A0A5K4F1I9_SCHMA Loading...

Leishmanolysin-like peptidase

AlphaFold DB , UniProt , Accession A0A5K4F1I9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 637 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.1	Very low	38.4	Very low	194 Å²	194	121.1 Å²	121.1	96%	0.956	59%	0.594	S	S	*	*				0	-53.6	0	-146.2	165	85.5	0	0	112	L3 R4 I5	M1-L3 PolarHBondContact O-N 3.08Å; M1-R4 PolarHBondContact O-N 3.13Å; M1-R4 VanDerWaalsContact O-N 3.14Å; M1-I5 PolarHBondContact O-N 3.28Å
2	F	35.8	Very low	38.3	Very low	175 Å²	175	116.6 Å²	116.6	77%	0.768	57%	0.573	S	S	*	*	H	α-helix	trans	-52.6	-43.9	176.1	-106.2	-92	0	0	0	114.6	R4 I5 V6	F2-R4 VanDerWaalsContact C-N 3.3Å; F2-R4 PolarHBondContact O-N 3.42Å; F2-I5 PolarHBondContact O-N 3.38Å; F2-V6 WeakPolarHBondContact O-CG2 3.08Å; F2-V6 PolarHBondContact O-N 2.9Å
3	L	36.4	Very low	37.8	Very low	138 Å²	138	117.3 Å²	117.3	72%	0.723	58%	0.575	S	S	*	*	H	α-helix	trans	-64.9	-32	-179.4	-155.8	73.4	0	0	0	113.1	M1 L7	M1-L3 PolarHBondContact O-N 3.08Å; L3-L7 HydrophobicContact CG-CD1 4.46Å; L3-L7 WeakPolarHBondContact O-CB 3.43Å; L3-L7 WeakPolarHBondContact O-CD1 3.19Å; L3-L7 PolarHBondContact O-N 2.82Å; L3-L7 VanDerWaalsContact O-N 3.14Å
4	R	37.8	Very low	37.4	Very low	206 Å²	206	117.2 Å²	117.2	78%	0.777	58%	0.576	S	S	*	*	H	α-helix	trans	-72.7	-37.1	175	-76.6	-170.5	178.6	-174.8	-0.5	111.7	M1 F2 T8	M1-R4 PolarHBondContact O-N 3.13Å; M1-R4 VanDerWaalsContact O-N 3.14Å; F2-R4 VanDerWaalsContact C-N 3.3Å; F2-R4 PolarHBondContact O-N 3.42Å; R4-T8 WeakPolarHBondContact O-CB 3.43Å; R4-T8 PolarHBondContact O-N 2.86Å; R4-T8 PolarHBondContact O-OG1 3.28Å
5	I	45.4	Very low	37.2	Very low	86 Å²	86	118.9 Å²	118.9	44%	0.441	59%	0.587	S	S	.	*	H	α-helix	trans	-66.4	-43.5	178.2	-63.6	169.3	0	0	0	110.4	M1 F2 T8 L9	M1-I5 PolarHBondContact O-N 3.28Å; F2-I5 PolarHBondContact O-N 3.38Å; I5-T8 PolarHBondContact O-N 3.23Å; I5-L9 HydrophobicContact CG2-CD1 3.88Å; I5-L9 WeakPolarHBondContact O-CG 3.29Å; I5-L9 PolarHBondContact O-N 2.88Å
6	V	39.5	Very low	37.2	Very low	77 Å²	77	114.1 Å²	114.1	47%	0.467	57%	0.568	S	S	.	*	H	α-helix	trans	-64.8	-44.4	177.4	177.8	0	0	0	0	111.3	F2 T8 L9 V10	F2-V6 WeakPolarHBondContact O-CG2 3.08Å; F2-V6 PolarHBondContact O-N 2.9Å; V6-T8 VanDerWaalsContact C-N 3.32Å; V6-T8 PolarHBondContact O-N 2.94Å; V6-L9 PolarHBondContact O-N 2.87Å; V6-V10 HydrophobicContact CG1-CG2 4.37Å; V6-V10 WeakPolarHBondContact O-CG2 3.2Å; V6-V10 PolarHBondContact O-N 3.2Å
7	L	38.7	Very low	36.8	Very low	91 Å²	91	115.7 Å²	115.7	48%	0.476	57%	0.574	S	S	.	*	H	α-helix	trans	-61.1	-40.2	174.9	-86.7	154.9	0	0	0	111.9	L3 L9 V10 F11	L3-L7 HydrophobicContact CG-CD1 4.46Å; L3-L7 WeakPolarHBondContact O-CB 3.43Å; L3-L7 WeakPolarHBondContact O-CD1 3.19Å; L3-L7 PolarHBondContact O-N 2.82Å; L3-L7 VanDerWaalsContact O-N 3.14Å; L7-L9 PolarHBondContact O-N 2.85Å; L7-V10 PolarHBondContact O-N 2.77Å; L7-F11 HydrophobicContact CD2-CE2 4.24Å; L7-F11 WeakPolarHBondContact O-CB 3.22Å; L7-F11 VanDerWaalsContact O-CD2 3.3Å; L7-F11 WeakPolarHBondContact O-CD2 3.28Å; L7-F11 PolarHBondContact O-N 2.94Å
8	T	42.2	Very low	36.8	Very low	74 Å²	74	114.3 Å²	114.3	45%	0.454	57%	0.573	S	S	.	*	H	α-helix	trans	-67.7	-36.3	178.5	-41.3	0	0	0	0	112	R4 I5 V6 L12	R4-T8 WeakPolarHBondContact O-CB 3.43Å; R4-T8 PolarHBondContact O-N 2.86Å; R4-T8 PolarHBondContact O-OG1 3.28Å; I5-T8 PolarHBondContact O-N 3.23Å; V6-T8 VanDerWaalsContact C-N 3.32Å; V6-T8 PolarHBondContact O-N 2.94Å; T8-L12 PolarHBondContact O-N 3.27Å
9	L	37	Very low	37.6	Very low	93 Å²	93	111.6 Å²	111.6	49%	0.487	56%	0.557	S	S	.	*	H	α-helix	trans	-70.1	-39.2	175.9	-74.5	163.6	0	0	0	112.6	I5 V6 L7 L12 Q13	I5-L9 HydrophobicContact CG2-CD1 3.88Å; I5-L9 WeakPolarHBondContact O-CG 3.29Å; I5-L9 PolarHBondContact O-N 2.88Å; V6-L9 PolarHBondContact O-N 2.87Å; L7-L9 PolarHBondContact O-N 2.85Å; L9-L12 PolarHBondContact O-N 2.85Å; L9-Q13 PolarHBondContact O-N 2.83Å
10	V	35.9	Very low	38.6	Very low	68 Å²	68	107.9 Å²	107.9	41%	0.412	54%	0.538	S	S	.	.	H	α-helix	trans	-69.1	-37.4	175.7	174.9	0	0	0	0	111.1	V6 L7 Q13	V6-V10 HydrophobicContact CG1-CG2 4.37Å; V6-V10 WeakPolarHBondContact O-CG2 3.2Å; V6-V10 PolarHBondContact O-N 3.2Å; L7-V10 PolarHBondContact O-N 2.77Å; V10-Q13 PolarHBondContact O-N 3.11Å
11	F	33	Very low	39.5	Very low	130 Å²	130	104 Å²	104	57%	0.57	52%	0.52	S	S	*	.	H	α-helix	trans	-69	-31.8	173.1	-91.2	-83.8	0	0	0	112.9	L7 Q13 I14 L15	L7-F11 HydrophobicContact CD2-CE2 4.24Å; L7-F11 WeakPolarHBondContact O-CB 3.22Å; L7-F11 VanDerWaalsContact O-CD2 3.3Å; L7-F11 WeakPolarHBondContact O-CD2 3.28Å; L7-F11 PolarHBondContact O-N 2.94Å; F11-Q13 VanDerWaalsContact C-N 3.33Å; F11-I14 PolarHBondContact O-N 3.17Å; F11-L15 PolarHBondContact O-N 2.75Å
12	L	36.7	Very low	40.3	Very low	67 Å²	67	95.5 Å²	95.5	35%	0.351	48%	0.48	S	S	.	.	H	α-helix	trans	-66.2	-34.4	172.9	-116.5	90.7	0	0	0	112.5	T8 L9 I14 S415	T8-L12 PolarHBondContact O-N 3.27Å; L9-L12 PolarHBondContact O-N 2.85Å; L12-I14 VanDerWaalsContact C-N 3.27Å; L12-I14 PolarHBondContact O-N 3.36Å; L12-S415 WeakPolarHBondContact CD2-OG 3.45Å
13	Q	31.9	Very low	41.4	Very low	126 Å²	126	91.2 Å²	91.2	59%	0.589	46%	0.461	S	S	*	.	H	α-helix	trans	-68	-25.4	178.5	-76.9	-177.8	-14.8	0	0	113.4	L9 V10 F11	L9-Q13 PolarHBondContact O-N 2.83Å; V10-Q13 PolarHBondContact O-N 3.11Å; F11-Q13 VanDerWaalsContact C-N 3.33Å
14	I	31.6	Very low	42.2	Very low	116 Å²	116	85.7 Å²	85.7	60%	0.595	43%	0.432	S	S	*	.	H	α-helix	trans	-89.3	-23.9	-177.5	-61.4	172.1	0	0	0	111.8	F11 L12 C16	F11-I14 PolarHBondContact O-N 3.17Å; L12-I14 VanDerWaalsContact C-N 3.27Å; L12-I14 PolarHBondContact O-N 3.36Å; I14-C16 PolarHBondContact O-N 2.71Å
15	L	34.8	Very low	43.1	Very low	142 Å²	142	77.3 Å²	77.3	74%	0.743	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	9.1	-170.9	-77.6	165.2	0	0	0	115.9	F11	F11-L15 PolarHBondContact O-N 2.75Å
16	C	37.1	Very low	43.4	Very low	42 Å²	42	84.8 Å²	84.8	28%	0.284	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128	34.6	175.5	-141.3	0	0	0	0	112.9	I14	I14-C16 PolarHBondContact O-N 2.71Å
17	Q	30.9	Very low	44	Very low	142 Å²	142	83.8 Å²	83.8	66%	0.664	42%	0.421	S	S	*	.			trans	-131.7	87.8	177.2	-67.6	-169.5	3.7	0	0	111.1
18	T	36	Very low	44.6	Very low	91 Å²	91	82.9 Å²	82.9	56%	0.558	42%	0.423	S	S	*	.			trans	165.6	81.9	147.1	40.6	0	0	0	0	105.8	H20 D181	T18-H20 PolarHBondContact O-N 3.07Å; T18-D181 WeakPolarHBondContact CB-OD1 3.34Å
19	K	52.8	Low	45.3	Very low	63 Å²	63	84 Å²	84	27%	0.274	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-78.5	122.6	172.3	-82.1	-170.2	171.1	-151.7	0	107	V21 S465	K19-V21 PolarHBondContact O-N 3.08Å; K19-V21 VanDerWaalsContact O-N 3.13Å; K19-S465 VanDerWaalsContact NZ-CB 3.27Å; K19-S465 PolarHBondContact NZ-OG 3.01Å; K19-S465 VanDerWaalsContact NZ-OG 3.09Å
20	H	57.2	Low	46.4	Very low	36 Å²	36	81.7 Å²	81.7	17%	0.167	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-62	120.3	173.5	-54.2	-76.4	0	0	0	110.1	T18 D180 D181 L183 Q209 S347 Y348	T18-H20 PolarHBondContact O-N 3.07Å; H20-D180 PolarHBondContact CE1-O 3.29Å; H20-D180 PolarHBondContact ND1-O 3.46Å; H20-D181 CarbonylContact C-O 3.56Å; H20-D181 VanDerWaalsContact C-O 3.28Å; H20-D181 WeakPolarHBondContact CA-O 3.5Å; H20-D181 VanDerWaalsContact CB-O 3.24Å; H20-D181 WeakPolarHBondContact CB-O 3.14Å; H20-L183 HydrophobicContact CB-CD1 3.87Å; H20-L183 HydrophobicContact CB-CD2 4.1Å; H20-L183 HydrophobicContact CB-CG 3.59Å; H20-Q209 PolarHBondContact CE1-OE1 2.82Å; H20-S347 WeakPolarHBondContact O-CA 3.41Å; H20-Y348 PolarHBondContact O-N 3.47Å
21	V	57.6	Low	48.1	Very low	28 Å²	28	80.1 Å²	80.1	17%	0.17	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-99.1	122.8	178.6	174.1	0	0	0	0	107	K19 K23 D181 T329 L467	K19-V21 PolarHBondContact O-N 3.08Å; K19-V21 VanDerWaalsContact O-N 3.13Å; V21-K23 HydrophobicContact CG1-CG 4.39Å; V21-K23 PolarHBondContact O-N 2.81Å; V21-D181 PolarHBondContact N-O 2.86Å; V21-T329 HydrophobicContact CG1-CG2 3.93Å; V21-T329 WeakPolarHBondContact CG1-OG1 3.24Å; V21-L467 HydrophobicContact CG2-CD1 4.36Å
22	C	57.2	Low	49.9	Very low	15 Å²	15	74.5 Å²	74.5	10%	0.101	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-67.8	125.1	175.2	-62.2	0	0	0	0	108.8	H226 G328 T329 H333 G346	C22-H226 PolarHBondContact SG-NE2 2.79Å; C22-H226 VanDerWaalsContact SG-NE2 3.4Å; C22-G328 VanDerWaalsContact O-O 3.12Å; C22-T329 PolarHBondContact O-OG1 2.91Å; C22-H333 WeakPolarHBondContact CB-NE2 3.4Å; C22-G346 PolarHBondContact N-O 3.07Å
23	K	59	Low	51	Low	85 Å²	85	71.3 Å²	71.3	37%	0.37	37%	0.367	S	S	.	.			trans	-122.2	126.5	179.4	-64.7	178.7	-177.8	167.5	0	110.9	V21 L182 Y185 G328	V21-K23 HydrophobicContact CG1-CG 4.39Å; V21-K23 PolarHBondContact O-N 2.81Å; K23-L182 HydrophobicContact CB-CD1 3.72Å; K23-L182 HydrophobicContact CG-CD1 4.2Å; K23-Y185 VanDerWaalsContact O-CB 3.3Å; K23-Y185 WeakPolarHBondContact O-CB 3.5Å; K23-G328 VanDerWaalsContact CA-O 3.32Å; K23-G328 WeakPolarHBondContact CA-O 3.5Å
24	V	54.1	Low	52.6	Low	21 Å²	21	67.1 Å²	67.1	13%	0.127	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-83.6	135.6	170.4	-178.4	0	0	0	0	110	L187 G328 V332	V24-L187 HydrophobicContact CG1-CD1 3.62Å; V24-L187 HydrophobicContact CG1-CD2 3.45Å; V24-L187 VanDerWaalsContact CG1-CD2 3.45Å; V24-L187 HydrophobicContact CG1-CG 3.55Å; V24-G328 PolarHBondContact N-O 3.01Å; V24-V332 HydrophobicContact CG2-CB 4.17Å; V24-V332 HydrophobicContact CG2-CG1 4.45Å; V24-V332 HydrophobicContact CG2-CG2 3.79Å
25	P	55.8	Low	53.7	Low	31 Å²	31	62 Å²	62	20%	0.201	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-64.3	162.7	177.7	-19.5	31.7	0	0	0	113.2	F130 Y185 L187	P25-F130 HydrophobicContact CB-CE1 4.03Å; P25-F130 HydrophobicContact CG-CE1 4.23Å; P25-Y185 HydrophobicContact CG-CD2 3.24Å; P25-Y185 HydrophobicContact CG-CE2 3.83Å; P25-Y185 HydrophobicContact CG-CG 3.88Å; P25-L187 HydrophobicContact CB-CD1 4.3Å; P25-L187 HydrophobicContact CG-CD1 4.29Å
26	R	51.9	Low	54.1	Low	242 Å²	242	58.3 Å²	58.3	91%	0.913	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-61	143.8	170.8	-70	-171.7	-177.3	-177.2	1.4	111.2
27	T	51.5	Low	54.3	Low	56 Å²	56	62.2 Å²	62.2	34%	0.344	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-70.6	149.9	-171.1	56.7	0	0	0	0	112.8	T237 D267 I269	T27-T237 HydrophobicContact CG2-CG2 3.35Å; T27-D267 PolarHBondContact OG1-O 3.43Å; T27-I269 HydrophobicContact CG2-CD1 3.95Å; T27-I269 HydrophobicContact CG2-CG1 3.94Å
28	S	52.6	Low	54.4	Low	73 Å²	73	58.9 Å²	58.9	51%	0.51	32%	0.32	S	S	.	.			trans	-112.1	154.2	167.3	-165.3	0	0	0	0	108.3	I30	S28-I30 PolarHBondContact O-N 3.23Å
29	P	57.2	Low	54.5	Low	96 Å²	96	65.9 Å²	65.9	62%	0.623	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-53.3	133.6	173.9	-22.7	32	0	0	0	111	I31	P29-I31 PolarHBondContact O-N 3.15Å
30	I	60.5	Low	54	Low	46 Å²	46	68.4 Å²	68.4	24%	0.236	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-70.1	120.5	-178.4	-63.4	173.5	0	0	0	109.6	S28 L191 F241 Y270	S28-I30 PolarHBondContact O-N 3.23Å; I30-L191 HydrophobicContact CG2-CD1 3.49Å; I30-L191 VanDerWaalsContact CG2-CD1 3.49Å; I30-L191 HydrophobicContact CG2-CG 3.78Å; I30-F241 HydrophobicContact CD1-CD2 4.08Å; I30-F241 HydrophobicContact CD1-CE2 3.22Å; I30-F241 HydrophobicContact CD1-CZ 3.54Å; I30-Y270 HydrophobicContact CD1-CD2 4.18Å; I30-Y270 HydrophobicContact CD1-CE2 4.41Å
31	I	71.5	Confident	53.2	Low	34 Å²	34	73.5 Å²	73.5	17%	0.174	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.5	175.9	-58.1	171.4	0	0	0	108.7	P29 E97 Q99 Q190 L191	P29-I31 PolarHBondContact O-N 3.15Å; I31-E97 HydrophobicContact CG2-CB 3.91Å; I31-Q99 HydrophobicContact CD1-CB 4.44Å; I31-Q99 HydrophobicContact CD1-CG 3.34Å; I31-Q190 HydrophobicContact CB-CG 4.11Å; I31-Q190 HydrophobicContact CG2-CG 4.24Å; I31-Q190 VanDerWaalsContact O-CA 3.26Å; I31-Q190 WeakPolarHBondContact O-CA 3.36Å; I31-L191 PolarHBondContact O-N 2.93Å
32	H	69.3	Low	52.7	Low	12 Å²	12	84.7 Å²	84.7	6%	0.056	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.3	176.7	-64.6	75.7	0	0	0	110.5	E97 I117 L191 F193 D196 F241	H32-E97 WeakPolarHBondContact O-CG 3.48Å; H32-I117 HydrophobicContact CB-CD1 3.83Å; H32-L191 CarbonylContact C-O 3.55Å; H32-L191 VanDerWaalsContact CA-O 3.23Å; H32-L191 WeakPolarHBondContact CA-O 3.37Å; H32-F193 HydrophobicContact CB-CB 4.45Å; H32-F193 HydrophobicContact CB-CD2 4.38Å; H32-D196 IonicContact NE2-OD1 2.73Å; H32-F241 AromaticContact NE2-CE1 3.89Å
33	A	59.8	Low	52.3	Low	0 Å²	0	88.1 Å²	88.1	0%	0	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	143.8	170.7	0	0	0	0	0	111.1	I94 L96 L191 F193 V199	A33-I94 HydrophobicContact CB-CG2 3.94Å; A33-L96 HydrophobicContact CB-CD2 3.7Å; A33-L191 PolarHBondContact N-O 3.03Å; A33-F193 WeakPolarHBondContact O-CB 3.39Å; A33-F193 PolarHBondContact O-N 2.84Å; A33-V199 HydrophobicContact CB-CG2 3.85Å
34	T	66.1	Low	52.1	Low	39 Å²	39	90.6 Å²	90.6	24%	0.239	47%	0.469	C	S	.	.	B	Isolated β-bridge	trans	-83	131.7	176	-62.7	0	0	0	0	111.1	I95 E97 K143	T34-I95 PolarHBondContact N-O 3.26Å; T34-I95 PolarHBondContact O-N 2.72Å; T34-E97 WeakPolarHBondContact CB-OE1 3.42Å; T34-E97 PolarHBondContact OG1-OE1 3.22Å; T34-K143 PolarHBondContact OG1-NZ 3.02Å
35	S	55.8	Low	52.6	Low	8 Å²	8	92.6 Å²	92.6	6%	0.056	48%	0.482	C	S	.	.			trans	-119.8	138.5	156	77.5	0	0	0	0	109.4	N37 E192	S35-N37 PolarHBondContact O-N 2.73Å; S35-E192 PolarHBondContact OG-OE1 3.07Å
36	C	42.8	Very low	53.8	Low	65 Å²	65	96.7 Å²	96.7	44%	0.439	50%	0.503	S	S	.	.			trans	-74.6	110.2	172.3	-73.6	0	0	0	0	108.3	S38 S91	C36-S38 PolarHBondContact O-N 3.3Å; C36-S91 PolarHBondContact O-OG 3.41Å
37	N	40.9	Very low	55.7	Low	124 Å²	124	87.1 Å²	87.1	66%	0.663	47%	0.473	S	S	*	.			trans	-73.4	68.2	163.4	-85.1	-22.2	0	0	0	109.5	S35	S35-N37 PolarHBondContact O-N 2.73Å
38	S	32.4	Very low	57.9	Low	71 Å²	71	87.8 Å²	87.8	50%	0.497	47%	0.472	S	S	.	.			trans	-87.4	139.5	159.3	87.5	0	0	0	0	108.1	C36 S40 S91	C36-S38 PolarHBondContact O-N 3.3Å; S38-S40 PolarHBondContact O-N 2.96Å; S38-S91 PolarHBondContact N-OG 2.72Å; S38-S91 WeakPolarHBondContact O-CB 3.14Å; S38-S91 PolarHBondContact O-OG 2.5Å; S38-S91 WeakPolarHBondContact OG-CB 3.45Å; S38-S91 PolarHBondContact OG-OG 3.1Å
39	R	39.7	Very low	60	Low	238 Å²	238	84.4 Å²	84.4	90%	0.898	45%	0.449	S	S	*	.			trans	-38.3	133.9	-176.2	-70.1	173	173.7	174.2	-3.3	112.3	K41	R39-K41 PolarHBondContact O-N 3.26Å; R39-K41 VanDerWaalsContact O-N 3.13Å
40	S	42.3	Very low	61.9	Low	117 Å²	117	84.6 Å²	84.6	82%	0.818	44%	0.439	S	S	*	.			trans	-32.4	115.1	170.2	162	0	0	0	0	111.6	S38	S38-S40 PolarHBondContact O-N 2.96Å
41	K	38.8	Very low	63.7	Low	142 Å²	142	83 Å²	83	62%	0.617	43%	0.431	S	S	*	.			trans	-66.6	142.1	167.3	-84.1	180	179.4	167.2	0	108.4	R39 S43	R39-K41 PolarHBondContact O-N 3.26Å; R39-K41 VanDerWaalsContact O-N 3.13Å; K41-S43 PolarHBondContact O-N 2.81Å; K41-S43 VanDerWaalsContact O-N 3.08Å
42	R	46.8	Very low	64.9	Low	264 Å²	264	83 Å²	83	100%	0.996	43%	0.432	S	S	*	.	S	Bend	trans	-63.8	-11.9	-171.6	-133.2	175.5	-170.7	172	1	115.5
43	S	50.6	Low	66.3	Low	86 Å²	86	84.3 Å²	84.3	60%	0.601	44%	0.441	S	S	*	.	S	Bend	trans	-95.7	116.9	167.5	59.2	0	0	0	0	108	K41 P45	K41-S43 PolarHBondContact O-N 2.81Å; K41-S43 VanDerWaalsContact O-N 3.08Å; S43-P45 WeakPolarHBondContact O-CD 3.43Å
44	T	54.5	Low	68.1	Low	138 Å²	138	85.9 Å²	85.9	85%	0.847	45%	0.451	S	S	*	.			trans	-52.1	109.6	170.1	37.3	0	0	0	0	108.3
45	P	64.3	Low	69.5	Low	62 Å²	62	86.2 Å²	86.2	40%	0.403	45%	0.448	S	S	.	.			trans	-58.4	151.6	174.7	-16.2	29.4	0	0	0	108.4	S43 S47 V89	S43-P45 WeakPolarHBondContact O-CD 3.43Å; P45-S47 PolarHBondContact O-N 2.84Å; P45-V89 HydrophobicContact CB-CB 4.5Å; P45-V89 HydrophobicContact CB-CG1 3.89Å; P45-V89 HydrophobicContact CG-CB 4.41Å; P45-V89 HydrophobicContact CG-CG1 4.13Å
46	N	80.9	Confident	71.4	Confident	117 Å²	117	86 Å²	86	63%	0.626	45%	0.446	S	S	*	.			trans	-54	117.5	170.9	-177.1	1.8	0	0	0	108.7	Q48 N163	N46-Q48 WeakPolarHBondContact OD1-CB 3.3Å; N46-Q48 PolarHBondContact OD1-N 2.9Å; N46-N163 WeakPolarHBondContact O-CB 3.47Å; N46-N163 PolarHBondContact O-ND2 3.3Å
47	S	92	Very high	73.8	Confident	42 Å²	42	86 Å²	86	29%	0.294	45%	0.447	S	S	.	.			trans	-89	-12.9	-177.6	56.8	0	0	0	0	112.9	P45 L49 S85 V86	P45-S47 PolarHBondContact O-N 2.84Å; S47-L49 PolarHBondContact O-N 3Å; S47-S85 CarbonylContact O-C 3.54Å; S47-S85 WeakPolarHBondContact O-CA 3.4Å; S47-S85 WeakPolarHBondContact O-CB 3.03Å; S47-V86 WeakPolarHBondContact CB-O 3.5Å; S47-V86 PolarHBondContact O-N 2.93Å
48	Q	96.8	Very high	76.2	Confident	70 Å²	70	80.8 Å²	80.8	33%	0.327	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-56.6	130.3	-177.4	-159.6	72.6	48.3	0	0	110.3	N46 K50 E81 L84 S85 N163	N46-Q48 WeakPolarHBondContact OD1-CB 3.3Å; N46-Q48 PolarHBondContact OD1-N 2.9Å; Q48-K50 PolarHBondContact O-N 2.78Å; Q48-E81 VanDerWaalsContact CD-O 3.28Å; Q48-E81 VanDerWaalsContact CG-O 3.28Å; Q48-E81 WeakPolarHBondContact CG-O 3.29Å; Q48-E81 PolarHBondContact NE2-O 2.94Å; Q48-L84 PolarHBondContact NE2-O 3.2Å; Q48-S85 WeakPolarHBondContact CA-OG 3.31Å; Q48-S85 PolarHBondContact NE2-OG 3.47Å; Q48-S85 PolarHBondContact OE1-OG 2.9Å; Q48-N163 PolarHBondContact O-ND2 2.96Å
49	L	97.7	Very high	79.1	Confident	2 Å²	2	77.4 Å²	77.4	1%	0.01	40%	0.399	C	S	.	.			trans	-58.9	134.7	179	-177.5	65.9	0	0	0	109.7	S47 F51 E81 L84 V86 L232 Y368	S47-L49 PolarHBondContact O-N 3Å; L49-F51 HydrophobicContact CD2-CE1 4.18Å; L49-F51 HydrophobicContact CD2-CE2 4.03Å; L49-F51 HydrophobicContact CD2-CZ 3.57Å; L49-F51 HydrophobicContact CG-CE2 4.45Å; L49-F51 HydrophobicContact CG-CZ 4.25Å; L49-E81 WeakPolarHBondContact O-CG 3.43Å; L49-L84 HydrophobicContact CB-CB 4.21Å; L49-L84 WeakPolarHBondContact CB-O 3.35Å; L49-L84 HydrophobicContact CD2-CB 3.97Å; L49-L84 HydrophobicContact CD2-CD1 4.11Å; L49-L84 PolarHBondContact N-O 2.8Å; L49-V86 HydrophobicContact CD1-CG2 4.05Å; L49-L232 HydrophobicContact CD2-CD2 3.95Å; L49-Y368 HydrophobicContact CD1-CE1 4.46Å
50	K	96.8	Very high	81.7	Confident	99 Å²	99	71.3 Å²	71.3	43%	0.43	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.7	177.7	-169.8	72.6	-156.4	148.8	0	111.4	Q48 E81 N163 G164 Y165	Q48-K50 PolarHBondContact O-N 2.78Å; K50-E81 WeakPolarHBondContact CD-OE1 3.38Å; K50-E81 VanDerWaalsContact CE-OE1 3.32Å; K50-E81 WeakPolarHBondContact CE-OE1 3.37Å; K50-E81 IonicContact NZ-OE1 3.21Å; K50-E81 PolarHBondContact NZ-OE1 3.16Å; K50-E81 IonicContact NZ-OE2 3.94Å; K50-E81 PolarHBondContact NZ-OE2 2.9Å; K50-N163 PolarHBondContact N-O 2.67Å; K50-G164 CarbonylContact O-C 3.36Å; K50-G164 VanDerWaalsContact O-CA 3.27Å; K50-G164 WeakPolarHBondContact O-CA 3.37Å; K50-Y165 PolarHBondContact O-N 2.98Å
51	F	98.2	Very high	84.1	Confident	14 Å²	14	73.8 Å²	73.8	6%	0.061	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	130.6	174.8	-64.8	-73.6	0	0	0	111.6	L49 V53 L77 W80 E81 Y165 V167 M228 L232	L49-F51 HydrophobicContact CD2-CE1 4.18Å; L49-F51 HydrophobicContact CD2-CE2 4.03Å; L49-F51 HydrophobicContact CD2-CZ 3.57Å; L49-F51 HydrophobicContact CG-CE2 4.45Å; L49-F51 HydrophobicContact CG-CZ 4.25Å; F51-V53 HydrophobicContact CB-CG2 4.24Å; F51-L77 HydrophobicContact CB-CD1 4.34Å; F51-L77 HydrophobicContact CB-CD2 4.44Å; F51-L77 HydrophobicContact CD1-CD2 4.14Å; F51-L77 HydrophobicContact CD2-CB 3.89Å; F51-L77 HydrophobicContact CD2-CD2 3.79Å; F51-L77 HydrophobicContact CD2-CG 4.32Å; F51-L77 HydrophobicContact CE1-CD2 4.37Å; F51-L77 HydrophobicContact CE2-CB 4.37Å; F51-L77 HydrophobicContact CE2-CD2 4.03Å; F51-L77 HydrophobicContact CG-CD2 3.86Å; F51-L77 HydrophobicContact CZ-CD2 4.31Å; F51-W80 HydrophobicContact CE2-CB 3.68Å; F51-W80 HydrophobicContact CZ-CB 3.85Å; F51-E81 HydrophobicContact CD2-CG 3.45Å; F51-E81 VanDerWaalsContact CD2-CG 3.45Å; F51-E81 HydrophobicContact CE2-CG 3.78Å; F51-E81 PolarHBondContact N-OE1 3.34Å; F51-Y165 WeakPolarHBondContact CA-O 3.49Å; F51-Y165 AromaticContact CD1-CD1 3.66Å; F51-Y165 HydrophobicContact CD1-CD1 3.66Å; F51-Y165 AromaticContact CD1-CG 3.94Å; F51-Y165 HydrophobicContact CD1-CG 3.94Å; F51-Y165 AromaticContact CE1-CD1 3.7Å; F51-Y165 HydrophobicContact CE1-CD1 3.7Å; F51-Y165 HydrophobicContact CE1-CE1 4.4Å; F51-Y165 AromaticContact CE1-CG 3.78Å; F51-Y165 HydrophobicContact CE1-CG 3.78Å; F51-V167 HydrophobicContact CB-CG1 4.25Å; F51-V167 HydrophobicContact CD1-CB 4.49Å; F51-V167 HydrophobicContact CD1-CG1 4.11Å; F51-V167 HydrophobicContact CG-CG1 4.48Å; F51-M228 HydrophobicContact CD1-CE 4.13Å; F51-M228 HydrophobicContact CE1-CE 3.38Å; F51-M228 HydrophobicContact CZ-CE 3.72Å; F51-L232 HydrophobicContact CE1-CD2 4.19Å; F51-L232 HydrophobicContact CZ-CD1 4.42Å; F51-L232 HydrophobicContact CZ-CD2 4.2Å
52	T	97.3	Very high	86.5	Confident	32 Å²	32	68.4 Å²	68.4	20%	0.196	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116.2	160	-61.4	0	0	0	0	106.9	Y138 Y165 L166 V167	T52-Y138 HydrophobicContact CG2-CE1 4.1Å; T52-Y138 VanDerWaalsContact CG2-OH 3.29Å; T52-Y138 WeakPolarHBondContact CG2-OH 3.2Å; T52-Y165 PolarHBondContact N-O 2.85Å; T52-L166 HydrophobicContact CG2-CD1 3.82Å; T52-L166 WeakPolarHBondContact O-CA 3.22Å; T52-V167 PolarHBondContact O-N 2.03Å
53	V	97.5	Very high	88.5	Confident	40 Å²	40	61.5 Å²	61.5	24%	0.242	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.2	-172.3	-170	0	0	0	0	110.4	F51 Y55 L77 V167 V169	F51-V53 HydrophobicContact CB-CG2 4.24Å; V53-Y55 HydrophobicContact CB-CE2 4.35Å; V53-Y55 HydrophobicContact CG1-CD1 4Å; V53-Y55 HydrophobicContact CG1-CD2 4.35Å; V53-Y55 HydrophobicContact CG1-CE1 3.58Å; V53-Y55 HydrophobicContact CG1-CE2 3.94Å; V53-Y55 HydrophobicContact CG1-CG 4.38Å; V53-L77 HydrophobicContact CG2-CD1 3.39Å; V53-V167 WeakPolarHBondContact CA-O 3.22Å; V53-V167 HydrophobicContact CB-CG1 4.26Å; V53-V167 HydrophobicContact CG1-CG1 4.21Å; V53-V167 HydrophobicContact CG2-CG1 3.86Å; V53-V169 HydrophobicContact CG1-CB 4.46Å; V53-V169 HydrophobicContact CG1-CG2 3.78Å
54	V	97.2	Very high	90.3	Very high	33 Å²	33	59.9 Å²	59.9	20%	0.2	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	109.7	167.9	179.2	0	0	0	0	107.9	Y138 L166 V167 F168 V169	V54-Y138 HydrophobicContact CG2-CE2 4.35Å; V54-L166 HydrophobicContact CG2-CD1 3.81Å; V54-V167 PolarHBondContact N-O 3.24Å; V54-F168 HydrophobicContact CB-CD1 3.77Å; V54-F168 HydrophobicContact CB-CE1 3.87Å; V54-F168 HydrophobicContact CB-CG 4.38Å; V54-F168 HydrophobicContact CG1-CD1 3.75Å; V54-F168 HydrophobicContact CG1-CE1 3.75Å; V54-F168 HydrophobicContact CG2-CE1 4.16Å; V54-F168 HydrophobicContact CG2-CZ 4.44Å; V54-F168 WeakPolarHBondContact O-CA 3.18Å; V54-V169 PolarHBondContact O-N 3.09Å
55	Y	96.6	Very high	92.1	Very high	46 Å²	46	54.5 Å²	54.5	18%	0.18	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	119.3	171.6	-61.6	-67.4	0	0	0	108.9	V53 F59 F65 K69 V73 V169	V53-Y55 HydrophobicContact CB-CE2 4.35Å; V53-Y55 HydrophobicContact CG1-CD1 4Å; V53-Y55 HydrophobicContact CG1-CD2 4.35Å; V53-Y55 HydrophobicContact CG1-CE1 3.58Å; V53-Y55 HydrophobicContact CG1-CE2 3.94Å; V53-Y55 HydrophobicContact CG1-CG 4.38Å; Y55-F59 AromaticContact CD1-CD1 3.47Å; Y55-F59 HydrophobicContact CD1-CD1 3.47Å; Y55-F59 VanDerWaalsContact CD1-CD1 3.47Å; Y55-F59 AromaticContact CD1-CE1 3.42Å; Y55-F59 HydrophobicContact CD1-CE1 3.42Å; Y55-F59 VanDerWaalsContact CD1-CE1 3.42Å; Y55-F59 HydrophobicContact CE1-CD1 4.35Å; Y55-F59 AromaticContact CE1-CE1 3.85Å; Y55-F59 HydrophobicContact CE1-CE1 3.85Å; Y55-F59 HydrophobicContact CG-CD1 4.15Å; Y55-F59 HydrophobicContact CG-CE1 4.37Å; Y55-F65 HydrophobicContact CD1-CE2 4.05Å; Y55-F65 HydrophobicContact CD2-CZ 4.37Å; Y55-F65 AromaticContact CG-CE2 3.9Å; Y55-F65 HydrophobicContact CG-CE2 3.9Å; Y55-F65 HydrophobicContact CG-CZ 4.17Å; Y55-K69 HydrophobicContact CE1-CD 4.22Å; Y55-K69 HydrophobicContact CE1-CG 4.03Å; Y55-K69 HydrophobicContact CE2-CD 3.9Å; Y55-K69 HydrophobicContact CE2-CG 4.39Å; Y55-K69 WeakPolarHBondContact OH-CG 3.27Å; Y55-V73 HydrophobicContact CE1-CG1 4.16Å; Y55-V169 HydrophobicContact CD1-CB 4.07Å; Y55-V169 HydrophobicContact CD1-CG1 4.35Å; Y55-V169 HydrophobicContact CE1-CB 4.38Å
56	T	95.6	Very high	93.5	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.018	30%	0.299	C	S	.	.			trans	-70.4	163.9	-176.6	70.8	0	0	0	0	111.3	G58 F59 Q60 E132 V169 D170	T56-G58 PolarHBondContact O-N 2.77Å; T56-G58 PolarHBondContact OG1-N 3.24Å; T56-F59 PolarHBondContact O-N 2.89Å; T56-F59 WeakPolarHBondContact OG1-CB 3.43Å; T56-F59 PolarHBondContact OG1-N 2.68Å; T56-Q60 VanDerWaalsContact O-CG 3.31Å; T56-Q60 WeakPolarHBondContact O-CG 3.39Å; T56-Q60 PolarHBondContact O-N 3.33Å; T56-E132 WeakPolarHBondContact CB-OE2 3.28Å; T56-E132 HydrophobicContact CG2-CB 4.49Å; T56-E132 HydrophobicContact CG2-CG 3.49Å; T56-E132 VanDerWaalsContact CG2-CG 3.49Å; T56-V169 WeakPolarHBondContact CG2-O 3.47Å; T56-V169 PolarHBondContact N-O 3.31Å; T56-V169 VanDerWaalsContact N-O 3.08Å; T56-V169 PolarHBondContact OG1-O 3.25Å; T56-D170 HydrophobicContact CG2-CB 3.79Å; T56-D170 WeakPolarHBondContact OG1-CA 3.35Å; T56-D170 PolarHBondContact OG1-OD1 2.92Å
57	S	93.9	Very high	94.1	Very high	66 Å²	66	54.4 Å²	54.4	46%	0.462	29%	0.287	S	S	.	.	H	α-helix	trans	-62.9	-31.5	172.2	73.6	0	0	0	0	112.5	K61	S57-K61 WeakPolarHBondContact O-CB 3.33Å; S57-K61 WeakPolarHBondContact O-CD 3.19Å; S57-K61 WeakPolarHBondContact O-CG 3.3Å; S57-K61 PolarHBondContact O-N 3.48Å; S57-K61 VanDerWaalsContact O-N 3.13Å
58	G	90.9	Very high	94.1	Very high	14 Å²	14	52.5 Å²	52.5	14%	0.144	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-46	174.5	0	0	0	0	0	111.9	T56 K61 T172	T56-G58 PolarHBondContact O-N 2.77Å; T56-G58 PolarHBondContact OG1-N 3.24Å; G58-K61 PolarHBondContact O-N 3.36Å; G58-T172 WeakPolarHBondContact CA-OG1 3.37Å
59	F	93.1	Very high	94	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.9	-43.8	176.3	-169.5	-117.3	0	0	0	112.9	Y55 T56 K61 N62 F65 I68 K69 V73 V169 D170 A171	Y55-F59 AromaticContact CD1-CD1 3.47Å; Y55-F59 HydrophobicContact CD1-CD1 3.47Å; Y55-F59 VanDerWaalsContact CD1-CD1 3.47Å; Y55-F59 AromaticContact CD1-CE1 3.42Å; Y55-F59 HydrophobicContact CD1-CE1 3.42Å; Y55-F59 VanDerWaalsContact CD1-CE1 3.42Å; Y55-F59 HydrophobicContact CE1-CD1 4.35Å; Y55-F59 AromaticContact CE1-CE1 3.85Å; Y55-F59 HydrophobicContact CE1-CE1 3.85Å; Y55-F59 HydrophobicContact CG-CD1 4.15Å; Y55-F59 HydrophobicContact CG-CE1 4.37Å; T56-F59 PolarHBondContact O-N 2.89Å; T56-F59 WeakPolarHBondContact OG1-CB 3.43Å; T56-F59 PolarHBondContact OG1-N 2.68Å; F59-K61 VanDerWaalsContact C-N 3.25Å; F59-K61 PolarHBondContact O-N 3.42Å; F59-N62 VanDerWaalsContact O-CB 3.22Å; F59-N62 WeakPolarHBondContact O-CB 3.43Å; F59-N62 PolarHBondContact O-N 2.84Å; F59-N62 VanDerWaalsContact O-N 3.09Å; F59-F65 AromaticContact CD1-CD2 3.33Å; F59-F65 HydrophobicContact CD1-CD2 3.33Å; F59-F65 AromaticContact CD1-CE2 3.31Å; F59-F65 HydrophobicContact CD1-CE2 3.31Å; F59-F65 AromaticContact CE1-CD2 3.36Å; F59-F65 HydrophobicContact CE1-CD2 3.36Å; F59-F65 AromaticContact CE1-CE2 3.38Å; F59-F65 HydrophobicContact CE1-CE2 3.38Å; F59-F65 HydrophobicContact CG-CD2 4.12Å; F59-F65 HydrophobicContact CG-CE2 4.41Å; F59-F65 HydrophobicContact CZ-CD2 4.19Å; F59-I68 HydrophobicContact CE2-CB 4.3Å; F59-I68 HydrophobicContact CE2-CG2 3.72Å; F59-I68 HydrophobicContact CZ-CB 4.09Å; F59-I68 HydrophobicContact CZ-CG2 3.71Å; F59-K69 HydrophobicContact CE1-CB 4.38Å; F59-V73 HydrophobicContact CZ-CG2 3.97Å; F59-V169 VanDerWaalsContact CB-O 3.3Å; F59-V169 WeakPolarHBondContact CB-O 3.42Å; F59-V169 HydrophobicContact CD1-CG1 4.16Å; F59-V169 HydrophobicContact CD2-CG1 4.23Å; F59-V169 HydrophobicContact CE1-CG1 4.07Å; F59-V169 HydrophobicContact CE2-CG1 4.14Å; F59-V169 HydrophobicContact CG-CG1 4.28Å; F59-V169 HydrophobicContact CZ-CG1 4.08Å; F59-D170 PolarHBondContact N-OD1 3.13Å; F59-A171 HydrophobicContact CD2-CB 3.6Å; F59-A171 HydrophobicContact CE2-CB 4.31Å
60	Q	94.7	Very high	94	Very high	111 Å²	111	54.7 Å²	54.7	52%	0.519	29%	0.287	S	S	.	.	H	α-helix	trans	-65.2	-26.7	179.8	-71.4	179.4	-51.4	0	0	113.6	T56 N62 F65	T56-Q60 VanDerWaalsContact O-CG 3.31Å; T56-Q60 WeakPolarHBondContact O-CG 3.39Å; T56-Q60 PolarHBondContact O-N 3.33Å; Q60-N62 VanDerWaalsContact C-N 3.26Å; Q60-N62 PolarHBondContact O-N 3.35Å; Q60-F65 HydrophobicContact CG-CD2 4.3Å; Q60-F65 HydrophobicContact CG-CE1 4.41Å; Q60-F65 HydrophobicContact CG-CE2 3.88Å; Q60-F65 HydrophobicContact CG-CZ 3.94Å
61	K	92.9	Very high	93.9	Very high	168 Å²	168	54.2 Å²	54.2	73%	0.73	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-14.4	175.3	-76	168.5	-174.8	172.6	0	113.2	S57 G58 F59 S63	S57-K61 WeakPolarHBondContact O-CB 3.33Å; S57-K61 WeakPolarHBondContact O-CD 3.19Å; S57-K61 WeakPolarHBondContact O-CG 3.3Å; S57-K61 PolarHBondContact O-N 3.48Å; S57-K61 VanDerWaalsContact O-N 3.13Å; G58-K61 PolarHBondContact O-N 3.36Å; F59-K61 VanDerWaalsContact C-N 3.25Å; F59-K61 PolarHBondContact O-N 3.42Å; K61-S63 PolarHBondContact O-N 2.87Å
62	N	88.1	Confident	93.7	Very high	29 Å²	29	53.6 Å²	53.6	16%	0.155	28%	0.283	C	S	.	.	S	Bend	trans	-65.4	128.5	176	-169.1	-53.1	0	0	0	109.6	F59 Q60 L64 F65	F59-N62 VanDerWaalsContact O-CB 3.22Å; F59-N62 WeakPolarHBondContact O-CB 3.43Å; F59-N62 PolarHBondContact O-N 2.84Å; F59-N62 VanDerWaalsContact O-N 3.09Å; Q60-N62 VanDerWaalsContact C-N 3.26Å; Q60-N62 PolarHBondContact O-N 3.35Å; N62-L64 PolarHBondContact O-N 2.85Å; N62-L64 WeakPolarHBondContact OD1-CB 3.32Å; N62-L64 PolarHBondContact OD1-N 3.46Å; N62-F65 WeakPolarHBondContact O-CB 3.29Å; N62-F65 PolarHBondContact O-N 3.47Å
63	S	88.9	Confident	93.7	Very high	120 Å²	120	52 Å²	52	84%	0.839	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-18.8	-178.8	57.8	0	0	0	0	113.6	K61	K61-S63 PolarHBondContact O-N 2.87Å
64	L	88.9	Confident	93.7	Very high	51 Å²	51	53.3 Å²	53.3	27%	0.267	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	12.4	178.1	-55.9	179.4	0	0	0	113.1	N62 E66 Q67 I68 I212	N62-L64 PolarHBondContact O-N 2.85Å; N62-L64 WeakPolarHBondContact OD1-CB 3.32Å; N62-L64 PolarHBondContact OD1-N 3.46Å; L64-E66 PolarHBondContact O-N 3.3Å; L64-Q67 WeakPolarHBondContact O-CA 3.48Å; L64-Q67 WeakPolarHBondContact O-CB 2.96Å; L64-Q67 PolarHBondContact O-N 3.07Å; L64-I68 HydrophobicContact CB-CD1 3.78Å; L64-I68 HydrophobicContact CB-CG1 4.08Å; L64-I68 WeakPolarHBondContact O-CG1 2.99Å; L64-I68 PolarHBondContact O-N 2.71Å; L64-I212 HydrophobicContact CB-CD1 4.49Å; L64-I212 HydrophobicContact CD1-CD1 3.75Å; L64-I212 HydrophobicContact CD1-CG1 3.82Å; L64-I212 HydrophobicContact CD1-CG2 4.39Å; L64-I212 HydrophobicContact CD2-CD1 3.63Å; L64-I212 HydrophobicContact CG-CD1 4.16Å
