHBondContact O-NE1 3.3Å; F86-W292 VanDerWaalsContact CA-CE2 3.4Å; F86-W292 HydrophobicContact CB-CB 4.24Å; F86-W292 HydrophobicContact CB-CD2 3.51Å; F86-W292 HydrophobicContact CB-CE3 3.88Å; F86-W292 HydrophobicContact CB-CG 3.68Å; F86-W292 HydrophobicContact CB-CZ2 4.4Å; F86-W292 HydrophobicContact CB-CZ3 4.45Å; V108-W292 HydrophobicContact CB-CE3 4.25Å; V108-W292 HydrophobicContact CB-CZ3 4.07Å; V108-W292 HydrophobicContact CG1-CE3 3.95Å; V108-W292 HydrophobicContact CG1-CZ3 3.59Å; R288-W292 WeakPolarHBondContact O-CB 3.3Å; A289-W292 PolarHBondContact O-N 3.08Å; K290-W292 PolarHBondContact O-N 2.54Å; K290-W292 VanDerWaalsContact O-N 3.16Å
293	R	96.1	Very high	89.7	Confident	169 Å²	169	82.3 Å²	82.3	64%	0.638	40%	0.403	S	S	*	.			trans	-145.5	127	174.5	-65.9	-177	168.6	-149.2	1.6	106.9	D64 R297	D64-R293 WeakPolarHBondContact OD2-CA 3.37Å; R293-R297 VanDerWaalsContact CD-NH1 3.27Å; R293-R297 VanDerWaalsContact NH1-NH2 3.11Å
294	S	96.8	Very high	89.3	Confident	5 Å²	5	84.2 Å²	84.2	4%	0.035	41%	0.408	C	S	.	.			trans	-67.3	152.2	174.8	73.6	0	0	0	0	110.3	D64 E84 A110 R297	D64-S294 WeakPolarHBondContact OD1-CB 3.26Å; D64-S294 PolarHBondContact OD1-N 3.47Å; D64-S294 PolarHBondContact OD1-OG 3.16Å; D64-S294 PolarHBondContact OD2-N 2.84Å; D64-S294 VanDerWaalsContact OD2-N 3.11Å; E84-S294 WeakPolarHBondContact OE2-CB 3.3Å; A110-S294 WeakPolarHBondContact CB-OG 3.28Å; S294-R297 WeakPolarHBondContact O-CD 3.14Å; S294-R297 WeakPolarHBondContact O-CG 3.35Å; S294-R297 VanDerWaalsContact OG-CB 3.31Å; S294-R297 WeakPolarHBondContact OG-CB 3.44Å; S294-R297 PolarHBondContact OG-N 2.94Å; S294-R297 VanDerWaalsContact OG-N 3.08Å
295	K	95.4	Very high	88.7	Confident	182 Å²	182	83.9 Å²	83.9	79%	0.791	40%	0.404	S	S	*	.	S	Bend	trans	-72.1	-26.5	172.1	-61.9	174.4	-173.7	170.4	0	111.1	E84	E84-K295 PolarHBondContact OE1-N 2.82Å; E84-K295 WeakPolarHBondContact OE2-CB 3.47Å; E84-K295 PolarHBondContact OE2-N 3.34Å
296	I	94.1	Very high	88.2	Confident	26 Å²	26	89.3 Å²	89.3	13%	0.133	43%	0.429	C	S	.	.	S	Bend	trans	-89	-17.5	-171.2	65.1	172.4	0	0	0	114.6	A82 E84 A110 M112 D298 S299	A82-I296 HydrophobicContact CB-CD1 4.31Å; E84-I296 HydrophobicContact CB-CD1 3.86Å; E84-I296 HydrophobicContact CB-CG1 4.07Å; E84-I296 PolarHBondContact OE2-N 3.13Å; A110-I296 HydrophobicContact CB-CD1 3.99Å; A110-I296 HydrophobicContact CB-CG1 3.84Å; M112-I296 HydrophobicContact CB-CB 4.39Å; M112-I296 HydrophobicContact CB-CD1 4.19Å; M112-I296 HydrophobicContact CB-CG1 4.4Å; M112-I296 HydrophobicContact CG-CB 4.22Å; M112-I296 HydrophobicContact CG-CD1 4.01Å; M112-I296 HydrophobicContact CG-CG1 3.92Å; M112-I296 WeakPolarHBondContact CG-O 3.46Å; I296-D298 PolarHBondContact O-N 2.65Å; I296-D298 VanDerWaalsContact O-N 3.1Å; I296-S299 VanDerWaalsContact C-OG 3.3Å; I296-S299 VanDerWaalsContact CA-OG 3.24Å; I296-S299 WeakPolarHBondContact CA-OG 3.25Å; I296-S299 VanDerWaalsContact O-CB 3.25Å; I296-S299 WeakPolarHBondContact O-CB 3.24Å; I296-S299 PolarHBondContact O-N 3.36Å; I296-S299 PolarHBondContact O-OG 2.91Å
297	R	85.1	Confident	87.4	Confident	62 Å²	62	95.6 Å²	95.6	23%	0.234	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-29.5	-175.8	68.3	-167.3	-162.5	145	18.8	115.8	P63 D64 R293 S294	P63-R297 HydrophobicContact CB-CB 3.86Å; D64-R297 VanDerWaalsContact OD2-CD 3.24Å; D64-R297 WeakPolarHBondContact OD2-CD 3.46Å; D64-R297 IonicContact OD2-NH1 3.62Å; R293-R297 VanDerWaalsContact CD-NH1 3.27Å; R293-R297 VanDerWaalsContact NH1-NH2 3.11Å; S294-R297 WeakPolarHBondContact O-CD 3.14Å; S294-R297 WeakPolarHBondContact O-CG 3.35Å; S294-R297 VanDerWaalsContact OG-CB 3.31Å; S294-R297 WeakPolarHBondContact OG-CB 3.44Å; S294-R297 PolarHBondContact OG-N 2.94Å; S294-R297 VanDerWaalsContact OG-N 3.08Å
298	D	78.3	Confident	86.6	Confident	109 Å²	109	95.4 Å²	95.4	58%	0.583	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	10.6	-175.9	-61.5	-45.3	0	0	0	111	I296 S300	I296-D298 PolarHBondContact O-N 2.65Å; I296-D298 VanDerWaalsContact O-N 3.1Å; D298-S300 PolarHBondContact O-N 3.02Å; D298-S300 PolarHBondContact O-OG 3.1Å
299	S	60.6	Low	85.8	Confident	36 Å²	36	91.3 Å²	91.3	25%	0.252	45%	0.452	S	S	.	.			trans	-59.4	105.5	-177.5	-56	0	0	0	0	109.8	I296	I296-S299 VanDerWaalsContact C-OG 3.3Å; I296-S299 VanDerWaalsContact CA-OG 3.24Å; I296-S299 WeakPolarHBondContact CA-OG 3.25Å; I296-S299 VanDerWaalsContact O-CB 3.25Å; I296-S299 WeakPolarHBondContact O-CB 3.24Å; I296-S299 PolarHBondContact O-N 3.36Å; I296-S299 PolarHBondContact O-OG 2.91Å
300	S	47.2	Very low	84.9	Confident	133 Å²	133	97.6 Å²	97.6	93%	0.93	48%	0.477	S	S	*	.			trans	-76	0	175.7	-19.6	0	0	0	0	110.6	D298	D298-S300 PolarHBondContact O-N 3.02Å; D298-S300 PolarHBondContact O-OG 3.1Å

Retrieved 300 of 300 residues in 70 ms (Link to these results)

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