65	F	91.1	Very high	93.7	Very high	26 Å²	26	54.1 Å²	54.1	11%	0.114	28%	0.284	C	S	.	.	H	α-helix	trans	-42.7	-58.1	-175.1	165.8	-110.8	0	0	0	114	Y55 F59 Q60 N62 Q67 I68 K69	Y55-F65 HydrophobicContact CD1-CE2 4.05Å; Y55-F65 HydrophobicContact CD2-CZ 4.37Å; Y55-F65 AromaticContact CG-CE2 3.9Å; Y55-F65 HydrophobicContact CG-CE2 3.9Å; Y55-F65 HydrophobicContact CG-CZ 4.17Å; F59-F65 AromaticContact CD1-CD2 3.33Å; F59-F65 HydrophobicContact CD1-CD2 3.33Å; F59-F65 AromaticContact CD1-CE2 3.31Å; F59-F65 HydrophobicContact CD1-CE2 3.31Å; F59-F65 AromaticContact CE1-CD2 3.36Å; F59-F65 HydrophobicContact CE1-CD2 3.36Å; F59-F65 AromaticContact CE1-CE2 3.38Å; F59-F65 HydrophobicContact CE1-CE2 3.38Å; F59-F65 HydrophobicContact CG-CD2 4.12Å; F59-F65 HydrophobicContact CG-CE2 4.41Å; F59-F65 HydrophobicContact CZ-CD2 4.19Å; Q60-F65 HydrophobicContact CG-CD2 4.3Å; Q60-F65 HydrophobicContact CG-CE1 4.41Å; Q60-F65 HydrophobicContact CG-CE2 3.88Å; Q60-F65 HydrophobicContact CG-CZ 3.94Å; N62-F65 WeakPolarHBondContact O-CB 3.29Å; N62-F65 PolarHBondContact O-N 3.47Å; F65-Q67 VanDerWaalsContact C-N 3.27Å; F65-Q67 PolarHBondContact O-N 2.62Å; F65-I68 PolarHBondContact O-N 2.98Å; F65-K69 HydrophobicContact CE1-CD 4.42Å; F65-K69 HydrophobicContact CE2-CD 4.3Å; F65-K69 HydrophobicContact CZ-CD 3.92Å; F65-K69 WeakPolarHBondContact O-CB 3.31Å; F65-K69 PolarHBondContact O-N 3.38Å
66	E	94.5	Very high	93.7	Very high	101 Å²	101	52 Å²	52	47%	0.472	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-31.5	-177.4	-74.1	-61	161.4	0	0	112.6	L64 K69 T70	L64-E66 PolarHBondContact O-N 3.3Å; E66-K69 IonicContact OE1-NZ 3.87Å; E66-K69 IonicContact OE2-NZ 2.87Å; E66-K69 PolarHBondContact OE2-NZ 3.22Å; E66-K69 VanDerWaalsContact OE2-NZ 3.16Å; E66-T70 WeakPolarHBondContact O-CB 3.4Å; E66-T70 VanDerWaalsContact O-CG2 3.27Å; E66-T70 WeakPolarHBondContact O-CG2 3.13Å; E66-T70 PolarHBondContact O-N 3.17Å; E66-T70 PolarHBondContact O-OG1 2.95Å
67	Q	92.9	Very high	93.8	Very high	76 Å²	76	52 Å²	52	36%	0.355	28%	0.276	S	S	.	.	H	α-helix	trans	-73.5	-44.1	177.6	-64	-170.6	69.3	0	0	111.6	L64 F65 K69 T70 K71 I212	L64-Q67 WeakPolarHBondContact O-CA 3.48Å; L64-Q67 WeakPolarHBondContact O-CB 2.96Å; L64-Q67 PolarHBondContact O-N 3.07Å; F65-Q67 VanDerWaalsContact C-N 3.27Å; F65-Q67 PolarHBondContact O-N 2.62Å; Q67-K69 VanDerWaalsContact C-N 3.35Å; Q67-T70 PolarHBondContact O-N 2.87Å; Q67-T70 PolarHBondContact O-OG1 2.72Å; Q67-K71 WeakPolarHBondContact O-CB 3.4Å; Q67-K71 WeakPolarHBondContact O-CG 3.43Å; Q67-K71 PolarHBondContact O-N 2.98Å; Q67-I212 HydrophobicContact CB-CD1 4.27Å; Q67-I212 HydrophobicContact CB-CG2 4.23Å; Q67-I212 VanDerWaalsContact CD-CD1 3.47Å
68	I	93.2	Very high	94	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-44.7	177.3	-62.5	162.1	0	0	0	109.6	F59 L64 F65 T70 I72 V73 L210 I212	F59-I68 HydrophobicContact CE2-CB 4.3Å; F59-I68 HydrophobicContact CE2-CG2 3.72Å; F59-I68 HydrophobicContact CZ-CB 4.09Å; F59-I68 HydrophobicContact CZ-CG2 3.71Å; L64-I68 HydrophobicContact CB-CD1 3.78Å; L64-I68 HydrophobicContact CB-CG1 4.08Å; L64-I68 WeakPolarHBondContact O-CG1 2.99Å; L64-I68 PolarHBondContact O-N 2.71Å; F65-I68 PolarHBondContact O-N 2.98Å; I68-T70 PolarHBondContact O-N 3.48Å; I68-I72 HydrophobicContact CB-CD1 4.47Å; I68-I72 HydrophobicContact CG1-CD1 4.46Å; I68-I72 HydrophobicContact CG2-CB 4.33Å; I68-I72 HydrophobicContact CG2-CD1 4.03Å; I68-I72 WeakPolarHBondContact O-CA 3.48Å; I68-I72 VanDerWaalsContact O-CB 3.28Å; I68-I72 WeakPolarHBondContact O-CB 3.29Å; I68-I72 PolarHBondContact O-N 2.87Å; I68-V73 HydrophobicContact CG2-CG2 4.34Å; I68-V73 PolarHBondContact O-N 3.46Å; I68-L210 HydrophobicContact CD1-CB 4.38Å; I68-L210 HydrophobicContact CD1-CD1 4.08Å; I68-L210 HydrophobicContact CG2-CD2 4.3Å; I68-I212 HydrophobicContact CG1-CG2 3.88Å
69	K	95.4	Very high	94.4	Very high	45 Å²	45	54.9 Å²	54.9	20%	0.196	28%	0.278	C	S	.	.	I	π-helix	trans	-54.9	-52.7	175	173.9	177.4	161.4	-153.8	0	112.2	Y55 F59 F65 E66 Q67 V73 L74	Y55-K69 HydrophobicContact CE1-CD 4.22Å; Y55-K69 HydrophobicContact CE1-CG 4.03Å; Y55-K69 HydrophobicContact CE2-CD 3.9Å; Y55-K69 HydrophobicContact CE2-CG 4.39Å; Y55-K69 WeakPolarHBondContact OH-CG 3.27Å; F59-K69 HydrophobicContact CE1-CB 4.38Å; F65-K69 HydrophobicContact CE1-CD 4.42Å; F65-K69 HydrophobicContact CE2-CD 4.3Å; F65-K69 HydrophobicContact CZ-CD 3.92Å; F65-K69 WeakPolarHBondContact O-CB 3.31Å; F65-K69 PolarHBondContact O-N 3.38Å; E66-K69 IonicContact OE1-NZ 3.87Å; E66-K69 IonicContact OE2-NZ 2.87Å; E66-K69 PolarHBondContact OE2-NZ 3.22Å; E66-K69 VanDerWaalsContact OE2-NZ 3.16Å; Q67-K69 VanDerWaalsContact C-N 3.35Å; K69-V73 PolarHBondContact O-N 2.87Å; K69-L74 HydrophobicContact CG-CD1 4.38Å; K69-L74 HydrophobicContact CG-CG 4.43Å; K69-L74 WeakPolarHBondContact O-CG 3.29Å; K69-L74 PolarHBondContact O-N 3.01Å
70	T	96.3	Very high	94.7	Very high	73 Å²	73	54.9 Å²	54.9	45%	0.448	28%	0.278	S	S	.	.	I	π-helix	trans	-77.5	-36.5	-173.6	52.3	0	0	0	0	113.9	E66 Q67 I68 P75	E66-T70 WeakPolarHBondContact O-CB 3.4Å; E66-T70 VanDerWaalsContact O-CG2 3.27Å; E66-T70 WeakPolarHBondContact O-CG2 3.13Å; E66-T70 PolarHBondContact O-N 3.17Å; E66-T70 PolarHBondContact O-OG1 2.95Å; Q67-T70 PolarHBondContact O-N 2.87Å; Q67-T70 PolarHBondContact O-OG1 2.72Å; I68-T70 PolarHBondContact O-N 3.48Å; T70-P75 WeakPolarHBondContact O-CD 3.11Å
71	K	94.7	Very high	94.9	Very high	90 Å²	90	51 Å²	51	39%	0.391	26%	0.26	S	S	.	.	I	π-helix	trans	-92.7	-24.1	-175.2	-62.6	179.8	175	174.8	0	114.1	Q67 V217 I221	Q67-K71 WeakPolarHBondContact O-CB 3.4Å; Q67-K71 WeakPolarHBondContact O-CG 3.43Å; Q67-K71 PolarHBondContact O-N 2.98Å; K71-V217 HydrophobicContact CB-CG1 4.32Å; K71-I221 WeakPolarHBondContact O-CD1 3.32Å; K71-I221 WeakPolarHBondContact O-CG1 3.37Å
72	I	94.4	Very high	95.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	I	π-helix	trans	-118.2	-61	-173.3	-62.8	160.2	0	0	0	110.6	I68 S76 M205 S220 I221 F224	I68-I72 HydrophobicContact CB-CD1 4.47Å; I68-I72 HydrophobicContact CG1-CD1 4.46Å; I68-I72 HydrophobicContact CG2-CB 4.33Å; I68-I72 HydrophobicContact CG2-CD1 4.03Å; I68-I72 WeakPolarHBondContact O-CA 3.48Å; I68-I72 VanDerWaalsContact O-CB 3.28Å; I68-I72 WeakPolarHBondContact O-CB 3.29Å; I68-I72 PolarHBondContact O-N 2.87Å; I72-S76 WeakPolarHBondContact O-CB 3.16Å; I72-S76 PolarHBondContact O-N 2.84Å; I72-S76 PolarHBondContact O-OG 2.03Å; I72-M205 HydrophobicContact CG2-CE 4.32Å; I72-M205 HydrophobicContact CG2-SD 4.27Å; I72-S220 VanDerWaalsContact CD1-CB 3.44Å; I72-S220 WeakPolarHBondContact CG2-O 3.47Å; I72-I221 HydrophobicContact CB-CG1 4.5Å; I72-I221 HydrophobicContact CG1-CG1 4.4Å; I72-F224 HydrophobicContact CG2-CB 4Å
73	V	96.7	Very high	95.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.	I	π-helix	trans	-66.1	-54.6	-170.5	178.2	0	0	0	0	111.8	Y55 F59 I68 K69 S76 L77 V169 F224	Y55-V73 HydrophobicContact CE1-CG1 4.16Å; F59-V73 HydrophobicContact CZ-CG2 3.97Å; I68-V73 HydrophobicContact CG2-CG2 4.34Å; I68-V73 PolarHBondContact O-N 3.46Å; K69-V73 PolarHBondContact O-N 2.87Å; V73-S76 PolarHBondContact O-N 2.83Å; V73-L77 HydrophobicContact CG1-CD1 3.88Å; V73-L77 HydrophobicContact CG1-CG 4.29Å; V73-L77 WeakPolarHBondContact O-CG 3.43Å; V73-L77 PolarHBondContact O-N 3.08Å; V73-V169 HydrophobicContact CG1-CG1 4.38Å; V73-V169 HydrophobicContact CG1-CG2 4.16Å; V73-V169 HydrophobicContact CG2-CG1 3.99Å; V73-F224 HydrophobicContact CB-CZ 4.33Å; V73-F224 HydrophobicContact CG1-CE1 4.04Å; V73-F224 HydrophobicContact CG1-CE2 4.36Å; V73-F224 HydrophobicContact CG1-CZ 3.73Å; V73-F224 HydrophobicContact CG2-CD2 4.37Å; V73-F224 HydrophobicContact CG2-CE2 3.98Å; V73-F224 HydrophobicContact CG2-CZ 4.18Å
74	L	97.6	Very high	96.1	Very high	67 Å²	67	40.1 Å²	40.1	35%	0.351	20%	0.201	S	C	.	.	H	α-helix	trans	-62.6	-46.2	-176.2	-68.2	176.9	0	0	0	113.1	K69 S76 L77 M78	K69-L74 HydrophobicContact CG-CD1 4.38Å; K69-L74 HydrophobicContact CG-CG 4.43Å; K69-L74 WeakPolarHBondContact O-CG 3.29Å; K69-L74 PolarHBondContact O-N 3.01Å; L74-S76 VanDerWaalsContact C-N 3.29Å; L74-S76 PolarHBondContact O-N 2.86Å; L74-L77 PolarHBondContact O-N 2.82Å; L74-M78 WeakPolarHBondContact O-CB 3.21Å; L74-M78 VanDerWaalsContact O-CG 3.27Å; L74-M78 WeakPolarHBondContact O-CG 3.28Å; L74-M78 PolarHBondContact O-N 2.83Å
75	P	96.9	Very high	96.5	Very high	50 Å²	50	38.6 Å²	38.6	33%	0.325	19%	0.194	S	C	.	.	H	α-helix	trans	-58.4	-39.5	174.8	-27.8	37.4	0	0	0	113.4	T70 M78 Y79	T70-P75 WeakPolarHBondContact O-CD 3.11Å; P75-M78 PolarHBondContact O-N 2.88Å; P75-Y79 PolarHBondContact O-N 2.85Å
76	S	97.3	Very high	96.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68.5	-42.6	179.5	-55.5	0	0	0	0	112.3	I72 V73 L74 Y79 W80 I221	I72-S76 WeakPolarHBondContact O-CB 3.16Å; I72-S76 PolarHBondContact O-N 2.84Å; I72-S76 PolarHBondContact O-OG 2.03Å; V73-S76 PolarHBondContact O-N 2.83Å; L74-S76 VanDerWaalsContact C-N 3.29Å; L74-S76 PolarHBondContact O-N 2.86Å; S76-Y79 WeakPolarHBondContact O-CB 3.11Å; S76-Y79 PolarHBondContact O-N 3.04Å; S76-W80 PolarHBondContact O-N 2.85Å; S76-I221 PolarHBondContact OG-O 3.5Å
77	L	98.5	Very high	96.7	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-64.2	-42.6	173.8	-67.1	178.8	0	0	0	111	F51 V53 V73 L74 Y79 W80 E81 V167 F224 M228	F51-L77 HydrophobicContact CB-CD1 4.34Å; F51-L77 HydrophobicContact CB-CD2 4.44Å; F51-L77 HydrophobicContact CD1-CD2 4.14Å; F51-L77 HydrophobicContact CD2-CB 3.89Å; F51-L77 HydrophobicContact CD2-CD2 3.79Å; F51-L77 HydrophobicContact CD2-CG 4.32Å; F51-L77 HydrophobicContact CE1-CD2 4.37Å; F51-L77 HydrophobicContact CE2-CB 4.37Å; F51-L77 HydrophobicContact CE2-CD2 4.03Å; F51-L77 HydrophobicContact CG-CD2 3.86Å; F51-L77 HydrophobicContact CZ-CD2 4.31Å; V53-L77 HydrophobicContact CG2-CD1 3.39Å; V73-L77 HydrophobicContact CG1-CD1 3.88Å; V73-L77 HydrophobicContact CG1-CG 4.29Å; V73-L77 WeakPolarHBondContact O-CG 3.43Å; V73-L77 PolarHBondContact O-N 3.08Å; L74-L77 PolarHBondContact O-N 2.82Å; L77-Y79 VanDerWaalsContact C-N 3.28Å; L77-Y79 PolarHBondContact O-N 2.8Å; L77-W80 PolarHBondContact O-N 3.41Å; L77-W80 VanDerWaalsContact O-N 3.13Å; L77-E81 WeakPolarHBondContact O-CG 3.39Å; L77-E81 PolarHBondContact O-N 3.2Å; L77-V167 HydrophobicContact CD1-CG1 4.41Å; L77-V167 HydrophobicContact CD2-CG1 4.31Å; L77-F224 HydrophobicContact CD2-CE1 3.97Å; L77-F224 HydrophobicContact CG-CE1 4.14Å; L77-M228 HydrophobicContact CD2-CE 3.92Å; L77-M228 HydrophobicContact CD2-CG 4.1Å; L77-M228 HydrophobicContact CD2-SD 3.81Å
78	M	98.4	Very high	96.6	Very high	107 Å²	107	38.1 Å²	38.1	53%	0.527	19%	0.186	S	C	.	.	H	α-helix	trans	-59.8	-36.5	176.1	-75.8	177.1	61.6	0	0	112.6	L74 P75 E81 N82	L74-M78 WeakPolarHBondContact O-CB 3.21Å; L74-M78 VanDerWaalsContact O-CG 3.27Å; L74-M78 WeakPolarHBondContact O-CG 3.28Å; L74-M78 PolarHBondContact O-N 2.83Å; P75-M78 PolarHBondContact O-N 2.88Å; M78-E81 PolarHBondContact O-N 2.84Å; M78-N82 WeakPolarHBondContact O-CB 3.27Å; M78-N82 VanDerWaalsContact O-CG 3.26Å; M78-N82 PolarHBondContact O-N 2.91Å; M78-N82 PolarHBondContact O-ND2 2.69Å
79	Y	98.5	Very high	96.4	Very high	32 Å²	32	39.9 Å²	39.9	13%	0.125	20%	0.197	C	C	.	.	H	α-helix	trans	-56.3	-51.9	172.7	177.4	-89.8	0	0	0	110.9	P75 S76 L77 N82 T83 I225 V354 M374	P75-Y79 PolarHBondContact O-N 2.85Å; S76-Y79 WeakPolarHBondContact O-CB 3.11Å; S76-Y79 PolarHBondContact O-N 3.04Å; L77-Y79 VanDerWaalsContact C-N 3.28Å; L77-Y79 PolarHBondContact O-N 2.8Å; Y79-N82 PolarHBondContact O-N 2.95Å; Y79-T83 VanDerWaalsContact O-CB 3.31Å; Y79-T83 WeakPolarHBondContact O-CB 3.43Å; Y79-T83 PolarHBondContact O-N 2.93Å; Y79-T83 PolarHBondContact O-OG1 2.97Å; Y79-I225 HydrophobicContact CD1-CD1 4.37Å; Y79-I225 HydrophobicContact CD1-CG2 4.16Å; Y79-I225 HydrophobicContact CE1-CG2 4.42Å; Y79-I225 HydrophobicContact CG-CD1 4.16Å; Y79-V354 HydrophobicContact CE1-CB 4.21Å; Y79-V354 HydrophobicContact CE1-CG1 3.9Å; Y79-V354 HydrophobicContact CE1-CG2 3.92Å; Y79-V354 HydrophobicContact CE2-CG2 4.49Å; Y79-V354 VanDerWaalsContact OH-CB 3.25Å; Y79-V354 WeakPolarHBondContact OH-CB 3.12Å; Y79-V354 WeakPolarHBondContact OH-CG1 3.3Å; Y79-M374 HydrophobicContact CD2-CE 3.78Å; Y79-M374 HydrophobicContact CE2-CB 4.38Å; Y79-M374 HydrophobicContact CE2-CE 3.78Å; Y79-M374 PolarHBondContact OH-O 2.98Å
80	W	98.6	Very high	95.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67	-39.2	179.2	-73.4	117.6	0	0	0	112.9	F51 S76 L77 N82 T83 L84 I225 M228 A229 L232 L343 T358 L359 F362	F51-W80 HydrophobicContact CE2-CB 3.68Å; F51-W80 HydrophobicContact CZ-CB 3.85Å; S76-W80 PolarHBondContact O-N 2.85Å; L77-W80 PolarHBondContact O-N 3.41Å; L77-W80 VanDerWaalsContact O-N 3.13Å; W80-N82 VanDerWaalsContact C-N 3.28Å; W80-N82 PolarHBondContact O-N 3.23Å; W80-T83 PolarHBondContact O-N 2.83Å; W80-T83 VanDerWaalsContact O-N 3.15Å; W80-L84 HydrophobicContact CE3-CD1 3.62Å; W80-L84 HydrophobicContact CE3-CG 3.92Å; W80-L84 HydrophobicContact CZ3-CD1 4.08Å; W80-L84 HydrophobicContact CZ3-CG 4.38Å; W80-L84 PolarHBondContact O-N 2.8Å; W80-I225 HydrophobicContact CZ2-CG2 3.78Å; W80-I225 PolarHBondContact NE1-O 2.87Å; W80-I225 VanDerWaalsContact NE1-O 3.11Å; W80-M228 VanDerWaalsContact NE1-CB 3.32Å; W80-A229 HydrophobicContact CH2-CB 4.19Å; W80-A229 HydrophobicContact CZ2-CB 3.76Å; W80-L232 HydrophobicContact CB-CD1 4.29Å; W80-L232 HydrophobicContact CD2-CD1 3.61Å; W80-L232 HydrophobicContact CE3-CD1 3.89Å; W80-L232 HydrophobicContact CG-CD1 3.8Å; W80-L343 HydrophobicContact CZ2-CD2 4.2Å; W80-T358 HydrophobicContact CH2-CG2 4.35Å; W80-L359 HydrophobicContact CZ3-CD2 4.31Å; W80-F362 AromaticContact CH2-CD2 3.92Å; W80-F362 HydrophobicContact CH2-CD2 3.92Å; W80-F362 AromaticContact CH2-CE2 3.39Å; W80-F362 HydrophobicContact CH2-CE2 3.39Å; W80-F362 HydrophobicContact CH2-CZ 4.03Å; W80-F362 HydrophobicContact CZ2-CE2 4.35Å; W80-F362 AromaticContact CZ3-CD2 3.83Å; W80-F362 HydrophobicContact CZ3-CD2 3.83Å; W80-F362 AromaticContact CZ3-CE2 3.72Å; W80-F362 HydrophobicContact CZ3-CE2 3.72Å; W80-F362 HydrophobicContact CZ3-CZ 4.31Å
81	E	98.4	Very high	95.3	Very high	29 Å²	29	35.7 Å²	35.7	14%	0.136	18%	0.176	C	C	.	.	H	α-helix	trans	-60	-37.5	174.1	-68.3	-167	154	0	0	111.4	Q48 L49 K50 F51 L77 M78	Q48-E81 VanDerWaalsContact CD-O 3.28Å; Q48-E81 VanDerWaalsContact CG-O 3.28Å; Q48-E81 WeakPolarHBondContact CG-O 3.29Å; Q48-E81 PolarHBondContact NE2-O 2.94Å; L49-E81 WeakPolarHBondContact O-CG 3.43Å; K50-E81 WeakPolarHBondContact CD-OE1 3.38Å; K50-E81 VanDerWaalsContact CE-OE1 3.32Å; K50-E81 WeakPolarHBondContact CE-OE1 3.37Å; K50-E81 IonicContact NZ-OE1 3.21Å; K50-E81 PolarHBondContact NZ-OE1 3.16Å; K50-E81 IonicContact NZ-OE2 3.94Å; K50-E81 PolarHBondContact NZ-OE2 2.9Å; F51-E81 HydrophobicContact CD2-CG 3.45Å; F51-E81 VanDerWaalsContact CD2-CG 3.45Å; F51-E81 HydrophobicContact CE2-CG 3.78Å; F51-E81 PolarHBondContact N-OE1 3.34Å; L77-E81 WeakPolarHBondContact O-CG 3.39Å; L77-E81 PolarHBondContact O-N 3.2Å; M78-E81 PolarHBondContact O-N 2.84Å
82	N	98.4	Very high	94.9	Very high	89 Å²	89	34.9 Å²	34.9	48%	0.476	18%	0.176	S	C	.	.	H	α-helix	trans	-79.3	-20.3	177.4	-69.8	-28.2	0	0	0	113.4	M78 Y79 W80 M374	M78-N82 WeakPolarHBondContact O-CB 3.27Å; M78-N82 VanDerWaalsContact O-CG 3.26Å; M78-N82 PolarHBondContact O-N 2.91Å; M78-N82 PolarHBondContact O-ND2 2.69Å; Y79-N82 PolarHBondContact O-N 2.95Å; W80-N82 VanDerWaalsContact C-N 3.28Å; W80-N82 PolarHBondContact O-N 3.23Å; N82-M374 HydrophobicContact CB-CE 3.95Å; N82-M374 HydrophobicContact CB-SD 4.36Å
83	T	98.7	Very high	94.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-92.4	-36.4	-174.8	-58.4	0	0	0	0	112.4	Y79 W80 L359 V370 N371 M374	Y79-T83 VanDerWaalsContact O-CB 3.31Å; Y79-T83 WeakPolarHBondContact O-CB 3.43Å; Y79-T83 PolarHBondContact O-N 2.93Å; Y79-T83 PolarHBondContact O-OG1 2.97Å; W80-T83 PolarHBondContact O-N 2.83Å; W80-T83 VanDerWaalsContact O-N 3.15Å; T83-L359 HydrophobicContact CG2-CD1 4.1Å; T83-L359 HydrophobicContact CG2-CD2 3.54Å; T83-L359 HydrophobicContact CG2-CG 4.48Å; T83-V370 HydrophobicContact CG2-CG1 4.16Å; T83-V370 WeakPolarHBondContact O-CA 3.07Å; T83-N371 PolarHBondContact O-N 3.04Å; T83-M374 HydrophobicContact CG2-CB 4.05Å; T83-M374 HydrophobicContact CG2-CG 4.42Å; T83-M374 WeakPolarHBondContact OG1-CB 2.98Å; T83-M374 WeakPolarHBondContact OG1-CG 3.24Å
84	L	98.6	Very high	94.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.8	-171.1	-56.9	-179.1	0	0	0	112.5	Q48 L49 W80 L232 F362 Y368 V370	Q48-L84 PolarHBondContact NE2-O 3.2Å; L49-L84 HydrophobicContact CB-CB 4.21Å; L49-L84 WeakPolarHBondContact CB-O 3.35Å; L49-L84 HydrophobicContact CD2-CB 3.97Å; L49-L84 HydrophobicContact CD2-CD1 4.11Å; L49-L84 PolarHBondContact N-O 2.8Å; W80-L84 HydrophobicContact CE3-CD1 3.62Å; W80-L84 HydrophobicContact CE3-CG 3.92Å; W80-L84 HydrophobicContact CZ3-CD1 4.08Å; W80-L84 HydrophobicContact CZ3-CG 4.38Å; W80-L84 PolarHBondContact O-N 2.8Å; L84-L232 HydrophobicContact CD1-CD1 3.93Å; L84-F362 HydrophobicContact CD1-CD1 4.4Å; L84-F362 HydrophobicContact CD2-CB 4.02Å; L84-F362 HydrophobicContact CD2-CG 4.4Å; L84-Y368 HydrophobicContact CB-CD1 4.16Å; L84-Y368 HydrophobicContact CB-CG 4.4Å; L84-Y368 HydrophobicContact CD1-CD1 4.32Å; L84-Y368 HydrophobicContact CD1-CD2 4.31Å; L84-Y368 HydrophobicContact CD1-CE1 4.45Å; L84-Y368 HydrophobicContact CD1-CE2 4.42Å; L84-Y368 HydrophobicContact CD1-CG 4.26Å; L84-Y368 HydrophobicContact CD2-CG 4.29Å; L84-V370 HydrophobicContact CD2-CB 4.37Å; L84-V370 HydrophobicContact CD2-CG1 4.14Å; L84-V370 HydrophobicContact CD2-CG2 3.77Å
85	S	98	Very high	94.5	Very high	18 Å²	18	34.5 Å²	34.5	13%	0.126	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.7	166.3	-75.9	0	0	0	0	109.8	S47 Q48 K87 Y368 N369	S47-S85 CarbonylContact O-C 3.54Å; S47-S85 WeakPolarHBondContact O-CA 3.4Å; S47-S85 WeakPolarHBondContact O-CB 3.03Å; Q48-S85 WeakPolarHBondContact CA-OG 3.31Å; Q48-S85 PolarHBondContact NE2-OG 3.47Å; Q48-S85 PolarHBondContact OE1-OG 2.9Å; S85-K87 PolarHBondContact O-N 3.16Å; S85-Y368 CarbonylContact O-C 3.58Å; S85-Y368 WeakPolarHBondContact O-CA 3.5Å; S85-N369 PolarHBondContact N-O 3.4Å; S85-N369 PolarHBondContact O-N 3.07Å
86	V	96.4	Very high	94.4	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	122.8	177	178.5	0	0	0	0	110	S47 L49 V89 N163	S47-V86 WeakPolarHBondContact CB-O 3.5Å; S47-V86 PolarHBondContact O-N 2.93Å; L49-V86 HydrophobicContact CD1-CG2 4.05Å; V86-V89 HydrophobicContact CB-CG2 4.22Å; V86-V89 HydrophobicContact CG1-CG2 4.23Å; V86-V89 WeakPolarHBondContact O-CG2 3.33Å; V86-N163 HydrophobicContact CG2-CB 4.32Å
87	K	92.9	Very high	94.2	Very high	60 Å²	60	32.8 Å²	32.8	26%	0.261	16%	0.162	S	C	.	.	S	Bend	trans	-71.3	-47.4	-174.2	-169	170.5	-161.5	171.5	0	112.8	S85 E245 G366 W367	S85-K87 PolarHBondContact O-N 3.16Å; K87-E245 VanDerWaalsContact CE-O 3.31Å; K87-E245 WeakPolarHBondContact CE-O 3.34Å; K87-E245 PolarHBondContact NZ-O 3.24Å; K87-G366 WeakPolarHBondContact CD-O 3.03Å; K87-W367 VanDerWaalsContact CB-O 3.25Å; K87-W367 WeakPolarHBondContact CB-O 3.47Å; K87-W367 PolarHBondContact N-O 2.67Å
88	R	90.8	Very high	93.9	Very high	132 Å²	132	34.2 Å²	34.2	50%	0.498	17%	0.167	S	C	.	.	S	Bend	trans	-112.4	95.3	175.1	-71.5	-172.6	178.7	-171.8	0.1	109.1	T195 D246	R88-T195 HydrophobicContact CB-CG2 4.04Å; R88-D246 PolarHBondContact NH2-O 2.77Å
89	V	89.3	Confident	93.6	Very high	39 Å²	39	31.1 Å²	31.1	24%	0.236	15%	0.151	C	C	.	.			trans	-78	129.3	179.9	-171.8	0	0	0	0	109.8	P45 V86 P162	P45-V89 HydrophobicContact CB-CB 4.5Å; P45-V89 HydrophobicContact CB-CG1 3.89Å; P45-V89 HydrophobicContact CG-CB 4.41Å; P45-V89 HydrophobicContact CG-CG1 4.13Å; V86-V89 HydrophobicContact CB-CG2 4.22Å; V86-V89 HydrophobicContact CG1-CG2 4.23Å; V86-V89 WeakPolarHBondContact O-CG2 3.33Å; V89-P162 HydrophobicContact CG1-CB 3.42Å; V89-P162 VanDerWaalsContact CG1-CB 3.42Å
90	A	84.3	Confident	93.3	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.033	15%	0.151	C	C	.	.			trans	-60.3	155.7	175.8	0	0	0	0	0	112.3	D92 I94 P162	A90-D92 VanDerWaalsContact C-N 3.29Å; A90-D92 WeakPolarHBondContact CB-O 3.24Å; A90-I94 HydrophobicContact CB-CG1 4.4Å; A90-P162 HydrophobicContact CB-CB 4.07Å; A90-P162 VanDerWaalsContact O-CB 3.29Å; A90-P162 WeakPolarHBondContact O-CB 3.4Å
91	S	83.4	Confident	92.9	Very high	26 Å²	26	33.2 Å²	33.2	18%	0.182	17%	0.166	C	C	.	.	S	Bend	trans	-78.2	-16.3	178.3	70.1	0	0	0	0	114	C36 S38	C36-S91 PolarHBondContact O-OG 3.41Å; S38-S91 PolarHBondContact N-OG 2.72Å; S38-S91 WeakPolarHBondContact O-CB 3.14Å; S38-S91 PolarHBondContact O-OG 2.5Å; S38-S91 WeakPolarHBondContact OG-CB 3.45Å; S38-S91 PolarHBondContact OG-OG 3.1Å
92	D	87.3	Confident	92.3	Very high	72 Å²	72	37.5 Å²	37.5	39%	0.385	19%	0.19	S	C	.	.	S	Bend	trans	-145.8	167.4	-176.2	-163.7	4.5	0	0	0	109.2	A90	A90-D92 VanDerWaalsContact C-N 3.29Å; A90-D92 WeakPolarHBondContact CB-O 3.24Å
93	N	92.7	Very high	91.5	Very high	56 Å²	56	35.3 Å²	35.3	30%	0.299	19%	0.188	S	C	.	.			trans	-54.3	141.1	177.2	-73.7	-3.3	0	0	0	111.4	I95 S158 I160	N93-I95 HydrophobicContact CB-CD1 4.36Å; N93-S158 VanDerWaalsContact CB-O 3.29Å; N93-S158 WeakPolarHBondContact CB-O 3.21Å; N93-S158 PolarHBondContact ND2-O 2.83Å; N93-I160 CarbonylContact C-O 3.54Å; N93-I160 WeakPolarHBondContact CA-O 3.45Å; N93-I160 VanDerWaalsContact CB-O 3.22Å; N93-I160 WeakPolarHBondContact CB-O 3.24Å
94	I	92.6	Very high	90.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-78	124	176.7	-60.9	156.8	0	0	0	107.6	A33 A90 L96 G159 I160 P162 R197 V199	A33-I94 HydrophobicContact CB-CG2 3.94Å; A90-I94 HydrophobicContact CB-CG1 4.4Å; I94-L96 HydrophobicContact CG2-CD2 4.48Å; I94-G159 CarbonylContact O-C 3.33Å; I94-G159 WeakPolarHBondContact O-CA 3.3Å; I94-I160 HydrophobicContact CB-CD1 4.34Å; I94-I160 HydrophobicContact CB-CG1 3.75Å; I94-I160 HydrophobicContact CD1-CD1 4.49Å; I94-I160 HydrophobicContact CD1-CG1 4.4Å; I94-I160 HydrophobicContact CG2-CD1 4.47Å; I94-I160 HydrophobicContact CG2-CG1 4.3Å; I94-I160 PolarHBondContact N-O 3.34Å; I94-I160 PolarHBondContact O-N 2.67Å; I94-P162 WeakPolarHBondContact CD1-O 3.45Å; I94-R197 VanDerWaalsContact CD1-NH2 3.27Å; I94-V199 HydrophobicContact CD1-CG1 3.88Å; I94-V199 HydrophobicContact CG2-CB 4.33Å; I94-V199 HydrophobicContact CG2-CG1 4.27Å; I94-V199 HydrophobicContact CG2-CG2 4.24Å
95	I	94.1	Very high	90.3	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.015	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-106.7	120.7	177.9	-46.4	-53	0	0	0	108.4	T34 N93 N140 R156 G159	T34-I95 PolarHBondContact N-O 3.26Å; T34-I95 PolarHBondContact O-N 2.72Å; N93-I95 HydrophobicContact CB-CD1 4.36Å; I95-N140 HydrophobicContact CG2-CB 3.57Å; I95-N140 VanDerWaalsContact CG2-N 3.32Å; I95-R156 VanDerWaalsContact CG1-NH2 3.31Å; I95-G159 VanDerWaalsContact CD1-CA 3.47Å
96	L	94.4	Very high	89.7	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-72.1	143.8	178.1	-58.4	-174.4	0	0	0	110.3	A33 I94 I134 Y138 L139 N140 L166 Q190 V199 A200	A33-L96 HydrophobicContact CB-CD2 3.7Å; I94-L96 HydrophobicContact CG2-CD2 4.48Å; L96-I134 HydrophobicContact CD1-CD1 4.22Å; L96-I134 HydrophobicContact CD1-CG2 4Å; L96-Y138 WeakPolarHBondContact CB-O 3.27Å; L96-Y138 PolarHBondContact N-O 2.91Å; L96-L139 HydrophobicContact CB-CD2 4.05Å; L96-L139 CarbonylContact O-C 3.45Å; L96-L139 WeakPolarHBondContact O-CA 3.3Å; L96-N140 PolarHBondContact O-N 2.78Å; L96-L166 HydrophobicContact CD1-CD2 3.58Å; L96-Q190 HydrophobicContact CD2-CB 4.26Å; L96-V199 HydrophobicContact CD2-CG2 3.89Å; L96-A200 HydrophobicContact CD1-CB 3.9Å; L96-A200 HydrophobicContact CD2-CB 4.22Å
97	E	93.2	Very high	89.2	Confident	14 Å²	14	45.6 Å²	45.6	7%	0.065	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-89.3	153.5	-179	-66.3	-57.8	150.2	0	0	111.9	I31 H32 T34 N140 K143 Q190	I31-E97 HydrophobicContact CG2-CB 3.91Å; H32-E97 WeakPolarHBondContact O-CG 3.48Å; T34-E97 WeakPolarHBondContact CB-OE1 3.42Å; T34-E97 PolarHBondContact OG1-OE1 3.22Å; E97-N140 PolarHBondContact OE1-ND2 2.92Å; E97-K143 VanDerWaalsContact CD-NZ 3.25Å; E97-K143 WeakPolarHBondContact OE1-CE 3.12Å; E97-K143 IonicContact OE1-NZ 2.72Å; E97-K143 PolarHBondContact OE1-NZ 2.79Å; E97-K143 WeakPolarHBondContact OE2-CD 3.38Å; E97-K143 VanDerWaalsContact OE2-CE 3.27Å; E97-K143 WeakPolarHBondContact OE2-CE 3.37Å; E97-K143 IonicContact OE2-NZ 3.3Å; E97-K143 PolarHBondContact OE2-NZ 3.36Å; E97-Q190 PolarHBondContact O-NE2 3.18Å
98	R	93.7	Very high	88.8	Confident	36 Å²	36	44 Å²	44	14%	0.136	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-76.4	146.4	174	-66.5	-171	-179.1	-92.8	-7.2	111.1	C123 T127 D136 N140	R98-C123 HydrophobicContact CB-CB 3.91Å; R98-T127 VanDerWaalsContact CA-OG1 3.24Å; R98-T127 WeakPolarHBondContact CA-OG1 3.33Å; R98-T127 WeakPolarHBondContact CB-OG1 3.2Å; R98-D136 IonicContact CZ-OD1 2.99Å; R98-D136 IonicContact NH1-OD1 3.78Å; R98-D136 PolarHBondContact NH1-OD1 2.9Å; R98-D136 IonicContact NH2-OD1 3.1Å; R98-D136 PolarHBondContact NH2-OD1 3.4Å; R98-N140 PolarHBondContact NE-O 2.94Å
99	Q	91.6	Very high	88.4	Confident	41 Å²	41	43.7 Å²	43.7	19%	0.192	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-65.7	136	171.6	-89.2	167.5	-26.9	0	0	110.3	I31 C123 E124 T127 R128	I31-Q99 HydrophobicContact CD1-CB 4.44Å; I31-Q99 HydrophobicContact CD1-CG 3.34Å; Q99-C123 CarbonylContact O-C 3.28Å; Q99-C123 VanDerWaalsContact O-CA 3.22Å; Q99-C123 WeakPolarHBondContact O-CA 3.21Å; Q99-C123 VanDerWaalsContact O-CB 3.3Å; Q99-C123 WeakPolarHBondContact O-CB 3.25Å; Q99-E124 HydrophobicContact CB-CB 4.06Å; Q99-E124 HydrophobicContact CB-CG 3.87Å; Q99-E124 PolarHBondContact O-N 2.76Å; Q99-T127 HydrophobicContact CB-CG2 4.21Å; Q99-T127 HydrophobicContact CG-CG2 4.01Å; Q99-T127 PolarHBondContact N-OG1 3.42Å; Q99-R128 PolarHBondContact NE2-O 2.96Å
100	C	91.4	Very high	88	Confident	17 Å²	17	45.2 Å²	45.2	12%	0.115	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-83.2	144.4	175.3	-59.3	0	0	0	0	111.4	D102 G103 T105 C119	C100-D102 PolarHBondContact O-N 3.15Å; C100-G103 PolarHBondContact O-N 3.28Å; C100-T105 HydrophobicContact CB-CG2 4.17Å; C100-T105 WeakPolarHBondContact SG-CG2 3.22Å; C100-C119 WeakPolarHBondContact CA-SG 3.17Å; C100-C119 HydrophobicContact CB-CB 3.56Å; C100-C119 WeakPolarHBondContact CB-SG 3.22Å; C100-C119 WeakPolarHBondContact SG-CA 3.31Å; C100-C119 WeakPolarHBondContact SG-CB 3.47Å; C100-C119 CovalentContact SG-SG 2.03Å; C100-C119 PolarHBondContact SG-SG 3.03Å
101	L	91.4	Very high	87.7	Confident	60 Å²	60	51.6 Å²	51.6	31%	0.314	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-55.7	133.5	172.6	-67.7	-174.1	0	0	0	110.5	G103 Q104 K121 G122 E124	L101-G103 PolarHBondContact O-N 2.83Å; L101-Q104 PolarHBondContact O-N 3.12Å; L101-K121 HydrophobicContact CB-CB 4.13Å; L101-K121 VanDerWaalsContact CD1-O 3.31Å; L101-K121 WeakPolarHBondContact CD1-O 3.45Å; L101-G122 PolarHBondContact N-O 3.31Å; L101-E124 VanDerWaalsContact CD2-CD 3.46Å; L101-E124 HydrophobicContact CD2-CG 4.17Å; L101-E124 WeakPolarHBondContact CD2-OE2 3.4Å
102	D	85.2	Confident	87.3	Confident	119 Å²	119	56.1 Å²	56.1	64%	0.636	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	55	17.2	-177	-52.3	-38.6	0	0	0	114.1	C100 Q104 K121	C100-D102 PolarHBondContact O-N 3.15Å; D102-Q104 HydrophobicContact CB-CG 4.14Å; D102-Q104 PolarHBondContact O-N 3.39Å; D102-K121 IonicContact OD2-NZ 3.55Å; D102-K121 PolarHBondContact OD2-NZ 2.65Å
103	G	81.8	Confident	86.5	Confident	43 Å²	43	55 Å²	55	44%	0.443	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	66.3	11.1	-173.3	0	0	0	0	0	114.8	C100 L101 T105	C100-G103 PolarHBondContact O-N 3.28Å; L101-G103 PolarHBondContact O-N 2.83Å; G103-T105 PolarHBondContact O-N 3.08Å; G103-T105 VanDerWaalsContact O-N 3.15Å
104	Q	84.5	Confident	85.8	Confident	79 Å²	79	55.7 Å²	55.7	37%	0.369	31%	0.314	S	S	.	.			trans	-76.6	106	-175.1	-68.8	-166	-2.6	0	0	112.2	L101 D102 N120 K121	L101-Q104 PolarHBondContact O-N 3.12Å; D102-Q104 HydrophobicContact CB-CG 4.14Å; D102-Q104 PolarHBondContact O-N 3.39Å; Q104-N120 HydrophobicContact CB-CB 4.24Å; Q104-N120 PolarHBondContact O-N 3.28Å; Q104-N120 VanDerWaalsContact O-N 3.08Å; Q104-K121 VanDerWaalsContact NE2-NZ 3.11Å
105	T	86.9	Confident	85.3	Confident	56 Å²	56	56.8 Å²	56.8	34%	0.344	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	149.5	-179.6	50.3	0	0	0	0	111.9	C100 G103 I117 Y118 N120	C100-T105 HydrophobicContact CB-CG2 4.17Å; C100-T105 WeakPolarHBondContact SG-CG2 3.22Å; G103-T105 PolarHBondContact O-N 3.08Å; G103-T105 VanDerWaalsContact O-N 3.15Å; T105-I117 HydrophobicContact CG2-CG2 4.14Å; T105-Y118 CarbonylContact C-O 3.48Å; T105-Y118 VanDerWaalsContact CA-O 3.3Å; T105-Y118 WeakPolarHBondContact CA-O 3.45Å; T105-N120 PolarHBondContact O-ND2 2.83Å
106	S	86.7	Confident	84.7	Confident	38 Å²	38	57.1 Å²	57.1	27%	0.266	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.8	165.7	-82.4	0	0	0	0	110.8	Y118 N120	S106-Y118 PolarHBondContact N-O 3.43Å; S106-Y118 PolarHBondContact O-N 2.96Å; S106-N120 WeakPolarHBondContact CB-OD1 3.22Å; S106-N120 PolarHBondContact N-OD1 3.13Å; S106-N120 PolarHBondContact OG-ND2 3.37Å; S106-N120 VanDerWaalsContact OG-ND2 3.08Å; S106-N120 PolarHBondContact OG-OD1 2.68Å
107	Y	85.6	Confident	84.3	Confident	63 Å²	63	58.7 Å²	58.7	25%	0.247	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.3	174.4	-67.5	-92.3	0	0	0	108.1	L115 I117 T257 L259	Y107-L115 HydrophobicContact CD1-CD2 4.27Å; Y107-I117 HydrophobicContact CD1-CD1 4.39Å; Y107-I117 HydrophobicContact CD1-CG1 3.89Å; Y107-I117 HydrophobicContact CE1-CD1 3.79Å; Y107-I117 HydrophobicContact CE1-CG1 3.75Å; Y107-I117 HydrophobicContact CE1-CG2 4.48Å; Y107-T257 HydrophobicContact CD1-CG2 4.49Å; Y107-T257 HydrophobicContact CD2-CG2 3.96Å; Y107-T257 HydrophobicContact CG-CG2 3.88Å; Y107-L259 HydrophobicContact CE1-CD1 4.05Å; Y107-L259 HydrophobicContact CE1-CG 4.25Å; Y107-L259 HydrophobicContact CE2-CD1 3.99Å; Y107-L259 WeakPolarHBondContact OH-CD1 3.4Å
108	V	84.8	Confident	84.2	Confident	25 Å²	25	59.2 Å²	59.2	15%	0.152	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113.7	-177.2	-176.9	0	0	0	0	109.1	W110 G116 Y118 F145	V108-W110 HydrophobicContact CB-CZ2 4.36Å; V108-W110 HydrophobicContact CG1-CD2 4.26Å; V108-W110 HydrophobicContact CG1-CE3 4.49Å; V108-W110 HydrophobicContact CG1-CH2 3.92Å; V108-W110 HydrophobicContact CG1-CZ2 3.69Å; V108-W110 HydrophobicContact CG1-CZ3 4.34Å; V108-G116 PolarHBondContact N-O 3.18Å; V108-G116 PolarHBondContact O-N 3.49Å; V108-Y118 HydrophobicContact CB-CD2 4.11Å; V108-Y118 HydrophobicContact CB-CE2 3.95Å; V108-Y118 HydrophobicContact CG2-CD2 3.85Å; V108-Y118 HydrophobicContact CG2-CE2 4.17Å; V108-F145 HydrophobicContact CB-CE2 4.43Å; V108-F145 HydrophobicContact CG1-CE2 4.07Å; V108-F145 HydrophobicContact CG1-CZ 4.35Å; V108-F145 HydrophobicContact CG2-CD2 3.89Å; V108-F145 HydrophobicContact CG2-CE1 4.44Å; V108-F145 HydrophobicContact CG2-CE2 3.72Å; V108-F145 HydrophobicContact CG2-CG 4.33Å; V108-F145 HydrophobicContact CG2-CZ 4.01Å
109	K	82.1	Confident	84.1	Confident	126 Å²	126	57.7 Å²	57.7	55%	0.548	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	112.5	174.2	-168.4	173.5	-171.4	169.1	0	109.7	L115 P255	K109-L115 HydrophobicContact CB-CD1 4.4Å; K109-P255 PolarHBondContact NZ-O 2.68Å
110	W	79.2	Confident	84	Confident	72 Å²	72	59 Å²	59	27%	0.273	34%	0.336	S	S	.	.			trans	-76.5	155.9	178.2	-64.5	108.1	0	0	0	111.6	V108 N112 G113 T114 Y118 F145 P150	V108-W110 HydrophobicContact CB-CZ2 4.36Å; V108-W110 HydrophobicContact CG1-CD2 4.26Å; V108-W110 HydrophobicContact CG1-CE3 4.49Å; V108-W110 HydrophobicContact CG1-CH2 3.92Å; V108-W110 HydrophobicContact CG1-CZ2 3.69Å; V108-W110 HydrophobicContact CG1-CZ3 4.34Å; W110-N112 VanDerWaalsContact CB-OD1 3.3Å; W110-N112 WeakPolarHBondContact CB-OD1 3.46Å; W110-N112 PolarHBondContact O-N 3.44Å; W110-N112 VanDerWaalsContact O-N 3.08Å; W110-G113 WeakPolarHBondContact O-CA 3.49Å; W110-G113 PolarHBondContact O-N 3.24Å; W110-T114 WeakPolarHBondContact CB-O 3.31Å; W110-T114 VanDerWaalsContact CD1-O 3.28Å; W110-T114 PolarHBondContact N-O 2.76Å; W110-Y118 HydrophobicContact CZ2-CE2 4.12Å; W110-Y118 PolarHBondContact NE1-OH 3.15Å; W110-Y118 VanDerWaalsContact NE1-OH 3.15Å; W110-F145 HydrophobicContact CH2-CE2 4.03Å; W110-F145 HydrophobicContact CZ2-CE2 4.32Å; W110-P150 HydrophobicContact CH2-CB 4.34Å; W110-P150 HydrophobicContact CH2-CG 3.68Å; W110-P150 HydrophobicContact CZ2-CB 3.88Å; W110-P150 HydrophobicContact CZ2-CG 3.57Å
111	P	78.7	Confident	84	Confident	137 Å²	137	63 Å²	63	89%	0.89	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-26.1	179.5	-27.4	35.2	0	0	0	114.5	G113	P111-G113 PolarHBondContact O-N 2.91Å
112	N	76.1	Confident	84	Confident	122 Å²	122	60.5 Å²	60.5	65%	0.652	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	4.5	174.3	69.9	-1.4	0	0	0	113.5	W110 T114	W110-N112 VanDerWaalsContact CB-OD1 3.3Å; W110-N112 WeakPolarHBondContact CB-OD1 3.46Å; W110-N112 PolarHBondContact O-N 3.44Å; W110-N112 VanDerWaalsContact O-N 3.08Å; N112-T114 VanDerWaalsContact C-N 3.3Å; N112-T114 VanDerWaalsContact CG-OG1 3.26Å; N112-T114 PolarHBondContact ND2-OG1 3.08Å; N112-T114 PolarHBondContact O-N 3.05Å; N112-T114 WeakPolarHBondContact OD1-CB 3.31Å; N112-T114 PolarHBondContact OD1-N 3.41Å; N112-T114 PolarHBondContact OD1-OG1 3.29Å
113	G	70.2	Confident	84.4	Confident	48 Å²	48	55.7 Å²	55.7	50%	0.495	32%	0.315	S	S	.	.	S	Bend	trans	83.3	-4.7	-177.7	0	0	0	0	0	114.9	W110 P111 L115	W110-G113 WeakPolarHBondContact O-CA 3.49Å; W110-G113 PolarHBondContact O-N 3.24Å; P111-G113 PolarHBondContact O-N 2.91Å; G113-L115 PolarHBondContact O-N 3.08Å
114	T	77.1	Confident	84.9	Confident	71 Å²	71	57.1 Å²	57.1	44%	0.436	31%	0.311	S	S	.	.			trans	-71	130.3	179.8	-52.6	0	0	0	0	109.6	W110 N112	W110-T114 WeakPolarHBondContact CB-O 3.31Å; W110-T114 VanDerWaalsContact CD1-O 3.28Å; W110-T114 PolarHBondContact N-O 2.76Å; N112-T114 VanDerWaalsContact C-N 3.3Å; N112-T114 VanDerWaalsContact CG-OG1 3.26Å; N112-T114 PolarHBondContact ND2-OG1 3.08Å; N112-T114 PolarHBondContact O-N 3.05Å; N112-T114 WeakPolarHBondContact OD1-CB 3.31Å; N112-T114 PolarHBondContact OD1-N 3.41Å; N112-T114 PolarHBondContact OD1-OG1 3.29Å
115	L	81.6	Confident	85.3	Confident	22 Å²	22	60.9 Å²	60.9	12%	0.115	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.3	172	-178.7	66.2	0	0	0	109.2	Y107 K109 G113 F193 Q256 T257 N258	Y107-L115 HydrophobicContact CD1-CD2 4.27Å; K109-L115 HydrophobicContact CB-CD1 4.4Å; G113-L115 PolarHBondContact O-N 3.08Å; L115-F193 HydrophobicContact CB-CE2 4.33Å; L115-F193 HydrophobicContact CB-CZ 3.9Å; L115-F193 HydrophobicContact CD2-CE2 4.07Å; L115-F193 HydrophobicContact CD2-CZ 4.29Å; L115-F193 HydrophobicContact CG-CE2 4.41Å; L115-F193 HydrophobicContact CG-CZ 4.46Å; L115-Q256 WeakPolarHBondContact CD1-O 3.42Å; L115-T257 WeakPolarHBondContact CD2-O 3.46Å; L115-N258 HydrophobicContact CD2-CB 3.63Å
116	G	82.4	Confident	85.6	Confident	10 Å²	10	62.2 Å²	62.2	10%	0.103	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	144.2	170.9	0	0	0	0	0	111.1	V108	V108-G116 PolarHBondContact N-O 3.18Å; V108-G116 PolarHBondContact O-N 3.49Å
117	I	86.7	Confident	85.9	Confident	33 Å²	33	60.5 Å²	60.5	17%	0.169	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.5	173.1	-52.3	174.1	0	0	0	107	H32 T105 Y107	H32-I117 HydrophobicContact CB-CD1 3.83Å; T105-I117 HydrophobicContact CG2-CG2 4.14Å; Y107-I117 HydrophobicContact CD1-CD1 4.39Å; Y107-I117 HydrophobicContact CD1-CG1 3.89Å; Y107-I117 HydrophobicContact CE1-CD1 3.79Å; Y107-I117 HydrophobicContact CE1-CG1 3.75Å; Y107-I117 HydrophobicContact CE1-CG2 4.48Å
118	Y	90.4	Very high	86.3	Confident	25 Å²	25	61.7 Å²	61.7	10%	0.098	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.5	-175.4	-59.6	-88.7	0	0	0	110.5	T105 S106 V108 W110 K143 F145 P150	T105-Y118 CarbonylContact C-O 3.48Å; T105-Y118 VanDerWaalsContact CA-O 3.3Å; T105-Y118 WeakPolarHBondContact CA-O 3.45Å; S106-Y118 PolarHBondContact N-O 3.43Å; S106-Y118 PolarHBondContact O-N 2.96Å; V108-Y118 HydrophobicContact CB-CD2 4.11Å; V108-Y118 HydrophobicContact CB-CE2 3.95Å; V108-Y118 HydrophobicContact CG2-CD2 3.85Å; V108-Y118 HydrophobicContact CG2-CE2 4.17Å; W110-Y118 HydrophobicContact CZ2-CE2 4.12Å; W110-Y118 PolarHBondContact NE1-OH 3.15Å; W110-Y118 VanDerWaalsContact NE1-OH 3.15Å; Y118-K143 HydrophobicContact CD1-CB 3.87Å; Y118-K143 HydrophobicContact CE1-CB 4.38Å; Y118-F145 HydrophobicContact CD2-CD2 4.34Å; Y118-F145 HydrophobicContact CG-CB 4.26Å; Y118-F145 HydrophobicContact CG-CD2 4.37Å; Y118-P150 HydrophobicContact CD1-CB 4.13Å; Y118-P150 HydrophobicContact CE1-CB 3.33Å
119	C	91.9	Very high	86.6	Confident	5 Å²	5	60.5 Å²	60.5	3%	0.034	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	132.7	172.4	-55.9	0	0	0	0	110.7	C100 G122 C123 K143 E144 F145	C100-C119 WeakPolarHBondContact CA-SG 3.17Å; C100-C119 HydrophobicContact CB-CB 3.56Å; C100-C119 WeakPolarHBondContact CB-SG 3.22Å; C100-C119 WeakPolarHBondContact SG-CA 3.31Å; C100-C119 WeakPolarHBondContact SG-CB 3.47Å; C100-C119 CovalentContact SG-SG 2.03Å; C100-C119 PolarHBondContact SG-SG 3.03Å; C119-G122 VanDerWaalsContact CB-O 3.24Å; C119-G122 WeakPolarHBondContact CB-O 3.4Å; C119-C123 PolarHBondContact SG-SG 3.38Å; C119-K143 WeakPolarHBondContact CB-O 3.04Å; C119-K143 PolarHBondContact N-O 3.38Å; C119-E144 WeakPolarHBondContact O-CA 3.37Å; C119-F145 PolarHBondContact O-N 2.96Å
120	N	89.9	Confident	86.8	Confident	68 Å²	68	57.4 Å²	57.4	36%	0.364	31%	0.309	S	S	.	.	S	Bend	trans	-80.3	-28.6	-176.5	-66.7	-14	0	0	0	112.9	Q104 T105 S106	Q104-N120 HydrophobicContact CB-CB 4.24Å; Q104-N120 PolarHBondContact O-N 3.28Å; Q104-N120 VanDerWaalsContact O-N 3.08Å; T105-N120 PolarHBondContact O-ND2 2.83Å; S106-N120 WeakPolarHBondContact CB-OD1 3.22Å; S106-N120 PolarHBondContact N-OD1 3.13Å; S106-N120 PolarHBondContact OG-ND2 3.37Å; S106-N120 VanDerWaalsContact OG-ND2 3.08Å; S106-N120 PolarHBondContact OG-OD1 2.68Å
121	K	90.1	Very high	87.1	Confident	102 Å²	102	57.4 Å²	57.4	44%	0.443	32%	0.317	S	S	.	.	S	Bend	trans	-116.1	9.1	-174.8	-71.7	176.2	167.2	172	0	113.2	L101 D102 Q104	L101-K121 HydrophobicContact CB-CB 4.13Å; L101-K121 VanDerWaalsContact CD1-O 3.31Å; L101-K121 WeakPolarHBondContact CD1-O 3.45Å; D102-K121 IonicContact OD2-NZ 3.55Å; D102-K121 PolarHBondContact OD2-NZ 2.65Å; Q104-K121 VanDerWaalsContact NE2-NZ 3.11Å
122	G	92.5	Very high	87.7	Confident	6 Å²	6	52.4 Å²	52.4	6%	0.062	28%	0.282	C	S	.	.			trans	92.1	179.3	-166.7	0	0	0	0	0	113.1	L101 C119 E144	L101-G122 PolarHBondContact N-O 3.31Å; C119-G122 VanDerWaalsContact CB-O 3.24Å; C119-G122 WeakPolarHBondContact CB-O 3.4Å; G122-E144 WeakPolarHBondContact CA-OE2 3.4Å
123	C	93.7	Very high	88.6	Confident	18 Å²	18	49.7 Å²	49.7	12%	0.122	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-103.6	154.7	-177.7	-52.9	0	0	0	0	111.9	R98 Q99 C119 C142	R98-C123 HydrophobicContact CB-CB 3.91Å; Q99-C123 CarbonylContact O-C 3.28Å; Q99-C123 VanDerWaalsContact O-CA 3.22Å; Q99-C123 WeakPolarHBondContact O-CA 3.21Å; Q99-C123 VanDerWaalsContact O-CB 3.3Å; Q99-C123 WeakPolarHBondContact O-CB 3.25Å; C119-C123 PolarHBondContact SG-SG 3.38Å; C123-C142 HydrophobicContact CB-CB 3.75Å; C123-C142 WeakPolarHBondContact CB-SG 3.25Å; C123-C142 PolarHBondContact N-SG 3.27Å; C123-C142 WeakPolarHBondContact SG-CA 3.43Å; C123-C142 WeakPolarHBondContact SG-CB 3.17Å; C123-C142 CovalentContact SG-SG 2.03Å; C123-C142 PolarHBondContact SG-SG 3.01Å
124	E	92.8	Very high	89.8	Confident	73 Å²	73	47.7 Å²	47.7	34%	0.341	25%	0.249	S	C	.	.			trans	-57.2	138.9	166.9	-66.4	-65.5	166.2	0	0	110.5	Q99 L101 I126	Q99-E124 HydrophobicContact CB-CB 4.06Å; Q99-E124 HydrophobicContact CB-CG 3.87Å; Q99-E124 PolarHBondContact O-N 2.76Å; L101-E124 VanDerWaalsContact CD2-CD 3.46Å; L101-E124 HydrophobicContact CD2-CG 4.17Å; L101-E124 WeakPolarHBondContact CD2-OE2 3.4Å; E124-I126 PolarHBondContact O-N 3.35Å
125	N	92.2	Very high	90.7	Very high	158 Å²	158	46.4 Å²	46.4	85%	0.845	24%	0.241	S	C	*	.	S	Bend	trans	-57.8	-33	176.1	-73.6	-28.3	0	0	0	111.8
126	I	92.9	Very high	91.3	Very high	85 Å²	85	49.6 Å²	49.6	44%	0.436	26%	0.258	S	S	.	.	S	Bend	trans	-128.1	115.9	178.1	-55.8	174	0	0	0	108.4	E124 R128 P133	E124-I126 PolarHBondContact O-N 3.35Å; I126-R128 HydrophobicContact CG2-CG 4.16Å; I126-P133 HydrophobicContact CG2-CB 3.72Å; I126-P133 HydrophobicContact CG2-CG 4.44Å
127	T	93.7	Very high	92	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	27%	0.271	C	S	.	.			trans	-84.4	131.1	170.8	-61.1	0	0	0	0	109.6	R98 Q99 I134 L139	R98-T127 VanDerWaalsContact CA-OG1 3.24Å; R98-T127 WeakPolarHBondContact CA-OG1 3.33Å; R98-T127 WeakPolarHBondContact CB-OG1 3.2Å; Q99-T127 HydrophobicContact CB-CG2 4.21Å; Q99-T127 HydrophobicContact CG-CG2 4.01Å; Q99-T127 PolarHBondContact N-OG1 3.42Å; T127-I134 HydrophobicContact CG2-CD1 4.1Å; T127-I134 PolarHBondContact O-N 3.07Å; T127-L139 HydrophobicContact CG2-CD2 3.92Å
128	R	92.7	Very high	92.4	Very high	88 Å²	88	52.6 Å²	52.6	33%	0.332	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147.4	-175.4	-52.6	-167.7	173.6	-65.7	-2.4	113.5	Q99 I126 F130 E132 P133	Q99-R128 PolarHBondContact NE2-O 2.96Å; I126-R128 HydrophobicContact CG2-CG 4.16Å; R128-F130 VanDerWaalsContact CB-O 3.28Å; R128-F130 WeakPolarHBondContact CB-O 3.41Å; R128-E132 CarbonylContact C-O 3.59Å; R128-E132 WeakPolarHBondContact CA-O 3.41Å; R128-E132 WeakPolarHBondContact CB-O 3.39Å; R128-P133 VanDerWaalsContact NH1-CD 3.31Å; R128-P133 VanDerWaalsContact NH1-CG 3.27Å
129	C	91.7	Very high	92.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	100.1	160.3	-179.6	0	0	0	0	106.2	T131 E132 I134 F168 C189	C129-T131 PolarHBondContact O-N 3.01Å; C129-E132 PolarHBondContact N-O 3.2Å; C129-E132 PolarHBondContact O-N 3.3Å; C129-E132 VanDerWaalsContact O-N 3.1Å; C129-I134 HydrophobicContact CB-CD1 4.1Å; C129-I134 HydrophobicContact CB-CG1 3.91Å; C129-F168 HydrophobicContact CB-CD2 3.85Å; C129-F168 HydrophobicContact CB-CE2 3.83Å; C129-F168 HydrophobicContact CB-CZ 4.49Å; C129-C189 WeakPolarHBondContact CA-SG 3.42Å; C129-C189 HydrophobicContact CB-CB 3.79Å; C129-C189 WeakPolarHBondContact CB-SG 3.44Å; C129-C189 WeakPolarHBondContact SG-CB 3.23Å; C129-C189 CovalentContact SG-SG 2.03Å; C129-C189 PolarHBondContact SG-SG 3.15Å
130	F	86.9	Confident	92.8	Very high	61 Å²	61	51.7 Å²	51.7	27%	0.268	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	-117.9	-165.5	-67.1	-96.7	0	0	0	111.8	P25 R128 E132 L187 C189 Y202	P25-F130 HydrophobicContact CB-CE1 4.03Å; P25-F130 HydrophobicContact CG-CE1 4.23Å; R128-F130 VanDerWaalsContact CB-O 3.28Å; R128-F130 WeakPolarHBondContact CB-O 3.41Å; F130-E132 VanDerWaalsContact C-N 3.34Å; F130-L187 HydrophobicContact CE1-CB 4.35Å; F130-L187 HydrophobicContact CE1-CD1 4.02Å; F130-L187 HydrophobicContact CE2-CB 3.74Å; F130-L187 HydrophobicContact CZ-CB 3.35Å; F130-L187 HydrophobicContact CZ-CD1 3.6Å; F130-L187 HydrophobicContact CZ-CG 4.11Å; F130-C189 WeakPolarHBondContact CD2-SG 3.42Å; F130-C189 VanDerWaalsContact CE2-SG 3.52Å; F130-Y202 HydrophobicContact CB-CD1 4.08Å; F130-Y202 HydrophobicContact CB-CD2 4.34Å; F130-Y202 HydrophobicContact CB-CE1 4.37Å; F130-Y202 HydrophobicContact CB-CG 4.04Å; F130-Y202 VanDerWaalsContact CD2-CB 3.48Å; F130-Y202 HydrophobicContact CD2-CD1 4.1Å; F130-Y202 AromaticContact CD2-CG 3.94Å; F130-Y202 HydrophobicContact CD2-CG 3.94Å; F130-Y202 HydrophobicContact CG-CD1 4.05Å; F130-Y202 HydrophobicContact CG-CG 4.18Å
131	T	84.9	Confident	93	Very high	73 Å²	73	48.5 Å²	48.5	45%	0.448	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-18	-179.1	52.7	0	0	0	0	112.6	C129	C129-T131 PolarHBondContact O-N 3.01Å
132	E	91.8	Very high	93.1	Very high	32 Å²	32	44.3 Å²	44.3	15%	0.15	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.4	-165.1	-62.9	-59.3	118	0	0	112.6	T56 R128 C129 F130 I134 F168 Y202	T56-E132 WeakPolarHBondContact CB-OE2 3.28Å; T56-E132 HydrophobicContact CG2-CB 4.49Å; T56-E132 HydrophobicContact CG2-CG 3.49Å; T56-E132 VanDerWaalsContact CG2-CG 3.49Å; R128-E132 CarbonylContact C-O 3.59Å; R128-E132 WeakPolarHBondContact CA-O 3.41Å; R128-E132 WeakPolarHBondContact CB-O 3.39Å; C129-E132 PolarHBondContact N-O 3.2Å; C129-E132 PolarHBondContact O-N 3.3Å; C129-E132 VanDerWaalsContact O-N 3.1Å; F130-E132 VanDerWaalsContact C-N 3.34Å; E132-I134 PolarHBondContact O-N 3Å; E132-F168 HydrophobicContact CB-CD1 3.89Å; E132-F168 HydrophobicContact CB-CE1 4.36Å; E132-F168 HydrophobicContact CB-CG 4.5Å; E132-Y202 HydrophobicContact CG-CD2 4.16Å; E132-Y202 HydrophobicContact CG-CE2 3.62Å
133	P	94.5	Very high	93.1	Very high	65 Å²	65	45.3 Å²	45.3	42%	0.422	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	131.6	171.4	-3.4	11.1	0	0	0	111.1	I126 R128 P135	I126-P133 HydrophobicContact CG2-CB 3.72Å; I126-P133 HydrophobicContact CG2-CG 4.44Å; R128-P133 VanDerWaalsContact NH1-CD 3.31Å; R128-P133 VanDerWaalsContact NH1-CG 3.27Å; P133-P135 WeakPolarHBondContact O-CD 3.43Å
134	I	95.4	Very high	93.1	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.031	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-76.6	125.1	168.8	-59.4	177.7	0	0	0	108.2	L96 T127 C129 E132 L139 L166 F168	L96-I134 HydrophobicContact CD1-CD1 4.22Å; L96-I134 HydrophobicContact CD1-CG2 4Å; T127-I134 HydrophobicContact CG2-CD1 4.1Å; T127-I134 PolarHBondContact O-N 3.07Å; C129-I134 HydrophobicContact CB-CD1 4.1Å; C129-I134 HydrophobicContact CB-CG1 3.91Å; E132-I134 PolarHBondContact O-N 3Å; I134-L139 HydrophobicContact CB-CD1 4.25Å; I134-L139 HydrophobicContact CB-CD2 4.08Å; I134-L139 HydrophobicContact CB-CG 4.23Å; I134-L139 HydrophobicContact CD1-CD2 4.41Å; I134-L139 HydrophobicContact CG2-CD1 4.32Å; I134-L139 HydrophobicContact CG2-CD2 3.76Å; I134-L139 HydrophobicContact CG2-CG 3.8Å; I134-L139 WeakPolarHBondContact O-CD1 3.42Å; I134-L166 HydrophobicContact CG2-CD2 4.23Å; I134-F168 HydrophobicContact CB-CZ 4.29Å; I134-F168 HydrophobicContact CG1-CE2 4.19Å; I134-F168 HydrophobicContact CG1-CZ 3.94Å; I134-F168 HydrophobicContact CG2-CZ 4.39Å
135	P	95.9	Very high	92.8	Very high	43 Å²	43	44.5 Å²	44.5	28%	0.279	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-58.7	138.6	176.6	-27.8	36.6	0	0	0	113.1	P133 N137 Y138	P133-P135 WeakPolarHBondContact O-CD 3.43Å; P135-N137 WeakPolarHBondContact CB-OD1 3.26Å; P135-N137 PolarHBondContact O-N 3.35Å; P135-N137 VanDerWaalsContact O-N 3.07Å; P135-Y138 HydrophobicContact CB-CD2 3.81Å; P135-Y138 HydrophobicContact CB-CE2 3.98Å; P135-Y138 HydrophobicContact CG-CD2 4.07Å; P135-Y138 HydrophobicContact CG-CE2 4.01Å; P135-Y138 PolarHBondContact O-N 2.95Å
136	D	94.8	Very high	92.4	Very high	89 Å²	89	40.9 Å²	40.9	48%	0.476	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-58.5	-25.8	-176	-80.5	-35.3	0	0	0	113.7	R98 Y138 L139	R98-D136 IonicContact CZ-OD1 2.99Å; R98-D136 IonicContact NH1-OD1 3.78Å; R98-D136 PolarHBondContact NH1-OD1 2.9Å; R98-D136 IonicContact NH2-OD1 3.1Å; R98-D136 PolarHBondContact NH2-OD1 3.4Å; D136-Y138 PolarHBondContact O-N 3.34Å; D136-Y138 VanDerWaalsContact O-N 3.17Å; D136-L139 PolarHBondContact O-N 3.35Å; D136-L139 VanDerWaalsContact O-N 3.11Å
137	N	96.1	Very high	91.8	Very high	69 Å²	69	41 Å²	41	37%	0.369	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-65.4	-16.7	177	70.5	-73.5	0	0	0	113.3	P135 G157 S158 G159	P135-N137 WeakPolarHBondContact CB-OD1 3.26Å; P135-N137 PolarHBondContact O-N 3.35Å; P135-N137 VanDerWaalsContact O-N 3.07Å; N137-G157 CarbonylContact O-C 3.55Å; N137-G157 WeakPolarHBondContact O-CA 3.24Å; N137-S158 PolarHBondContact O-N 2.88Å; N137-S158 PolarHBondContact O-OG 3.08Å; N137-G159 PolarHBondContact O-N 3.43Å
138	Y	96.3	Very high	91.2	Very high	38 Å²	38	47.5 Å²	47.5	15%	0.149	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-99.3	-13.5	174.2	-54.6	-63.1	0	0	0	113.4	T52 V54 L96 P135 D136 I160 L166	T52-Y138 HydrophobicContact CG2-CE1 4.1Å; T52-Y138 VanDerWaalsContact CG2-OH 3.29Å; T52-Y138 WeakPolarHBondContact CG2-OH 3.2Å; V54-Y138 HydrophobicContact CG2-CE2 4.35Å; L96-Y138 WeakPolarHBondContact CB-O 3.27Å; L96-Y138 PolarHBondContact N-O 2.91Å; P135-Y138 HydrophobicContact CB-CD2 3.81Å; P135-Y138 HydrophobicContact CB-CE2 3.98Å; P135-Y138 HydrophobicContact CG-CD2 4.07Å; P135-Y138 HydrophobicContact CG-CE2 4.01Å; P135-Y138 PolarHBondContact O-N 2.95Å; D136-Y138 PolarHBondContact O-N 3.34Å; D136-Y138 VanDerWaalsContact O-N 3.17Å; Y138-I160 HydrophobicContact CD1-CG2 3.45Å; Y138-I160 VanDerWaalsContact CD1-CG2 3.45Å; Y138-I160 HydrophobicContact CE1-CG2 3.77Å; Y138-I160 HydrophobicContact CG-CG2 4.31Å; Y138-L166 HydrophobicContact CD2-CD1 4.17Å; Y138-L166 HydrophobicContact CD2-CD2 3.82Å; Y138-L166 HydrophobicContact CE1-CD1 4.33Å; Y138-L166 HydrophobicContact CE2-CD1 3.86Å; Y138-L166 HydrophobicContact CE2-CD2 4.34Å; Y138-L166 HydrophobicContact CG-CD2 3.98Å
139	L	95.9	Very high	90.8	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-92.5	152.4	-172.7	-69	172.8	0	0	0	112.6	L96 T127 I134 D136 G157	L96-L139 HydrophobicContact CB-CD2 4.05Å; L96-L139 CarbonylContact O-C 3.45Å; L96-L139 WeakPolarHBondContact O-CA 3.3Å; T127-L139 HydrophobicContact CG2-CD2 3.92Å; I134-L139 HydrophobicContact CB-CD1 4.25Å; I134-L139 HydrophobicContact CB-CD2 4.08Å; I134-L139 HydrophobicContact CB-CG 4.23Å; I134-L139 HydrophobicContact CD1-CD2 4.41Å; I134-L139 HydrophobicContact CG2-CD1 4.32Å; I134-L139 HydrophobicContact CG2-CD2 3.76Å; I134-L139 HydrophobicContact CG2-CG 3.8Å; I134-L139 WeakPolarHBondContact O-CD1 3.42Å; D136-L139 PolarHBondContact O-N 3.35Å; D136-L139 VanDerWaalsContact O-N 3.11Å; L139-G157 WeakPolarHBondContact O-CA 3.36Å; L139-G157 PolarHBondContact O-N 3.48Å
140	N	94	Very high	90.6	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.053	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-78.3	168.8	167.7	-147.6	-14.6	0	0	0	110.8	I95 L96 E97 R98 K143	I95-N140 HydrophobicContact CG2-CB 3.57Å; I95-N140 VanDerWaalsContact CG2-N 3.32Å; L96-N140 PolarHBondContact O-N 2.78Å; E97-N140 PolarHBondContact OE1-ND2 2.92Å; R98-N140 PolarHBondContact NE-O 2.94Å; N140-K143 WeakPolarHBondContact ND2-CE 3.32Å
141	G	93.3	Very high	90.8	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.01	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-62.5	159	160.3	0	0	0	0	0	110.7	K143 Q153 S155	G141-K143 PolarHBondContact O-N 2.03Å; G141-Q153 CarbonylContact C-O 3.41Å; G141-Q153 WeakPolarHBondContact CA-O 3.37Å; G141-S155 PolarHBondContact N-O 3.03Å
142	C	93.9	Very high	91	Very high	14 Å²	14	54.1 Å²	54.1	10%	0.095	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	115.1	175.2	178.7	0	0	0	0	110.5	C123 E144 I152 Q153	C123-C142 HydrophobicContact CB-CB 3.75Å; C123-C142 WeakPolarHBondContact CB-SG 3.25Å; C123-C142 PolarHBondContact N-SG 3.27Å; C123-C142 WeakPolarHBondContact SG-CA 3.43Å; C123-C142 WeakPolarHBondContact SG-CB 3.17Å; C123-C142 CovalentContact SG-SG 2.03Å; C123-C142 PolarHBondContact SG-SG 3.01Å; C142-E144 VanDerWaalsContact SG-CG 3.59Å; C142-I152 CarbonylContact O-C 3.46Å; C142-I152 VanDerWaalsContact O-CA 3.28Å; C142-I152 WeakPolarHBondContact O-CA 3.28Å; C142-Q153 HydrophobicContact CB-CB 4.45Å; C142-Q153 PolarHBondContact N-O 3.45Å; C142-Q153 PolarHBondContact O-N 2.86Å
143	K	92.3	Very high	91	Very high	26 Å²	26	57.7 Å²	57.7	11%	0.113	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	118.2	175.8	-68.2	-175.5	-179.4	163.3	0	110.2	T34 E97 Y118 C119 N140 G141 S151 I152	T34-K143 PolarHBondContact OG1-NZ 3.02Å; E97-K143 VanDerWaalsContact CD-NZ 3.25Å; E97-K143 WeakPolarHBondContact OE1-CE 3.12Å; E97-K143 IonicContact OE1-NZ 2.72Å; E97-K143 PolarHBondContact OE1-NZ 2.79Å; E97-K143 WeakPolarHBondContact OE2-CD 3.38Å; E97-K143 VanDerWaalsContact OE2-CE 3.27Å; E97-K143 WeakPolarHBondContact OE2-CE 3.37Å; E97-K143 IonicContact OE2-NZ 3.3Å; E97-K143 PolarHBondContact OE2-NZ 3.36Å; Y118-K143 HydrophobicContact CD1-CB 3.87Å; Y118-K143 HydrophobicContact CE1-CB 4.38Å; C119-K143 WeakPolarHBondContact CB-O 3.04Å; C119-K143 PolarHBondContact N-O 3.38Å; N140-K143 WeakPolarHBondContact ND2-CE 3.32Å; G141-K143 PolarHBondContact O-N 2.03Å; K143-S151 WeakPolarHBondContact CA-O 3.47Å; K143-I152 HydrophobicContact CG-CD1 4.31Å; K143-I152 HydrophobicContact CG-CG1 4.15Å
144	E	92.4	Very high	90.8	Very high	28 Å²	28	58.2 Å²	58.2	13%	0.131	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153.7	179.7	-65.8	-179.8	-103.3	0	0	111.5	C119 G122 C142 V146 P150 S151 Q153	C119-E144 WeakPolarHBondContact O-CA 3.37Å; G122-E144 WeakPolarHBondContact CA-OE2 3.4Å; C142-E144 VanDerWaalsContact SG-CG 3.59Å; E144-V146 HydrophobicContact CB-CG2 3.98Å; E144-P150 WeakPolarHBondContact O-CA 3.17Å; E144-S151 PolarHBondContact N-O 3.1Å; E144-S151 PolarHBondContact O-N 3.25Å; E144-Q153 VanDerWaalsContact OE1-CD 3.23Å; E144-Q153 WeakPolarHBondContact OE1-CG 3.27Å; E144-Q153 PolarHBondContact OE1-NE2 3.43Å
145	F	88	Confident	90.5	Very high	47 Å²	47	61.6 Å²	61.6	21%	0.206	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	86.3	173.6	-160.5	-108.7	0	0	0	110.3	V108 W110 Y118 C119 N148	V108-F145 HydrophobicContact CB-CE2 4.43Å; V108-F145 HydrophobicContact CG1-CE2 4.07Å; V108-F145 HydrophobicContact CG1-CZ 4.35Å; V108-F145 HydrophobicContact CG2-CD2 3.89Å; V108-F145 HydrophobicContact CG2-CE1 4.44Å; V108-F145 HydrophobicContact CG2-CE2 3.72Å; V108-F145 HydrophobicContact CG2-CG 4.33Å; V108-F145 HydrophobicContact CG2-CZ 4.01Å; W110-F145 HydrophobicContact CH2-CE2 4.03Å; W110-F145 HydrophobicContact CZ2-CE2 4.32Å; Y118-F145 HydrophobicContact CD2-CD2 4.34Å; Y118-F145 HydrophobicContact CG-CB 4.26Å; Y118-F145 HydrophobicContact CG-CD2 4.37Å; C119-F145 PolarHBondContact O-N 2.96Å; F145-N148 HydrophobicContact CE1-CB 4.42Å; F145-N148 HydrophobicContact CZ-CB 4.39Å
146	V	82	Confident	90.4	Very high	81 Å²	81	66 Å²	66	49%	0.491	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.6	-175.1	-175.4	0	0	0	0	109.5	E144 N148 K149	E144-V146 HydrophobicContact CB-CG2 3.98Å; V146-N148 VanDerWaalsContact C-N 3.33Å; V146-N148 PolarHBondContact O-N 3.27Å; V146-K149 PolarHBondContact N-O 2.84Å; V146-K149 PolarHBondContact O-N 2.93Å; V146-K149 VanDerWaalsContact O-O 3.08Å
147	A	82	Confident	90.4	Very high	89 Å²	89	62.4 Å²	62.4	74%	0.736	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	47.3	176.4	0	0	0	0	0	114	K149	A147-K149 PolarHBondContact O-N 2.88Å
148	N	79.8	Confident	90.3	Very high	136 Å²	136	62.4 Å²	62.4	73%	0.727	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	18.9	-176.4	-64.9	-27.3	0	0	0	115.3	F145 V146	F145-N148 HydrophobicContact CE1-CB 4.42Å; F145-N148 HydrophobicContact CZ-CB 4.39Å; V146-N148 VanDerWaalsContact C-N 3.33Å; V146-N148 PolarHBondContact O-N 3.27Å
149	K	85.5	Confident	90.2	Very high	154 Å²	154	61 Å²	61	67%	0.67	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.7	176.5	-65.5	-178.1	-177.4	178.5	0	110.7	V146 A147	V146-K149 PolarHBondContact N-O 2.84Å; V146-K149 PolarHBondContact O-N 2.93Å; V146-K149 VanDerWaalsContact O-O 3.08Å; A147-K149 PolarHBondContact O-N 2.88Å
150	P	87.2	Confident	90.1	Very high	61 Å²	61	61 Å²	61	40%	0.396	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	135.9	173.5	32.6	-29.8	0	0	0	109	W110 Y118 E144	W110-P150 HydrophobicContact CH2-CB 4.34Å; W110-P150 HydrophobicContact CH2-CG 3.68Å; W110-P150 HydrophobicContact CZ2-CB 3.88Å; W110-P150 HydrophobicContact CZ2-CG 3.57Å; Y118-P150 HydrophobicContact CD1-CB 4.13Å; Y118-P150 HydrophobicContact CE1-CB 3.33Å; E144-P150 WeakPolarHBondContact O-CA 3.17Å
151	S	90.1	Very high	90.1	Very high	47 Å²	47	62.8 Å²	62.8	33%	0.329	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.5	171.5	-173.3	0	0	0	0	109.2	K143 E144	K143-S151 WeakPolarHBondContact CA-O 3.47Å; E144-S151 PolarHBondContact N-O 3.1Å; E144-S151 PolarHBondContact O-N 3.25Å
152	I	90	Very high	90.1	Very high	100 Å²	100	64 Å²	64	51%	0.513	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	114.9	171.8	-52.9	-173.9	0	0	0	107.4	C142 K143	C142-I152 CarbonylContact O-C 3.46Å; C142-I152 VanDerWaalsContact O-CA 3.28Å; C142-I152 WeakPolarHBondContact O-CA 3.28Å; K143-I152 HydrophobicContact CG-CD1 4.31Å; K143-I152 HydrophobicContact CG-CG1 4.15Å
153	Q	91.5	Very high	90.1	Very high	106 Å²	106	64.3 Å²	64.3	50%	0.495	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	151.2	178.6	-56.9	-160.1	39.9	0	0	111.8	G141 C142 E144	G141-Q153 CarbonylContact C-O 3.41Å; G141-Q153 WeakPolarHBondContact CA-O 3.37Å; C142-Q153 HydrophobicContact CB-CB 4.45Å; C142-Q153 PolarHBondContact N-O 3.45Å; C142-Q153 PolarHBondContact O-N 2.86Å; E144-Q153 VanDerWaalsContact OE1-CD 3.23Å; E144-Q153 WeakPolarHBondContact OE1-CG 3.27Å; E144-Q153 PolarHBondContact OE1-NE2 3.43Å
154	G	89.5	Confident	90.2	Very high	76 Å²	76	63.1 Å²	63.1	78%	0.784	37%	0.373	S	S	*	.	S	Bend	trans	79.9	-171.8	177.3	0	0	0	0	0	114.3
155	S	90.1	Very high	90.5	Very high	78 Å²	78	61.8 Å²	61.8	55%	0.545	37%	0.367	S	S	.	.			trans	-84.7	145.1	-177.7	50.7	0	0	0	0	112	G141	G141-S155 PolarHBondContact N-O 3.03Å
156	R	92.7	Very high	91	Very high	135 Å²	135	59.5 Å²	59.5	51%	0.509	36%	0.357	S	S	.	.			trans	-97.4	123.1	169.1	-178.5	-175.7	-179.2	-83.6	13.1	108.9	I95	I95-R156 VanDerWaalsContact CG1-NH2 3.31Å
157	G	94.8	Very high	91.7	Very high	13 Å²	13	55.7 Å²	55.7	13%	0.134	33%	0.333	C	S	.	.			trans	-69.1	176.6	174.1	0	0	0	0	0	113.8	N137 L139 G159	N137-G157 CarbonylContact O-C 3.55Å; N137-G157 WeakPolarHBondContact O-CA 3.24Å; L139-G157 WeakPolarHBondContact O-CA 3.36Å; L139-G157 PolarHBondContact O-N 3.48Å; G157-G159 VanDerWaalsContact C-N 3.33Å
158	S	94.7	Very high	92.5	Very high	70 Å²	70	51.5 Å²	51.5	49%	0.49	30%	0.299	S	S	.	.			trans	-76.4	-20.5	174.7	57.4	0	0	0	0	113.3	N93 N137	N93-S158 VanDerWaalsContact CB-O 3.29Å; N93-S158 WeakPolarHBondContact CB-O 3.21Å; N93-S158 PolarHBondContact ND2-O 2.83Å; N137-S158 PolarHBondContact O-N 2.88Å; N137-S158 PolarHBondContact O-OG 3.08Å
159	G	94.1	Very high	93.3	Very high	7 Å²	7	45 Å²	45	7%	0.072	26%	0.264	C	S	.	.			trans	74.1	-170.6	-176	0	0	0	0	0	114.1	I94 I95 N137 G157	I94-G159 CarbonylContact O-C 3.33Å; I94-G159 WeakPolarHBondContact O-CA 3.3Å; I95-G159 VanDerWaalsContact CD1-CA 3.47Å; N137-G159 PolarHBondContact O-N 3.43Å; G157-G159 VanDerWaalsContact C-N 3.33Å
160	I	94.7	Very high	93.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-102.3	156.9	171.2	63.4	178.3	0	0	0	110.8	N93 I94 Y138 L166 V199	N93-I160 CarbonylContact C-O 3.54Å; N93-I160 WeakPolarHBondContact CA-O 3.45Å; N93-I160 VanDerWaalsContact CB-O 3.22Å; N93-I160 WeakPolarHBondContact CB-O 3.24Å; I94-I160 HydrophobicContact CB-CD1 4.34Å; I94-I160 HydrophobicContact CB-CG1 3.75Å; I94-I160 HydrophobicContact CD1-CD1 4.49Å; I94-I160 HydrophobicContact CD1-CG1 4.4Å; I94-I160 HydrophobicContact CG2-CD1 4.47Å; I94-I160 HydrophobicContact CG2-CG1 4.3Å; I94-I160 PolarHBondContact N-O 3.34Å; I94-I160 PolarHBondContact O-N 2.67Å; Y138-I160 HydrophobicContact CD1-CG2 3.45Å; Y138-I160 VanDerWaalsContact CD1-CG2 3.45Å; Y138-I160 HydrophobicContact CE1-CG2 3.77Å; Y138-I160 HydrophobicContact CG-CG2 4.31Å; I160-L166 HydrophobicContact CD1-CB 4.39Å; I160-L166 HydrophobicContact CG2-CB 4.13Å; I160-L166 HydrophobicContact CG2-CD1 4.5Å; I160-V199 HydrophobicContact CD1-CB 4.28Å; I160-V199 WeakPolarHBondContact CD1-O 3.33Å
161	P	93.6	Very high	93.9	Very high	49 Å²	49	35.1 Å²	35.1	32%	0.318	22%	0.216	S	C	.	.			trans	-54.3	155.5	176.7	-26.8	35.7	0	0	0	113.2	N163 G164	P161-N163 VanDerWaalsContact C-N 3.26Å; P161-N163 PolarHBondContact O-N 3.34Å; P161-G164 VanDerWaalsContact O-CA 3.3Å; P161-G164 WeakPolarHBondContact O-CA 3.43Å; P161-G164 PolarHBondContact O-N 3.01Å
162	P	92.3	Very high	94	Very high	25 Å²	25	35.2 Å²	35.2	16%	0.162	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.4	-179.1	-27.3	35.7	0	0	0	115.7	V89 A90 I94 G164	V89-P162 HydrophobicContact CG1-CB 3.42Å; V89-P162 VanDerWaalsContact CG1-CB 3.42Å; A90-P162 HydrophobicContact CB-CB 4.07Å; A90-P162 VanDerWaalsContact O-CB 3.29Å; A90-P162 WeakPolarHBondContact O-CB 3.4Å; I94-P162 WeakPolarHBondContact CD1-O 3.45Å; P162-G164 VanDerWaalsContact C-N 3.33Å
163	N	94.6	Very high	93.9	Very high	22 Å²	22	33.9 Å²	33.9	12%	0.118	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	13.1	173.4	63.3	-33.4	0	0	0	112.2	N46 Q48 K50 V86 P161	N46-N163 WeakPolarHBondContact O-CB 3.47Å; N46-N163 PolarHBondContact O-ND2 3.3Å; Q48-N163 PolarHBondContact O-ND2 2.96Å; K50-N163 PolarHBondContact N-O 2.67Å; V86-N163 HydrophobicContact CG2-CB 4.32Å; P161-N163 VanDerWaalsContact C-N 3.26Å; P161-N163 PolarHBondContact O-N 3.34Å
164	G	95.6	Very high	93.7	Very high	0 Å²	0	30 Å²	30	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	158.9	-171.6	0	0	0	0	0	114	K50 P161 P162 R197	K50-G164 CarbonylContact O-C 3.36Å; K50-G164 VanDerWaalsContact O-CA 3.27Å; K50-G164 WeakPolarHBondContact O-CA 3.37Å; P161-G164 VanDerWaalsContact O-CA 3.3Å; P161-G164 WeakPolarHBondContact O-CA 3.43Å; P161-G164 PolarHBondContact O-N 3.01Å; P162-G164 VanDerWaalsContact C-N 3.33Å; G164-R197 PolarHBondContact O-NH1 3.34Å
165	Y	97.8	Very high	93.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	124.7	167.9	-172.4	-73.1	0	0	0	109.2	K50 F51 T52 V167 P198 V199 G201 M228 A231 L232	K50-Y165 PolarHBondContact O-N 2.98Å; F51-Y165 WeakPolarHBondContact CA-O 3.49Å; F51-Y165 AromaticContact CD1-CD1 3.66Å; F51-Y165 HydrophobicContact CD1-CD1 3.66Å; F51-Y165 AromaticContact CD1-CG 3.94Å; F51-Y165 HydrophobicContact CD1-CG 3.94Å; F51-Y165 AromaticContact CE1-CD1 3.7Å; F51-Y165 HydrophobicContact CE1-CD1 3.7Å; F51-Y165 HydrophobicContact CE1-CE1 4.4Å; F51-Y165 AromaticContact CE1-CG 3.78Å; F51-Y165 HydrophobicContact CE1-CG 3.78Å; T52-Y165 PolarHBondContact N-O 2.85Å; Y165-V167 HydrophobicContact CD1-CB 4.04Å; Y165-V167 HydrophobicContact CE1-CB 3.96Å; Y165-P198 VanDerWaalsContact CD2-O 3.28Å; Y165-P198 WeakPolarHBondContact CD2-O 3.31Å; Y165-P198 HydrophobicContact CE2-CB 3.93Å; Y165-P198 WeakPolarHBondContact CE2-O 3.48Å; Y165-V199 CarbonylContact C-O 3.4Å; Y165-V199 WeakPolarHBondContact CA-O 3.49Å; Y165-G201 VanDerWaalsContact OH-CA 3.24Å; Y165-G201 WeakPolarHBondContact OH-CA 3.49Å; Y165-G201 PolarHBondContact OH-N 3.26Å; Y165-M228 HydrophobicContact CE1-CE 4.5Å; Y165-A231 WeakPolarHBondContact OH-CB 3.2Å; Y165-A231 PolarHBondContact OH-O 3.32Å; Y165-L232 HydrophobicContact CD2-CD2 3.9Å; Y165-L232 HydrophobicContact CE2-CD2 3.86Å
166	L	98	Very high	93.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	112.2	175.5	-174.8	64.2	0	0	0	110.2	T52 V54 L96 I134 Y138 I160 F168 V199 A200 G201	T52-L166 HydrophobicContact CG2-CD1 3.82Å; T52-L166 WeakPolarHBondContact O-CA 3.22Å; V54-L166 HydrophobicContact CG2-CD1 3.81Å; L96-L166 HydrophobicContact CD1-CD2 3.58Å; I134-L166 HydrophobicContact CG2-CD2 4.23Å; Y138-L166 HydrophobicContact CD2-CD1 4.17Å; Y138-L166 HydrophobicContact CD2-CD2 3.82Å; Y138-L166 HydrophobicContact CE1-CD1 4.33Å; Y138-L166 HydrophobicContact CE2-CD1 3.86Å; Y138-L166 HydrophobicContact CE2-CD2 4.34Å; Y138-L166 HydrophobicContact CG-CD2 3.98Å; I160-L166 HydrophobicContact CD1-CB 4.39Å; I160-L166 HydrophobicContact CG2-CB 4.13Å; I160-L166 HydrophobicContact CG2-CD1 4.5Å; L166-F168 HydrophobicContact CD2-CE2 3.61Å; L166-F168 HydrophobicContact CD2-CZ 3.86Å; L166-F168 HydrophobicContact CG-CD2 4.46Å; L166-F168 HydrophobicContact CG-CE2 3.77Å; L166-F168 HydrophobicContact CG-CZ 4.27Å; L166-V199 PolarHBondContact N-O 3.33Å; L166-A200 HydrophobicContact CB-CB 4.16Å; L166-A200 CarbonylContact O-C 3.47Å; L166-A200 WeakPolarHBondContact O-CA 3.46Å; L166-G201 PolarHBondContact O-N 2.96Å
167	V	97.9	Very high	92.8	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.6	177.9	60.6	0	0	0	0	111.1	F51 T52 V53 V54 L77 Y165 V169 G201 V203 M228	F51-V167 HydrophobicContact CB-CG1 4.25Å; F51-V167 HydrophobicContact CD1-CB 4.49Å; F51-V167 HydrophobicContact CD1-CG1 4.11Å; F51-V167 HydrophobicContact CG-CG1 4.48Å; T52-V167 PolarHBondContact O-N 2.03Å; V53-V167 WeakPolarHBondContact CA-O 3.22Å; V53-V167 HydrophobicContact CB-CG1 4.26Å; V53-V167 HydrophobicContact CG1-CG1 4.21Å; V53-V167 HydrophobicContact CG2-CG1 3.86Å; V54-V167 PolarHBondContact N-O 3.24Å; L77-V167 HydrophobicContact CD1-CG1 4.41Å; L77-V167 HydrophobicContact CD2-CG1 4.31Å; Y165-V167 HydrophobicContact CD1-CB 4.04Å; Y165-V167 HydrophobicContact CE1-CB 3.96Å; V167-V169 HydrophobicContact CG2-CG2 4.12Å; V167-G201 WeakPolarHBondContact CA-O 3.4Å; V167-V203 HydrophobicContact CG2-CG2 4.11Å; V167-M228 HydrophobicContact CG2-CE 4.3Å; V167-M228 HydrophobicContact CG2-SD 3.76Å
168	F	97.4	Very high	92.2	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.009	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.6	169.3	-67.2	-97.6	0	0	0	108.9	V54 C129 E132 I134 L166 G201 Y202 V203	V54-F168 HydrophobicContact CB-CD1 3.77Å; V54-F168 HydrophobicContact CB-CE1 3.87Å; V54-F168 HydrophobicContact CB-CG 4.38Å; V54-F168 HydrophobicContact CG1-CD1 3.75Å; V54-F168 HydrophobicContact CG1-CE1 3.75Å; V54-F168 HydrophobicContact CG2-CE1 4.16Å; V54-F168 HydrophobicContact CG2-CZ 4.44Å; V54-F168 WeakPolarHBondContact O-CA 3.18Å; C129-F168 HydrophobicContact CB-CD2 3.85Å; C129-F168 HydrophobicContact CB-CE2 3.83Å; C129-F168 HydrophobicContact CB-CZ 4.49Å; E132-F168 HydrophobicContact CB-CD1 3.89Å; E132-F168 HydrophobicContact CB-CE1 4.36Å; E132-F168 HydrophobicContact CB-CG 4.5Å; I134-F168 HydrophobicContact CB-CZ 4.29Å; I134-F168 HydrophobicContact CG1-CE2 4.19Å; I134-F168 HydrophobicContact CG1-CZ 3.94Å; I134-F168 HydrophobicContact CG2-CZ 4.39Å; L166-F168 HydrophobicContact CD2-CE2 3.61Å; L166-F168 HydrophobicContact CD2-CZ 3.86Å; L166-F168 HydrophobicContact CG-CD2 4.46Å; L166-F168 HydrophobicContact CG-CE2 3.77Å; L166-F168 HydrophobicContact CG-CZ 4.27Å; F168-G201 PolarHBondContact N-O 3.38Å; F168-Y202 HydrophobicContact CB-CD2 3.72Å; F168-V203 PolarHBondContact O-N 2.94Å
169	V	96.7	Very high	91.4	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.2	-179.4	178.9	0	0	0	0	109.1	V53 V54 Y55 T56 F59 V73 V167 F224	V53-V169 HydrophobicContact CG1-CB 4.46Å; V53-V169 HydrophobicContact CG1-CG2 3.78Å; V54-V169 PolarHBondContact O-N 3.09Å; Y55-V169 HydrophobicContact CD1-CB 4.07Å; Y55-V169 HydrophobicContact CD1-CG1 4.35Å; Y55-V169 HydrophobicContact CE1-CB 4.38Å; T56-V169 WeakPolarHBondContact CG2-O 3.47Å; T56-V169 PolarHBondContact N-O 3.31Å; T56-V169 VanDerWaalsContact N-O 3.08Å; T56-V169 PolarHBondContact OG1-O 3.25Å; F59-V169 VanDerWaalsContact CB-O 3.3Å; F59-V169 WeakPolarHBondContact CB-O 3.42Å; F59-V169 HydrophobicContact CD1-CG1 4.16Å; F59-V169 HydrophobicContact CD2-CG1 4.23Å; F59-V169 HydrophobicContact CE1-CG1 4.07Å; F59-V169 HydrophobicContact CE2-CG1 4.14Å; F59-V169 HydrophobicContact CG-CG1 4.28Å; F59-V169 HydrophobicContact CZ-CG1 4.08Å; V73-V169 HydrophobicContact CG1-CG1 4.38Å; V73-V169 HydrophobicContact CG1-CG2 4.16Å; V73-V169 HydrophobicContact CG2-CG1 3.99Å; V167-V169 HydrophobicContact CG2-CG2 4.12Å; V169-F224 HydrophobicContact CG1-CE2 3.99Å; V169-F224 HydrophobicContact CG1-CZ 4.29Å; V169-F224 HydrophobicContact CG2-CE2 4.35Å; V169-F224 HydrophobicContact CG2-CZ 3.86Å
170	D	94.1	Very high	90.3	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	156.8	-175.1	-153.7	-6	0	0	0	112.2	T56 F59 T172 Y202 V203 N204 M205	T56-D170 HydrophobicContact CG2-CB 3.79Å; T56-D170 WeakPolarHBondContact OG1-CA 3.35Å; T56-D170 PolarHBondContact OG1-OD1 2.92Å; F59-D170 PolarHBondContact N-OD1 3.13Å; D170-T172 PolarHBondContact OD1-N 3.05Å; D170-T172 PolarHBondContact OD1-OG1 3.48Å; D170-T172 PolarHBondContact OD2-OG1 2.82Å; D170-Y202 HydrophobicContact CB-CE2 3.67Å; D170-Y202 VanDerWaalsContact CB-OH 3.25Å; D170-Y202 WeakPolarHBondContact CB-OH 3.28Å; D170-Y202 VanDerWaalsContact CG-OH 3.26Å; D170-Y202 PolarHBondContact OD2-OH 2.93Å; D170-V203 PolarHBondContact N-O 2.83Å; D170-N204 VanDerWaalsContact C-OD1 3.3Å; D170-N204 HydrophobicContact CB-CB 4.11Å; D170-N204 WeakPolarHBondContact CB-OD1 3.3Å; D170-N204 WeakPolarHBondContact O-CA 3.42Å; D170-M205 PolarHBondContact O-N 3.35Å
171	A	92.5	Very high	89.3	Confident	6 Å²	6	39.2 Å²	39.2	5%	0.05	22%	0.224	C	C	.	.			trans	-145.4	59.6	164.4	0	0	0	0	0	108.9	F59 N204 M205 P207 L210	F59-A171 HydrophobicContact CD2-CB 3.6Å; F59-A171 HydrophobicContact CE2-CB 4.31Å; A171-N204 WeakPolarHBondContact CA-OD1 3.36Å; A171-N204 PolarHBondContact N-OD1 3.35Å; A171-M205 VanDerWaalsContact CA-O 3.22Å; A171-M205 WeakPolarHBondContact CA-O 3.4Å; A171-M205 WeakPolarHBondContact CB-O 3.35Å; A171-P207 HydrophobicContact CB-CG 4.32Å; A171-P207 WeakPolarHBondContact O-CG 3.13Å; A171-L210 HydrophobicContact CB-CD1 3.67Å
172	T	90.7	Very high	88.7	Confident	49 Å²	49	37 Å²	37	30%	0.301	21%	0.209	S	C	.	.			trans	-91.8	136.9	174.8	-63.6	0	0	0	0	109.1	G58 D170 T174 N204	G58-T172 WeakPolarHBondContact CA-OG1 3.37Å; D170-T172 PolarHBondContact OD1-N 3.05Å; D170-T172 PolarHBondContact OD1-OG1 3.48Å; D170-T172 PolarHBondContact OD2-OG1 2.82Å; T172-T174 HydrophobicContact CG2-CG2 3.91Å; T172-T174 PolarHBondContact O-N 3.31Å; T172-N204 PolarHBondContact N-OD1 3.48Å; T172-N204 PolarHBondContact O-ND2 2.92Å; T172-N204 PolarHBondContact O-OD1 2.87Å
173	A	89.2	Confident	88.4	Confident	72 Å²	72	36.8 Å²	36.8	60%	0.595	21%	0.207	S	C	*	.			trans	-74.6	71.3	172.6	0	0	0	0	0	110.4	P207	A173-P207 HydrophobicContact CB-CG 4.28Å
174	T	87.3	Confident	88.1	Confident	25 Å²	25	35.7 Å²	35.7	15%	0.153	20%	0.201	C	C	.	.			trans	-72.8	167.7	177.7	58.3	0	0	0	0	111.3	T172 C177 Q178 Y185	T172-T174 HydrophobicContact CG2-CG2 3.91Å; T172-T174 PolarHBondContact O-N 3.31Å; T174-C177 WeakPolarHBondContact O-CA 3.32Å; T174-C177 WeakPolarHBondContact O-CB 3.46Å; T174-C177 PolarHBondContact O-N 3.48Å; T174-Q178 PolarHBondContact O-N 2.93Å; T174-Y185 WeakPolarHBondContact CG2-OH 3.3Å; T174-Y185 PolarHBondContact OG1-OH 3.17Å; T174-Y185 VanDerWaalsContact OG1-OH 3.07Å
175	E	85.4	Confident	87.8	Confident	157 Å²	157	36.4 Å²	36.4	73%	0.734	20%	0.204	S	C	*	.	S	Bend	trans	-51.9	-45.5	176.4	179	-171.8	-177.8	0	0	113	C177 Q178	E175-C177 VanDerWaalsContact C-N 3.25Å; E175-C177 PolarHBondContact O-N 3.34Å; E175-Q178 VanDerWaalsContact O-CB 3.3Å; E175-Q178 WeakPolarHBondContact O-CB 3.24Å; E175-Q178 PolarHBondContact O-N 3.39Å
176	P	81.2	Confident	87.5	Confident	62 Å²	62	36.4 Å²	36.4	40%	0.403	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-56	-37.7	173.2	-26.9	35.4	0	0	0	113.8	Q178 S179 L182 Y185	P176-Q178 PolarHBondContact O-N 2.76Å; P176-S179 WeakPolarHBondContact O-CB 3.44Å; P176-S179 PolarHBondContact O-N 3.29Å; P176-L182 HydrophobicContact CB-CD2 3.41Å; P176-L182 VanDerWaalsContact CB-CD2 3.41Å; P176-L182 WeakPolarHBondContact O-CD2 3.37Å; P176-Y185 HydrophobicContact CB-CD1 4.48Å; P176-Y185 HydrophobicContact CB-CE1 4.25Å
177	C	85.7	Confident	87.2	Confident	8 Å²	8	36.6 Å²	36.6	5%	0.054	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-75.1	-2.5	178.6	-71.2	0	0	0	0	114.4	T174 E175 S179 N204 C206	T174-C177 WeakPolarHBondContact O-CA 3.32Å; T174-C177 WeakPolarHBondContact O-CB 3.46Å; T174-C177 PolarHBondContact O-N 3.48Å; E175-C177 VanDerWaalsContact C-N 3.25Å; E175-C177 PolarHBondContact O-N 3.34Å; C177-S179 VanDerWaalsContact C-N 3.25Å; C177-N204 PolarHBondContact SG-ND2 3.34Å; C177-C206 WeakPolarHBondContact CA-SG 3.41Å; C177-C206 HydrophobicContact CB-CB 3.6Å; C177-C206 WeakPolarHBondContact CB-SG 3.21Å; C177-C206 WeakPolarHBondContact SG-CA 3.32Å; C177-C206 WeakPolarHBondContact SG-CB 3.47Å; C177-C206 CovalentContact SG-SG 2.04Å; C177-C206 PolarHBondContact SG-SG 3.02Å
178	Q	83.6	Confident	87	Confident	149 Å²	149	37.6 Å²	37.6	70%	0.696	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-77.4	-15.3	170.6	-61.6	179	-1.2	0	0	112	T174 E175 P176	T174-Q178 PolarHBondContact O-N 2.93Å; E175-Q178 VanDerWaalsContact O-CB 3.3Å; E175-Q178 WeakPolarHBondContact O-CB 3.24Å; E175-Q178 PolarHBondContact O-N 3.39Å; P176-Q178 PolarHBondContact O-N 2.76Å
179	S	77.3	Confident	86.8	Confident	37 Å²	37	38.6 Å²	38.6	26%	0.259	22%	0.22	S	C	.	.	S	Bend	trans	-77.5	128	171.9	-179.3	0	0	0	0	110	P176 C177 D181 L182	P176-S179 WeakPolarHBondContact O-CB 3.44Å; P176-S179 PolarHBondContact O-N 3.29Å; C177-S179 VanDerWaalsContact C-N 3.25Å; S179-D181 PolarHBondContact O-N 3.49Å; S179-D181 VanDerWaalsContact O-N 3.15Å; S179-D181 PolarHBondContact OG-N 2.89Å; S179-L182 PolarHBondContact O-N 3.3Å
180	D	69.8	Low	86.6	Confident	112 Å²	112	38.7 Å²	38.7	60%	0.599	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.2	174.5	-68.7	-36.6	0	0	0	112.5	H20	H20-D180 PolarHBondContact CE1-O 3.29Å; H20-D180 PolarHBondContact ND1-O 3.46Å
181	D	74.1	Confident	86.6	Confident	49 Å²	49	39 Å²	39	26%	0.262	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.3	-179.3	-58.7	-46	0	0	0	113.8	T18 H20 V21 S179	T18-D181 WeakPolarHBondContact CB-OD1 3.34Å; H20-D181 CarbonylContact C-O 3.56Å; H20-D181 VanDerWaalsContact C-O 3.28Å; H20-D181 WeakPolarHBondContact CA-O 3.5Å; H20-D181 VanDerWaalsContact CB-O 3.24Å; H20-D181 WeakPolarHBondContact CB-O 3.14Å; V21-D181 PolarHBondContact N-O 2.86Å; S179-D181 PolarHBondContact O-N 3.49Å; S179-D181 VanDerWaalsContact O-N 3.15Å; S179-D181 PolarHBondContact OG-N 2.89Å
182	L	82.2	Confident	86.5	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	22%	0.221	C	C	.	.			trans	-102.9	117.9	-179.9	-170.1	63.3	0	0	0	111.5	K23 P176 S179 A184 Y185 C206	K23-L182 HydrophobicContact CB-CD1 3.72Å; K23-L182 HydrophobicContact CG-CD1 4.2Å; P176-L182 HydrophobicContact CB-CD2 3.41Å; P176-L182 VanDerWaalsContact CB-CD2 3.41Å; P176-L182 WeakPolarHBondContact O-CD2 3.37Å; S179-L182 PolarHBondContact O-N 3.3Å; L182-A184 WeakPolarHBondContact CD1-O 3.3Å; L182-Y185 HydrophobicContact CD2-CD1 3.94Å; L182-C206 PolarHBondContact O-SG 3.27Å
183	L	85	Confident	86.2	Confident	21 Å²	21	38.7 Å²	38.7	11%	0.11	22%	0.216	C	C	.	.			trans	-83.8	-45.5	176.2	-65.7	177.3	0	0	0	112.4	H20 C206 Q209 T223 Y348	H20-L183 HydrophobicContact CB-CD1 3.87Å; H20-L183 HydrophobicContact CB-CD2 4.1Å; H20-L183 HydrophobicContact CB-CG 3.59Å; L183-C206 VanDerWaalsContact O-CB 3.24Å; L183-C206 WeakPolarHBondContact O-CB 3.49Å; L183-C206 PolarHBondContact O-N 2.61Å; L183-Q209 HydrophobicContact CD2-CB 3.58Å; L183-Q209 HydrophobicContact CD2-CG 3.74Å; L183-T223 HydrophobicContact CB-CG2 4.14Å; L183-Y348 HydrophobicContact CD1-CD2 3.51Å; L183-Y348 HydrophobicContact CD1-CE2 4.41Å; L183-Y348 HydrophobicContact CD1-CG 3.85Å
184	A	88.6	Confident	85.9	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	172.5	-174.6	0	0	0	0	0	109.1	L182 N204 M205 T223 E227	L182-A184 WeakPolarHBondContact CD1-O 3.3Å; A184-N204 CarbonylContact C-O 3.58Å; A184-N204 WeakPolarHBondContact CA-O 3.47Å; A184-N204 VanDerWaalsContact CB-O 3.28Å; A184-N204 WeakPolarHBondContact CB-O 3.44Å; A184-M205 HydrophobicContact CB-CG 4.33Å; A184-T223 HydrophobicContact CB-CG2 3.88Å; A184-E227 HydrophobicContact CB-CG 3.5Å
185	Y	90.1	Very high	86	Confident	14 Å²	14	35.5 Å²	35.5	6%	0.055	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	151.8	171.6	61.1	-95.3	0	0	0	110.9	K23 P25 T174 P176 L182 Y202 N204 E227	K23-Y185 VanDerWaalsContact O-CB 3.3Å; K23-Y185 WeakPolarHBondContact O-CB 3.5Å; P25-Y185 HydrophobicContact CG-CD2 3.24Å; P25-Y185 HydrophobicContact CG-CE2 3.83Å; P25-Y185 HydrophobicContact CG-CG 3.88Å; T174-Y185 WeakPolarHBondContact CG2-OH 3.3Å; T174-Y185 PolarHBondContact OG1-OH 3.17Å; T174-Y185 VanDerWaalsContact OG1-OH 3.07Å; P176-Y185 HydrophobicContact CB-CD1 4.48Å; P176-Y185 HydrophobicContact CB-CE1 4.25Å; L182-Y185 HydrophobicContact CD2-CD1 3.94Å; Y185-Y202 HydrophobicContact CD2-CE1 4.43Å; Y185-Y202 HydrophobicContact CE2-CD1 4.17Å; Y185-Y202 AromaticContact CE2-CE1 3.61Å; Y185-Y202 HydrophobicContact CE2-CE1 3.61Å; Y185-N204 HydrophobicContact CD1-CB 4.33Å; Y185-N204 HydrophobicContact CD2-CB 4.33Å; Y185-N204 HydrophobicContact CE1-CB 3.83Å; Y185-N204 WeakPolarHBondContact CE1-ND2 3.35Å; Y185-N204 HydrophobicContact CE2-CB 3.84Å; Y185-N204 PolarHBondContact N-O 2.9Å; Y185-N204 PolarHBondContact O-N 3.05Å; Y185-N204 PolarHBondContact OH-ND2 2.97Å; Y185-E227 WeakPolarHBondContact CA-OE2 3.42Å
186	A	91.7	Very high	86.4	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	152.4	179.1	0	0	0	0	0	114.3	Y202 V203 E227 H230 A231	A186-Y202 WeakPolarHBondContact CA-O 3.45Å; A186-Y202 VanDerWaalsContact CB-O 3.31Å; A186-Y202 WeakPolarHBondContact CB-O 3.49Å; A186-V203 HydrophobicContact CB-CB 4.18Å; A186-V203 HydrophobicContact CB-CG1 4.25Å; A186-V203 HydrophobicContact CB-CG2 3.75Å; A186-E227 HydrophobicContact CB-CB 3.65Å; A186-E227 HydrophobicContact CB-CG 4.42Å; A186-E227 WeakPolarHBondContact CB-O 3.16Å; A186-E227 PolarHBondContact N-OE2 2.85Å; A186-H230 HydrophobicContact CB-CB 4.38Å; A186-H230 WeakPolarHBondContact O-CB 3.3Å; A186-A231 HydrophobicContact CB-CB 4.28Å
187	L	91.2	Very high	87.1	Confident	4 Å²	4	25.1 Å²	25.1	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	158.7	179.7	-88.5	179.4	0	0	0	111.7	V24 P25 F130 G201 Y202 S235	V24-L187 HydrophobicContact CG1-CD1 3.62Å; V24-L187 HydrophobicContact CG1-CD2 3.45Å; V24-L187 VanDerWaalsContact CG1-CD2 3.45Å; V24-L187 HydrophobicContact CG1-CG 3.55Å; P25-L187 HydrophobicContact CB-CD1 4.3Å; P25-L187 HydrophobicContact CG-CD1 4.29Å; F130-L187 HydrophobicContact CE1-CB 4.35Å; F130-L187 HydrophobicContact CE1-CD1 4.02Å; F130-L187 HydrophobicContact CE2-CB 3.74Å; F130-L187 HydrophobicContact CZ-CB 3.35Å; F130-L187 HydrophobicContact CZ-CD1 3.6Å; F130-L187 HydrophobicContact CZ-CG 4.11Å; L187-G201 VanDerWaalsContact O-CA 3.25Å; L187-G201 WeakPolarHBondContact O-CA 3.13Å; L187-Y202 PolarHBondContact N-O 3.12Å; L187-Y202 VanDerWaalsContact N-O 3.12Å; L187-Y202 PolarHBondContact O-N 3.21Å; L187-S235 VanDerWaalsContact CD2-OG 3.26Å; L187-S235 WeakPolarHBondContact CD2-OG 3.12Å
188	A	93.3	Very high	87.6	Confident	21 Å²	21	24.8 Å²	24.8	17%	0.174	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	144.2	167	0	0	0	0	0	111.5	L191 P198	A188-L191 HydrophobicContact CB-CD2 4.47Å; A188-P198 HydrophobicContact CB-CB 3.89Å; A188-P198 HydrophobicContact CB-CG 4.16Å
189	C	92.2	Very high	88.2	Confident	23 Å²	23	17.7 Å²	17.7	16%	0.155	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-38.7	176.1	-68.2	0	0	0	0	112.8	C129 F130 A200	C129-C189 WeakPolarHBondContact CA-SG 3.42Å; C129-C189 HydrophobicContact CB-CB 3.79Å; C129-C189 WeakPolarHBondContact CB-SG 3.44Å; C129-C189 WeakPolarHBondContact SG-CB 3.23Å; C129-C189 CovalentContact SG-SG 2.03Å; C129-C189 PolarHBondContact SG-SG 3.15Å; F130-C189 WeakPolarHBondContact CD2-SG 3.42Å; F130-C189 VanDerWaalsContact CE2-SG 3.52Å; C189-A200 HydrophobicContact CB-CB 4.36Å; C189-A200 PolarHBondContact N-O 2.97Å
190	Q	93.6	Very high	89.2	Confident	3 Å²	3	15.9 Å²	15.9	1%	0.014	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145.9	178.7	-60.1	-158.5	8	0	0	111.6	I31 L96 E97 V199 A200	I31-Q190 HydrophobicContact CB-CG 4.11Å; I31-Q190 HydrophobicContact CG2-CG 4.24Å; I31-Q190 VanDerWaalsContact O-CA 3.26Å; I31-Q190 WeakPolarHBondContact O-CA 3.36Å; L96-Q190 HydrophobicContact CD2-CB 4.26Å; E97-Q190 PolarHBondContact O-NE2 3.18Å; Q190-V199 HydrophobicContact CB-CG2 4.31Å; Q190-V199 WeakPolarHBondContact O-CG2 3.37Å; Q190-V199 PolarHBondContact O-N 2.98Å; Q190-A200 HydrophobicContact CB-CB 4.33Å; Q190-A200 PolarHBondContact N-O 2.65Å; Q190-A200 PolarHBondContact O-N 3.11Å
191	L	93.1	Very high	90.4	Very high	7 Å²	7	10.6 Å²	10.6	4%	0.037	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	147.5	177.1	-53.6	-174.5	0	0	0	110.7	I30 I31 H32 A33 A188 F193 D196 R197 P198 F241	I30-L191 HydrophobicContact CG2-CD1 3.49Å; I30-L191 VanDerWaalsContact CG2-CD1 3.49Å; I30-L191 HydrophobicContact CG2-CG 3.78Å; I31-L191 PolarHBondContact O-N 2.93Å; H32-L191 CarbonylContact C-O 3.55Å; H32-L191 VanDerWaalsContact CA-O 3.23Å; H32-L191 WeakPolarHBondContact CA-O 3.37Å; A33-L191 PolarHBondContact N-O 3.03Å; A188-L191 HydrophobicContact CB-CD2 4.47Å; L191-F193 PolarHBondContact O-N 3.25Å; L191-D196 HydrophobicContact CD1-CB 4.48Å; L191-R197 CarbonylContact C-O 3.52Å; L191-R197 WeakPolarHBondContact CA-O 3.38Å; L191-P198 HydrophobicContact CD2-CB 4.19Å; L191-P198 HydrophobicContact CD2-CG 3.77Å; L191-F241 HydrophobicContact CD1-CB 4.47Å; L191-F241 HydrophobicContact CD1-CD1 3.99Å; L191-F241 HydrophobicContact CD1-CD2 4.45Å; L191-F241 HydrophobicContact CD1-CE1 4.35Å; L191-F241 HydrophobicContact CD1-CG 4.04Å
192	E	91.7	Very high	91.4	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.009	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	126.4	173.2	179.8	171.7	-149.4	0	0	111.1	S35 G194 T195 D196 R197 V199	S35-E192 PolarHBondContact OG-OE1 3.07Å; E192-G194 PolarHBondContact O-N 3.02Å; E192-T195 VanDerWaalsContact CB-OG1 3.29Å; E192-T195 WeakPolarHBondContact CB-OG1 3.27Å; E192-T195 VanDerWaalsContact CD-OG1 3.32Å; E192-T195 VanDerWaalsContact CG-OG1 3.29Å; E192-T195 WeakPolarHBondContact CG-OG1 3.41Å; E192-T195 PolarHBondContact O-N 3.46Å; E192-T195 PolarHBondContact OE2-OG1 3.44Å; E192-D196 WeakPolarHBondContact O-CA 3.37Å; E192-D196 PolarHBondContact O-N 3.5Å; E192-R197 HydrophobicContact CB-CB 4.46Å; E192-R197 PolarHBondContact N-O 3.47Å; E192-R197 IonicContact OE1-NH2 3.24Å; E192-R197 IonicContact OE2-CZ 3.46Å; E192-R197 IonicContact OE2-NE 3.43Å; E192-R197 PolarHBondContact OE2-NE 3.12Å; E192-R197 VanDerWaalsContact OE2-NE 3.17Å; E192-R197 IonicContact OE2-NH2 2.77Å; E192-R197 PolarHBondContact OE2-NH2 3.31Å; E192-V199 HydrophobicContact CB-CG1 3.67Å
193	F	83.6	Confident	92	Very high	45 Å²	45	8.2 Å²	8.2	20%	0.197	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	130.4	176	-176.3	-92.3	0	0	0	111.7	H32 A33 L115 L191 T195	H32-F193 HydrophobicContact CB-CB 4.45Å; H32-F193 HydrophobicContact CB-CD2 4.38Å; A33-F193 WeakPolarHBondContact O-CB 3.39Å; A33-F193 PolarHBondContact O-N 2.84Å; L115-F193 HydrophobicContact CB-CE2 4.33Å; L115-F193 HydrophobicContact CB-CZ 3.9Å; L115-F193 HydrophobicContact CD2-CE2 4.07Å; L115-F193 HydrophobicContact CD2-CZ 4.29Å; L115-F193 HydrophobicContact CG-CE2 4.41Å; L115-F193 HydrophobicContact CG-CZ 4.46Å; L191-F193 PolarHBondContact O-N 3.25Å; F193-T195 VanDerWaalsContact C-N 3.29Å; F193-T195 PolarHBondContact O-N 3.22Å
194	G	82.6	Confident	92.3	Very high	16 Å²	16	7.2 Å²	7.2	17%	0.165	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-18.9	175.4	0	0	0	0	0	115.3	E192 R243	E192-G194 PolarHBondContact O-N 3.02Å; G194-R243 VanDerWaalsContact O-CZ 3.29Å; G194-R243 PolarHBondContact O-NH1 3.13Å; G194-R243 PolarHBondContact O-NH2 2.64Å; G194-R243 VanDerWaalsContact O-NH2 3.16Å
195	T	90.9	Very high	92.4	Very high	14 Å²	14	7.5 Å²	7.5	9%	0.086	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-18.1	171.6	67.3	0	0	0	0	112.5	R88 E192 F193 R197 R243 W367	R88-T195 HydrophobicContact CB-CG2 4.04Å; E192-T195 VanDerWaalsContact CB-OG1 3.29Å; E192-T195 WeakPolarHBondContact CB-OG1 3.27Å; E192-T195 VanDerWaalsContact CD-OG1 3.32Å; E192-T195 VanDerWaalsContact CG-OG1 3.29Å; E192-T195 WeakPolarHBondContact CG-OG1 3.41Å; E192-T195 PolarHBondContact O-N 3.46Å; E192-T195 PolarHBondContact OE2-OG1 3.44Å; F193-T195 VanDerWaalsContact C-N 3.29Å; F193-T195 PolarHBondContact O-N 3.22Å; T195-R197 PolarHBondContact O-N 3.02Å; T195-R197 VanDerWaalsContact O-N 3.12Å; T195-R197 PolarHBondContact OG1-N 3.08Å; T195-R243 VanDerWaalsContact C-NE 3.29Å; T195-R243 WeakPolarHBondContact O-CD 3.46Å; T195-R243 PolarHBondContact O-NE 2.85Å; T195-W367 PolarHBondContact O-NE1 3.38Å; T195-W367 VanDerWaalsContact O-NE1 3.08Å
196	D	93.6	Very high	92.4	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.005	4%	0.043	C	C	.	.			trans	56.7	12.2	-172.8	-42.8	-52	0	0	0	115	H32 L191 E192 F241 R243 R253 W367	H32-D196 IonicContact NE2-OD1 2.73Å; L191-D196 HydrophobicContact CD1-CB 4.48Å; E192-D196 WeakPolarHBondContact O-CA 3.37Å; E192-D196 PolarHBondContact O-N 3.5Å; D196-F241 HydrophobicContact CB-CB 3.85Å; D196-F241 HydrophobicContact CB-CD1 4.04Å; D196-F241 HydrophobicContact CB-CG 4.4Å; D196-R243 VanDerWaalsContact CG-NH2 3.32Å; D196-R243 IonicContact OD1-NH2 3.16Å; D196-R243 IonicContact OD2-CZ 3.17Å; D196-R243 IonicContact OD2-NE 2.82Å; D196-R243 PolarHBondContact OD2-NE 3.27Å; D196-R243 IonicContact OD2-NH2 2.83Å; D196-R243 PolarHBondContact OD2-NH2 2.9Å; D196-R253 IonicContact OD1-NH1 2.93Å; D196-R253 IonicContact OD2-CZ 2.86Å; D196-R253 IonicContact OD2-NH1 3.96Å; D196-R253 PolarHBondContact OD2-NH1 2.83Å; D196-R253 IonicContact OD2-NH2 2.71Å; D196-R253 PolarHBondContact OD2-NH2 3.28Å; D196-W367 WeakPolarHBondContact O-CZ2 3.41Å
197	R	95.6	Very high	92.3	Very high	1 Å²	1	8.7 Å²	8.7	0%	0.004	6%	0.055	C	C	.	.			trans	-68.8	132.6	-179.7	177.6	-179.5	60.5	90.2	-3	110.2	I94 G164 L191 E192 T195 V199 W367 Y368	I94-R197 VanDerWaalsContact CD1-NH2 3.27Å; G164-R197 PolarHBondContact O-NH1 3.34Å; L191-R197 CarbonylContact C-O 3.52Å; L191-R197 WeakPolarHBondContact CA-O 3.38Å; E192-R197 HydrophobicContact CB-CB 4.46Å; E192-R197 PolarHBondContact N-O 3.47Å; E192-R197 IonicContact OE1-NH2 3.24Å; E192-R197 IonicContact OE2-CZ 3.46Å; E192-R197 IonicContact OE2-NE 3.43Å; E192-R197 PolarHBondContact OE2-NE 3.12Å; E192-R197 VanDerWaalsContact OE2-NE 3.17Å; E192-R197 IonicContact OE2-NH2 2.77Å; E192-R197 PolarHBondContact OE2-NH2 3.31Å; T195-R197 PolarHBondContact O-N 3.02Å; T195-R197 VanDerWaalsContact O-N 3.12Å; T195-R197 PolarHBondContact OG1-N 3.08Å; R197-V199 PolarHBondContact O-N 3.06Å; R197-W367 HydrophobicContact CB-CB 3.93Å; R197-W367 HydrophobicContact CB-CD2 4.25Å; R197-W367 HydrophobicContact CB-CG 3.79Å; R197-W367 HydrophobicContact CG-CB 3.8Å; R197-W367 HydrophobicContact CG-CD2 4.46Å; R197-W367 HydrophobicContact CG-CG 4.08Å; R197-Y368 HydrophobicContact CG-CE1 4.16Å
198	P	96.2	Very high	91.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	126.9	168	-29.9	39	0	0	0	112.3	Y165 A188 L191 L232 W367	Y165-P198 VanDerWaalsContact CD2-O 3.28Å; Y165-P198 WeakPolarHBondContact CD2-O 3.31Å; Y165-P198 HydrophobicContact CE2-CB 3.93Å; Y165-P198 WeakPolarHBondContact CE2-O 3.48Å; A188-P198 HydrophobicContact CB-CB 3.89Å; A188-P198 HydrophobicContact CB-CG 4.16Å; L191-P198 HydrophobicContact CD2-CB 4.19Å; L191-P198 HydrophobicContact CD2-CG 3.77Å; P198-L232 WeakPolarHBondContact CG-O 3.35Å; P198-W367 VanDerWaalsContact CD-CE3 3.48Å; P198-W367 HydrophobicContact CG-CE3 4.4Å; P198-W367 HydrophobicContact CG-CH2 4.09Å; P198-W367 HydrophobicContact CG-CZ3 3.85Å
199	V	96.6	Very high	91	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	-14.9	-178.7	-74.5	0	0	0	0	113.7	A33 I94 L96 I160 Y165 L166 Q190 E192 R197	A33-V199 HydrophobicContact CB-CG2 3.85Å; I94-V199 HydrophobicContact CD1-CG1 3.88Å; I94-V199 HydrophobicContact CG2-CB 4.33Å; I94-V199 HydrophobicContact CG2-CG1 4.27Å; I94-V199 HydrophobicContact CG2-CG2 4.24Å; L96-V199 HydrophobicContact CD2-CG2 3.89Å; I160-V199 HydrophobicContact CD1-CB 4.28Å; I160-V199 WeakPolarHBondContact CD1-O 3.33Å; Y165-V199 CarbonylContact C-O 3.4Å; Y165-V199 WeakPolarHBondContact CA-O 3.49Å; L166-V199 PolarHBondContact N-O 3.33Å; Q190-V199 HydrophobicContact CB-CG2 4.31Å; Q190-V199 WeakPolarHBondContact O-CG2 3.37Å; Q190-V199 PolarHBondContact O-N 2.98Å; E192-V199 HydrophobicContact CB-CG1 3.67Å; R197-V199 PolarHBondContact O-N 3.06Å
200	A	96.6	Very high	90.5	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143	170.8	0	0	0	0	0	109.1	L96 L166 C189 Q190	L96-A200 HydrophobicContact CD1-CB 3.9Å; L96-A200 HydrophobicContact CD2-CB 4.22Å; L166-A200 HydrophobicContact CB-CB 4.16Å; L166-A200 CarbonylContact O-C 3.47Å; L166-A200 WeakPolarHBondContact O-CA 3.46Å; C189-A200 HydrophobicContact CB-CB 4.36Å; C189-A200 PolarHBondContact N-O 2.97Å; Q190-A200 HydrophobicContact CB-CB 4.33Å; Q190-A200 PolarHBondContact N-O 2.65Å; Q190-A200 PolarHBondContact O-N 3.11Å
201	G	95.5	Very high	90	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	171.1	175.9	0	0	0	0	0	112.6	Y165 L166 V167 F168 L187	Y165-G201 VanDerWaalsContact OH-CA 3.24Å; Y165-G201 WeakPolarHBondContact OH-CA 3.49Å; Y165-G201 PolarHBondContact OH-N 3.26Å; L166-G201 PolarHBondContact O-N 2.96Å; V167-G201 WeakPolarHBondContact CA-O 3.4Å; F168-G201 PolarHBondContact N-O 3.38Å; L187-G201 VanDerWaalsContact O-CA 3.25Å; L187-G201 WeakPolarHBondContact O-CA 3.13Å
202	Y	94.6	Very high	89.6	Confident	1 Å²	1	17.2 Å²	17.2	0%	0.004	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.6	-174.7	175.9	-90.1	0	0	0	108.9	F130 E132 F168 D170 Y185 A186 L187 N204	F130-Y202 HydrophobicContact CB-CD1 4.08Å; F130-Y202 HydrophobicContact CB-CD2 4.34Å; F130-Y202 HydrophobicContact CB-CE1 4.37Å; F130-Y202 HydrophobicContact CB-CG 4.04Å; F130-Y202 VanDerWaalsContact CD2-CB 3.48Å; F130-Y202 HydrophobicContact CD2-CD1 4.1Å; F130-Y202 AromaticContact CD2-CG 3.94Å; F130-Y202 HydrophobicContact CD2-CG 3.94Å; F130-Y202 HydrophobicContact CG-CD1 4.05Å; F130-Y202 HydrophobicContact CG-CG 4.18Å; E132-Y202 HydrophobicContact CG-CD2 4.16Å; E132-Y202 HydrophobicContact CG-CE2 3.62Å; F168-Y202 HydrophobicContact CB-CD2 3.72Å; D170-Y202 HydrophobicContact CB-CE2 3.67Å; D170-Y202 VanDerWaalsContact CB-OH 3.25Å; D170-Y202 WeakPolarHBondContact CB-OH 3.28Å; D170-Y202 VanDerWaalsContact CG-OH 3.26Å; D170-Y202 PolarHBondContact OD2-OH 2.93Å; Y185-Y202 HydrophobicContact CD2-CE1 4.43Å; Y185-Y202 HydrophobicContact CE2-CD1 4.17Å; Y185-Y202 AromaticContact CE2-CE1 3.61Å; Y185-Y202 HydrophobicContact CE2-CE1 3.61Å; A186-Y202 WeakPolarHBondContact CA-O 3.45Å; A186-Y202 VanDerWaalsContact CB-O 3.31Å; A186-Y202 WeakPolarHBondContact CB-O 3.49Å; L187-Y202 PolarHBondContact N-O 3.12Å; L187-Y202 VanDerWaalsContact N-O 3.12Å; L187-Y202 PolarHBondContact O-N 3.21Å; Y202-N204 HydrophobicContact CD1-CB 4.47Å; Y202-N204 HydrophobicContact CE1-CB 3.51Å
203	V	94.8	Very high	89.3	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.7	175.2	-178.3	0	0	0	0	108	V167 F168 D170 A186 F224 E227 M228 A231	V167-V203 HydrophobicContact CG2-CG2 4.11Å; F168-V203 PolarHBondContact O-N 2.94Å; D170-V203 PolarHBondContact N-O 2.83Å; A186-V203 HydrophobicContact CB-CB 4.18Å; A186-V203 HydrophobicContact CB-CG1 4.25Å; A186-V203 HydrophobicContact CB-CG2 3.75Å; V203-F224 HydrophobicContact CB-CE2 4.2Å; V203-F224 HydrophobicContact CB-CZ 4.45Å; V203-F224 HydrophobicContact CG1-CD2 3.95Å; V203-F224 HydrophobicContact CG1-CE2 3.61Å; V203-F224 HydrophobicContact CG1-CZ 4.23Å; V203-E227 HydrophobicContact CG1-CB 3.71Å; V203-E227 HydrophobicContact CG1-CG 4.28Å; V203-M228 HydrophobicContact CG2-CG 4.44Å; V203-M228 HydrophobicContact CG2-SD 3.57Å; V203-M228 VanDerWaalsContact CG2-SD 3.57Å; V203-A231 HydrophobicContact CG2-CB 4.33Å
204	N	92.8	Very high	89.2	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.4	172.2	-177.1	67.5	0	0	0	110.5	D170 A171 T172 C177 A184 Y185 Y202	D170-N204 VanDerWaalsContact C-OD1 3.3Å; D170-N204 HydrophobicContact CB-CB 4.11Å; D170-N204 WeakPolarHBondContact CB-OD1 3.3Å; D170-N204 WeakPolarHBondContact O-CA 3.42Å; A171-N204 WeakPolarHBondContact CA-OD1 3.36Å; A171-N204 PolarHBondContact N-OD1 3.35Å; T172-N204 PolarHBondContact N-OD1 3.48Å; T172-N204 PolarHBondContact O-ND2 2.92Å; T172-N204 PolarHBondContact O-OD1 2.87Å; C177-N204 PolarHBondContact SG-ND2 3.34Å; A184-N204 CarbonylContact C-O 3.58Å; A184-N204 WeakPolarHBondContact CA-O 3.47Å; A184-N204 VanDerWaalsContact CB-O 3.28Å; A184-N204 WeakPolarHBondContact CB-O 3.44Å; Y185-N204 HydrophobicContact CD1-CB 4.33Å; Y185-N204 HydrophobicContact CD2-CB 4.33Å; Y185-N204 HydrophobicContact CE1-CB 3.83Å; Y185-N204 WeakPolarHBondContact CE1-ND2 3.35Å; Y185-N204 HydrophobicContact CE2-CB 3.84Å; Y185-N204 PolarHBondContact N-O 2.9Å; Y185-N204 PolarHBondContact O-N 3.05Å; Y185-N204 PolarHBondContact OH-ND2 2.97Å; Y202-N204 HydrophobicContact CD1-CB 4.47Å; Y202-N204 HydrophobicContact CE1-CB 3.51Å
205	M	91.1	Very high	88.9	Confident	5 Å²	5	26.3 Å²	26.3	3%	0.025	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.9	171.8	-61	-169.6	82.9	0	0	109.9	I72 D170 A171 A184 P207 L210 T223 F224	I72-M205 HydrophobicContact CG2-CE 4.32Å; I72-M205 HydrophobicContact CG2-SD 4.27Å; D170-M205 PolarHBondContact O-N 3.35Å; A171-M205 VanDerWaalsContact CA-O 3.22Å; A171-M205 WeakPolarHBondContact CA-O 3.4Å; A171-M205 WeakPolarHBondContact CB-O 3.35Å; A184-M205 HydrophobicContact CB-CG 4.33Å; M205-P207 WeakPolarHBondContact O-CD 3.5Å; M205-L210 HydrophobicContact CB-CD1 3.77Å; M205-L210 HydrophobicContact CB-CD2 3.64Å; M205-L210 HydrophobicContact CB-CG 3.86Å; M205-L210 HydrophobicContact CE-CD2 3.42Å; M205-L210 VanDerWaalsContact CE-CD2 3.42Å; M205-L210 HydrophobicContact CG-CD2 4.19Å; M205-L210 HydrophobicContact SD-CD2 3.48Å; M205-L210 WeakPolarHBondContact SD-CD2 3.28Å; M205-T223 HydrophobicContact CE-CG2 4.4Å; M205-F224 HydrophobicContact CE-CB 4.38Å; M205-F224 HydrophobicContact CE-CD2 4.5Å; M205-F224 HydrophobicContact CG-CD2 3.98Å; M205-F224 HydrophobicContact CG-CE2 4.48Å; M205-F224 HydrophobicContact SD-CB 4.35Å; M205-F224 HydrophobicContact SD-CD2 3.49Å; M205-F224 WeakPolarHBondContact SD-CD2 3.46Å; M205-F224 HydrophobicContact SD-CE2 4.27Å; M205-F224 HydrophobicContact SD-CG 4.37Å
206	C	89.9	Confident	88.7	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.			trans	-64.9	124.3	-177.2	-63.7	0	0	0	0	110.8	C177 L182 L183 T208 Q209 L210	C177-C206 WeakPolarHBondContact CA-SG 3.41Å; C177-C206 HydrophobicContact CB-CB 3.6Å; C177-C206 WeakPolarHBondContact CB-SG 3.21Å; C177-C206 WeakPolarHBondContact SG-CA 3.32Å; C177-C206 WeakPolarHBondContact SG-CB 3.47Å; C177-C206 CovalentContact SG-SG 2.04Å; C177-C206 PolarHBondContact SG-SG 3.02Å; L182-C206 PolarHBondContact O-SG 3.27Å; L183-C206 VanDerWaalsContact O-CB 3.24Å; L183-C206 WeakPolarHBondContact O-CB 3.49Å; L183-C206 PolarHBondContact O-N 2.61Å; C206-T208 VanDerWaalsContact C-N 3.28Å; C206-T208 PolarHBondContact O-N 3.33Å; C206-T208 VanDerWaalsContact O-N 3.15Å; C206-Q209 HydrophobicContact CB-CG 4.37Å; C206-Q209 PolarHBondContact O-N 2.8Å; C206-L210 PolarHBondContact O-N 2.91Å
207	P	88.1	Confident	88.5	Confident	40 Å²	40	29 Å²	29	26%	0.26	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-34.1	-170.9	-31.9	39	0	0	0	115.6	A171 A173 M205 Q209 L210	A171-P207 HydrophobicContact CB-CG 4.32Å; A171-P207 WeakPolarHBondContact O-CG 3.13Å; A173-P207 HydrophobicContact CB-CG 4.28Å; M205-P207 WeakPolarHBondContact O-CD 3.5Å; P207-Q209 PolarHBondContact O-N 3.48Å; P207-L210 PolarHBondContact O-N 3.48Å
208	T	82.2	Confident	88.1	Confident	104 Å²	104	32.7 Å²	32.7	64%	0.638	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-21	-179.9	46.4	0	0	0	0	112.9	C206	C206-T208 VanDerWaalsContact C-N 3.28Å; C206-T208 PolarHBondContact O-N 3.33Å; C206-T208 VanDerWaalsContact O-N 3.15Å
209	Q	75.7	Confident	87.8	Confident	56 Å²	56	33 Å²	33	26%	0.262	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-7.6	-175.6	-55.3	-58.9	-21.3	0	0	112.7	H20 L183 C206 P207 S211	H20-Q209 PolarHBondContact CE1-OE1 2.82Å; L183-Q209 HydrophobicContact CD2-CB 3.58Å; L183-Q209 HydrophobicContact CD2-CG 3.74Å; C206-Q209 HydrophobicContact CB-CG 4.37Å; C206-Q209 PolarHBondContact O-N 2.8Å; P207-Q209 PolarHBondContact O-N 3.48Å; Q209-S211 PolarHBondContact O-N 2.91Å
210	L	81.3	Confident	87.5	Confident	19 Å²	19	33.4 Å²	33.4	10%	0.099	18%	0.183	C	C	.	.			trans	-76.9	112	175.8	-77.7	171.4	0	0	0	111	I68 A171 M205 C206 P207	I68-L210 HydrophobicContact CD1-CB 4.38Å; I68-L210 HydrophobicContact CD1-CD1 4.08Å; I68-L210 HydrophobicContact CG2-CD2 4.3Å; A171-L210 HydrophobicContact CB-CD1 3.67Å; M205-L210 HydrophobicContact CB-CD1 3.77Å; M205-L210 HydrophobicContact CB-CD2 3.64Å; M205-L210 HydrophobicContact CB-CG 3.86Å; M205-L210 HydrophobicContact CE-CD2 3.42Å; M205-L210 VanDerWaalsContact CE-CD2 3.42Å; M205-L210 HydrophobicContact CG-CD2 4.19Å; M205-L210 HydrophobicContact SD-CD2 3.48Å; M205-L210 WeakPolarHBondContact SD-CD2 3.28Å; C206-L210 PolarHBondContact O-N 2.91Å; P207-L210 PolarHBondContact O-N 3.48Å
211	S	83.4	Confident	87.3	Confident	25 Å²	25	35.6 Å²	35.6	18%	0.175	19%	0.194	C	C	.	.			trans	-126.5	134	175.5	-179.9	0	0	0	0	111.5	Q209 K213 D216 S220	Q209-S211 PolarHBondContact O-N 2.91Å; S211-K213 PolarHBondContact OG-N 3.39Å; S211-D216 VanDerWaalsContact CB-OD2 3.24Å; S211-D216 WeakPolarHBondContact CB-OD2 3.38Å; S211-D216 WeakPolarHBondContact OG-CB 3.42Å; S211-D216 PolarHBondContact OG-OD2 2.83Å; S211-S220 PolarHBondContact O-OG 3.25Å
212	I	85.7	Confident	87.2	Confident	32 Å²	32	36.4 Å²	36.4	16%	0.164	20%	0.2	C	C	.	.			trans	-103.2	10.4	175.9	59.3	165	0	0	0	112.2	L64 Q67 I68	L64-I212 HydrophobicContact CB-CD1 4.49Å; L64-I212 HydrophobicContact CD1-CD1 3.75Å; L64-I212 HydrophobicContact CD1-CG1 3.82Å; L64-I212 HydrophobicContact CD1-CG2 4.39Å; L64-I212 HydrophobicContact CD2-CD1 3.63Å; L64-I212 HydrophobicContact CG-CD1 4.16Å; Q67-I212 HydrophobicContact CB-CD1 4.27Å; Q67-I212 HydrophobicContact CB-CG2 4.23Å; Q67-I212 VanDerWaalsContact CD-CD1 3.47Å; I68-I212 HydrophobicContact CG1-CG2 3.88Å
213	K	85.7	Confident	87.1	Confident	142 Å²	142	37.1 Å²	37.1	62%	0.617	21%	0.205	S	C	*	.	S	Bend	trans	-61.5	141.8	171.9	-65.9	178	-172.3	165.4	0	108.2	S211 G215 D216 V217	S211-K213 PolarHBondContact OG-N 3.39Å; K213-G215 VanDerWaalsContact C-N 3.26Å; K213-G215 PolarHBondContact O-N 3.24Å; K213-G215 VanDerWaalsContact O-N 3.09Å; K213-D216 HydrophobicContact CB-CB 4.38Å; K213-D216 PolarHBondContact O-N 3.35Å; K213-V217 WeakPolarHBondContact O-CG2 3.25Å; K213-V217 PolarHBondContact O-N 2.83Å
214	P	79.9	Confident	87	Confident	94 Å²	94	37.1 Å²	37.1	61%	0.61	21%	0.205	S	C	*	.	H	α-helix	trans	-46.8	-46.1	-175.5	-31.6	35.9	0	0	0	114.3	D216 E493	P214-D216 VanDerWaalsContact C-N 3.31Å; P214-D216 PolarHBondContact O-N 2.74Å; P214-E493 HydrophobicContact CB-CB 4.11Å
215	G	77.5	Confident	87.2	Confident	19 Å²	19	37.8 Å²	37.8	20%	0.196	21%	0.208	C	C	.	.	H	α-helix	trans	-76.6	-6.5	178.7	0	0	0	0	0	116.7	K213 K350	K213-G215 VanDerWaalsContact C-N 3.26Å; K213-G215 PolarHBondContact O-N 3.24Å; K213-G215 VanDerWaalsContact O-N 3.09Å; G215-K350 WeakPolarHBondContact O-CE 3.4Å; G215-K350 PolarHBondContact O-NZ 2.87Å
216	D	85.4	Confident	87.4	Confident	47 Å²	47	38.1 Å²	38.1	25%	0.251	21%	0.209	S	C	.	.	H	α-helix	trans	-107.2	-17.6	176.6	-56.1	-21.8	0	0	0	111.9	S211 K213 P214 R218 S219 S220	S211-D216 VanDerWaalsContact CB-OD2 3.24Å; S211-D216 WeakPolarHBondContact CB-OD2 3.38Å; S211-D216 WeakPolarHBondContact OG-CB 3.42Å; S211-D216 PolarHBondContact OG-OD2 2.83Å; K213-D216 HydrophobicContact CB-CB 4.38Å; K213-D216 PolarHBondContact O-N 3.35Å; P214-D216 VanDerWaalsContact C-N 3.31Å; P214-D216 PolarHBondContact O-N 2.74Å; D216-R218 VanDerWaalsContact C-N 3.28Å; D216-R218 PolarHBondContact O-N 3.22Å; D216-S219 WeakPolarHBondContact O-CB 3.34Å; D216-S219 PolarHBondContact O-N 3.34Å; D216-S220 WeakPolarHBondContact O-CB 3.11Å; D216-S220 PolarHBondContact O-N 3.22Å; D216-S220 PolarHBondContact O-OG 3.41Å
217	V	90.1	Very high	87.7	Confident	23 Å²	23	38.2 Å²	38.2	14%	0.139	21%	0.21	C	C	.	.	H	α-helix	trans	-60.2	-41.2	176.1	169.2	0	0	0	0	110.6	K71 K213 S220 I221	K71-V217 HydrophobicContact CB-CG1 4.32Å; K213-V217 WeakPolarHBondContact O-CG2 3.25Å; K213-V217 PolarHBondContact O-N 2.83Å; V217-S220 PolarHBondContact O-N 2.72Å; V217-I221 HydrophobicContact CG1-CD1 3.89Å; V217-I221 HydrophobicContact CG1-CG1 4.42Å; V217-I221 WeakPolarHBondContact O-CG1 3.28Å; V217-I221 PolarHBondContact O-N 3.2Å
218	R	88.3	Confident	88.1	Confident	80 Å²	80	36.3 Å²	36.3	30%	0.302	20%	0.198	S	C	.	.	H	α-helix	trans	-57.7	-53.1	176.7	-175.3	-172.2	-60.9	-129.2	-4	111.7	D216 S220 I221 S222 D351 H491 E493	D216-R218 VanDerWaalsContact C-N 3.28Å; D216-R218 PolarHBondContact O-N 3.22Å; R218-S220 VanDerWaalsContact C-N 3.29Å; R218-S220 PolarHBondContact O-N 3.49Å; R218-I221 PolarHBondContact O-N 3.39Å; R218-S222 PolarHBondContact O-N 3.33Å; R218-D351 WeakPolarHBondContact CD-OD1 3.48Å; R218-D351 IonicContact NE-OD1 3.13Å; R218-D351 IonicContact NH1-OD1 3.9Å; R218-D351 IonicContact NH1-OD2 3.9Å; R218-H491 PolarHBondContact NH1-CD2 2.81Å; R218-H491 PolarHBondContact NH1-NE2 3.12Å; R218-H491 VanDerWaalsContact NH1-NE2 3.13Å; R218-E493 IonicContact CZ-OE1 2.68Å; R218-E493 IonicContact CZ-OE2 3.4Å; R218-E493 IonicContact NE-OE1 2.79Å; R218-E493 PolarHBondContact NE-OE1 3.17Å; R218-E493 VanDerWaalsContact NE-OE1 3.16Å; R218-E493 IonicContact NH2-OE1 3.57Å; R218-E493 PolarHBondContact NH2-OE1 2.94Å; R218-E493 IonicContact NH2-OE2 3.44Å; R218-E493 PolarHBondContact NH2-OE2 2.81Å
219	S	88.3	Confident	88.9	Confident	7 Å²	7	31.4 Å²	31.4	5%	0.049	17%	0.167	C	C	.	.	H	α-helix	trans	-54.3	-45.8	174.2	-62.7	0	0	0	0	111.7	D216 S222 T223 Y348 K350	D216-S219 WeakPolarHBondContact O-CB 3.34Å; D216-S219 PolarHBondContact O-N 3.34Å; S219-S222 WeakPolarHBondContact O-CB 3.31Å; S219-S222 PolarHBondContact O-N 3.48Å; S219-T223 PolarHBondContact O-N 3.33Å; S219-T223 PolarHBondContact O-OG1 3.11Å; S219-Y348 WeakPolarHBondContact CB-OH 3.48Å; S219-Y348 PolarHBondContact OG-OH 3.15Å; S219-K350 WeakPolarHBondContact OG-CG 3.22Å; S219-K350 PolarHBondContact OG-O 3.26Å
220	S	91.2	Very high	89.8	Confident	8 Å²	8	28.8 Å²	28.8	6%	0.056	16%	0.155	C	C	.	.	H	α-helix	trans	-67.7	-37	-178.1	-58.8	0	0	0	0	113.1	I72 S211 D216 V217 R218 F224	I72-S220 VanDerWaalsContact CD1-CB 3.44Å; I72-S220 WeakPolarHBondContact CG2-O 3.47Å; S211-S220 PolarHBondContact O-OG 3.25Å; D216-S220 WeakPolarHBondContact O-CB 3.11Å; D216-S220 PolarHBondContact O-N 3.22Å; D216-S220 PolarHBondContact O-OG 3.41Å; V217-S220 PolarHBondContact O-N 2.72Å; R218-S220 VanDerWaalsContact C-N 3.29Å; R218-S220 PolarHBondContact O-N 3.49Å; S220-F224 PolarHBondContact O-N 2.83Å
221	I	92.7	Very high	90.5	Very high	45 Å²	45	27.9 Å²	27.9	23%	0.231	15%	0.15	C	C	.	.	H	α-helix	trans	-61.4	-50.9	171.4	-71.9	165.3	0	0	0	109.5	K71 I72 S76 V217 R218 T223 F224 I225	K71-I221 WeakPolarHBondContact O-CD1 3.32Å; K71-I221 WeakPolarHBondContact O-CG1 3.37Å; I72-I221 HydrophobicContact CB-CG1 4.5Å; I72-I221 HydrophobicContact CG1-CG1 4.4Å; S76-I221 PolarHBondContact OG-O 3.5Å; V217-I221 HydrophobicContact CG1-CD1 3.89Å; V217-I221 HydrophobicContact CG1-CG1 4.42Å; V217-I221 WeakPolarHBondContact O-CG1 3.28Å; V217-I221 PolarHBondContact O-N 3.2Å; R218-I221 PolarHBondContact O-N 3.39Å; I221-T223 VanDerWaalsContact C-N 3.34Å; I221-T223 PolarHBondContact O-N 3.2Å; I221-F224 PolarHBondContact O-N 3.47Å; I221-F224 VanDerWaalsContact O-N 3.13Å; I221-I225 HydrophobicContact CG2-CD1 3.75Å; I221-I225 HydrophobicContact CG2-CG1 4.33Å; I221-I225 WeakPolarHBondContact O-CG1 3.45Å; I221-I225 PolarHBondContact O-N 3.34Å
222	S	92.6	Very high	91.2	Very high	17 Å²	17	26.7 Å²	26.7	12%	0.119	14%	0.142	C	C	.	.	H	α-helix	trans	-54.1	-49.4	177.3	160.1	0	0	0	0	111.7	R218 S219 F224 I225 H226 S352	R218-S222 PolarHBondContact O-N 3.33Å; S219-S222 WeakPolarHBondContact O-CB 3.31Å; S219-S222 PolarHBondContact O-N 3.48Å; S222-F224 PolarHBondContact O-N 3Å; S222-I225 PolarHBondContact O-N 2.79Å; S222-H226 WeakPolarHBondContact O-CB 3.25Å; S222-H226 PolarHBondContact O-N 2.89Å; S222-S352 WeakPolarHBondContact OG-CB 3.36Å; S222-S352 PolarHBondContact OG-OG 2.97Å
223	T	92.1	Very high	91.6	Very high	17 Å²	17	25.2 Å²	25.2	10%	0.104	13%	0.134	C	C	.	.	H	α-helix	trans	-57.9	-46.9	175	-58.1	0	0	0	0	111.6	L183 A184 M205 S219 I221 I225 H226 E227	L183-T223 HydrophobicContact CB-CG2 4.14Å; A184-T223 HydrophobicContact CB-CG2 3.88Å; M205-T223 HydrophobicContact CE-CG2 4.4Å; S219-T223 PolarHBondContact O-N 3.33Å; S219-T223 PolarHBondContact O-OG1 3.11Å; I221-T223 VanDerWaalsContact C-N 3.34Å; I221-T223 PolarHBondContact O-N 3.2Å; T223-I225 PolarHBondContact O-N 3.15Å; T223-H226 WeakPolarHBondContact O-CB 3.49Å; T223-H226 PolarHBondContact O-N 3.41Å; T223-E227 HydrophobicContact CG2-CG 4.42Å; T223-E227 WeakPolarHBondContact O-CG 3.38Å; T223-E227 PolarHBondContact O-N 3.4Å
224	F	94.2	Very high	92.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.6	-35.1	-179.7	-164.6	-85.5	0	0	0	112.8	I72 V73 L77 V169 V203 M205 S220 I221 S222 H226 E227 M228	I72-F224 HydrophobicContact CG2-CB 4Å; V73-F224 HydrophobicContact CB-CZ 4.33Å; V73-F224 HydrophobicContact CG1-CE1 4.04Å; V73-F224 HydrophobicContact CG1-CE2 4.36Å; V73-F224 HydrophobicContact CG1-CZ 3.73Å; V73-F224 HydrophobicContact CG2-CD2 4.37Å; V73-F224 HydrophobicContact CG2-CE2 3.98Å; V73-F224 HydrophobicContact CG2-CZ 4.18Å; L77-F224 HydrophobicContact CD2-CE1 3.97Å; L77-F224 HydrophobicContact CG-CE1 4.14Å; V169-F224 HydrophobicContact CG1-CE2 3.99Å; V169-F224 HydrophobicContact CG1-CZ 4.29Å; V169-F224 HydrophobicContact CG2-CE2 4.35Å; V169-F224 HydrophobicContact CG2-CZ 3.86Å; V203-F224 HydrophobicContact CB-CE2 4.2Å; V203-F224 HydrophobicContact CB-CZ 4.45Å; V203-F224 HydrophobicContact CG1-CD2 3.95Å; V203-F224 HydrophobicContact CG1-CE2 3.61Å; V203-F224 HydrophobicContact CG1-CZ 4.23Å; M205-F224 HydrophobicContact CE-CB 4.38Å; M205-F224 HydrophobicContact CE-CD2 4.5Å; M205-F224 HydrophobicContact CG-CD2 3.98Å; M205-F224 HydrophobicContact CG-CE2 4.48Å; M205-F224 HydrophobicContact SD-CB 4.35Å; M205-F224 HydrophobicContact SD-CD2 3.49Å; M205-F224 WeakPolarHBondContact SD-CD2 3.46Å; M205-F224 HydrophobicContact SD-CE2 4.27Å; M205-F224 HydrophobicContact SD-CG 4.37Å; S220-F224 PolarHBondContact O-N 2.83Å; I221-F224 PolarHBondContact O-N 3.47Å; I221-F224 VanDerWaalsContact O-N 3.13Å; S222-F224 PolarHBondContact O-N 3Å; F224-H226 VanDerWaalsContact C-N 3.34Å; F224-E227 PolarHBondContact O-N 3.22Å; F224-M228 HydrophobicContact CD1-CG 3.73Å; F224-M228 HydrophobicContact CE1-CG 3.47Å; F224-M228 VanDerWaalsContact CE1-CG 3.47Å; F224-M228 HydrophobicContact CE1-SD 3.98Å; F224-M228 HydrophobicContact CZ-CG 4.29Å; F224-M228 HydrophobicContact CZ-SD 4.33Å; F224-M228 WeakPolarHBondContact O-CB 3.31Å; F224-M228 VanDerWaalsContact O-CG 3.3Å; F224-M228 WeakPolarHBondContact O-CG 3.46Å; F224-M228 PolarHBondContact O-N 2.81Å
225	I	96.4	Very high	92.7	Very high	14 Å²	14	14 Å²	14	7%	0.072	8%	0.076	C	C	.	.	H	α-helix	trans	-62.4	-43.7	172.9	-68.5	174.4	0	0	0	110.3	Y79 W80 I221 S222 T223 M228 A229 L343 V354	Y79-I225 HydrophobicContact CD1-CD1 4.37Å; Y79-I225 HydrophobicContact CD1-CG2 4.16Å; Y79-I225 HydrophobicContact CE1-CG2 4.42Å; Y79-I225 HydrophobicContact CG-CD1 4.16Å; W80-I225 HydrophobicContact CZ2-CG2 3.78Å; W80-I225 PolarHBondContact NE1-O 2.87Å; W80-I225 VanDerWaalsContact NE1-O 3.11Å; I221-I225 HydrophobicContact CG2-CD1 3.75Å; I221-I225 HydrophobicContact CG2-CG1 4.33Å; I221-I225 WeakPolarHBondContact O-CG1 3.45Å; I221-I225 PolarHBondContact O-N 3.34Å; S222-I225 PolarHBondContact O-N 2.79Å; T223-I225 PolarHBondContact O-N 3.15Å; I225-M228 PolarHBondContact O-N 3.4Å; I225-A229 PolarHBondContact O-N 3.18Å; I225-L343 HydrophobicContact CB-CD1 4.29Å; I225-L343 HydrophobicContact CG2-CD1 3.91Å; I225-L343 HydrophobicContact CG2-CD2 3.91Å; I225-V354 HydrophobicContact CG2-CG2 3.82Å
226	H	95.6	Very high	93.3	Very high	11 Å²	11	13.7 Å²	13.7	5%	0.051	7%	0.071	C	C	.	.	H	α-helix	trans	-59.3	-50.8	175.1	172.2	105.1	0	0	0	111.7	C22 S222 T223 F224 M228 A229 H230 H333 L343	C22-H226 PolarHBondContact SG-NE2 2.79Å; C22-H226 VanDerWaalsContact SG-NE2 3.4Å; S222-H226 WeakPolarHBondContact O-CB 3.25Å; S222-H226 PolarHBondContact O-N 2.89Å; T223-H226 WeakPolarHBondContact O-CB 3.49Å; T223-H226 PolarHBondContact O-N 3.41Å; F224-H226 VanDerWaalsContact C-N 3.34Å; H226-M228 VanDerWaalsContact C-N 3.3Å; H226-M228 PolarHBondContact O-N 3.29Å; H226-A229 WeakPolarHBondContact O-CA 2.97Å; H226-A229 WeakPolarHBondContact O-CB 3.38Å; H226-A229 PolarHBondContact O-N 2.81Å; H226-H230 AromaticContact CD2-CD2 3.82Å; H226-H230 AromaticContact CD2-NE2 3.84Å; H226-H230 AromaticContact CE1-NE2 3.88Å; H226-H230 AromaticContact NE2-CD2 3.7Å; H226-H230 AromaticContact NE2-NE2 3.23Å; H226-H230 PolarHBondContact NE2-NE2 3.26Å; H226-H230 PolarHBondContact O-N 2.95Å; H226-H333 AromaticContact CE1-CD2 3.61Å; H226-H333 AromaticContact CE1-NE2 3.55Å; H226-H333 AromaticContact NE2-NE2 3.51Å; H226-L343 HydrophobicContact CB-CD1 3.91Å; H226-L343 HydrophobicContact CB-CG 4.2Å; H226-L343 PolarHBondContact ND1-O 2.9Å
227	E	95.3	Very high	93.5	Very high	3 Å²	3	12.5 Å²	12.5	1%	0.014	7%	0.066	C	C	.	.	H	α-helix	trans	-61.8	-39.6	177.8	-66.9	-45	150.7	0	0	112.3	A184 Y185 A186 V203 T223 F224 A229 H230 A231	A184-E227 HydrophobicContact CB-CG 3.5Å; Y185-E227 WeakPolarHBondContact CA-OE2 3.42Å; A186-E227 HydrophobicContact CB-CB 3.65Å; A186-E227 HydrophobicContact CB-CG 4.42Å; A186-E227 WeakPolarHBondContact CB-O 3.16Å; A186-E227 PolarHBondContact N-OE2 2.85Å; V203-E227 HydrophobicContact CG1-CB 3.71Å; V203-E227 HydrophobicContact CG1-CG 4.28Å; T223-E227 HydrophobicContact CG2-CG 4.42Å; T223-E227 WeakPolarHBondContact O-CG 3.38Å; T223-E227 PolarHBondContact O-N 3.4Å; F224-E227 PolarHBondContact O-N 3.22Å; E227-A229 PolarHBondContact O-N 2.88Å; E227-H230 WeakPolarHBondContact O-CB 3.29Å; E227-H230 PolarHBondContact O-N 2.98Å; E227-H230 IonicContact OE2-CD2 2.85Å; E227-A231 PolarHBondContact O-N 3.34Å
228	M	97.2	Very high	93.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.4	-32.8	172.9	-77.9	-58.7	-48.2	0	0	112.3	F51 L77 W80 Y165 V167 V203 F224 I225 H226 H230 A231 L232	F51-M228 HydrophobicContact CD1-CE 4.13Å; F51-M228 HydrophobicContact CE1-CE 3.38Å; F51-M228 HydrophobicContact CZ-CE 3.72Å; L77-M228 HydrophobicContact CD2-CE 3.92Å; L77-M228 HydrophobicContact CD2-CG 4.1Å; L77-M228 HydrophobicContact CD2-SD 3.81Å; W80-M228 VanDerWaalsContact NE1-CB 3.32Å; Y165-M228 HydrophobicContact CE1-CE 4.5Å; V167-M228 HydrophobicContact CG2-CE 4.3Å; V167-M228 HydrophobicContact CG2-SD 3.76Å; V203-M228 HydrophobicContact CG2-CG 4.44Å; V203-M228 HydrophobicContact CG2-SD 3.57Å; V203-M228 VanDerWaalsContact CG2-SD 3.57Å; F224-M228 HydrophobicContact CD1-CG 3.73Å; F224-M228 HydrophobicContact CE1-CG 3.47Å; F224-M228 VanDerWaalsContact CE1-CG 3.47Å; F224-M228 HydrophobicContact CE1-SD 3.98Å; F224-M228 HydrophobicContact CZ-CG 4.29Å; F224-M228 HydrophobicContact CZ-SD 4.33Å; F224-M228 WeakPolarHBondContact O-CB 3.31Å; F224-M228 VanDerWaalsContact O-CG 3.3Å; F224-M228 WeakPolarHBondContact O-CG 3.46Å; F224-M228 PolarHBondContact O-N 2.81Å; I225-M228 PolarHBondContact O-N 3.4Å; H226-M228 VanDerWaalsContact C-N 3.3Å; H226-M228 PolarHBondContact O-N 3.29Å; M228-H230 VanDerWaalsContact C-N 3.34Å; M228-H230 PolarHBondContact O-N 3.44Å; M228-A231 HydrophobicContact CE-CB 4.49Å; M228-A231 PolarHBondContact O-N 2.88Å; M228-L232 HydrophobicContact CE-CD1 4.46Å; M228-L232 HydrophobicContact CE-CG 4.3Å; M228-L232 VanDerWaalsContact O-CB 3.28Å; M228-L232 WeakPolarHBondContact O-CB 3.19Å; M228-L232 WeakPolarHBondContact O-CD1 3.4Å; M228-L232 WeakPolarHBondContact O-CG 3.36Å; M228-L232 PolarHBondContact O-N 3.23Å
229	A	97.9	Very high	94	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-61.6	-43	174.2	0	0	0	0	0	111.5	W80 I225 H226 E227 L232 G233 F234 L343 M344 F362	W80-A229 HydrophobicContact CH2-CB 4.19Å; W80-A229 HydrophobicContact CZ2-CB 3.76Å; I225-A229 PolarHBondContact O-N 3.18Å; H226-A229 WeakPolarHBondContact O-CA 2.97Å; H226-A229 WeakPolarHBondContact O-CB 3.38Å; H226-A229 PolarHBondContact O-N 2.81Å; E227-A229 PolarHBondContact O-N 2.88Å; A229-L232 PolarHBondContact O-N 2.73Å; A229-G233 PolarHBondContact O-N 3.18Å; A229-G233 VanDerWaalsContact O-N 3.12Å; A229-F234 WeakPolarHBondContact O-CB 3.3Å; A229-F234 PolarHBondContact O-N 2.87Å; A229-L343 HydrophobicContact CB-CD2 4.35Å; A229-M344 HydrophobicContact CB-CE 4.26Å; A229-M344 HydrophobicContact CB-SD 3.48Å; A229-M344 WeakPolarHBondContact CB-SD 3.43Å; A229-F362 HydrophobicContact CB-CE2 4.08Å; A229-F362 HydrophobicContact CB-CZ 3.82Å
230	H	95.2	Very high	94.3	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.009	4%	0.044	C	C	.	.	H	α-helix	trans	-61.4	-46.5	172.6	-71.6	-53.1	0	0	0	112.1	A186 H226 E227 M228 L232 G233 F234 V332 H333 M344	A186-H230 HydrophobicContact CB-CB 4.38Å; A186-H230 WeakPolarHBondContact O-CB 3.3Å; H226-H230 AromaticContact CD2-CD2 3.82Å; H226-H230 AromaticContact CD2-NE2 3.84Å; H226-H230 AromaticContact CE1-NE2 3.88Å; H226-H230 AromaticContact NE2-CD2 3.7Å; H226-H230 AromaticContact NE2-NE2 3.23Å; H226-H230 PolarHBondContact NE2-NE2 3.26Å; H226-H230 PolarHBondContact O-N 2.95Å; E227-H230 WeakPolarHBondContact O-CB 3.29Å; E227-H230 PolarHBondContact O-N 2.98Å; E227-H230 IonicContact OE2-CD2 2.85Å; M228-H230 VanDerWaalsContact C-N 3.34Å; M228-H230 PolarHBondContact O-N 3.44Å; H230-L232 VanDerWaalsContact C-N 3.26Å; H230-L232 PolarHBondContact O-N 2.98Å; H230-G233 PolarHBondContact O-N 3.22Å; H230-F234 PolarHBondContact ND1-O 3.44Å; H230-V332 PolarHBondContact CE1-O 2.83Å; H230-H333 AromaticContact CE1-CD2 3.87Å; H230-H333 AromaticContact CE1-NE2 3.51Å; H230-H333 AromaticContact NE2-CD2 3.89Å; H230-H333 AromaticContact NE2-NE2 3.21Å; H230-H333 PolarHBondContact NE2-NE2 3.45Å; H230-M344 WeakPolarHBondContact CE1-CE 3.29Å
231	A	95.8	Very high	94.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-61.5	-34.4	177.2	0	0	0	0	0	112.6	Y165 A186 V203 E227 M228 G233	Y165-A231 WeakPolarHBondContact OH-CB 3.2Å; Y165-A231 PolarHBondContact OH-O 3.32Å; A186-A231 HydrophobicContact CB-CB 4.28Å; V203-A231 HydrophobicContact CG2-CB 4.33Å; E227-A231 PolarHBondContact O-N 3.34Å; M228-A231 HydrophobicContact CE-CB 4.49Å; M228-A231 PolarHBondContact O-N 2.88Å; A231-G233 VanDerWaalsContact C-N 3.26Å; A231-G233 PolarHBondContact O-N 3.2Å
232	L	97.7	Very high	94.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-78.3	-9.9	177.5	-71.2	165.2	0	0	0	113.5	L49 F51 W80 L84 Y165 P198 M228 A229 H230 F362 Y368	L49-L232 HydrophobicContact CD2-CD2 3.95Å; F51-L232 HydrophobicContact CE1-CD2 4.19Å; F51-L232 HydrophobicContact CZ-CD1 4.42Å; F51-L232 HydrophobicContact CZ-CD2 4.2Å; W80-L232 HydrophobicContact CB-CD1 4.29Å; W80-L232 HydrophobicContact CD2-CD1 3.61Å; W80-L232 HydrophobicContact CE3-CD1 3.89Å; W80-L232 HydrophobicContact CG-CD1 3.8Å; L84-L232 HydrophobicContact CD1-CD1 3.93Å; Y165-L232 HydrophobicContact CD2-CD2 3.9Å; Y165-L232 HydrophobicContact CE2-CD2 3.86Å; P198-L232 WeakPolarHBondContact CG-O 3.35Å; M228-L232 HydrophobicContact CE-CD1 4.46Å; M228-L232 HydrophobicContact CE-CG 4.3Å; M228-L232 VanDerWaalsContact O-CB 3.28Å; M228-L232 WeakPolarHBondContact O-CB 3.19Å; M228-L232 WeakPolarHBondContact O-CD1 3.4Å; M228-L232 WeakPolarHBondContact O-CG 3.36Å; M228-L232 PolarHBondContact O-N 3.23Å; A229-L232 PolarHBondContact O-N 2.73Å; H230-L232 VanDerWaalsContact C-N 3.26Å; H230-L232 PolarHBondContact O-N 2.98Å; L232-F362 HydrophobicContact CB-CE1 3.6Å; L232-F362 HydrophobicContact CB-CZ 4.13Å; L232-Y368 PolarHBondContact O-OH 3.36Å
233	G	95.4	Very high	95.1	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	122.8	9.9	165.4	0	0	0	0	0	116.1	A229 H230 A231 S235 S238 Y361	A229-G233 PolarHBondContact O-N 3.18Å; A229-G233 VanDerWaalsContact O-N 3.12Å; H230-G233 PolarHBondContact O-N 3.22Å; A231-G233 VanDerWaalsContact C-N 3.26Å; A231-G233 PolarHBondContact O-N 3.2Å; G233-S235 PolarHBondContact O-N 3.3Å; G233-S238 WeakPolarHBondContact O-CB 3.02Å; G233-S238 PolarHBondContact O-OG 3.27Å; G233-Y361 PolarHBondContact O-OH 2.75Å
234	F	96.2	Very high	95.3	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.			trans	-69.8	77.3	165.5	-161.1	-66.2	0	0	0	109.2	A229 H230 F298 V332 F334 M344 Y361 F362	A229-F234 WeakPolarHBondContact O-CB 3.3Å; A229-F234 PolarHBondContact O-N 2.87Å; H230-F234 PolarHBondContact ND1-O 3.44Å; F234-F298 HydrophobicContact CE1-CE2 4.37Å; F234-F298 HydrophobicContact CE2-CE2 4.37Å; F234-F298 AromaticContact CZ-CE2 3.86Å; F234-F298 HydrophobicContact CZ-CE2 3.86Å; F234-F298 HydrophobicContact CZ-CZ 4.46Å; F234-V332 WeakPolarHBondContact CD1-O 3.27Å; F234-V332 WeakPolarHBondContact CE1-O 3.45Å; F234-F334 HydrophobicContact CE2-CE1 4.04Å; F234-F334 AromaticContact CE2-CE2 3.79Å; F234-F334 HydrophobicContact CE2-CE2 3.79Å; F234-F334 AromaticContact CE2-CZ 3.5Å; F234-F334 HydrophobicContact CE2-CZ 3.5Å; F234-F334 HydrophobicContact CZ-CD1 4.08Å; F234-F334 HydrophobicContact CZ-CD2 4.2Å; F234-F334 AromaticContact CZ-CE1 3.76Å; F234-F334 HydrophobicContact CZ-CE1 3.76Å; F234-F334 AromaticContact CZ-CE2 3.87Å; F234-F334 HydrophobicContact CZ-CE2 3.87Å; F234-F334 HydrophobicContact CZ-CG 4.29Å; F234-F334 AromaticContact CZ-CZ 3.65Å; F234-F334 HydrophobicContact CZ-CZ 3.65Å; F234-M344 HydrophobicContact CB-CE 4.16Å; F234-M344 HydrophobicContact CD1-CE 3.62Å; F234-M344 HydrophobicContact CD2-CE 4.45Å; F234-M344 HydrophobicContact CD2-CG 3.99Å; F234-M344 HydrophobicContact CE1-CB 4.26Å; F234-M344 HydrophobicContact CE1-CE 4.11Å; F234-M344 HydrophobicContact CE2-CB 4.12Å; F234-M344 HydrophobicContact CE2-CG 3.93Å; F234-M344 HydrophobicContact CG-CE 3.83Å; F234-M344 HydrophobicContact CG-CG 4.32Å; F234-M344 HydrophobicContact CZ-CB 3.93Å; F234-M344 HydrophobicContact CZ-CG 4.2Å; F234-Y361 HydrophobicContact CB-CD1 4.19Å; F234-Y361 HydrophobicContact CB-CE1 3.81Å; F234-Y361 AromaticContact CD2-CD1 3.35Å; F234-Y361 HydrophobicContact CD2-CD1 3.35Å; F234-Y361 AromaticContact CD2-CD2 3.94Å; F234-Y361 HydrophobicContact CD2-CD2 3.94Å; F234-Y361 AromaticContact CD2-CE1 3.71Å; F234-Y361 HydrophobicContact CD2-CE1 3.71Å; F234-Y361 HydrophobicContact CD2-CE2 4.24Å; F234-Y361 AromaticContact CD2-CG 3.49Å; F234-Y361 HydrophobicContact CD2-CG 3.49Å; F234-Y361 VanDerWaalsContact CD2-CG 3.49Å; F234-Y361 HydrophobicContact CE2-CD1 4.06Å; F234-Y361 AromaticContact CE2-CD2 3.89Å; F234-Y361 HydrophobicContact CE2-CD2 3.89Å; F234-Y361 HydrophobicContact CE2-CE2 4.42Å; F234-Y361 AromaticContact CE2-CG 3.68Å; F234-Y361 HydrophobicContact CE2-CG 3.68Å; F234-Y361 HydrophobicContact CG-CD1 4.09Å; F234-Y361 AromaticContact CG-CE1 3.98Å; F234-Y361 HydrophobicContact CG-CE1 3.98Å; F234-Y361 HydrophobicContact CG-CG 4.48Å; F234-F362 HydrophobicContact CB-CZ 4.32Å
235	S	91.8	Very high	95.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-158.9	149	-173.6	178.5	0	0	0	0	111.2	L187 G233 T237 S238 Y239	L187-S235 VanDerWaalsContact CD2-OG 3.26Å; L187-S235 WeakPolarHBondContact CD2-OG 3.12Å; G233-S235 PolarHBondContact O-N 3.3Å; S235-T237 PolarHBondContact O-N 3.43Å; S235-T237 PolarHBondContact OG-OG1 2.95Å; S235-S238 WeakPolarHBondContact O-CA 3.25Å; S235-S238 VanDerWaalsContact O-CB 3.3Å; S235-S238 WeakPolarHBondContact O-CB 3.48Å; S235-S238 PolarHBondContact O-N 3.35Å; S235-Y239 WeakPolarHBondContact O-CD1 3.1Å; S235-Y239 WeakPolarHBondContact O-CE1 3Å; S235-Y239 PolarHBondContact O-N 2.9Å
236	S	89.8	Confident	95	Very high	13 Å²	13	18 Å²	18	9%	0.091	9%	0.09	C	C	.	.	H	α-helix	trans	-56.2	-33.1	177.2	56.7	0	0	0	0	113	S238 Y239 I269	S236-S238 PolarHBondContact O-N 3.36Å; S236-Y239 PolarHBondContact O-N 3.24Å; S236-I269 WeakPolarHBondContact O-CG2 3.41Å
237	T	88.6	Confident	94.9	Very high	23 Å²	23	17.8 Å²	17.8	14%	0.141	9%	0.09	C	C	.	.	H	α-helix	trans	-66.8	-18.5	175.8	59.7	0	0	0	0	113.7	T27 S235 F241	T27-T237 HydrophobicContact CG2-CG2 3.35Å; S235-T237 PolarHBondContact O-N 3.43Å; S235-T237 PolarHBondContact OG-OG1 2.95Å; T237-F241 WeakPolarHBondContact O-CD2 3.43Å
238	S	93.9	Very high	94.9	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.014	11%	0.11	C	C	.	.	H	α-helix	trans	-98.3	-26.1	-177.6	-71.8	0	0	0	0	112.8	G233 S235 S236 A240 F241 L242	G233-S238 WeakPolarHBondContact O-CB 3.02Å; G233-S238 PolarHBondContact O-OG 3.27Å; S235-S238 WeakPolarHBondContact O-CA 3.25Å; S235-S238 VanDerWaalsContact O-CB 3.3Å; S235-S238 WeakPolarHBondContact O-CB 3.48Å; S235-S238 PolarHBondContact O-N 3.35Å; S236-S238 PolarHBondContact O-N 3.36Å; S238-A240 VanDerWaalsContact C-N 3.29Å; S238-A240 PolarHBondContact O-N 2.91Å; S238-A240 VanDerWaalsContact O-N 3.15Å; S238-F241 WeakPolarHBondContact O-CA 3.48Å; S238-F241 WeakPolarHBondContact O-CB 3.26Å; S238-F241 PolarHBondContact O-N 3.48Å; S238-L242 WeakPolarHBondContact O-CD1 3.47Å; S238-L242 PolarHBondContact O-N 3.38Å
239	Y	95.7	Very high	94.9	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-54.9	-38.9	-171.6	-63.9	-10.9	0	0	0	114.4	S235 S236 F241 L242 V277 F298 L321 F331 Y361	S235-Y239 WeakPolarHBondContact O-CD1 3.1Å; S235-Y239 WeakPolarHBondContact O-CE1 3Å; S235-Y239 PolarHBondContact O-N 2.9Å; S236-Y239 PolarHBondContact O-N 3.24Å; Y239-F241 PolarHBondContact O-N 2.97Å; Y239-L242 VanDerWaalsContact CA-CD1 3.49Å; Y239-V277 HydrophobicContact CD2-CG2 4.03Å; Y239-V277 HydrophobicContact CE2-CG2 4.45Å; Y239-F298 HydrophobicContact CD1-CE1 4.04Å; Y239-F298 HydrophobicContact CD1-CZ 4.22Å; Y239-F298 HydrophobicContact CD2-CE1 4.31Å; Y239-F298 AromaticContact CE1-CE1 3.8Å; Y239-F298 HydrophobicContact CE1-CE1 3.8Å; Y239-F298 AromaticContact CE1-CZ 3.51Å; Y239-F298 HydrophobicContact CE1-CZ 3.51Å; Y239-F298 HydrophobicContact CE2-CE1 4.07Å; Y239-F298 HydrophobicContact CE2-CZ 4.08Å; Y239-F298 HydrophobicContact CG-CE1 4.31Å; Y239-F298 AromaticContact CZ-CE1 3.83Å; Y239-F298 AromaticContact CZ-CZ 3.44Å; Y239-F298 VanDerWaalsContact CZ-CZ 3.44Å; Y239-L321 HydrophobicContact CE2-CD1 4.34Å; Y239-F331 HydrophobicContact CD2-CD1 4.35Å; Y239-F331 AromaticContact CD2-CE1 3.67Å; Y239-F331 HydrophobicContact CD2-CE1 3.67Å; Y239-F331 AromaticContact CD2-CZ 3.9Å; Y239-F331 HydrophobicContact CD2-CZ 3.9Å; Y239-F331 AromaticContact CE2-CD1 3.97Å; Y239-F331 HydrophobicContact CE2-CD1 3.97Å; Y239-F331 AromaticContact CE2-CE1 3.75Å; Y239-F331 HydrophobicContact CE2-CE1 3.75Å; Y239-F331 HydrophobicContact CE2-CG 4.48Å; Y239-F331 HydrophobicContact CE2-CZ 4.1Å; Y239-F331 VanDerWaalsContact CE2-O 3.23Å; Y239-F331 WeakPolarHBondContact CE2-O 3.17Å; Y239-F331 PolarHBondContact OH-O 3.12Å; Y239-Y361 HydrophobicContact CD1-CE2 4.41Å; Y239-Y361 WeakPolarHBondContact CD1-OH 3.38Å; Y239-Y361 HydrophobicContact CE1-CE2 4.08Å; Y239-Y361 WeakPolarHBondContact CE1-OH 3.33Å
240	A	95.8	Very high	94.9	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.008	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-16.2	177.1	0	0	0	0	0	113.7	S238 T251 P260 Y270 A272	S238-A240 VanDerWaalsContact C-N 3.29Å; S238-A240 PolarHBondContact O-N 2.91Å; S238-A240 VanDerWaalsContact O-N 3.15Å; A240-T251 WeakPolarHBondContact CA-OG1 3.43Å; A240-T251 WeakPolarHBondContact O-CB 3.3Å; A240-T251 PolarHBondContact O-OG1 3.34Å; A240-P260 HydrophobicContact CB-CB 3.92Å; A240-P260 HydrophobicContact CB-CG 3.76Å; A240-Y270 WeakPolarHBondContact CB-O 3.43Å; A240-A272 HydrophobicContact CB-CB 4.37Å
241	F	96	Very high	95	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-3.7	-177	-66.2	-89.3	0	0	0	114.1	I30 H32 L191 D196 T237 S238 Y239 L259 P260 Y270 W367	I30-F241 HydrophobicContact CD1-CD2 4.08Å; I30-F241 HydrophobicContact CD1-CE2 3.22Å; I30-F241 HydrophobicContact CD1-CZ 3.54Å; H32-F241 AromaticContact NE2-CE1 3.89Å; L191-F241 HydrophobicContact CD1-CB 4.47Å; L191-F241 HydrophobicContact CD1-CD1 3.99Å; L191-F241 HydrophobicContact CD1-CD2 4.45Å; L191-F241 HydrophobicContact CD1-CE1 4.35Å; L191-F241 HydrophobicContact CD1-CG 4.04Å; D196-F241 HydrophobicContact CB-CB 3.85Å; D196-F241 HydrophobicContact CB-CD1 4.04Å; D196-F241 HydrophobicContact CB-CG 4.4Å; T237-F241 WeakPolarHBondContact O-CD2 3.43Å; S238-F241 WeakPolarHBondContact O-CA 3.48Å; S238-F241 WeakPolarHBondContact O-CB 3.26Å; S238-F241 PolarHBondContact O-N 3.48Å; Y239-F241 PolarHBondContact O-N 2.97Å; F241-L259 HydrophobicContact CE1-CD2 4.31Å; F241-L259 HydrophobicContact CZ-CD2 4.49Å; F241-P260 HydrophobicContact CD1-CG 4.18Å; F241-P260 HydrophobicContact CD2-CG 4.34Å; F241-P260 HydrophobicContact CE1-CG 3.81Å; F241-P260 HydrophobicContact CE2-CG 3.96Å; F241-P260 HydrophobicContact CG-CG 4.44Å; F241-P260 HydrophobicContact CZ-CG 3.69Å; F241-Y270 AromaticContact CE2-CD2 3.59Å; F241-Y270 HydrophobicContact CE2-CD2 3.59Å; F241-Y270 HydrophobicContact CE2-CE2 4.34Å; F241-Y270 HydrophobicContact CE2-CG 4.14Å; F241-Y270 AromaticContact CZ-CD2 3.55Å; F241-Y270 HydrophobicContact CZ-CD2 3.55Å; F241-Y270 AromaticContact CZ-CE2 3.87Å; F241-Y270 HydrophobicContact CZ-CE2 3.87Å; F241-Y270 HydrophobicContact CZ-CG 4.19Å; F241-W367 HydrophobicContact CB-CZ2 4.35Å
242	L	98	Very high	95.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.			trans	-59.4	152.3	175.3	-83.3	60.7	0	0	0	111.7	S238 Y239 R250 T276 L300 Y361 W367	S238-L242 WeakPolarHBondContact O-CD1 3.47Å; S238-L242 PolarHBondContact O-N 3.38Å; Y239-L242 VanDerWaalsContact CA-CD1 3.49Å; L242-R250 PolarHBondContact O-N 3.2Å; L242-T276 HydrophobicContact CD2-CG2 3.96Å; L242-L300 HydrophobicContact CD2-CD1 3.86Å; L242-L300 HydrophobicContact CD2-CD2 3.96Å; L242-Y361 HydrophobicContact CD2-CE2 4.32Å; L242-W367 HydrophobicContact CD1-CH2 4.22Å; L242-W367 HydrophobicContact CD1-CZ2 4.34Å
243	R	97.7	Very high	95	Very high	17 Å²	17	28.7 Å²	28.7	6%	0.064	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-123.4	151.3	-179.1	-66.5	178.1	173.7	-99.7	0.6	111	G194 T195 D196 G247 T248 R250 T365 G366	G194-R243 VanDerWaalsContact O-CZ 3.29Å; G194-R243 PolarHBondContact O-NH1 3.13Å; G194-R243 PolarHBondContact O-NH2 2.64Å; G194-R243 VanDerWaalsContact O-NH2 3.16Å; T195-R243 VanDerWaalsContact C-NE 3.29Å; T195-R243 WeakPolarHBondContact O-CD 3.46Å; T195-R243 PolarHBondContact O-NE 2.85Å; D196-R243 VanDerWaalsContact CG-NH2 3.32Å; D196-R243 IonicContact OD1-NH2 3.16Å; D196-R243 IonicContact OD2-CZ 3.17Å; D196-R243 IonicContact OD2-NE 2.82Å; D196-R243 PolarHBondContact OD2-NE 3.27Å; D196-R243 IonicContact OD2-NH2 2.83Å; D196-R243 PolarHBondContact OD2-NH2 2.9Å; R243-G247 WeakPolarHBondContact CD-O 3.16Å; R243-G247 PolarHBondContact NH1-O 2.85Å; R243-T248 CarbonylContact C-O 3.37Å; R243-T248 VanDerWaalsContact CA-O 3.24Å; R243-T248 WeakPolarHBondContact CA-O 3.42Å; R243-T248 WeakPolarHBondContact CB-O 3.35Å; R243-R250 PolarHBondContact O-NE 3.29Å; R243-T365 PolarHBondContact N-O 3.01Å; R243-T365 CarbonylContact O-C 3.5Å; R243-G366 PolarHBondContact O-N 3.41Å
244	E	96.3	Very high	94.8	Very high	65 Å²	65	31.1 Å²	31.1	30%	0.304	17%	0.166	S	C	.	.			trans	-63.9	169.7	167.9	-63.7	-64.2	166.3	0	0	110.6	D246 G247 T248 R250	E244-D246 WeakPolarHBondContact CB-OD1 3.12Å; E244-D246 PolarHBondContact O-N 3.01Å; E244-G247 WeakPolarHBondContact O-CA 3.31Å; E244-G247 PolarHBondContact O-N 2.88Å; E244-T248 PolarHBondContact N-O 2.97Å; E244-R250 HydrophobicContact CG-CG 4.03Å; E244-R250 IonicContact OE1-CZ 2.76Å; E244-R250 IonicContact OE1-NH1 2.87Å; E244-R250 PolarHBondContact OE1-NH1 2.99Å; E244-R250 IonicContact OE2-CZ 3.75Å; E244-R250 IonicContact OE2-NH1 3.55Å; E244-R250 PolarHBondContact OE2-NH1 3.38Å; E244-R250 IonicContact OE2-NH2 3.2Å; E244-R250 PolarHBondContact OE2-NH2 3.42Å
245	E	92.5	Very high	94.4	Very high	138 Å²	138	36.2 Å²	36.2	65%	0.645	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-34.3	-178.2	-167.6	176.5	180	0	0	112.7	K87 G247	K87-E245 VanDerWaalsContact CE-O 3.31Å; K87-E245 WeakPolarHBondContact CE-O 3.34Å; K87-E245 PolarHBondContact NZ-O 3.24Å; E245-G247 PolarHBondContact O-N 2.9Å
246	D	93	Very high	94.2	Very high	102 Å²	102	43 Å²	43	55%	0.545	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-5.6	176.6	71.1	-8.4	0	0	0	113.5	R88 E244 T248	R88-D246 PolarHBondContact NH2-O 2.77Å; E244-D246 WeakPolarHBondContact CB-OD1 3.12Å; E244-D246 PolarHBondContact O-N 3.01Å; D246-T248 VanDerWaalsContact CG-OG1 3.23Å; D246-T248 WeakPolarHBondContact OD1-CB 3.04Å; D246-T248 PolarHBondContact OD1-N 3.46Å; D246-T248 PolarHBondContact OD1-OG1 3.27Å; D246-T248 PolarHBondContact OD2-OG1 3.32Å
247	G	92.6	Very high	94	Very high	5 Å²	5	43.8 Å²	43.8	5%	0.052	24%	0.235	C	C	.	.	S	Bend	trans	89	5.9	-176.8	0	0	0	0	0	114.8	R243 E244 E245	R243-G247 WeakPolarHBondContact CD-O 3.16Å; R243-G247 PolarHBondContact NH1-O 2.85Å; E244-G247 WeakPolarHBondContact O-CA 3.31Å; E244-G247 PolarHBondContact O-N 2.88Å; E245-G247 PolarHBondContact O-N 2.9Å
248	T	95.8	Very high	94	Very high	69 Å²	69	45.3 Å²	45.3	42%	0.423	24%	0.242	S	C	.	.			trans	-68.1	134.9	172.7	-61.7	0	0	0	0	110.1	R243 E244 D246 R250	R243-T248 CarbonylContact C-O 3.37Å; R243-T248 VanDerWaalsContact CA-O 3.24Å; R243-T248 WeakPolarHBondContact CA-O 3.42Å; R243-T248 WeakPolarHBondContact CB-O 3.35Å; E244-T248 PolarHBondContact N-O 2.97Å; D246-T248 VanDerWaalsContact CG-OG1 3.23Å; D246-T248 WeakPolarHBondContact OD1-CB 3.04Å; D246-T248 PolarHBondContact OD1-N 3.46Å; D246-T248 PolarHBondContact OD1-OG1 3.27Å; D246-T248 PolarHBondContact OD2-OG1 3.32Å; T248-R250 PolarHBondContact O-N 3.07Å
249	P	97.2	Very high	93.8	Very high	38 Å²	38	45.9 Å²	45.9	25%	0.247	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-57.4	128.7	173.9	-24.1	33.9	0	0	0	112.6	T251 R253	P249-T251 VanDerWaalsContact C-N 3.34Å; P249-T251 WeakPolarHBondContact CB-O 3.46Å; P249-R253 HydrophobicContact CB-CG 3.81Å; P249-R253 HydrophobicContact CG-CG 3.84Å
250	R	97.7	Very high	93.7	Very high	20 Å²	20	46.1 Å²	46.1	8%	0.075	25%	0.247	C	C	.	.	S	Bend	trans	-67.9	-37.9	174.4	-65.5	-172.8	174.7	-83	-0.4	111.8	L242 R243 E244 T248 S273 T276 D364	L242-R250 PolarHBondContact O-N 3.2Å; R243-R250 PolarHBondContact O-NE 3.29Å; E244-R250 HydrophobicContact CG-CG 4.03Å; E244-R250 IonicContact OE1-CZ 2.76Å; E244-R250 IonicContact OE1-NH1 2.87Å; E244-R250 PolarHBondContact OE1-NH1 2.99Å; E244-R250 IonicContact OE2-CZ 3.75Å; E244-R250 IonicContact OE2-NH1 3.55Å; E244-R250 PolarHBondContact OE2-NH1 3.38Å; E244-R250 IonicContact OE2-NH2 3.2Å; E244-R250 PolarHBondContact OE2-NH2 3.42Å; T248-R250 PolarHBondContact O-N 3.07Å; R250-S273 VanDerWaalsContact O-CB 3.28Å; R250-S273 WeakPolarHBondContact O-CB 3.28Å; R250-S273 PolarHBondContact O-OG 2.04Å; R250-T276 WeakPolarHBondContact CD-OG1 3.24Å; R250-D364 PolarHBondContact NE-O 3.18Å; R250-D364 IonicContact NH2-OD1 3.53Å
251	T	98.2	Very high	93.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-89.7	128.7	174.6	-49.1	0	0	0	0	109.8	A240 P249 R253 P260 L262 S273	A240-T251 WeakPolarHBondContact CA-OG1 3.43Å; A240-T251 WeakPolarHBondContact O-CB 3.3Å; A240-T251 PolarHBondContact O-OG1 3.34Å; P249-T251 VanDerWaalsContact C-N 3.34Å; P249-T251 WeakPolarHBondContact CB-O 3.46Å; T251-R253 PolarHBondContact O-N 3.09Å; T251-R253 PolarHBondContact O-NE 3.47Å; T251-P260 HydrophobicContact CG2-CB 3.91Å; T251-L262 HydrophobicContact CG2-CB 4.47Å; T251-L262 HydrophobicContact CG2-CD1 3.78Å; T251-L262 HydrophobicContact CG2-CG 3.86Å; T251-S273 PolarHBondContact OG1-N 3.35Å; T251-S273 VanDerWaalsContact OG1-N 3.17Å
252	P	97.6	Very high	93.8	Very high	73 Å²	73	52.5 Å²	52.5	47%	0.474	29%	0.289	S	S	.	.			trans	-50.4	140.8	174.8	-27.7	35.2	0	0	0	111.6	A261 L262	P252-A261 WeakPolarHBondContact O-CB 3.49Å; P252-A261 PolarHBondContact O-N 3.03Å; P252-L262 HydrophobicContact CG-CD2 4.48Å
253	R	94.4	Very high	93.6	Very high	35 Å²	35	54.3 Å²	54.3	13%	0.132	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-107.9	143.7	-178.5	-60	-54	178.7	111.9	2.6	111.9	D196 P249 T251 P255 N258 L259	D196-R253 IonicContact OD1-NH1 2.93Å; D196-R253 IonicContact OD2-CZ 2.86Å; D196-R253 IonicContact OD2-NH1 3.96Å; D196-R253 PolarHBondContact OD2-NH1 2.83Å; D196-R253 IonicContact OD2-NH2 2.71Å; D196-R253 PolarHBondContact OD2-NH2 3.28Å; P249-R253 HydrophobicContact CB-CG 3.81Å; P249-R253 HydrophobicContact CG-CG 3.84Å; T251-R253 PolarHBondContact O-N 3.09Å; T251-R253 PolarHBondContact O-NE 3.47Å; R253-P255 WeakPolarHBondContact O-CD 3.48Å; R253-N258 WeakPolarHBondContact CD-O 3.39Å; R253-N258 PolarHBondContact NH1-O 3.4Å; R253-L259 CarbonylContact C-O 3.48Å; R253-L259 VanDerWaalsContact CA-O 3.3Å; R253-L259 WeakPolarHBondContact CA-O 3.45Å; R253-L259 WeakPolarHBondContact CD-O 3.44Å
254	D	91.9	Very high	93.2	Very high	51 Å²	51	57.8 Å²	57.8	27%	0.273	32%	0.324	S	S	.	.			trans	-66.2	123	171.1	171.9	-7.3	0	0	0	108.6	Q256 T257 N258 L259 A261	D254-Q256 PolarHBondContact O-N 3.33Å; D254-Q256 VanDerWaalsContact O-N 3.1Å; D254-Q256 WeakPolarHBondContact OD1-CB 3.24Å; D254-Q256 PolarHBondContact OD1-N 3Å; D254-T257 VanDerWaalsContact CB-OG1 3.3Å; D254-T257 WeakPolarHBondContact CB-OG1 3.33Å; D254-T257 VanDerWaalsContact CG-OG1 3.27Å; D254-T257 PolarHBondContact O-N 3.34Å; D254-T257 WeakPolarHBondContact OD2-CG2 3.22Å; D254-T257 PolarHBondContact OD2-OG1 3.15Å; D254-N258 VanDerWaalsContact O-CA 3.22Å; D254-N258 WeakPolarHBondContact O-CA 3.07Å; D254-N258 PolarHBondContact O-N 2.91Å; D254-L259 PolarHBondContact N-O 3.44Å; D254-A261 HydrophobicContact CB-CB 4.43Å
255	P	89	Confident	92.7	Very high	106 Å²	106	57.8 Å²	57.8	69%	0.688	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.3	-178.7	-23.9	34.4	0	0	0	115.6	K109 R253	K109-P255 PolarHBondContact NZ-O 2.68Å; R253-P255 WeakPolarHBondContact O-CD 3.48Å
256	Q	86.5	Confident	92.3	Very high	144 Å²	144	56.3 Å²	56.3	67%	0.673	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-44.7	179.6	-58.9	-172.1	13.4	0	0	112.1	L115 D254	L115-Q256 WeakPolarHBondContact CD1-O 3.42Å; D254-Q256 PolarHBondContact O-N 3.33Å; D254-Q256 VanDerWaalsContact O-N 3.1Å; D254-Q256 WeakPolarHBondContact OD1-CB 3.24Å; D254-Q256 PolarHBondContact OD1-N 3Å
257	T	86.6	Confident	91.6	Very high	28 Å²	28	55.9 Å²	55.9	17%	0.172	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-14.1	-172.6	64.5	0	0	0	0	114.1	Y107 L115 D254 L259	Y107-T257 HydrophobicContact CD1-CG2 4.49Å; Y107-T257 HydrophobicContact CD2-CG2 3.96Å; Y107-T257 HydrophobicContact CG-CG2 3.88Å; L115-T257 WeakPolarHBondContact CD2-O 3.46Å; D254-T257 VanDerWaalsContact CB-OG1 3.3Å; D254-T257 WeakPolarHBondContact CB-OG1 3.33Å; D254-T257 VanDerWaalsContact CG-OG1 3.27Å; D254-T257 PolarHBondContact O-N 3.34Å; D254-T257 WeakPolarHBondContact OD2-CG2 3.22Å; D254-T257 PolarHBondContact OD2-OG1 3.15Å; T257-L259 PolarHBondContact O-N 2.87Å; T257-L259 VanDerWaalsContact O-N 3.08Å; T257-L259 PolarHBondContact OG1-N 2.91Å
258	N	88.1	Confident	91.2	Very high	55 Å²	55	64.2 Å²	64.2	29%	0.294	36%	0.359	S	S	.	.			trans	57	13.3	-172.6	-164.9	53.4	0	0	0	114.9	L115 R253 D254	L115-N258 HydrophobicContact CD2-CB 3.63Å; R253-N258 WeakPolarHBondContact CD-O 3.39Å; R253-N258 PolarHBondContact NH1-O 3.4Å; D254-N258 VanDerWaalsContact O-CA 3.22Å; D254-N258 WeakPolarHBondContact O-CA 3.07Å; D254-N258 PolarHBondContact O-N 2.91Å
259	L	90	Very high	90.7	Very high	15 Å²	15	62 Å²	62	8%	0.079	35%	0.345	C	S	.	.	S	Bend	trans	-82.3	160.6	173.2	-66.9	170	0	0	0	110.8	Y107 F241 R253 D254 T257 A261 Y270	Y107-L259 HydrophobicContact CE1-CD1 4.05Å; Y107-L259 HydrophobicContact CE1-CG 4.25Å; Y107-L259 HydrophobicContact CE2-CD1 3.99Å; Y107-L259 WeakPolarHBondContact OH-CD1 3.4Å; F241-L259 HydrophobicContact CE1-CD2 4.31Å; F241-L259 HydrophobicContact CZ-CD2 4.49Å; R253-L259 CarbonylContact C-O 3.48Å; R253-L259 VanDerWaalsContact CA-O 3.3Å; R253-L259 WeakPolarHBondContact CA-O 3.45Å; R253-L259 WeakPolarHBondContact CD-O 3.44Å; D254-L259 PolarHBondContact N-O 3.44Å; T257-L259 PolarHBondContact O-N 2.87Å; T257-L259 VanDerWaalsContact O-N 3.08Å; T257-L259 PolarHBondContact OG1-N 2.91Å; L259-A261 PolarHBondContact O-N 3.46Å; L259-Y270 HydrophobicContact CB-CE1 4.26Å; L259-Y270 VanDerWaalsContact CD1-OH 3.27Å; L259-Y270 WeakPolarHBondContact CD1-OH 3.27Å
260	P	93.9	Very high	90.4	Very high	7 Å²	7	62.2 Å²	62.2	5%	0.045	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-54.9	126.7	174	-25.2	35	0	0	0	112.3	A240 F241 T251 Y270	A240-P260 HydrophobicContact CB-CB 3.92Å; A240-P260 HydrophobicContact CB-CG 3.76Å; F241-P260 HydrophobicContact CD1-CG 4.18Å; F241-P260 HydrophobicContact CD2-CG 4.34Å; F241-P260 HydrophobicContact CE1-CG 3.81Å; F241-P260 HydrophobicContact CE2-CG 3.96Å; F241-P260 HydrophobicContact CG-CG 4.44Å; F241-P260 HydrophobicContact CZ-CG 3.69Å; T251-P260 HydrophobicContact CG2-CB 3.91Å; P260-Y270 HydrophobicContact CB-CD1 3.78Å; P260-Y270 HydrophobicContact CB-CG 4.04Å; P260-Y270 HydrophobicContact CG-CD1 4.01Å; P260-Y270 HydrophobicContact CG-CG 3.89Å
261	A	96.4	Very high	90.2	Very high	55 Å²	55	64.8 Å²	64.8	46%	0.455	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.1	-170.7	0	0	0	0	0	114.5	P252 D254 L259 G263	P252-A261 WeakPolarHBondContact O-CB 3.49Å; P252-A261 PolarHBondContact O-N 3.03Å; D254-A261 HydrophobicContact CB-CB 4.43Å; L259-A261 PolarHBondContact O-N 3.46Å; A261-G263 PolarHBondContact O-N 3.24Å
262	L	96.4	Very high	90.1	Very high	80 Å²	80	65.7 Å²	65.7	42%	0.419	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	6.5	-178.7	-60.2	-174.4	0	0	0	113.4	T251 P252 I271	T251-L262 HydrophobicContact CG2-CB 4.47Å; T251-L262 HydrophobicContact CG2-CD1 3.78Å; T251-L262 HydrophobicContact CG2-CG 3.86Å; P252-L262 HydrophobicContact CG-CD2 4.48Å; L262-I271 HydrophobicContact CB-CB 4.12Å; L262-I271 HydrophobicContact CB-CG2 4.26Å
263	G	93.4	Very high	90.1	Very high	37 Å²	37	63.2 Å²	63.2	38%	0.381	35%	0.347	S	S	.	.			trans	83.7	-170.4	-176.9	0	0	0	0	0	113	A261 I271	A261-G263 PolarHBondContact O-N 3.24Å; G263-I271 PolarHBondContact O-N 3.09Å
264	Q	89.8	Confident	90.2	Very high	90 Å²	90	69.5 Å²	69.5	42%	0.421	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-126.1	154.9	179	-66.1	170.2	-72.3	0	0	109.5	Y268 I269 Y270	Q264-Y268 PolarHBondContact NE2-O 3.5Å; Q264-I269 CarbonylContact C-O 3.52Å; Q264-I269 WeakPolarHBondContact CA-O 3.48Å; Q264-Y270 HydrophobicContact CG-CD1 3.61Å; Q264-Y270 HydrophobicContact CG-CD2 4.45Å; Q264-Y270 HydrophobicContact CG-CE1 3.73Å; Q264-Y270 HydrophobicContact CG-CG 3.99Å
265	D	86	Confident	90.4	Very high	66 Å²	66	69.2 Å²	69.2	35%	0.353	38%	0.378	S	S	.	.			trans	-81.6	-171.9	171.7	67.3	17.2	0	0	0	112.5	D267 Y268 I269	D265-D267 PolarHBondContact O-N 3.48Å; D265-D267 WeakPolarHBondContact OD1-CA 3.23Å; D265-D267 PolarHBondContact OD1-N 3.43Å; D265-Y268 PolarHBondContact O-N 3.08Å; D265-Y268 VanDerWaalsContact O-N 3.16Å; D265-Y268 PolarHBondContact OD1-N 2.91Å; D265-I269 PolarHBondContact N-O 2.85Å; D265-I269 WeakPolarHBondContact OD1-CB 3.37Å; D265-I269 PolarHBondContact OD1-N 2.98Å
266	S	84	Confident	90.9	Very high	106 Å²	106	64.2 Å²	64.2	74%	0.741	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.1	179.7	48.3	0	0	0	0	114.5
267	D	78.7	Confident	91.4	Very high	93 Å²	93	57.9 Å²	57.9	50%	0.497	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	14.8	179.1	-64.8	-56.6	0	0	0	111.7	T27 D265 I269	T27-D267 PolarHBondContact OG1-O 3.43Å; D265-D267 PolarHBondContact O-N 3.48Å; D265-D267 WeakPolarHBondContact OD1-CA 3.23Å; D265-D267 PolarHBondContact OD1-N 3.43Å; D267-I269 HydrophobicContact CB-CD1 4.28Å; D267-I269 HydrophobicContact CB-CG1 4.27Å; D267-I269 PolarHBondContact O-N 3.17Å
268	Y	83.1	Confident	91.9	Very high	180 Å²	180	58.4 Å²	58.4	71%	0.706	32%	0.319	S	S	*	.	S	Bend	trans	62.1	23.8	-178.5	-52.5	-85.5	0	0	0	113.7	Q264 D265	Q264-Y268 PolarHBondContact NE2-O 3.5Å; D265-Y268 PolarHBondContact O-N 3.08Å; D265-Y268 VanDerWaalsContact O-N 3.16Å; D265-Y268 PolarHBondContact OD1-N 2.91Å
269	I	85.3	Confident	92.2	Very high	22 Å²	22	62.1 Å²	62.1	11%	0.113	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-88.7	131	176.6	-58	178	0	0	0	108.7	T27 S236 Q264 D265 D267 I271	T27-I269 HydrophobicContact CG2-CD1 3.95Å; T27-I269 HydrophobicContact CG2-CG1 3.94Å; S236-I269 WeakPolarHBondContact O-CG2 3.41Å; Q264-I269 CarbonylContact C-O 3.52Å; Q264-I269 WeakPolarHBondContact CA-O 3.48Å; D265-I269 PolarHBondContact N-O 2.85Å; D265-I269 WeakPolarHBondContact OD1-CB 3.37Å; D265-I269 PolarHBondContact OD1-N 2.98Å; D267-I269 HydrophobicContact CB-CD1 4.28Å; D267-I269 HydrophobicContact CB-CG1 4.27Å; D267-I269 PolarHBondContact O-N 3.17Å; I269-I271 PolarHBondContact O-N 2.7Å
270	Y	91	Very high	92.5	Very high	43 Å²	43	62.1 Å²	62.1	17%	0.169	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-64.2	134.8	178.1	-74.8	-79	0	0	0	111.5	I30 A240 F241 L259 P260 Q264 A272	I30-Y270 HydrophobicContact CD1-CD2 4.18Å; I30-Y270 HydrophobicContact CD1-CE2 4.41Å; A240-Y270 WeakPolarHBondContact CB-O 3.43Å; F241-Y270 AromaticContact CE2-CD2 3.59Å; F241-Y270 HydrophobicContact CE2-CD2 3.59Å; F241-Y270 HydrophobicContact CE2-CE2 4.34Å; F241-Y270 HydrophobicContact CE2-CG 4.14Å; F241-Y270 AromaticContact CZ-CD2 3.55Å; F241-Y270 HydrophobicContact CZ-CD2 3.55Å; F241-Y270 AromaticContact CZ-CE2 3.87Å; F241-Y270 HydrophobicContact CZ-CE2 3.87Å; F241-Y270 HydrophobicContact CZ-CG 4.19Å; L259-Y270 HydrophobicContact CB-CE1 4.26Å; L259-Y270 VanDerWaalsContact CD1-OH 3.27Å; L259-Y270 WeakPolarHBondContact CD1-OH 3.27Å; P260-Y270 HydrophobicContact CB-CD1 3.78Å; P260-Y270 HydrophobicContact CB-CG 4.04Å; P260-Y270 HydrophobicContact CG-CD1 4.01Å; P260-Y270 HydrophobicContact CG-CG 3.89Å; Q264-Y270 HydrophobicContact CG-CD1 3.61Å; Q264-Y270 HydrophobicContact CG-CD2 4.45Å; Q264-Y270 HydrophobicContact CG-CE1 3.73Å; Q264-Y270 HydrophobicContact CG-CG 3.99Å; Y270-A272 PolarHBondContact O-N 3.46Å
271	I	93.3	Very high	92.5	Very high	75 Å²	75	68.5 Å²	68.5	39%	0.385	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-76.3	125.7	-179.6	-61.9	172.7	0	0	0	109.4	L262 G263 I269	L262-I271 HydrophobicContact CB-CB 4.12Å; L262-I271 HydrophobicContact CB-CG2 4.26Å; G263-I271 PolarHBondContact O-N 3.09Å; I269-I271 PolarHBondContact O-N 2.7Å
272	A	96.1	Very high	92.4	Very high	18 Å²	18	66.7 Å²	66.7	15%	0.149	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-77.4	155.4	178	0	0	0	0	0	112.6	A240 Y270 T276	A240-A272 HydrophobicContact CB-CB 4.37Å; Y270-A272 PolarHBondContact O-N 3.46Å; A272-T276 HydrophobicContact CB-CG2 4.21Å
273	S	97.7	Very high	92.3	Very high	21 Å²	21	68 Å²	68	15%	0.147	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-58.5	148.6	169.6	-174.6	0	0	0	0	111.8	R250 T251 S275 T276 V277	R250-S273 VanDerWaalsContact O-CB 3.28Å; R250-S273 WeakPolarHBondContact O-CB 3.28Å; R250-S273 PolarHBondContact O-OG 2.04Å; T251-S273 PolarHBondContact OG1-N 3.35Å; T251-S273 VanDerWaalsContact OG1-N 3.17Å; S273-S275 WeakPolarHBondContact CB-OG 3.2Å; S273-S275 PolarHBondContact O-N 3.48Å; S273-S275 VanDerWaalsContact O-N 3.09Å; S273-S275 PolarHBondContact OG-N 2.9Å; S273-S275 PolarHBondContact OG-OG 2.98Å; S273-T276 WeakPolarHBondContact O-CA 3.31Å; S273-T276 WeakPolarHBondContact O-CB 3.37Å; S273-T276 PolarHBondContact O-N 3.47Å; S273-V277 PolarHBondContact O-N 2.93Å
274	K	97.2	Very high	92.5	Very high	167 Å²	167	66.6 Å²	66.6	73%	0.726	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-14.6	171.9	-68.8	-173.9	178.2	-177.2	0	113.8	T276 V277 V299	K274-T276 VanDerWaalsContact C-N 3.3Å; K274-V277 WeakPolarHBondContact CA-O 3.49Å; K274-V299 WeakPolarHBondContact O-CG2 3.33Å
275	S	96.8	Very high	92.9	Very high	46 Å²	46	63.7 Å²	63.7	32%	0.322	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-9.8	171	60	0	0	0	0	113.7	S273 V299	S273-S275 WeakPolarHBondContact CB-OG 3.2Å; S273-S275 PolarHBondContact O-N 3.48Å; S273-S275 VanDerWaalsContact O-N 3.09Å; S273-S275 PolarHBondContact OG-N 2.9Å; S273-S275 PolarHBondContact OG-OG 2.98Å; S275-V299 WeakPolarHBondContact O-CG2 3.43Å
276	T	98.3	Very high	93.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-61.6	174.7	-61.1	0	0	0	0	109.5	L242 R250 A272 S273 K274 F298 V299 L300	L242-T276 HydrophobicContact CD2-CG2 3.96Å; R250-T276 WeakPolarHBondContact CD-OG1 3.24Å; A272-T276 HydrophobicContact CB-CG2 4.21Å; S273-T276 WeakPolarHBondContact O-CA 3.31Å; S273-T276 WeakPolarHBondContact O-CB 3.37Å; S273-T276 PolarHBondContact O-N 3.47Å; K274-T276 VanDerWaalsContact C-N 3.3Å; T276-F298 WeakPolarHBondContact O-CA 3.4Å; T276-V299 PolarHBondContact O-N 2.88Å; T276-L300 HydrophobicContact CG2-CD2 4Å; T276-L300 HydrophobicContact CG2-CG 4.44Å
277	V	97.1	Very high	94.1	Very high	12 Å²	12	57 Å²	57	7%	0.073	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.4	178.7	178	0	0	0	0	109.2	Y239 S273 K274 D296 A297 F298 L321 F331	Y239-V277 HydrophobicContact CD2-CG2 4.03Å; Y239-V277 HydrophobicContact CE2-CG2 4.45Å; S273-V277 PolarHBondContact O-N 2.93Å; K274-V277 WeakPolarHBondContact CA-O 3.49Å; V277-D296 HydrophobicContact CG1-CB 4.1Å; V277-A297 WeakPolarHBondContact CA-O 3.35Å; V277-F298 HydrophobicContact CG2-CD1 3.35Å; V277-F298 HydrophobicContact CG2-CE1 3.48Å; V277-F298 VanDerWaalsContact CG2-CE1 3.48Å; V277-F298 HydrophobicContact CG2-CG 4.4Å; V277-L321 HydrophobicContact CG1-CD1 4.11Å; V277-L321 HydrophobicContact CG2-CD1 4.19Å; V277-F331 HydrophobicContact CG1-CE2 3.64Å; V277-F331 HydrophobicContact CG1-CZ 4.09Å
278	T	96.6	Very high	94.9	Very high	38 Å²	38	56.5 Å²	56.5	23%	0.233	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	161.2	175.3	-164.7	0	0	0	0	110.9	V280 A297 V299	T278-V280 HydrophobicContact CG2-CG2 3.76Å; T278-A297 PolarHBondContact N-O 3.27Å; T278-A297 PolarHBondContact O-N 2.72Å; T278-V299 HydrophobicContact CG2-CG1 3.55Å
279	K	95.6	Very high	95.6	Very high	133 Å²	133	49.2 Å²	49.2	58%	0.578	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	129.8	171.6	-72.8	-171.1	-176.8	-54.8	0	109.7	T294 V295 D296	K279-T294 HydrophobicContact CB-CG2 3.72Å; K279-T294 HydrophobicContact CD-CG2 3.88Å; K279-T294 HydrophobicContact CG-CG2 4.04Å; K279-V295 CarbonylContact C-O 3.54Å; K279-V295 WeakPolarHBondContact CA-O 3.32Å; K279-D296 VanDerWaalsContact CG-OD1 3.24Å; K279-D296 WeakPolarHBondContact CG-OD1 3.5Å; K279-D296 IonicContact NZ-OD1 2.69Å; K279-D296 PolarHBondContact NZ-OD1 2.58Å; K279-D296 IonicContact NZ-OD2 3.89Å; K279-D296 PolarHBondContact NZ-OD2 2.63Å
280	V	95.6	Very high	96.2	Very high	16 Å²	16	52.7 Å²	52.7	10%	0.097	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.2	-178.9	-165	0	0	0	0	109.8	T278 T294 V295 A297 D317	T278-V280 HydrophobicContact CG2-CG2 3.76Å; V280-T294 WeakPolarHBondContact O-CA 3.43Å; V280-V295 HydrophobicContact CB-CG2 4.15Å; V280-V295 PolarHBondContact N-O 2.99Å; V280-V295 PolarHBondContact O-N 3.11Å; V280-A297 HydrophobicContact CG2-CB 3.79Å; V280-D317 WeakPolarHBondContact CG1-OD2 3.4Å
281	Q	94.7	Very high	96.5	Very high	140 Å²	140	53.1 Å²	53.1	65%	0.654	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.5	177.6	-66.2	-173.7	21.7	0	0	110.4	I292 R293	Q281-I292 HydrophobicContact CB-CG2 3.89Å; Q281-I292 HydrophobicContact CG-CG2 4.14Å; Q281-R293 CarbonylContact C-O 3.54Å; Q281-R293 WeakPolarHBondContact CA-O 3.38Å
282	R	93.1	Very high	96.6	Very high	17 Å²	17	54.9 Å²	54.9	6%	0.064	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.9	176.3	-58	-72.6	178.9	-121.5	-0.5	108.8	W284 I292 R293 V295 D317 D320	R282-W284 PolarHBondContact O-N 2.91Å; R282-I292 WeakPolarHBondContact O-CA 3.22Å; R282-R293 HydrophobicContact CB-CB 4.49Å; R282-R293 PolarHBondContact N-O 3.1Å; R282-R293 PolarHBondContact O-N 2.59Å; R282-V295 HydrophobicContact CG-CG1 4.17Å; R282-V295 HydrophobicContact CG-CG2 3.75Å; R282-D317 IonicContact CZ-OD1 2.9Å; R282-D317 IonicContact CZ-OD2 2.88Å; R282-D317 VanDerWaalsContact NH1-CG 3.29Å; R282-D317 IonicContact NH1-OD1 2.67Å; R282-D317 PolarHBondContact NH1-OD1 2.58Å; R282-D317 IonicContact NH1-OD2 3.8Å; R282-D317 PolarHBondContact NH1-OD2 3.02Å; R282-D317 IonicContact NH2-OD1 3.99Å; R282-D317 PolarHBondContact NH2-OD1 3.32Å; R282-D320 IonicContact CZ-OD1 3.98Å; R282-D320 IonicContact CZ-OD2 3.68Å; R282-D320 IonicContact NE-OD1 3.8Å; R282-D320 IonicContact NE-OD2 2.81Å; R282-D320 PolarHBondContact NE-OD2 2.74Å; R282-D320 IonicContact NH2-OD1 2.59Å; R282-D320 PolarHBondContact NH2-OD1 2.8Å; R282-D320 IonicContact NH2-OD2 2.96Å
283	I	96	Very high	96.4	Very high	109 Å²	109	55.9 Å²	55.9	56%	0.559	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	125.7	168.3	-61.5	173.6	0	0	0	107.2	V285 T290	I283-V285 HydrophobicContact CG2-CG2 4.18Å; I283-T290 HydrophobicContact CG2-CG2 3.87Å
284	W	96.4	Very high	96.2	Very high	6 Å²	6	58.6 Å²	58.6	2%	0.023	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	106.3	-174.9	-164	-95.2	0	0	0	110.8	R282 T290 T291 R293 E443 D469	R282-W284 PolarHBondContact O-N 2.91Å; W284-T290 WeakPolarHBondContact O-CA 3.48Å; W284-T291 PolarHBondContact N-O 2.93Å; W284-T291 PolarHBondContact O-N 3.44Å; W284-R293 HydrophobicContact CB-CG 3.91Å; W284-R293 VanDerWaalsContact CE2-NH1 3.35Å; W284-R293 HydrophobicContact CG-CG 4.22Å; W284-R293 VanDerWaalsContact NE1-CZ 3.32Å; W284-E443 PolarHBondContact NE1-O 3.31Å; W284-D469 HydrophobicContact CH2-CB 4.14Å; W284-D469 WeakPolarHBondContact CH2-OD2 3.19Å; W284-D469 HydrophobicContact CZ2-CB 3.91Å
285	V	98.3	Very high	96	Very high	29 Å²	29	51 Å²	51	18%	0.176	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.7	-177.8	-177.1	0	0	0	0	109.9	I283 T290 S392 Y394 E395	I283-V285 HydrophobicContact CG2-CG2 4.18Å; V285-T290 HydrophobicContact CG2-CG2 4Å; V285-S392 VanDerWaalsContact O-CB 3.24Å; V285-S392 WeakPolarHBondContact O-CB 3.36Å; V285-S392 PolarHBondContact O-OG 3.48Å; V285-Y394 HydrophobicContact CG1-CD1 4.06Å; V285-Y394 HydrophobicContact CG1-CE1 4.17Å; V285-E395 HydrophobicContact CB-CB 4.21Å; V285-E395 VanDerWaalsContact CG2-OE2 3.27Å; V285-E395 WeakPolarHBondContact CG2-OE2 3.29Å
286	S	97.8	Very high	95.9	Very high	6 Å²	6	50.8 Å²	50.8	4%	0.042	28%	0.275	C	S	.	.			trans	-113.3	-177	170	84.8	0	0	0	0	110.3	V288 S289 Y394 V442 Q445	S286-V288 PolarHBondContact O-N 2.91Å; S286-V288 WeakPolarHBondContact OG-CG2 3.15Å; S286-V288 PolarHBondContact OG-N 2.87Å; S286-V288 VanDerWaalsContact OG-N 3.11Å; S286-S289 PolarHBondContact N-O 3.23Å; S286-S289 PolarHBondContact OG-N 2.85Å; S286-S289 PolarHBondContact OG-O 2.79Å; S286-S289 PolarHBondContact OG-OG 3.12Å; S286-Y394 WeakPolarHBondContact O-CD1 3.24Å; S286-Y394 VanDerWaalsContact O-CE1 3.25Å; S286-Y394 WeakPolarHBondContact O-CE1 3.48Å; S286-V442 WeakPolarHBondContact CB-O 3.23Å; S286-V442 PolarHBondContact OG-O 3.16Å; S286-Q445 WeakPolarHBondContact CB-O 3.38Å
287	A	97.2	Very high	95.9	Very high	27 Å²	27	50.8 Å²	50.8	22%	0.223	28%	0.275	C	S	.	.	S	Bend	trans	-67.3	-15.4	173.2	0	0	0	0	0	113.1	Y394 Q445 T448	A287-Y394 HydrophobicContact CB-CD2 4.38Å; A287-Y394 HydrophobicContact CB-CE2 3.99Å; A287-Q445 VanDerWaalsContact CB-O 3.31Å; A287-Q445 WeakPolarHBondContact CB-O 3.16Å; A287-Q445 PolarHBondContact N-O 3.26Å; A287-T448 HydrophobicContact CB-CG2 4.03Å
288	V	96.9	Very high	96	Very high	81 Å²	81	50.2 Å²	50.2	49%	0.491	27%	0.272	S	S	.	.	S	Bend	trans	-127.5	-19.3	-171.4	-60.1	0	0	0	0	114.2	S286 V442 Q445	S286-V288 PolarHBondContact O-N 2.91Å; S286-V288 WeakPolarHBondContact OG-CG2 3.15Å; S286-V288 PolarHBondContact OG-N 2.87Å; S286-V288 VanDerWaalsContact OG-N 3.11Å; V288-V442 HydrophobicContact CG2-CB 3.68Å; V288-V442 HydrophobicContact CG2-CG1 4.22Å; V288-V442 WeakPolarHBondContact CG2-O 3.34Å; V288-Q445 HydrophobicContact CG2-CB 4.09Å
289	S	97.2	Very high	96	Very high	27 Å²	27	50 Å²	50	19%	0.189	27%	0.271	C	S	.	.			trans	-145.1	163.1	-177.3	67.4	0	0	0	0	112.5	S286	S286-S289 PolarHBondContact N-O 3.23Å; S286-S289 PolarHBondContact OG-N 2.85Å; S286-S289 PolarHBondContact OG-O 2.79Å; S286-S289 PolarHBondContact OG-OG 3.12Å
290	T	98.1	Very high	96.2	Very high	96 Å²	96	43.7 Å²	43.7	59%	0.589	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	120.2	164.2	-62.1	0	0	0	0	106.8	I283 W284 V285	I283-T290 HydrophobicContact CG2-CG2 3.87Å; W284-T290 WeakPolarHBondContact O-CA 3.48Å; V285-T290 HydrophobicContact CG2-CG2 4Å
291	T	96	Very high	96.3	Very high	52 Å²	52	46.3 Å²	46.3	32%	0.319	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	168.4	-177.8	62.4	0	0	0	0	110.4	W284	W284-T291 PolarHBondContact N-O 2.93Å; W284-T291 PolarHBondContact O-N 3.44Å
292	I	95.1	Very high	96.5	Very high	112 Å²	112	41.5 Å²	41.5	57%	0.574	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.9	170	-60.3	174.5	0	0	0	106.9	Q281 R282	Q281-I292 HydrophobicContact CB-CG2 3.89Å; Q281-I292 HydrophobicContact CG-CG2 4.14Å; R282-I292 WeakPolarHBondContact O-CA 3.22Å
293	R	92.1	Very high	96.7	Very high	38 Å²	38	40.7 Å²	40.7	14%	0.143	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	141.3	173.3	-69.2	-176	173.7	-168.1	-3.3	109.5	Q281 R282 W284 N444 D469	Q281-R293 CarbonylContact C-O 3.54Å; Q281-R293 WeakPolarHBondContact CA-O 3.38Å; R282-R293 HydrophobicContact CB-CB 4.49Å; R282-R293 PolarHBondContact N-O 3.1Å; R282-R293 PolarHBondContact O-N 2.59Å; W284-R293 HydrophobicContact CB-CG 3.91Å; W284-R293 VanDerWaalsContact CE2-NH1 3.35Å; W284-R293 HydrophobicContact CG-CG 4.22Å; W284-R293 VanDerWaalsContact NE1-CZ 3.32Å; R293-N444 PolarHBondContact NH2-ND2 2.92Å; R293-N444 VanDerWaalsContact NH2-ND2 3.19Å; R293-D469 IonicContact CZ-OD1 3.23Å; R293-D469 IonicContact NH1-OD1 2.82Å; R293-D469 PolarHBondContact NH1-OD1 3.05Å; R293-D469 IonicContact NH1-OD2 3.3Å
294	T	93.9	Very high	96.9	Very high	79 Å²	79	36.3 Å²	36.3	49%	0.485	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	115.3	169.5	-59.6	0	0	0	0	107.8	K279 V280	K279-T294 HydrophobicContact CB-CG2 3.72Å; K279-T294 HydrophobicContact CD-CG2 3.88Å; K279-T294 HydrophobicContact CG-CG2 4.04Å; V280-T294 WeakPolarHBondContact O-CA 3.43Å
295	V	93.6	Very high	97	Very high	8 Å²	8	38.6 Å²	38.6	5%	0.048	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	146.3	178.8	-59.5	0	0	0	0	109.4	K279 V280 R282	K279-V295 CarbonylContact C-O 3.54Å; K279-V295 WeakPolarHBondContact CA-O 3.32Å; V280-V295 HydrophobicContact CB-CG2 4.15Å; V280-V295 PolarHBondContact N-O 2.99Å; V280-V295 PolarHBondContact O-N 3.11Å; R282-V295 HydrophobicContact CG-CG1 4.17Å; R282-V295 HydrophobicContact CG-CG2 3.75Å
296	D	95.4	Very high	97	Very high	40 Å²	40	40.2 Å²	40.2	21%	0.214	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134.4	166.7	-71.9	-66.3	0	0	0	108.4	V277 K279 L321 F331	V277-D296 HydrophobicContact CG1-CB 4.1Å; K279-D296 VanDerWaalsContact CG-OD1 3.24Å; K279-D296 WeakPolarHBondContact CG-OD1 3.5Å; K279-D296 IonicContact NZ-OD1 2.69Å; K279-D296 PolarHBondContact NZ-OD1 2.58Å; K279-D296 IonicContact NZ-OD2 3.89Å; K279-D296 PolarHBondContact NZ-OD2 2.63Å; D296-L321 HydrophobicContact CB-CD1 4.3Å; D296-L321 WeakPolarHBondContact O-CB 3.02Å; D296-L321 PolarHBondContact O-N 2.77Å; D296-F331 HydrophobicContact CB-CD2 3.61Å; D296-F331 HydrophobicContact CB-CE2 3.68Å
297	A	97.7	Very high	97	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.1	-177.1	0	0	0	0	0	111.2	V277 T278 V280 V299 M319	V277-A297 WeakPolarHBondContact CA-O 3.35Å; T278-A297 PolarHBondContact N-O 3.27Å; T278-A297 PolarHBondContact O-N 2.72Å; V280-A297 HydrophobicContact CG2-CB 3.79Å; A297-V299 PolarHBondContact O-N 3.23Å; A297-M319 CarbonylContact C-O 3.49Å; A297-M319 VanDerWaalsContact CA-O 3.27Å; A297-M319 WeakPolarHBondContact CA-O 3.24Å
298	F	98.3	Very high	97.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127.1	167.7	-74.3	-54.8	0	0	0	110.1	F234 Y239 T276 V277 L300 V303 G318 M319 L321 F334 Y361	F234-F298 HydrophobicContact CE1-CE2 4.37Å; F234-F298 HydrophobicContact CE2-CE2 4.37Å; F234-F298 AromaticContact CZ-CE2 3.86Å; F234-F298 HydrophobicContact CZ-CE2 3.86Å; F234-F298 HydrophobicContact CZ-CZ 4.46Å; Y239-F298 HydrophobicContact CD1-CE1 4.04Å; Y239-F298 HydrophobicContact CD1-CZ 4.22Å; Y239-F298 HydrophobicContact CD2-CE1 4.31Å; Y239-F298 AromaticContact CE1-CE1 3.8Å; Y239-F298 HydrophobicContact CE1-CE1 3.8Å; Y239-F298 AromaticContact CE1-CZ 3.51Å; Y239-F298 HydrophobicContact CE1-CZ 3.51Å; Y239-F298 HydrophobicContact CE2-CE1 4.07Å; Y239-F298 HydrophobicContact CE2-CZ 4.08Å; Y239-F298 HydrophobicContact CG-CE1 4.31Å; Y239-F298 AromaticContact CZ-CE1 3.83Å; Y239-F298 AromaticContact CZ-CZ 3.44Å; Y239-F298 VanDerWaalsContact CZ-CZ 3.44Å; T276-F298 WeakPolarHBondContact O-CA 3.4Å; V277-F298 HydrophobicContact CG2-CD1 3.35Å; V277-F298 HydrophobicContact CG2-CE1 3.48Å; V277-F298 VanDerWaalsContact CG2-CE1 3.48Å; V277-F298 HydrophobicContact CG2-CG 4.4Å; F298-L300 HydrophobicContact CB-CD1 4.42Å; F298-L300 HydrophobicContact CB-CG 4.47Å; F298-L300 HydrophobicContact CD1-CD1 3.69Å; F298-L300 HydrophobicContact CD1-CG 4.22Å; F298-L300 HydrophobicContact CE1-CD1 4.15Å; F298-L300 HydrophobicContact CG-CD1 4.13Å; F298-V303 HydrophobicContact CB-CG1 4.2Å; F298-G318 CarbonylContact O-C 3.55Å; F298-G318 WeakPolarHBondContact O-CA 3.42Å; F298-M319 HydrophobicContact CB-CB 4.36Å; F298-M319 PolarHBondContact N-O 3.26Å; F298-M319 PolarHBondContact O-N 3.4Å; F298-L321 HydrophobicContact CD2-CD2 3.56Å; F298-L321 HydrophobicContact CD2-CG 4.16Å; F298-L321 HydrophobicContact CE1-CD1 4.39Å; F298-L321 HydrophobicContact CE2-CD1 4.43Å; F298-L321 HydrophobicContact CE2-CD2 3.27Å; F298-L321 HydrophobicContact CE2-CG 4.22Å; F298-L321 HydrophobicContact CG-CD2 4.4Å; F298-L321 HydrophobicContact CZ-CD1 4.33Å; F298-L321 HydrophobicContact CZ-CD2 3.82Å; F298-F334 HydrophobicContact CD2-CD1 4.32Å; F298-F334 AromaticContact CD2-CE1 3.79Å; F298-F334 HydrophobicContact CD2-CE1 3.79Å; F298-F334 HydrophobicContact CE2-CD1 4.42Å; F298-F334 AromaticContact CE2-CE1 3.91Å; F298-F334 HydrophobicContact CE2-CE1 3.91Å; F298-Y361 HydrophobicContact CE1-CD2 4.34Å; F298-Y361 AromaticContact CE1-CE2 3.84Å; F298-Y361 HydrophobicContact CE1-CE2 3.84Å; F298-Y361 AromaticContact CE2-CD2 3.96Å; F298-Y361 HydrophobicContact CE2-CD2 3.96Å; F298-Y361 HydrophobicContact CE2-CE2 4.06Å; F298-Y361 AromaticContact CZ-CD2 3.84Å; F298-Y361 HydrophobicContact CZ-CD2 3.84Å; F298-Y361 AromaticContact CZ-CE2 3.46Å; F298-Y361 HydrophobicContact CZ-CE2 3.46Å; F298-Y361 VanDerWaalsContact CZ-CE2 3.46Å
299	V	98	Very high	97.1	Very high	35 Å²	35	42.6 Å²	42.6	21%	0.212	25%	0.247	C	C	.	.			trans	-110.4	21.9	171	-58.8	0	0	0	0	111.8	K274 S275 T276 T278 A297 D317	K274-V299 WeakPolarHBondContact O-CG2 3.33Å; S275-V299 WeakPolarHBondContact O-CG2 3.43Å; T276-V299 PolarHBondContact O-N 2.88Å; T278-V299 HydrophobicContact CG2-CG1 3.55Å; A297-V299 PolarHBondContact O-N 3.23Å; V299-D317 WeakPolarHBondContact CG1-O 3.41Å
300	L	98.5	Very high	97.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.243	C	C	.	.			trans	-63	136.8	175.8	-65.3	170.1	0	0	0	110.4	L242 T276 F298 N302 V303 L304 Y361 D364	L242-L300 HydrophobicContact CD2-CD1 3.86Å; L242-L300 HydrophobicContact CD2-CD2 3.96Å; T276-L300 HydrophobicContact CG2-CD2 4Å; T276-L300 HydrophobicContact CG2-CG 4.44Å; F298-L300 HydrophobicContact CB-CD1 4.42Å; F298-L300 HydrophobicContact CB-CG 4.47Å; F298-L300 HydrophobicContact CD1-CD1 3.69Å; F298-L300 HydrophobicContact CD1-CG 4.22Å; F298-L300 HydrophobicContact CE1-CD1 4.15Å; F298-L300 HydrophobicContact CG-CD1 4.13Å; L300-N302 PolarHBondContact O-N 3.21Å; L300-V303 HydrophobicContact CB-CB 4.09Å; L300-V303 HydrophobicContact CB-CG2 4.1Å; L300-V303 HydrophobicContact CD1-CG2 4.26Å; L300-V303 PolarHBondContact O-N 2.59Å; L300-L304 VanDerWaalsContact O-CB 3.23Å; L300-L304 WeakPolarHBondContact O-CB 3.28Å; L300-L304 PolarHBondContact O-N 3.04Å; L300-Y361 HydrophobicContact CD1-CD2 3.96Å; L300-Y361 HydrophobicContact CD1-CE2 4.13Å; L300-D364 HydrophobicContact CB-CB 3.9Å; L300-D364 VanDerWaalsContact CB-OD2 3.25Å; L300-D364 WeakPolarHBondContact CB-OD2 3.23Å; L300-D364 HydrophobicContact CD1-CB 4.04Å; L300-D364 HydrophobicContact CD2-CB 4.2Å; L300-D364 HydrophobicContact CG-CB 4.28Å
301	P	98.2	Very high	97.2	Very high	70 Å²	70	37.8 Å²	37.8	46%	0.455	22%	0.215	S	C	.	.	H	α-helix	trans	-68	-40.7	-164.4	22.9	-32.1	0	0	0	114.5	A305 D364	P301-A305 VanDerWaalsContact O-CB 3.27Å; P301-A305 WeakPolarHBondContact O-CB 3.47Å; P301-A305 PolarHBondContact O-N 3.35Å; P301-A305 VanDerWaalsContact O-N 3.08Å; P301-D364 WeakPolarHBondContact CD-OD1 3.02Å; P301-D364 WeakPolarHBondContact CG-OD1 3.37Å
302	N	98.5	Very high	97.3	Very high	39 Å²	39	39.8 Å²	39.8	21%	0.209	22%	0.224	C	C	.	.	H	α-helix	trans	-76.1	-41.6	178.2	-64.5	-88.1	0	0	0	110.9	L300 L304 A305 E306 A360 K363 D364	L300-N302 PolarHBondContact O-N 3.21Å; N302-L304 VanDerWaalsContact C-N 3.33Å; N302-L304 PolarHBondContact O-N 3Å; N302-A305 PolarHBondContact O-N 3.18Å; N302-E306 WeakPolarHBondContact O-CG 3.4Å; N302-E306 PolarHBondContact O-N 3.04Å; N302-A360 HydrophobicContact CB-CB 3.95Å; N302-K363 HydrophobicContact CB-CD 4.31Å; N302-K363 WeakPolarHBondContact OD1-CD 3.36Å; N302-K363 VanDerWaalsContact OD1-CE 3.32Å; N302-K363 WeakPolarHBondContact OD1-CE 3.27Å; N302-K363 PolarHBondContact OD1-NZ 3.12Å; N302-D364 VanDerWaalsContact CA-OD2 3.31Å; N302-D364 WeakPolarHBondContact CA-OD2 3.3Å; N302-D364 VanDerWaalsContact CB-OD2 3.32Å; N302-D364 WeakPolarHBondContact CB-OD2 3.13Å; N302-D364 PolarHBondContact N-OD1 2.83Å; N302-D364 PolarHBondContact N-OD2 3.09Å; N302-D364 PolarHBondContact ND2-OD1 3.25Å
303	V	98.6	Very high	97.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-55.8	-49.6	175	172.6	0	0	0	0	110.3	F298 L300 A305 E306 A307 M319 F334 L357 A360 Y361 D364	F298-V303 HydrophobicContact CB-CG1 4.2Å; L300-V303 HydrophobicContact CB-CB 4.09Å; L300-V303 HydrophobicContact CB-CG2 4.1Å; L300-V303 HydrophobicContact CD1-CG2 4.26Å; L300-V303 PolarHBondContact O-N 2.59Å; V303-A305 PolarHBondContact O-N 3.13Å; V303-E306 PolarHBondContact O-N 3.44Å; V303-A307 VanDerWaalsContact O-CB 3.31Å; V303-A307 WeakPolarHBondContact O-CB 3.36Å; V303-A307 PolarHBondContact O-N 3.06Å; V303-M319 HydrophobicContact CG1-CB 3.67Å; V303-M319 HydrophobicContact CG1-CG 4.13Å; V303-F334 HydrophobicContact CG1-CE1 4.44Å; V303-L357 HydrophobicContact CG1-CD1 3.82Å; V303-A360 HydrophobicContact CG2-CB 4.34Å; V303-Y361 VanDerWaalsContact CG2-CA 3.46Å; V303-D364 PolarHBondContact N-OD2 2.83Å
304	L	98.4	Very high	97.7	Very high	18 Å²	18	37 Å²	37	9%	0.094	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-36.2	-179.5	-173.7	55.4	0	0	0	112.1	L300 N302 R308 M316	L300-L304 VanDerWaalsContact O-CB 3.23Å; L300-L304 WeakPolarHBondContact O-CB 3.28Å; L300-L304 PolarHBondContact O-N 3.04Å; N302-L304 VanDerWaalsContact C-N 3.33Å; N302-L304 PolarHBondContact O-N 3Å; L304-R308 HydrophobicContact CD1-CG 4.26Å; L304-R308 WeakPolarHBondContact O-CB 3.31Å; L304-R308 WeakPolarHBondContact O-CG 3.29Å; L304-R308 PolarHBondContact O-N 3.16Å; L304-M316 HydrophobicContact CD1-CB 4.37Å; L304-M316 HydrophobicContact CD1-CG 4.12Å
305	A	98.6	Very high	97.9	Very high	53 Å²	53	37.6 Å²	37.6	44%	0.438	22%	0.221	S	C	.	.	H	α-helix	trans	-63.9	-47.9	175.2	0	0	0	0	0	112.1	P301 N302 V303 R308 A309	P301-A305 VanDerWaalsContact O-CB 3.27Å; P301-A305 WeakPolarHBondContact O-CB 3.47Å; P301-A305 PolarHBondContact O-N 3.35Å; P301-A305 VanDerWaalsContact O-N 3.08Å; N302-A305 PolarHBondContact O-N 3.18Å; V303-A305 PolarHBondContact O-N 3.13Å; A305-R308 PolarHBondContact O-N 2.96Å; A305-A309 WeakPolarHBondContact O-CB 3.36Å; A305-A309 PolarHBondContact O-N 3.08Å
306	E	98.5	Very high	98.1	Very high	64 Å²	64	37.2 Å²	37.2	30%	0.299	22%	0.219	S	C	.	.	H	α-helix	trans	-64.1	-43	176.8	-71.9	-61.9	152.1	0	0	111.6	N302 V303 R308 A309 H310 S356 A360 M372	N302-E306 WeakPolarHBondContact O-CG 3.4Å; N302-E306 PolarHBondContact O-N 3.04Å; V303-E306 PolarHBondContact O-N 3.44Å; E306-R308 PolarHBondContact O-N 3.23Å; E306-A309 PolarHBondContact O-N 2.94Å; E306-H310 VanDerWaalsContact O-CB 3.26Å; E306-H310 WeakPolarHBondContact O-CB 3.41Å; E306-H310 PolarHBondContact O-N 2.77Å; E306-S356 WeakPolarHBondContact OE2-CB 3.41Å; E306-S356 PolarHBondContact OE2-OG 2.85Å; E306-A360 HydrophobicContact CB-CB 4.26Å; E306-A360 HydrophobicContact CG-CB 3.68Å; E306-M372 HydrophobicContact CG-CE 4.48Å
307	A	98.6	Very high	98.1	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-48.6	176.8	0	0	0	0	0	111.6	V303 A309 H310 F311 M316 M319 L357	V303-A307 VanDerWaalsContact O-CB 3.31Å; V303-A307 WeakPolarHBondContact O-CB 3.36Å; V303-A307 PolarHBondContact O-N 3.06Å; A307-A309 VanDerWaalsContact C-N 3.31Å; A307-A309 PolarHBondContact O-N 3.12Å; A307-H310 PolarHBondContact O-N 2.83Å; A307-F311 HydrophobicContact CB-CD2 4.25Å; A307-F311 HydrophobicContact CB-CE2 4.31Å; A307-F311 WeakPolarHBondContact O-CB 3.36Å; A307-F311 WeakPolarHBondContact O-CD2 3.05Å; A307-F311 PolarHBondContact O-N 2.96Å; A307-M316 HydrophobicContact CB-CE 3.83Å; A307-M316 HydrophobicContact CB-SD 3.74Å; A307-M319 HydrophobicContact CB-SD 4.03Å; A307-L357 HydrophobicContact CB-CD1 3.88Å
308	R	98.6	Very high	98.1	Very high	95 Å²	95	38.5 Å²	38.5	36%	0.358	23%	0.226	S	C	.	.	H	α-helix	trans	-58.2	-43.3	177.1	-74.4	173.1	171.5	163	-2.5	112	L304 A305 E306 N312 C313 P314 M316	L304-R308 HydrophobicContact CD1-CG 4.26Å; L304-R308 WeakPolarHBondContact O-CB 3.31Å; L304-R308 WeakPolarHBondContact O-CG 3.29Å; L304-R308 PolarHBondContact O-N 3.16Å; A305-R308 PolarHBondContact O-N 2.96Å; E306-R308 PolarHBondContact O-N 3.23Å; R308-N312 CarbonylContact O-C 3.5Å; R308-N312 VanDerWaalsContact O-CA 3.27Å; R308-N312 WeakPolarHBondContact O-CA 3.15Å; R308-N312 PolarHBondContact O-N 3.47Å; R308-N312 VanDerWaalsContact O-N 3.07Å; R308-C313 WeakPolarHBondContact CG-O 3.33Å; R308-C313 PolarHBondContact O-N 3.36Å; R308-P314 PolarHBondContact NE-O 3.03Å; R308-M316 HydrophobicContact CG-CB 3.9Å; R308-M316 PolarHBondContact NE-O 3.34Å; R308-M316 PolarHBondContact NH2-O 3.29Å
309	A	98.4	Very high	98.1	Very high	67 Å²	67	38.5 Å²	38.5	55%	0.554	23%	0.226	S	C	*	.	H	α-helix	trans	-68.3	-46.8	179.6	0	0	0	0	0	111.8	A305 E306 A307 N312	A305-A309 WeakPolarHBondContact O-CB 3.36Å; A305-A309 PolarHBondContact O-N 3.08Å; E306-A309 PolarHBondContact O-N 2.94Å; A307-A309 VanDerWaalsContact C-N 3.31Å; A307-A309 PolarHBondContact O-N 3.12Å; A309-N312 PolarHBondContact O-N 3.07Å
310	H	98.2	Very high	98	Very high	22 Å²	22	37 Å²	37	10%	0.102	22%	0.217	C	C	.	.	H	α-helix	trans	-63.8	-53.2	-178.7	179.9	77.9	0	0	0	112	E306 A307 N312 W378 F380 K382 N383	E306-H310 VanDerWaalsContact O-CB 3.26Å; E306-H310 WeakPolarHBondContact O-CB 3.41Å; E306-H310 PolarHBondContact O-N 2.77Å; A307-H310 PolarHBondContact O-N 2.83Å; H310-N312 PolarHBondContact O-N 3.29Å; H310-W378 AromaticContact CD2-CE3 3.73Å; H310-W378 AromaticContact CD2-CH2 3.72Å; H310-W378 AromaticContact CD2-CZ3 3.23Å; H310-W378 WeakPolarHBondContact CD2-CZ3 2.91Å; H310-W378 AromaticContact CE1-CD2 3.82Å; H310-W378 AromaticContact CE1-CE3 3.35Å; H310-W378 AromaticContact CE1-CZ3 3.72Å; H310-W378 PolarHBondContact CE1-O 3.17Å; H310-W378 VanDerWaalsContact CE1-O 3.3Å; H310-W378 AromaticContact CG-CZ3 3.88Å; H310-W378 AromaticContact ND1-CE3 3.93Å; H310-W378 AromaticContact NE2-CD2 3.75Å; H310-W378 AromaticContact NE2-CE3 3.23Å; H310-W378 AromaticContact NE2-CH2 3.48Å; H310-W378 WeakPolarHBondContact NE2-CH2 3.36Å; H310-W378 AromaticContact NE2-CZ2 3.94Å; H310-W378 AromaticContact NE2-CZ3 3.12Å; H310-W378 WeakPolarHBondContact NE2-CZ3 3.41Å; H310-F380 PolarHBondContact NE2-O 3.44Å; H310-K382 CarbonylContact O-C 3.49Å; H310-K382 VanDerWaalsContact O-CA 3.31Å; H310-K382 WeakPolarHBondContact O-CA 3.28Å; H310-N383 PolarHBondContact O-N 2.77Å
311	F	98.3	Very high	97.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-75.1	-12	-179.6	-64.1	-65	0	0	0	113.1	A307 C313 M316 M319 I338 W378 G381 N383 W384 G385 F388 V389	A307-F311 HydrophobicContact CB-CD2 4.25Å; A307-F311 HydrophobicContact CB-CE2 4.31Å; A307-F311 WeakPolarHBondContact O-CB 3.36Å; A307-F311 WeakPolarHBondContact O-CD2 3.05Å; A307-F311 PolarHBondContact O-N 2.96Å; F311-C313 VanDerWaalsContact C-N 3.34Å; F311-C313 HydrophobicContact CB-CB 4.37Å; F311-M316 HydrophobicContact CD2-CE 4.2Å; F311-M316 HydrophobicContact CD2-SD 3.98Å; F311-M316 HydrophobicContact CE2-CE 4.17Å; F311-M319 HydrophobicContact CE2-CE 4.48Å; F311-M319 HydrophobicContact CE2-SD 4.08Å; F311-I338 HydrophobicContact CE1-CB 4.42Å; F311-I338 VanDerWaalsContact CE1-O 3.29Å; F311-I338 WeakPolarHBondContact CE1-O 3.23Å; F311-I338 HydrophobicContact CE2-CD1 4.48Å; F311-I338 HydrophobicContact CZ-CB 4.25Å; F311-I338 HydrophobicContact CZ-CD1 4.34Å; F311-I338 HydrophobicContact CZ-CG1 4.38Å; F311-I338 WeakPolarHBondContact CZ-O 3.21Å; F311-W378 HydrophobicContact CE1-CH2 4.03Å; F311-W378 AromaticContact CZ-CH2 3.72Å; F311-W378 HydrophobicContact CZ-CH2 3.72Å; F311-W378 HydrophobicContact CZ-CZ3 4.35Å; F311-G381 WeakPolarHBondContact CD1-O 2.98Å; F311-N383 CarbonylContact O-C 3.38Å; F311-W384 PolarHBondContact O-N 3.23Å; F311-G385 VanDerWaalsContact O-CA 3.3Å; F311-G385 WeakPolarHBondContact O-CA 3.03Å; F311-G385 PolarHBondContact O-N 3.25Å; F311-F388 HydrophobicContact CD1-CD1 4.25Å; F311-F388 HydrophobicContact CD1-CE1 4.3Å; F311-F388 HydrophobicContact CE1-CD1 4.44Å; F311-F388 HydrophobicContact CE1-CE1 4.05Å; F311-V389 HydrophobicContact CB-CG2 3.65Å; F311-V389 HydrophobicContact CD1-CG2 3.83Å; F311-V389 HydrophobicContact CD2-CG2 3.9Å; F311-V389 HydrophobicContact CE1-CG2 4.46Å; F311-V389 HydrophobicContact CG-CG2 3.53Å
312	N	98.1	Very high	97.5	Very high	94 Å²	94	34 Å²	34	50%	0.503	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	49.3	-167.4	-171.4	28.9	0	0	0	111.8	R308 A309 H310 N383	R308-N312 CarbonylContact O-C 3.5Å; R308-N312 VanDerWaalsContact O-CA 3.27Å; R308-N312 WeakPolarHBondContact O-CA 3.15Å; R308-N312 PolarHBondContact O-N 3.47Å; R308-N312 VanDerWaalsContact O-N 3.07Å; A309-N312 PolarHBondContact O-N 3.07Å; H310-N312 PolarHBondContact O-N 3.29Å; N312-N383 HydrophobicContact CB-CB 4.34Å
313	C	98.4	Very high	96.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.203	C	C	.	.			trans	-126.5	85.7	177.5	-178.9	0	0	0	0	112	R308 F311 T315 M316 C386	R308-C313 WeakPolarHBondContact CG-O 3.33Å; R308-C313 PolarHBondContact O-N 3.36Å; F311-C313 VanDerWaalsContact C-N 3.34Å; F311-C313 HydrophobicContact CB-CB 4.37Å; C313-T315 PolarHBondContact O-N 3.23Å; C313-T315 VanDerWaalsContact O-N 3.17Å; C313-M316 HydrophobicContact CB-CB 4.39Å; C313-M316 WeakPolarHBondContact O-CB 3.5Å; C313-M316 PolarHBondContact O-N 3.41Å; C313-C386 WeakPolarHBondContact CA-SG 3.17Å; C313-C386 HydrophobicContact CB-CB 4.01Å; C313-C386 WeakPolarHBondContact CB-SG 3.19Å; C313-C386 WeakPolarHBondContact SG-CA 3.3Å; C313-C386 WeakPolarHBondContact SG-CB 3.48Å; C313-C386 CovalentContact SG-SG 2.04Å; C313-C386 PolarHBondContact SG-SG 3.29Å
314	P	97.8	Very high	95.6	Very high	92 Å²	92	37.1 Å²	37.1	60%	0.597	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.6	-178.4	-25.5	35.4	0	0	0	114.9	R308 M316	R308-P314 PolarHBondContact NE-O 3.03Å; P314-M316 VanDerWaalsContact C-N 3.33Å
315	T	96.9	Very high	93.8	Very high	91 Å²	91	37.9 Å²	37.9	56%	0.558	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	2.2	-178.7	56.4	0	0	0	0	113.8	C313 D317 C386 Q390	C313-T315 PolarHBondContact O-N 3.23Å; C313-T315 VanDerWaalsContact O-N 3.17Å; T315-D317 PolarHBondContact O-N 3.22Å; T315-C386 PolarHBondContact OG1-SG 3.33Å; T315-Q390 PolarHBondContact O-NE2 3.04Å
316	M	97.4	Very high	92.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	23%	0.225	C	C	.	.			trans	-57.3	128	173.8	-168.9	168.6	-178.7	0	0	109.5	L304 A307 R308 F311 C313 P314 G318 M319 I338 V389	L304-M316 HydrophobicContact CD1-CB 4.37Å; L304-M316 HydrophobicContact CD1-CG 4.12Å; A307-M316 HydrophobicContact CB-CE 3.83Å; A307-M316 HydrophobicContact CB-SD 3.74Å; R308-M316 HydrophobicContact CG-CB 3.9Å; R308-M316 PolarHBondContact NE-O 3.34Å; R308-M316 PolarHBondContact NH2-O 3.29Å; F311-M316 HydrophobicContact CD2-CE 4.2Å; F311-M316 HydrophobicContact CD2-SD 3.98Å; F311-M316 HydrophobicContact CE2-CE 4.17Å; C313-M316 HydrophobicContact CB-CB 4.39Å; C313-M316 WeakPolarHBondContact O-CB 3.5Å; C313-M316 PolarHBondContact O-N 3.41Å; P314-M316 VanDerWaalsContact C-N 3.33Å; M316-G318 WeakPolarHBondContact CE-O 3.41Å; M316-G318 VanDerWaalsContact CG-O 3.28Å; M316-G318 WeakPolarHBondContact CG-O 3.02Å; M316-M319 HydrophobicContact CE-CB 4.34Å; M316-M319 HydrophobicContact CE-SD 3.56Å; M316-M319 VanDerWaalsContact CE-SD 3.56Å; M316-I338 HydrophobicContact CE-CD1 4.44Å; M316-V389 HydrophobicContact CE-CG1 3.73Å; M316-V389 HydrophobicContact CG-CG1 4.28Å; M316-V389 HydrophobicContact SD-CG1 3.92Å
317	D	96.2	Very high	90.2	Very high	67 Å²	67	39.9 Å²	39.9	36%	0.358	25%	0.25	S	S	.	.			trans	-102.5	-7	-172.7	55	3	0	0	0	113.2	V280 R282 V299 T315	V280-D317 WeakPolarHBondContact CG1-OD2 3.4Å; R282-D317 IonicContact CZ-OD1 2.9Å; R282-D317 IonicContact CZ-OD2 2.88Å; R282-D317 VanDerWaalsContact NH1-CG 3.29Å; R282-D317 IonicContact NH1-OD1 2.67Å; R282-D317 PolarHBondContact NH1-OD1 2.58Å; R282-D317 IonicContact NH1-OD2 3.8Å; R282-D317 PolarHBondContact NH1-OD2 3.02Å; R282-D317 IonicContact NH2-OD1 3.99Å; R282-D317 PolarHBondContact NH2-OD1 3.32Å; V299-D317 WeakPolarHBondContact CG1-O 3.41Å; T315-D317 PolarHBondContact O-N 3.22Å
318	G	97.8	Very high	88.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-177.4	163.1	173.3	0	0	0	0	0	110.4	F298 M316	F298-G318 CarbonylContact O-C 3.55Å; F298-G318 WeakPolarHBondContact O-CA 3.42Å; M316-G318 WeakPolarHBondContact CE-O 3.41Å; M316-G318 VanDerWaalsContact CG-O 3.28Å; M316-G318 WeakPolarHBondContact CG-O 3.02Å
319	M	98	Very high	86.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	111.1	167	-178.4	65.3	-157.2	0	0	109.2	A297 F298 V303 A307 F311 M316 F334 I338 T339 L357	A297-M319 CarbonylContact C-O 3.49Å; A297-M319 VanDerWaalsContact CA-O 3.27Å; A297-M319 WeakPolarHBondContact CA-O 3.24Å; F298-M319 HydrophobicContact CB-CB 4.36Å; F298-M319 PolarHBondContact N-O 3.26Å; F298-M319 PolarHBondContact O-N 3.4Å; V303-M319 HydrophobicContact CG1-CB 3.67Å; V303-M319 HydrophobicContact CG1-CG 4.13Å; A307-M319 HydrophobicContact CB-SD 4.03Å; F311-M319 HydrophobicContact CE2-CE 4.48Å; F311-M319 HydrophobicContact CE2-SD 4.08Å; M316-M319 HydrophobicContact CE-CB 4.34Å; M316-M319 HydrophobicContact CE-SD 3.56Å; M316-M319 VanDerWaalsContact CE-SD 3.56Å; M319-F334 HydrophobicContact CE-CB 3.97Å; M319-F334 HydrophobicContact CE-CD1 4.09Å; M319-F334 HydrophobicContact CE-CG 4.13Å; M319-F334 HydrophobicContact CG-CD1 3.69Å; M319-F334 HydrophobicContact CG-CE1 3.84Å; M319-I338 HydrophobicContact CE-CD1 3.7Å; M319-I338 HydrophobicContact CE-CG1 4.03Å; M319-I338 HydrophobicContact SD-CD1 4.21Å; M319-T339 HydrophobicContact CE-CG2 3.24Å; M319-L357 HydrophobicContact CE-CD2 3.71Å; M319-L357 HydrophobicContact CG-CD1 4.26Å; M319-L357 HydrophobicContact CG-CD2 4.21Å; M319-L357 HydrophobicContact SD-CD1 4.28Å; M319-L357 HydrophobicContact SD-CD2 3.86Å
320	D	96.2	Very high	85.2	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	135.1	-175.8	-67.3	-3	0	0	0	110.7	R282 E335 I338	R282-D320 IonicContact CZ-OD1 3.98Å; R282-D320 IonicContact CZ-OD2 3.68Å; R282-D320 IonicContact NE-OD1 3.8Å; R282-D320 IonicContact NE-OD2 2.81Å; R282-D320 PolarHBondContact NE-OD2 2.74Å; R282-D320 IonicContact NH2-OD1 2.59Å; R282-D320 PolarHBondContact NH2-OD1 2.8Å; R282-D320 IonicContact NH2-OD2 2.96Å; D320-E335 HydrophobicContact CB-CB 3.81Å; D320-E335 HydrophobicContact CB-CG 4.31Å; D320-E335 WeakPolarHBondContact O-CB 3.34Å; D320-E335 PolarHBondContact O-N 2.9Å; D320-I338 HydrophobicContact CB-CD1 4.47Å
321	L	95.5	Very high	84.6	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-94.4	151.9	171.8	-67.9	172	0	0	0	109.5	Y239 V277 D296 F298 N323 F331 H333	Y239-L321 HydrophobicContact CE2-CD1 4.34Å; V277-L321 HydrophobicContact CG1-CD1 4.11Å; V277-L321 HydrophobicContact CG2-CD1 4.19Å; D296-L321 HydrophobicContact CB-CD1 4.3Å; D296-L321 WeakPolarHBondContact O-CB 3.02Å; D296-L321 PolarHBondContact O-N 2.77Å; F298-L321 HydrophobicContact CD2-CD2 3.56Å; F298-L321 HydrophobicContact CD2-CG 4.16Å; F298-L321 HydrophobicContact CE1-CD1 4.39Å; F298-L321 HydrophobicContact CE2-CD1 4.43Å; F298-L321 HydrophobicContact CE2-CD2 3.27Å; F298-L321 HydrophobicContact CE2-CG 4.22Å; F298-L321 HydrophobicContact CG-CD2 4.4Å; F298-L321 HydrophobicContact CZ-CD1 4.33Å; F298-L321 HydrophobicContact CZ-CD2 3.82Å; L321-N323 PolarHBondContact O-N 3.4Å; L321-F331 HydrophobicContact CD1-CD2 3.85Å; L321-F331 HydrophobicContact CD1-CE2 4.08Å; L321-H333 WeakPolarHBondContact CA-O 3.35Å; L321-H333 WeakPolarHBondContact CD2-O 3.18Å
322	E	90.5	Very high	84	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.019	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-49.9	128.6	174.1	-84	-67.2	171.5	0	0	111.5	A330 F331 H333 F334 K336 L467	E322-A330 CarbonylContact O-C 3.46Å; E322-A330 WeakPolarHBondContact O-CA 3.39Å; E322-F331 PolarHBondContact O-N 3.5Å; E322-H333 HydrophobicContact CB-CB 4.26Å; E322-H333 HydrophobicContact CG-CB 3.71Å; E322-H333 PolarHBondContact N-O 2.99Å; E322-F334 WeakPolarHBondContact CG-O 3.04Å; E322-K336 WeakPolarHBondContact OE1-CA 3.13Å; E322-K336 WeakPolarHBondContact OE1-CB 3.49Å; E322-K336 PolarHBondContact OE1-N 2.82Å; E322-L467 WeakPolarHBondContact OE2-CD2 3.44Å
323	N	82.6	Confident	83.9	Confident	64 Å²	64	31 Å²	31	34%	0.342	20%	0.204	S	C	.	.			trans	-105.2	-2.1	173	61.1	-104.6	0	0	0	113.1	L321 E335	L321-N323 PolarHBondContact O-N 3.4Å; N323-E335 PolarHBondContact OD1-OE2 3.37Å
324	D	75.8	Confident	83.8	Confident	41 Å²	41	31 Å²	31	22%	0.219	20%	0.204	C	C	.	.	S	Bend	trans	-118	176.8	-176.6	-85.2	-61	0	0	0	112.6	G326 A330 L466 L467	D324-G326 VanDerWaalsContact C-N 3.31Å; D324-G326 PolarHBondContact O-N 3.3Å; D324-A330 WeakPolarHBondContact O-CB 3.3Å; D324-A330 PolarHBondContact O-N 3.07Å; D324-L466 HydrophobicContact CB-CD2 4.49Å; D324-L466 HydrophobicContact CB-CG 4.19Å; D324-L467 HydrophobicContact CB-CD2 3.98Å
325	G	60.1	Low	83.7	Confident	34 Å²	34	26.8 Å²	26.8	35%	0.351	18%	0.176	S	C	.	.	S	Bend	trans	84.5	-9.5	177.4	0	0	0	0	0	116
326	G	66.7	Low	83.5	Confident	42 Å²	42	22.4 Å²	22.4	43%	0.433	15%	0.149	S	C	.	.			trans	88.9	-173.5	178.2	0	0	0	0	0	113.4	D324 G328 T329 A330	D324-G326 VanDerWaalsContact C-N 3.31Å; D324-G326 PolarHBondContact O-N 3.3Å; G326-G328 PolarHBondContact O-N 3.37Å; G326-T329 PolarHBondContact O-N 2.99Å; G326-A330 WeakPolarHBondContact O-CB 3.4Å; G326-A330 PolarHBondContact O-N 2.98Å
327	S	54.6	Low	83.4	Confident	117 Å²	117	22.8 Å²	22.8	82%	0.818	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-18	-169.6	57.5	0	0	0	0	115.7
328	G	57.3	Low	83.4	Confident	9 Å²	9	19.6 Å²	19.6	9%	0.093	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-15.1	175.5	0	0	0	0	0	114.3	C22 K23 V24 G326 V332	C22-G328 VanDerWaalsContact O-O 3.12Å; K23-G328 VanDerWaalsContact CA-O 3.32Å; K23-G328 WeakPolarHBondContact CA-O 3.5Å; V24-G328 PolarHBondContact N-O 3.01Å; G326-G328 PolarHBondContact O-N 3.37Å; G328-V332 VanDerWaalsContact O-CG2 3.28Å; G328-V332 WeakPolarHBondContact O-CG2 3.15Å
329	T	61	Low	83.3	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-45.9	-169	-48.3	0	0	0	0	112	V21 C22 G326 V332 H333 L467	V21-T329 HydrophobicContact CG1-CG2 3.93Å; V21-T329 WeakPolarHBondContact CG1-OG1 3.24Å; C22-T329 PolarHBondContact O-OG1 2.91Å; G326-T329 PolarHBondContact O-N 2.99Å; T329-V332 WeakPolarHBondContact O-CG2 3.32Å; T329-H333 PolarHBondContact O-ND1 2.65Å; T329-L467 HydrophobicContact CG2-CD1 4.16Å; T329-L467 HydrophobicContact CG2-CD2 3.75Å
330	A	72.6	Confident	83.1	Confident	22 Å²	22	20.6 Å²	20.6	18%	0.182	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	145.1	173.6	0	0	0	0	0	110	E322 D324 G326 V332	E322-A330 CarbonylContact O-C 3.46Å; E322-A330 WeakPolarHBondContact O-CA 3.39Å; D324-A330 WeakPolarHBondContact O-CB 3.3Å; D324-A330 PolarHBondContact O-N 3.07Å; G326-A330 WeakPolarHBondContact O-CB 3.4Å; G326-A330 PolarHBondContact O-N 2.98Å; A330-V332 PolarHBondContact O-N 3.44Å
331	F	83.8	Confident	82.9	Confident	59 Å²	59	21.1 Å²	21.1	26%	0.259	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	-11.6	176.5	-162.5	-114.6	0	0	0	115.9	Y239 V277 D296 L321 E322	Y239-F331 HydrophobicContact CD2-CD1 4.35Å; Y239-F331 AromaticContact CD2-CE1 3.67Å; Y239-F331 HydrophobicContact CD2-CE1 3.67Å; Y239-F331 AromaticContact CD2-CZ 3.9Å; Y239-F331 HydrophobicContact CD2-CZ 3.9Å; Y239-F331 AromaticContact CE2-CD1 3.97Å; Y239-F331 HydrophobicContact CE2-CD1 3.97Å; Y239-F331 AromaticContact CE2-CE1 3.75Å; Y239-F331 HydrophobicContact CE2-CE1 3.75Å; Y239-F331 HydrophobicContact CE2-CG 4.48Å; Y239-F331 HydrophobicContact CE2-CZ 4.1Å; Y239-F331 VanDerWaalsContact CE2-O 3.23Å; Y239-F331 WeakPolarHBondContact CE2-O 3.17Å; Y239-F331 PolarHBondContact OH-O 3.12Å; V277-F331 HydrophobicContact CG1-CE2 3.64Å; V277-F331 HydrophobicContact CG1-CZ 4.09Å; D296-F331 HydrophobicContact CB-CD2 3.61Å; D296-F331 HydrophobicContact CB-CE2 3.68Å; L321-F331 HydrophobicContact CD1-CD2 3.85Å; L321-F331 HydrophobicContact CD1-CE2 4.08Å; E322-F331 PolarHBondContact O-N 3.5Å
332	V	87.6	Confident	83	Confident	3 Å²	3	21.1 Å²	21.1	2%	0.018	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	1.1	-177.5	-61	0	0	0	0	114.2	V24 H230 F234 G328 T329 A330	V24-V332 HydrophobicContact CG2-CB 4.17Å; V24-V332 HydrophobicContact CG2-CG1 4.45Å; V24-V332 HydrophobicContact CG2-CG2 3.79Å; H230-V332 PolarHBondContact CE1-O 2.83Å; F234-V332 WeakPolarHBondContact CD1-O 3.27Å; F234-V332 WeakPolarHBondContact CE1-O 3.45Å; G328-V332 VanDerWaalsContact O-CG2 3.28Å; G328-V332 WeakPolarHBondContact O-CG2 3.15Å; T329-V332 WeakPolarHBondContact O-CG2 3.32Å; A330-V332 PolarHBondContact O-N 3.44Å
333	H	94.2	Very high	83.2	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-135.6	159.7	177.9	-62.5	107.2	0	0	0	110.8	C22 H226 H230 L321 E322 T329 M344 G346	C22-H333 WeakPolarHBondContact CB-NE2 3.4Å; H226-H333 AromaticContact CE1-CD2 3.61Å; H226-H333 AromaticContact CE1-NE2 3.55Å; H226-H333 AromaticContact NE2-NE2 3.51Å; H230-H333 AromaticContact CE1-CD2 3.87Å; H230-H333 AromaticContact CE1-NE2 3.51Å; H230-H333 AromaticContact NE2-CD2 3.89Å; H230-H333 AromaticContact NE2-NE2 3.21Å; H230-H333 PolarHBondContact NE2-NE2 3.45Å; L321-H333 WeakPolarHBondContact CA-O 3.35Å; L321-H333 WeakPolarHBondContact CD2-O 3.18Å; E322-H333 HydrophobicContact CB-CB 4.26Å; E322-H333 HydrophobicContact CG-CB 3.71Å; E322-H333 PolarHBondContact N-O 2.99Å; T329-H333 PolarHBondContact O-ND1 2.65Å; H333-M344 CarbonylContact C-O 3.52Å; H333-M344 WeakPolarHBondContact CA-O 3.12Å; H333-M344 WeakPolarHBondContact CB-O 3.27Å; H333-G346 VanDerWaalsContact CG-CA 3.45Å
334	F	96.8	Very high	83.9	Confident	0 Å²	0	18 Å²	18	0%	0	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-71.5	145.4	168	-63.7	-53.3	0	0	0	111.3	F234 F298 V303 M319 E322 K336 T339 E342 M344 L357	F234-F334 HydrophobicContact CE2-CE1 4.04Å; F234-F334 AromaticContact CE2-CE2 3.79Å; F234-F334 HydrophobicContact CE2-CE2 3.79Å; F234-F334 AromaticContact CE2-CZ 3.5Å; F234-F334 HydrophobicContact CE2-CZ 3.5Å; F234-F334 HydrophobicContact CZ-CD1 4.08Å; F234-F334 HydrophobicContact CZ-CD2 4.2Å; F234-F334 AromaticContact CZ-CE1 3.76Å; F234-F334 HydrophobicContact CZ-CE1 3.76Å; F234-F334 AromaticContact CZ-CE2 3.87Å; F234-F334 HydrophobicContact CZ-CE2 3.87Å; F234-F334 HydrophobicContact CZ-CG 4.29Å; F234-F334 AromaticContact CZ-CZ 3.65Å; F234-F334 HydrophobicContact CZ-CZ 3.65Å; F298-F334 HydrophobicContact CD2-CD1 4.32Å; F298-F334 AromaticContact CD2-CE1 3.79Å; F298-F334 HydrophobicContact CD2-CE1 3.79Å; F298-F334 HydrophobicContact CE2-CD1 4.42Å; F298-F334 AromaticContact CE2-CE1 3.91Å; F298-F334 HydrophobicContact CE2-CE1 3.91Å; V303-F334 HydrophobicContact CG1-CE1 4.44Å; M319-F334 HydrophobicContact CE-CB 3.97Å; M319-F334 HydrophobicContact CE-CD1 4.09Å; M319-F334 HydrophobicContact CE-CG 4.13Å; M319-F334 HydrophobicContact CG-CD1 3.69Å; M319-F334 HydrophobicContact CG-CE1 3.84Å; E322-F334 WeakPolarHBondContact CG-O 3.04Å; F334-K336 PolarHBondContact O-N 2.96Å; F334-K336 VanDerWaalsContact O-N 3.08Å; F334-T339 HydrophobicContact CB-CG2 3.65Å; F334-T339 HydrophobicContact CG-CG2 4.37Å; F334-T339 PolarHBondContact O-OG1 2.78Å; F334-E342 WeakPolarHBondContact CD2-OE2 3.43Å; F334-M344 HydrophobicContact CD2-CB 3.68Å; F334-M344 HydrophobicContact CE2-CB 3.9Å; F334-M344 HydrophobicContact CE2-CG 4.49Å; F334-M344 PolarHBondContact N-O 3.18Å; F334-L357 HydrophobicContact CD1-CD2 4.37Å; F334-L357 HydrophobicContact CD2-CD2 3.89Å; F334-L357 HydrophobicContact CD2-CG 4.46Å; F334-L357 HydrophobicContact CE1-CD2 4.25Å; F334-L357 HydrophobicContact CE1-CG 4.28Å; F334-L357 HydrophobicContact CE2-CD2 3.77Å; F334-L357 HydrophobicContact CE2-CG 3.83Å; F334-L357 HydrophobicContact CG-CD2 4.21Å; F334-L357 HydrophobicContact CZ-CD2 3.95Å; F334-L357 HydrophobicContact CZ-CG 3.72Å
335	E	95.1	Very high	84.7	Confident	3 Å²	3	16.2 Å²	16.2	1%	0.014	12%	0.115	C	C	.	.			trans	-53.5	110.9	177.6	172.9	47.4	-122.4	0	0	111.8	D320 N323 R337 I338 T339	D320-E335 HydrophobicContact CB-CB 3.81Å; D320-E335 HydrophobicContact CB-CG 4.31Å; D320-E335 WeakPolarHBondContact O-CB 3.34Å; D320-E335 PolarHBondContact O-N 2.9Å; N323-E335 PolarHBondContact OD1-OE2 3.37Å; E335-R337 VanDerWaalsContact C-N 3.3Å; E335-R337 HydrophobicContact CG-CB 4.24Å; E335-R337 PolarHBondContact O-N 2.89Å; E335-R337 WeakPolarHBondContact OE1-CB 3.49Å; E335-R337 PolarHBondContact OE1-N 3.15Å; E335-I338 HydrophobicContact CB-CG1 4.15Å; E335-I338 HydrophobicContact CG-CG1 4.15Å; E335-I338 WeakPolarHBondContact O-CG1 3.31Å; E335-I338 PolarHBondContact O-N 3.24Å; E335-T339 VanDerWaalsContact C-OG1 3.28Å; E335-T339 PolarHBondContact O-N 2.03Å; E335-T339 VanDerWaalsContact O-N 3.07Å; E335-T339 PolarHBondContact O-OG1 2.81Å
336	K	94.3	Very high	85.8	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.4	-28.9	-172.5	178.5	179.8	176.3	69.1	0	112.3	E322 F334 I338 T339 E340 S347 L467	E322-K336 WeakPolarHBondContact OE1-CA 3.13Å; E322-K336 WeakPolarHBondContact OE1-CB 3.49Å; E322-K336 PolarHBondContact OE1-N 2.82Å; F334-K336 PolarHBondContact O-N 2.96Å; F334-K336 VanDerWaalsContact O-N 3.08Å; K336-I338 PolarHBondContact O-N 3.13Å; K336-I338 VanDerWaalsContact O-N 3.09Å; K336-T339 WeakPolarHBondContact CA-OG1 3.14Å; K336-T339 PolarHBondContact O-N 3.45Å; K336-E340 VanDerWaalsContact CE-OE1 3.29Å; K336-E340 WeakPolarHBondContact CE-OE1 3.27Å; K336-E340 WeakPolarHBondContact CE-OE2 3.33Å; K336-E340 VanDerWaalsContact NZ-CD 3.26Å; K336-E340 PolarHBondContact NZ-O 2.98Å; K336-E340 IonicContact NZ-OE1 2.68Å; K336-E340 PolarHBondContact NZ-OE1 3.3Å; K336-E340 IonicContact NZ-OE2 3.31Å; K336-E340 WeakPolarHBondContact O-CA 3.49Å; K336-E340 PolarHBondContact O-N 3.08Å; K336-S347 WeakPolarHBondContact CD-OG 3.33Å; K336-S347 WeakPolarHBondContact CE-OG 3.37Å; K336-S347 PolarHBondContact NZ-OG 2.87Å; K336-L467 HydrophobicContact CB-CB 4.24Å; K336-L467 WeakPolarHBondContact CB-O 3.07Å; K336-L467 HydrophobicContact CD-CB 3.92Å
337	R	94.7	Very high	86.5	Confident	9 Å²	9	12.9 Å²	12.9	3%	0.034	8%	0.08	C	C	.	.	H	α-helix	trans	-53.1	-35.3	175.4	179.9	-178.3	55.7	83.9	2.2	112.4	E335 F388 V389 L391 Y410 D469	E335-R337 VanDerWaalsContact C-N 3.3Å; E335-R337 HydrophobicContact CG-CB 4.24Å; E335-R337 PolarHBondContact O-N 2.89Å; E335-R337 WeakPolarHBondContact OE1-CB 3.49Å; E335-R337 PolarHBondContact OE1-N 3.15Å; R337-F388 PolarHBondContact NH1-O 3.07Å; R337-F388 VanDerWaalsContact NH1-O 3.1Å; R337-V389 PolarHBondContact NH2-O 2.91Å; R337-V389 VanDerWaalsContact NH2-O 3.1Å; R337-L391 PolarHBondContact NH1-O 2.83Å; R337-Y410 WeakPolarHBondContact CG-OH 3.43Å; R337-D469 WeakPolarHBondContact CD-OD2 3.33Å; R337-D469 IonicContact NE-OD2 3.18Å; R337-D469 PolarHBondContact NE-OD2 2.92Å
338	I	95.8	Very high	87.6	Confident	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-106.2	-10.1	-178.7	65.7	171	0	0	0	113.4	F311 M316 M319 D320 E335 K336 F388 V389	F311-I338 HydrophobicContact CE1-CB 4.42Å; F311-I338 VanDerWaalsContact CE1-O 3.29Å; F311-I338 WeakPolarHBondContact CE1-O 3.23Å; F311-I338 HydrophobicContact CE2-CD1 4.48Å; F311-I338 HydrophobicContact CZ-CB 4.25Å; F311-I338 HydrophobicContact CZ-CD1 4.34Å; F311-I338 HydrophobicContact CZ-CG1 4.38Å; F311-I338 WeakPolarHBondContact CZ-O 3.21Å; M316-I338 HydrophobicContact CE-CD1 4.44Å; M319-I338 HydrophobicContact CE-CD1 3.7Å; M319-I338 HydrophobicContact CE-CG1 4.03Å; M319-I338 HydrophobicContact SD-CD1 4.21Å; D320-I338 HydrophobicContact CB-CD1 4.47Å; E335-I338 HydrophobicContact CB-CG1 4.15Å; E335-I338 HydrophobicContact CG-CG1 4.15Å; E335-I338 WeakPolarHBondContact O-CG1 3.31Å; E335-I338 PolarHBondContact O-N 3.24Å; K336-I338 PolarHBondContact O-N 3.13Å; K336-I338 VanDerWaalsContact O-N 3.09Å; I338-F388 HydrophobicContact CB-CE1 4.01Å; I338-F388 HydrophobicContact CB-CZ 4.42Å; I338-F388 HydrophobicContact CG2-CE1 4.07Å; I338-F388 HydrophobicContact CG2-CZ 4.33Å; I338-V389 HydrophobicContact CD1-CG1 4.14Å
339	T	95.6	Very high	88.7	Confident	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-112	-27.9	-178.8	54.4	0	0	0	0	115.5	M319 F334 E335 K336 D341 E342 S345 L357 W378	M319-T339 HydrophobicContact CE-CG2 3.24Å; F334-T339 HydrophobicContact CB-CG2 3.65Å; F334-T339 HydrophobicContact CG-CG2 4.37Å; F334-T339 PolarHBondContact O-OG1 2.78Å; E335-T339 VanDerWaalsContact C-OG1 3.28Å; E335-T339 PolarHBondContact O-N 2.03Å; E335-T339 VanDerWaalsContact O-N 3.07Å; E335-T339 PolarHBondContact O-OG1 2.81Å; K336-T339 WeakPolarHBondContact CA-OG1 3.14Å; K336-T339 PolarHBondContact O-N 3.45Å; T339-D341 PolarHBondContact O-N 2.98Å; T339-E342 HydrophobicContact CG2-CB 4.43Å; T339-E342 PolarHBondContact O-N 2.9Å; T339-S345 WeakPolarHBondContact CB-OG 3.26Å; T339-S345 PolarHBondContact OG1-OG 2.82Å; T339-L357 HydrophobicContact CG2-CD2 4.33Å; T339-W378 HydrophobicContact CG2-CH2 4.17Å; T339-W378 HydrophobicContact CG2-CZ2 4.5Å; T339-W378 VanDerWaalsContact O-CZ2 3.29Å; T339-W378 WeakPolarHBondContact O-CZ2 3.46Å; T339-W378 PolarHBondContact O-NE1 3.42Å
340	E	93.4	Very high	89.7	Confident	21 Å²	21	11.4 Å²	11.4	10%	0.098	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.9	-80.9	179.8	-168.8	59.8	-143.1	0	0	116.6	K336 S345 F380 S468	K336-E340 VanDerWaalsContact CE-OE1 3.29Å; K336-E340 WeakPolarHBondContact CE-OE1 3.27Å; K336-E340 WeakPolarHBondContact CE-OE2 3.33Å; K336-E340 VanDerWaalsContact NZ-CD 3.26Å; K336-E340 PolarHBondContact NZ-O 2.98Å; K336-E340 IonicContact NZ-OE1 2.68Å; K336-E340 PolarHBondContact NZ-OE1 3.3Å; K336-E340 IonicContact NZ-OE2 3.31Å; K336-E340 WeakPolarHBondContact O-CA 3.49Å; K336-E340 PolarHBondContact O-N 3.08Å; E340-S345 WeakPolarHBondContact O-CB 3.48Å; E340-S345 PolarHBondContact O-OG 2.79Å; E340-F380 HydrophobicContact CB-CD1 3.79Å; E340-F380 HydrophobicContact CB-CD2 3.77Å; E340-F380 HydrophobicContact CB-CE1 3.6Å; E340-F380 HydrophobicContact CB-CE2 3.57Å; E340-F380 HydrophobicContact CB-CG 3.87Å; E340-F380 HydrophobicContact CB-CZ 3.48Å; E340-F380 VanDerWaalsContact CB-CZ 3.48Å; E340-F380 HydrophobicContact CG-CD2 4.22Å; E340-F380 HydrophobicContact CG-CE2 3.94Å; E340-F380 HydrophobicContact CG-CZ 4.23Å; E340-S468 PolarHBondContact OE2-OG 2.8Å
341	D	93.3	Very high	90.2	Very high	14 Å²	14	11.1 Å²	11.1	8%	0.075	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	15.1	-175	61.8	-10.7	0	0	0	113.2	T339 S352 Y353 W378 F380	T339-D341 PolarHBondContact O-N 2.98Å; D341-S352 CarbonylContact O-C 3.59Å; D341-S352 VanDerWaalsContact O-CA 3.25Å; D341-S352 WeakPolarHBondContact O-CA 3.06Å; D341-Y353 HydrophobicContact CB-CD2 4.29Å; D341-Y353 PolarHBondContact O-N 2.77Å; D341-Y353 WeakPolarHBondContact OD2-CE2 3.45Å; D341-W378 VanDerWaalsContact OD1-CD1 3.3Å; D341-W378 PolarHBondContact OD1-NE1 3.31Å; D341-F380 VanDerWaalsContact OD1-CB 3.22Å; D341-F380 WeakPolarHBondContact OD1-CB 2.99Å
342	E	96.4	Very high	90.5	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.009	5%	0.046	C	C	.	.	B	Isolated β-bridge	trans	-69.4	145	167	-150.3	-73.3	146.1	0	0	110	F334 T339 M344 S345 S355 T358 W378	F334-E342 WeakPolarHBondContact CD2-OE2 3.43Å; T339-E342 HydrophobicContact CG2-CB 4.43Å; T339-E342 PolarHBondContact O-N 2.9Å; E342-M344 PolarHBondContact O-N 2.03Å; E342-M344 VanDerWaalsContact O-N 3.12Å; E342-M344 PolarHBondContact OE2-N 3Å; E342-S345 WeakPolarHBondContact O-CB 3.49Å; E342-S345 PolarHBondContact O-N 2.86Å; E342-S345 PolarHBondContact O-OG 2.72Å; E342-S355 VanDerWaalsContact CD-OG 3.32Å; E342-S355 VanDerWaalsContact CG-OG 3.32Å; E342-S355 WeakPolarHBondContact CG-OG 3.37Å; E342-S355 WeakPolarHBondContact OE1-CB 3.34Å; E342-S355 PolarHBondContact OE1-N 3.48Å; E342-S355 PolarHBondContact OE1-OG 2.78Å; E342-T358 VanDerWaalsContact OE1-CB 3.3Å; E342-T358 WeakPolarHBondContact OE1-CB 3.44Å; E342-T358 PolarHBondContact OE1-OG1 3.1Å; E342-T358 PolarHBondContact OE2-OG1 3.47Å; E342-W378 HydrophobicContact CB-CD2 4.35Å; E342-W378 HydrophobicContact CB-CZ2 4.13Å; E342-W378 HydrophobicContact CG-CD2 4.01Å; E342-W378 HydrophobicContact CG-CE3 4.1Å; E342-W378 HydrophobicContact CG-CH2 4.43Å; E342-W378 HydrophobicContact CG-CZ2 4.36Å; E342-W378 HydrophobicContact CG-CZ3 4.29Å
343	L	96.2	Very high	90.8	Very high	3 Å²	3	10.6 Å²	10.6	2%	0.016	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-46.1	-176.5	-177.8	76.6	0	0	0	112.8	W80 I225 H226 A229 S352 Y353 V354 T358	W80-L343 HydrophobicContact CZ2-CD2 4.2Å; I225-L343 HydrophobicContact CB-CD1 4.29Å; I225-L343 HydrophobicContact CG2-CD1 3.91Å; I225-L343 HydrophobicContact CG2-CD2 3.91Å; H226-L343 HydrophobicContact CB-CD1 3.91Å; H226-L343 HydrophobicContact CB-CG 4.2Å; H226-L343 PolarHBondContact ND1-O 2.9Å; A229-L343 HydrophobicContact CB-CD2 4.35Å; L343-S352 WeakPolarHBondContact CD1-OG 3.24Å; L343-Y353 WeakPolarHBondContact CB-O 3.21Å; L343-Y353 PolarHBondContact N-O 2.9Å; L343-V354 HydrophobicContact CB-CG2 4.41Å; L343-V354 HydrophobicContact CD1-CG2 4.1Å; L343-V354 HydrophobicContact CD2-CG1 4.19Å; L343-V354 HydrophobicContact CD2-CG2 3.97Å; L343-V354 HydrophobicContact CG-CG2 4.36Å; L343-T358 HydrophobicContact CD2-CG2 3.96Å
344	M	95.8	Very high	91	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	19.9	-174.1	-61.3	-51.4	-56.2	0	0	113.4	A229 H230 F234 H333 F334 E342 T358	A229-M344 HydrophobicContact CB-CE 4.26Å; A229-M344 HydrophobicContact CB-SD 3.48Å; A229-M344 WeakPolarHBondContact CB-SD 3.43Å; H230-M344 WeakPolarHBondContact CE1-CE 3.29Å; F234-M344 HydrophobicContact CB-CE 4.16Å; F234-M344 HydrophobicContact CD1-CE 3.62Å; F234-M344 HydrophobicContact CD2-CE 4.45Å; F234-M344 HydrophobicContact CD2-CG 3.99Å; F234-M344 HydrophobicContact CE1-CB 4.26Å; F234-M344 HydrophobicContact CE1-CE 4.11Å; F234-M344 HydrophobicContact CE2-CB 4.12Å; F234-M344 HydrophobicContact CE2-CG 3.93Å; F234-M344 HydrophobicContact CG-CE 3.83Å; F234-M344 HydrophobicContact CG-CG 4.32Å; F234-M344 HydrophobicContact CZ-CB 3.93Å; F234-M344 HydrophobicContact CZ-CG 4.2Å; H333-M344 CarbonylContact C-O 3.52Å; H333-M344 WeakPolarHBondContact CA-O 3.12Å; H333-M344 WeakPolarHBondContact CB-O 3.27Å; F334-M344 HydrophobicContact CD2-CB 3.68Å; F334-M344 HydrophobicContact CE2-CB 3.9Å; F334-M344 HydrophobicContact CE2-CG 4.49Å; F334-M344 PolarHBondContact N-O 3.18Å; E342-M344 PolarHBondContact O-N 2.03Å; E342-M344 VanDerWaalsContact O-N 3.12Å; E342-M344 PolarHBondContact OE2-N 3Å; M344-T358 HydrophobicContact CG-CG2 4.03Å; M344-T358 WeakPolarHBondContact CG-OG1 3.21Å
345	S	93.5	Very high	91	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.021	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-69.4	142.6	164.5	-63.3	0	0	0	0	110.8	T339 E340 E342 S347	T339-S345 WeakPolarHBondContact CB-OG 3.26Å; T339-S345 PolarHBondContact OG1-OG 2.82Å; E340-S345 WeakPolarHBondContact O-CB 3.48Å; E340-S345 PolarHBondContact O-OG 2.79Å; E342-S345 WeakPolarHBondContact O-CB 3.49Å; E342-S345 PolarHBondContact O-N 2.86Å; E342-S345 PolarHBondContact O-OG 2.72Å; S345-S347 PolarHBondContact O-N 2.97Å
346	G	82.8	Confident	91.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-72.7	12	-167.6	0	0	0	0	0	117.9	C22 H333 L467	C22-G346 PolarHBondContact N-O 3.07Å; H333-G346 VanDerWaalsContact CG-CA 3.45Å; G346-L467 WeakPolarHBondContact O-CD1 3.17Å
347	S	82	Confident	91.4	Very high	5 Å²	5	12.1 Å²	12.1	4%	0.035	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-147	152.7	178.4	77.4	0	0	0	0	112.1	H20 K336 S345 S349	H20-S347 WeakPolarHBondContact O-CA 3.41Å; K336-S347 WeakPolarHBondContact CD-OG 3.33Å; K336-S347 WeakPolarHBondContact CE-OG 3.37Å; K336-S347 PolarHBondContact NZ-OG 2.87Å; S345-S347 PolarHBondContact O-N 2.97Å; S347-S349 PolarHBondContact O-N 2.79Å
348	Y	78.4	Confident	91.6	Very high	65 Å²	65	11.7 Å²	11.7	26%	0.255	6%	0.06	S	C	.	.			trans	-51.8	132.3	173.2	174.7	-101.1	0	0	0	114.2	H20 L183 S219 K350	H20-Y348 PolarHBondContact O-N 3.47Å; L183-Y348 HydrophobicContact CD1-CD2 3.51Å; L183-Y348 HydrophobicContact CD1-CE2 4.41Å; L183-Y348 HydrophobicContact CD1-CG 3.85Å; S219-Y348 WeakPolarHBondContact CB-OH 3.48Å; S219-Y348 PolarHBondContact OG-OH 3.15Å; Y348-K350 WeakPolarHBondContact OH-CA 3.47Å
349	S	79.4	Confident	91.7	Very high	17 Å²	17	11.7 Å²	11.7	12%	0.119	6%	0.06	C	C	.	.			trans	-126.6	148.5	158.7	58.7	0	0	0	0	108.5	S347 D351 S352	S347-S349 PolarHBondContact O-N 2.79Å; S349-D351 VanDerWaalsContact C-N 3.34Å; S349-D351 VanDerWaalsContact CB-O 3.26Å; S349-D351 WeakPolarHBondContact CB-O 3.25Å; S349-D351 VanDerWaalsContact OG-C 3.31Å; S349-D351 PolarHBondContact OG-O 3.41Å; S349-S352 WeakPolarHBondContact OG-CB 3.39Å
350	K	81.1	Confident	91.9	Very high	13 Å²	13	11.8 Å²	11.8	6%	0.057	6%	0.061	C	C	.	.	S	Bend	trans	-64.3	-40.9	179	-171.5	179.3	-171.6	75.6	0	112.5	G215 S219 Y348 E478 T486 Y488	G215-K350 WeakPolarHBondContact O-CE 3.4Å; G215-K350 PolarHBondContact O-NZ 2.87Å; S219-K350 WeakPolarHBondContact OG-CG 3.22Å; S219-K350 PolarHBondContact OG-O 3.26Å; Y348-K350 WeakPolarHBondContact OH-CA 3.47Å; K350-E478 VanDerWaalsContact CB-CD 3.44Å; K350-E478 WeakPolarHBondContact CB-OE1 3.03Å; K350-E478 WeakPolarHBondContact CB-OE2 3.46Å; K350-E478 HydrophobicContact CD-CG 4.07Å; K350-T486 HydrophobicContact CD-CG2 3.85Å; K350-T486 VanDerWaalsContact CE-CG2 3.46Å; K350-Y488 HydrophobicContact CB-CE2 3.98Å; K350-Y488 HydrophobicContact CD-CD2 3.99Å; K350-Y488 HydrophobicContact CD-CE2 3.64Å; K350-Y488 HydrophobicContact CG-CE2 4.26Å
351	D	83.3	Confident	92.1	Very high	17 Å²	17	10.8 Å²	10.8	9%	0.091	6%	0.056	C	C	.	.	S	Bend	trans	-105.2	119.1	163.5	-76.6	-3.5	0	0	0	107.9	R218 S349 Y353 Y488 H491	R218-D351 WeakPolarHBondContact CD-OD1 3.48Å; R218-D351 IonicContact NE-OD1 3.13Å; R218-D351 IonicContact NH1-OD1 3.9Å; R218-D351 IonicContact NH1-OD2 3.9Å; S349-D351 VanDerWaalsContact C-N 3.34Å; S349-D351 VanDerWaalsContact CB-O 3.26Å; S349-D351 WeakPolarHBondContact CB-O 3.25Å; S349-D351 VanDerWaalsContact OG-C 3.31Å; S349-D351 PolarHBondContact OG-O 3.41Å; D351-Y353 HydrophobicContact CB-CE2 4.06Å; D351-Y488 HydrophobicContact CB-CE1 4.1Å; D351-H491 IonicContact OD1-CE1 2.65Å; D351-H491 PolarHBondContact OD1-CE1 2.72Å; D351-H491 VanDerWaalsContact OD1-CE1 3.23Å; D351-H491 IonicContact OD1-NE2 2.67Å; D351-H491 PolarHBondContact OD1-NE2 3.44Å; D351-H491 IonicContact OD2-CD2 2.99Å; D351-H491 IonicContact OD2-CE1 3.55Å; D351-H491 IonicContact OD2-NE2 3.92Å; D351-H491 PolarHBondContact OD2-NE2 3.03Å
352	S	91.3	Very high	92.4	Very high	17 Å²	17	10.1 Å²	10.1	12%	0.119	5%	0.052	C	C	.	.			trans	-115	145.4	160.8	89	0	0	0	0	109.1	S222 D341 L343 S349	S222-S352 WeakPolarHBondContact OG-CB 3.36Å; S222-S352 PolarHBondContact OG-OG 2.97Å; D341-S352 CarbonylContact O-C 3.59Å; D341-S352 VanDerWaalsContact O-CA 3.25Å; D341-S352 WeakPolarHBondContact O-CA 3.06Å; L343-S352 WeakPolarHBondContact CD1-OG 3.24Å; S349-S352 WeakPolarHBondContact OG-CB 3.39Å
353	Y	94.3	Very high	92.4	Very high	34 Å²	34	14 Å²	14	13%	0.133	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-113.4	124.4	-172.9	-63.8	-85.6	0	0	0	110.5	D341 L343 D351 S355 Q376 D425	D341-Y353 HydrophobicContact CB-CD2 4.29Å; D341-Y353 PolarHBondContact O-N 2.77Å; D341-Y353 WeakPolarHBondContact OD2-CE2 3.45Å; L343-Y353 WeakPolarHBondContact CB-O 3.21Å; L343-Y353 PolarHBondContact N-O 2.9Å; D351-Y353 HydrophobicContact CB-CE2 4.06Å; Y353-S355 VanDerWaalsContact C-N 3.32Å; Y353-S355 PolarHBondContact O-N 3.08Å; Y353-Q376 HydrophobicContact CD1-CB 4.14Å; Y353-D425 PolarHBondContact OH-OD1 3.35Å; Y353-D425 PolarHBondContact OH-OD2 3.14Å
354	V	97.2	Very high	92.5	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.018	7%	0.069	C	C	.	.			trans	-72.8	91	167.9	-165.6	0	0	0	0	108.5	Y79 I225 L343 T358 L359 A375 Q376	Y79-V354 HydrophobicContact CE1-CB 4.21Å; Y79-V354 HydrophobicContact CE1-CG1 3.9Å; Y79-V354 HydrophobicContact CE1-CG2 3.92Å; Y79-V354 HydrophobicContact CE2-CG2 4.49Å; Y79-V354 VanDerWaalsContact OH-CB 3.25Å; Y79-V354 WeakPolarHBondContact OH-CB 3.12Å; Y79-V354 WeakPolarHBondContact OH-CG1 3.3Å; I225-V354 HydrophobicContact CG2-CG2 3.82Å; L343-V354 HydrophobicContact CB-CG2 4.41Å; L343-V354 HydrophobicContact CD1-CG2 4.1Å; L343-V354 HydrophobicContact CD2-CG1 4.19Å; L343-V354 HydrophobicContact CD2-CG2 3.97Å; L343-V354 HydrophobicContact CG-CG2 4.36Å; V354-T358 HydrophobicContact CG1-CG2 4.17Å; V354-L359 HydrophobicContact CG1-CD2 3.78Å; V354-L359 HydrophobicContact CG1-CG 4.24Å; V354-A375 CarbonylContact O-C 3.55Å; V354-A375 WeakPolarHBondContact O-CA 3.29Å; V354-Q376 PolarHBondContact O-N 3.01Å
355	S	97.8	Very high	92.7	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.007	7%	0.069	C	C	.	.			trans	-81.2	172.6	-175.8	78.1	0	0	0	0	112.1	E342 Y353 L357 T358 L359	E342-S355 VanDerWaalsContact CD-OG 3.32Å; E342-S355 VanDerWaalsContact CG-OG 3.32Å; E342-S355 WeakPolarHBondContact CG-OG 3.37Å; E342-S355 WeakPolarHBondContact OE1-CB 3.34Å; E342-S355 PolarHBondContact OE1-N 3.48Å; E342-S355 PolarHBondContact OE1-OG 2.78Å; Y353-S355 VanDerWaalsContact C-N 3.32Å; Y353-S355 PolarHBondContact O-N 3.08Å; S355-L357 PolarHBondContact O-N 2.92Å; S355-L357 VanDerWaalsContact OG-CB 3.24Å; S355-L357 WeakPolarHBondContact OG-CB 3.2Å; S355-L357 PolarHBondContact OG-N 2.91Å; S355-L357 VanDerWaalsContact OG-N 3.1Å; S355-T358 PolarHBondContact O-N 2.94Å; S355-L359 PolarHBondContact O-N 2.85Å
356	S	98.2	Very high	92.8	Very high	28 Å²	28	14.1 Å²	14.1	20%	0.196	7%	0.071	C	C	.	.	H	α-helix	trans	-61.4	-23	170.7	62.8	0	0	0	0	112.4	E306 L359 A360	E306-S356 WeakPolarHBondContact OE2-CB 3.41Å; E306-S356 PolarHBondContact OE2-OG 2.85Å; S356-L359 PolarHBondContact O-N 3.22Å; S356-A360 WeakPolarHBondContact O-CB 3.22Å; S356-A360 PolarHBondContact O-N 2.66Å
357	L	98.4	Very high	93.5	Very high	3 Å²	3	14.4 Å²	14.4	2%	0.016	7%	0.072	C	C	.	.	H	α-helix	trans	-65.5	-51.8	177.3	-172.1	68.5	0	0	0	111.8	V303 A307 M319 F334 T339 S355 L359 A360 Y361 W378	V303-L357 HydrophobicContact CG1-CD1 3.82Å; A307-L357 HydrophobicContact CB-CD1 3.88Å; M319-L357 HydrophobicContact CE-CD2 3.71Å; M319-L357 HydrophobicContact CG-CD1 4.26Å; M319-L357 HydrophobicContact CG-CD2 4.21Å; M319-L357 HydrophobicContact SD-CD1 4.28Å; M319-L357 HydrophobicContact SD-CD2 3.86Å; F334-L357 HydrophobicContact CD1-CD2 4.37Å; F334-L357 HydrophobicContact CD2-CD2 3.89Å; F334-L357 HydrophobicContact CD2-CG 4.46Å; F334-L357 HydrophobicContact CE1-CD2 4.25Å; F334-L357 HydrophobicContact CE1-CG 4.28Å; F334-L357 HydrophobicContact CE2-CD2 3.77Å; F334-L357 HydrophobicContact CE2-CG 3.83Å; F334-L357 HydrophobicContact CG-CD2 4.21Å; F334-L357 HydrophobicContact CZ-CD2 3.95Å; F334-L357 HydrophobicContact CZ-CG 3.72Å; T339-L357 HydrophobicContact CG2-CD2 4.33Å; S355-L357 PolarHBondContact O-N 2.92Å; S355-L357 VanDerWaalsContact OG-CB 3.24Å; S355-L357 WeakPolarHBondContact OG-CB 3.2Å; S355-L357 PolarHBondContact OG-N 2.91Å; S355-L357 VanDerWaalsContact OG-N 3.1Å; L357-L359 VanDerWaalsContact C-N 3.33Å; L357-L359 PolarHBondContact O-N 2.86Å; L357-A360 PolarHBondContact O-N 2.77Å; L357-Y361 PolarHBondContact O-N 2.94Å; L357-Y361 VanDerWaalsContact O-N 3.11Å; L357-W378 HydrophobicContact CD2-CZ3 4.45Å
358	T	98.6	Very high	94.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.9	-44	174.5	-75	0	0	0	0	111.2	W80 E342 L343 M344 V354 S355 A360 Y361 F362	W80-T358 HydrophobicContact CH2-CG2 4.35Å; E342-T358 VanDerWaalsContact OE1-CB 3.3Å; E342-T358 WeakPolarHBondContact OE1-CB 3.44Å; E342-T358 PolarHBondContact OE1-OG1 3.1Å; E342-T358 PolarHBondContact OE2-OG1 3.47Å; L343-T358 HydrophobicContact CD2-CG2 3.96Å; M344-T358 HydrophobicContact CG-CG2 4.03Å; M344-T358 WeakPolarHBondContact CG-OG1 3.21Å; V354-T358 HydrophobicContact CG1-CG2 4.17Å; S355-T358 PolarHBondContact O-N 2.94Å; T358-A360 VanDerWaalsContact C-N 3.31Å; T358-A360 PolarHBondContact O-N 3.42Å; T358-Y361 WeakPolarHBondContact O-CB 3.26Å; T358-Y361 PolarHBondContact O-N 3.33Å; T358-F362 HydrophobicContact CG2-CD2 4.19Å; T358-F362 HydrophobicContact CG2-CE2 3.88Å; T358-F362 VanDerWaalsContact O-CD2 3.29Å; T358-F362 WeakPolarHBondContact O-CD2 2.86Å; T358-F362 PolarHBondContact O-N 2.98Å
359	L	98.8	Very high	95.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.7	-35.9	178.5	-65.1	-163	0	0	0	112.5	W80 T83 V354 S355 S356 L357 Y361 F362 K363 V370 M372 M374 A375	W80-L359 HydrophobicContact CZ3-CD2 4.31Å; T83-L359 HydrophobicContact CG2-CD1 4.1Å; T83-L359 HydrophobicContact CG2-CD2 3.54Å; T83-L359 HydrophobicContact CG2-CG 4.48Å; V354-L359 HydrophobicContact CG1-CD2 3.78Å; V354-L359 HydrophobicContact CG1-CG 4.24Å; S355-L359 PolarHBondContact O-N 2.85Å; S356-L359 PolarHBondContact O-N 3.22Å; L357-L359 VanDerWaalsContact C-N 3.33Å; L357-L359 PolarHBondContact O-N 2.86Å; L359-Y361 VanDerWaalsContact C-N 3.32Å; L359-Y361 PolarHBondContact O-N 2.9Å; L359-F362 PolarHBondContact O-N 3.4Å; L359-K363 PolarHBondContact O-N 3.22Å; L359-V370 HydrophobicContact CB-CG1 3.88Å; L359-V370 HydrophobicContact CD1-CG1 4.3Å; L359-V370 HydrophobicContact CD2-CG1 4.34Å; L359-V370 HydrophobicContact CG-CG1 4.4Å; L359-M372 HydrophobicContact CB-CE 4.15Å; L359-M372 HydrophobicContact CB-SD 3.81Å; L359-M374 HydrophobicContact CD1-CB 4.3Å; L359-A375 HydrophobicContact CD1-CB 3.89Å
360	A	98.7	Very high	96.1	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-65.4	-33.7	175.1	0	0	0	0	0	112.7	N302 V303 E306 S356 L357 T358 K363 D364	N302-A360 HydrophobicContact CB-CB 3.95Å; V303-A360 HydrophobicContact CG2-CB 4.34Å; E306-A360 HydrophobicContact CB-CB 4.26Å; E306-A360 HydrophobicContact CG-CB 3.68Å; S356-A360 WeakPolarHBondContact O-CB 3.22Å; S356-A360 PolarHBondContact O-N 2.66Å; L357-A360 PolarHBondContact O-N 2.77Å; T358-A360 VanDerWaalsContact C-N 3.31Å; T358-A360 PolarHBondContact O-N 3.42Å; A360-K363 WeakPolarHBondContact O-CB 3.32Å; A360-K363 PolarHBondContact O-N 3.32Å; A360-D364 WeakPolarHBondContact O-CB 3.29Å; A360-D364 PolarHBondContact O-N 3.44Å
361	Y	98.7	Very high	96.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.3	-50.9	169.8	174.8	-88.8	0	0	0	110.7	G233 F234 Y239 L242 F298 L300 V303 L357 T358 L359 K363 D364 T365	G233-Y361 PolarHBondContact O-OH 2.75Å; F234-Y361 HydrophobicContact CB-CD1 4.19Å; F234-Y361 HydrophobicContact CB-CE1 3.81Å; F234-Y361 AromaticContact CD2-CD1 3.35Å; F234-Y361 HydrophobicContact CD2-CD1 3.35Å; F234-Y361 AromaticContact CD2-CD2 3.94Å; F234-Y361 HydrophobicContact CD2-CD2 3.94Å; F234-Y361 AromaticContact CD2-CE1 3.71Å; F234-Y361 HydrophobicContact CD2-CE1 3.71Å; F234-Y361 HydrophobicContact CD2-CE2 4.24Å; F234-Y361 AromaticContact CD2-CG 3.49Å; F234-Y361 HydrophobicContact CD2-CG 3.49Å; F234-Y361 VanDerWaalsContact CD2-CG 3.49Å; F234-Y361 HydrophobicContact CE2-CD1 4.06Å; F234-Y361 AromaticContact CE2-CD2 3.89Å; F234-Y361 HydrophobicContact CE2-CD2 3.89Å; F234-Y361 HydrophobicContact CE2-CE2 4.42Å; F234-Y361 AromaticContact CE2-CG 3.68Å; F234-Y361 HydrophobicContact CE2-CG 3.68Å; F234-Y361 HydrophobicContact CG-CD1 4.09Å; F234-Y361 AromaticContact CG-CE1 3.98Å; F234-Y361 HydrophobicContact CG-CE1 3.98Å; F234-Y361 HydrophobicContact CG-CG 4.48Å; Y239-Y361 HydrophobicContact CD1-CE2 4.41Å; Y239-Y361 WeakPolarHBondContact CD1-OH 3.38Å; Y239-Y361 HydrophobicContact CE1-CE2 4.08Å; Y239-Y361 WeakPolarHBondContact CE1-OH 3.33Å; L242-Y361 HydrophobicContact CD2-CE2 4.32Å; F298-Y361 HydrophobicContact CE1-CD2 4.34Å; F298-Y361 AromaticContact CE1-CE2 3.84Å; F298-Y361 HydrophobicContact CE1-CE2 3.84Å; F298-Y361 AromaticContact CE2-CD2 3.96Å; F298-Y361 HydrophobicContact CE2-CD2 3.96Å; F298-Y361 HydrophobicContact CE2-CE2 4.06Å; F298-Y361 AromaticContact CZ-CD2 3.84Å; F298-Y361 HydrophobicContact CZ-CD2 3.84Å; F298-Y361 AromaticContact CZ-CE2 3.46Å; F298-Y361 HydrophobicContact CZ-CE2 3.46Å; F298-Y361 VanDerWaalsContact CZ-CE2 3.46Å; L300-Y361 HydrophobicContact CD1-CD2 3.96Å; L300-Y361 HydrophobicContact CD1-CE2 4.13Å; V303-Y361 VanDerWaalsContact CG2-CA 3.46Å; L357-Y361 PolarHBondContact O-N 2.94Å; L357-Y361 VanDerWaalsContact O-N 3.11Å; T358-Y361 WeakPolarHBondContact O-CB 3.26Å; T358-Y361 PolarHBondContact O-N 3.33Å; L359-Y361 VanDerWaalsContact C-N 3.32Å; L359-Y361 PolarHBondContact O-N 2.9Å; Y361-K363 PolarHBondContact O-N 2.69Å; Y361-D364 CarbonylContact O-C 3.51Å; Y361-D364 WeakPolarHBondContact O-CA 3.23Å; Y361-D364 PolarHBondContact O-N 2.73Å; Y361-T365 HydrophobicContact CD1-CG2 4.18Å; Y361-T365 HydrophobicContact CE1-CG2 3.81Å; Y361-T365 WeakPolarHBondContact O-CG2 3.3Å; Y361-T365 PolarHBondContact O-N 2.86Å
362	F	98.7	Very high	97.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.7	-31.4	178.7	-74.6	-70.4	0	0	0	112.9	W80 L84 A229 L232 F234 T358 L359 T365 Y368 V370	W80-F362 AromaticContact CH2-CD2 3.92Å; W80-F362 HydrophobicContact CH2-CD2 3.92Å; W80-F362 AromaticContact CH2-CE2 3.39Å; W80-F362 HydrophobicContact CH2-CE2 3.39Å; W80-F362 HydrophobicContact CH2-CZ 4.03Å; W80-F362 HydrophobicContact CZ2-CE2 4.35Å; W80-F362 AromaticContact CZ3-CD2 3.83Å; W80-F362 HydrophobicContact CZ3-CD2 3.83Å; W80-F362 AromaticContact CZ3-CE2 3.72Å; W80-F362 HydrophobicContact CZ3-CE2 3.72Å; W80-F362 HydrophobicContact CZ3-CZ 4.31Å; L84-F362 HydrophobicContact CD1-CD1 4.4Å; L84-F362 HydrophobicContact CD2-CB 4.02Å; L84-F362 HydrophobicContact CD2-CG 4.4Å; A229-F362 HydrophobicContact CB-CE2 4.08Å; A229-F362 HydrophobicContact CB-CZ 3.82Å; L232-F362 HydrophobicContact CB-CE1 3.6Å; L232-F362 HydrophobicContact CB-CZ 4.13Å; F234-F362 HydrophobicContact CB-CZ 4.32Å; T358-F362 HydrophobicContact CG2-CD2 4.19Å; T358-F362 HydrophobicContact CG2-CE2 3.88Å; T358-F362 VanDerWaalsContact O-CD2 3.29Å; T358-F362 WeakPolarHBondContact O-CD2 2.86Å; T358-F362 PolarHBondContact O-N 2.98Å; L359-F362 PolarHBondContact O-N 3.4Å; F362-T365 HydrophobicContact CD1-CG2 4.49Å; F362-T365 PolarHBondContact O-N 3.05Å; F362-T365 PolarHBondContact O-OG1 2.86Å; F362-Y368 HydrophobicContact CB-CD2 4.43Å; F362-Y368 HydrophobicContact CD1-CD2 4.02Å; F362-Y368 AromaticContact CD1-CE2 3.99Å; F362-Y368 HydrophobicContact CD1-CE2 3.99Å; F362-V370 HydrophobicContact CB-CG2 4Å
363	K	97.9	Very high	97.9	Very high	83 Å²	83	23.6 Å²	23.6	36%	0.361	13%	0.131	S	C	.	.	H	α-helix	trans	-67.9	-42.2	172.4	-170.4	179.2	175.7	-160.6	0	111.6	N302 L359 A360 Y361 T365 G366 V370	N302-K363 HydrophobicContact CB-CD 4.31Å; N302-K363 WeakPolarHBondContact OD1-CD 3.36Å; N302-K363 VanDerWaalsContact OD1-CE 3.32Å; N302-K363 WeakPolarHBondContact OD1-CE 3.27Å; N302-K363 PolarHBondContact OD1-NZ 3.12Å; L359-K363 PolarHBondContact O-N 3.22Å; A360-K363 WeakPolarHBondContact O-CB 3.32Å; A360-K363 PolarHBondContact O-N 3.32Å; Y361-K363 PolarHBondContact O-N 2.69Å; K363-T365 PolarHBondContact O-N 3.37Å; K363-G366 PolarHBondContact O-N 3.32Å; K363-V370 HydrophobicContact CB-CB 4.43Å; K363-V370 HydrophobicContact CB-CG2 3.93Å
364	D	98.5	Very high	98	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.011	14%	0.136	C	C	.	.	H	α-helix	trans	-71.6	-11.1	178	-81.8	-32.7	0	0	0	114.4	R250 L300 P301 N302 V303 A360 Y361 G366	R250-D364 PolarHBondContact NE-O 3.18Å; R250-D364 IonicContact NH2-OD1 3.53Å; L300-D364 HydrophobicContact CB-CB 3.9Å; L300-D364 VanDerWaalsContact CB-OD2 3.25Å; L300-D364 WeakPolarHBondContact CB-OD2 3.23Å; L300-D364 HydrophobicContact CD1-CB 4.04Å; L300-D364 HydrophobicContact CD2-CB 4.2Å; L300-D364 HydrophobicContact CG-CB 4.28Å; P301-D364 WeakPolarHBondContact CD-OD1 3.02Å; P301-D364 WeakPolarHBondContact CG-OD1 3.37Å; N302-D364 VanDerWaalsContact CA-OD2 3.31Å; N302-D364 WeakPolarHBondContact CA-OD2 3.3Å; N302-D364 VanDerWaalsContact CB-OD2 3.32Å; N302-D364 WeakPolarHBondContact CB-OD2 3.13Å; N302-D364 PolarHBondContact N-OD1 2.83Å; N302-D364 PolarHBondContact N-OD2 3.09Å; N302-D364 PolarHBondContact ND2-OD1 3.25Å; V303-D364 PolarHBondContact N-OD2 2.83Å; A360-D364 WeakPolarHBondContact O-CB 3.29Å; A360-D364 PolarHBondContact O-N 3.44Å; Y361-D364 CarbonylContact O-C 3.51Å; Y361-D364 WeakPolarHBondContact O-CA 3.23Å; Y361-D364 PolarHBondContact O-N 2.73Å; D364-G366 PolarHBondContact O-N 3.13Å
365	T	98.3	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-26.1	171.9	67.6	0	0	0	0	113.5	R243 Y361 F362 K363 W367	R243-T365 PolarHBondContact N-O 3.01Å; R243-T365 CarbonylContact O-C 3.5Å; Y361-T365 HydrophobicContact CD1-CG2 4.18Å; Y361-T365 HydrophobicContact CE1-CG2 3.81Å; Y361-T365 WeakPolarHBondContact O-CG2 3.3Å; Y361-T365 PolarHBondContact O-N 2.86Å; F362-T365 HydrophobicContact CD1-CG2 4.49Å; F362-T365 PolarHBondContact O-N 3.05Å; F362-T365 PolarHBondContact O-OG1 2.86Å; K363-T365 PolarHBondContact O-N 3.37Å; T365-W367 VanDerWaalsContact CB-CE3 3.42Å; T365-W367 HydrophobicContact CG2-CD2 4.32Å; T365-W367 HydrophobicContact CG2-CE3 3.67Å; T365-W367 HydrophobicContact CG2-CZ3 3.79Å; T365-W367 PolarHBondContact O-N 3.18Å; T365-W367 PolarHBondContact OG1-N 2.91Å; T365-W367 VanDerWaalsContact OG1-N 3.15Å
366	G	97.2	Very high	97.9	Very high	7 Å²	7	29.8 Å²	29.8	7%	0.072	17%	0.167	C	C	.	.	S	Bend	trans	73	-0.3	-171.3	0	0	0	0	0	113.9	K87 R243 K363 D364	K87-G366 WeakPolarHBondContact CD-O 3.03Å; R243-G366 PolarHBondContact O-N 3.41Å; K363-G366 PolarHBondContact O-N 3.32Å; D364-G366 PolarHBondContact O-N 3.13Å
367	W	97	Very high	97.6	Very high	6 Å²	6	33.3 Å²	33.3	2%	0.023	18%	0.183	C	C	.	.	S	Bend	trans	-91.4	-30	-178.9	-53.6	-33.6	0	0	0	113.4	K87 T195 D196 R197 P198 F241 L242 T365	K87-W367 VanDerWaalsContact CB-O 3.25Å; K87-W367 WeakPolarHBondContact CB-O 3.47Å; K87-W367 PolarHBondContact N-O 2.67Å; T195-W367 PolarHBondContact O-NE1 3.38Å; T195-W367 VanDerWaalsContact O-NE1 3.08Å; D196-W367 WeakPolarHBondContact O-CZ2 3.41Å; R197-W367 HydrophobicContact CB-CB 3.93Å; R197-W367 HydrophobicContact CB-CD2 4.25Å; R197-W367 HydrophobicContact CB-CG 3.79Å; R197-W367 HydrophobicContact CG-CB 3.8Å; R197-W367 HydrophobicContact CG-CD2 4.46Å; R197-W367 HydrophobicContact CG-CG 4.08Å; P198-W367 VanDerWaalsContact CD-CE3 3.48Å; P198-W367 HydrophobicContact CG-CE3 4.4Å; P198-W367 HydrophobicContact CG-CH2 4.09Å; P198-W367 HydrophobicContact CG-CZ3 3.85Å; F241-W367 HydrophobicContact CB-CZ2 4.35Å; L242-W367 HydrophobicContact CD1-CH2 4.22Å; L242-W367 HydrophobicContact CD1-CZ2 4.34Å; T365-W367 VanDerWaalsContact CB-CE3 3.42Å; T365-W367 HydrophobicContact CG2-CD2 4.32Å; T365-W367 HydrophobicContact CG2-CE3 3.67Å; T365-W367 HydrophobicContact CG2-CZ3 3.79Å; T365-W367 PolarHBondContact O-N 3.18Å; T365-W367 PolarHBondContact OG1-N 2.91Å; T365-W367 VanDerWaalsContact OG1-N 3.15Å
368	Y	97.8	Very high	97.4	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	144.6	-171.7	-52.1	-70.9	0	0	0	112.1	L49 L84 S85 R197 L232 F362	L49-Y368 HydrophobicContact CD1-CE1 4.46Å; L84-Y368 HydrophobicContact CB-CD1 4.16Å; L84-Y368 HydrophobicContact CB-CG 4.4Å; L84-Y368 HydrophobicContact CD1-CD1 4.32Å; L84-Y368 HydrophobicContact CD1-CD2 4.31Å; L84-Y368 HydrophobicContact CD1-CE1 4.45Å; L84-Y368 HydrophobicContact CD1-CE2 4.42Å; L84-Y368 HydrophobicContact CD1-CG 4.26Å; L84-Y368 HydrophobicContact CD2-CG 4.29Å; S85-Y368 CarbonylContact O-C 3.58Å; S85-Y368 WeakPolarHBondContact O-CA 3.5Å; R197-Y368 HydrophobicContact CG-CE1 4.16Å; L232-Y368 PolarHBondContact O-OH 3.36Å; F362-Y368 HydrophobicContact CB-CD2 4.43Å; F362-Y368 HydrophobicContact CD1-CD2 4.02Å; F362-Y368 AromaticContact CD1-CE2 3.99Å; F362-Y368 HydrophobicContact CD1-CE2 3.99Å
369	N	97.3	Very high	97.1	Very high	78 Å²	78	36 Å²	36	42%	0.417	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	134	151.9	-61.8	-45.5	0	0	0	107.1	S85	S85-N369 PolarHBondContact N-O 3.4Å; S85-N369 PolarHBondContact O-N 3.07Å
370	V	98.1	Very high	96.9	Very high	26 Å²	26	36 Å²	36	16%	0.158	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.8	-171.7	-174	0	0	0	0	110.3	T83 L84 L359 F362 K363 M372	T83-V370 HydrophobicContact CG2-CG1 4.16Å; T83-V370 WeakPolarHBondContact O-CA 3.07Å; L84-V370 HydrophobicContact CD2-CB 4.37Å; L84-V370 HydrophobicContact CD2-CG1 4.14Å; L84-V370 HydrophobicContact CD2-CG2 3.77Å; L359-V370 HydrophobicContact CB-CG1 3.88Å; L359-V370 HydrophobicContact CD1-CG1 4.3Å; L359-V370 HydrophobicContact CD2-CG1 4.34Å; L359-V370 HydrophobicContact CG-CG1 4.4Å; F362-V370 HydrophobicContact CB-CG2 4Å; K363-V370 HydrophobicContact CB-CB 4.43Å; K363-V370 HydrophobicContact CB-CG2 3.93Å; V370-M372 HydrophobicContact CB-SD 4.48Å; V370-M372 HydrophobicContact CG1-SD 4.06Å; V370-M372 PolarHBondContact O-N 3.15Å
371	N	98.2	Very high	96.7	Very high	69 Å²	69	36 Å²	36	37%	0.369	19%	0.193	S	C	.	.			trans	-79.1	93.7	170.3	-176.6	9.3	0	0	0	110	T83 S373 M374	T83-N371 PolarHBondContact O-N 3.04Å; N371-S373 PolarHBondContact ND2-OG 2.82Å; N371-S373 PolarHBondContact O-N 2.74Å; N371-S373 VanDerWaalsContact O-N 3.12Å; N371-S373 WeakPolarHBondContact OD1-CB 3.45Å; N371-S373 PolarHBondContact OD1-N 3.14Å; N371-S373 PolarHBondContact OD1-OG 3.21Å; N371-M374 HydrophobicContact CB-CG 4.11Å; N371-M374 WeakPolarHBondContact O-CB 3.48Å; N371-M374 PolarHBondContact O-N 2.87Å; N371-M374 VanDerWaalsContact O-N 3.08Å
372	M	97.6	Very high	96.5	Very high	58 Å²	58	40.1 Å²	40.1	29%	0.286	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-62.6	-17.8	-179.5	-63.1	-60.3	-67.6	0	0	113.5	E306 L359 V370 M374 A375	E306-M372 HydrophobicContact CG-CE 4.48Å; L359-M372 HydrophobicContact CB-CE 4.15Å; L359-M372 HydrophobicContact CB-SD 3.81Å; V370-M372 HydrophobicContact CB-SD 4.48Å; V370-M372 HydrophobicContact CG1-SD 4.06Å; V370-M372 PolarHBondContact O-N 3.15Å; M372-M374 PolarHBondContact O-N 3.43Å; M372-A375 VanDerWaalsContact O-CB 3.31Å; M372-A375 WeakPolarHBondContact O-CB 3.37Å; M372-A375 PolarHBondContact O-N 3.48Å; M372-A375 VanDerWaalsContact O-N 3.15Å
373	S	97.9	Very high	96.3	Very high	96 Å²	96	45 Å²	45	67%	0.671	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-68.7	-12.8	175.5	84.5	0	0	0	0	113.3	N371 A375	N371-S373 PolarHBondContact ND2-OG 2.82Å; N371-S373 PolarHBondContact O-N 2.74Å; N371-S373 VanDerWaalsContact O-N 3.12Å; N371-S373 WeakPolarHBondContact OD1-CB 3.45Å; N371-S373 PolarHBondContact OD1-N 3.14Å; N371-S373 PolarHBondContact OD1-OG 3.21Å; S373-A375 VanDerWaalsContact C-N 3.26Å
374	M	98	Very high	96.2	Very high	49 Å²	49	43.9 Å²	43.9	24%	0.241	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-80.2	-7.9	175.1	-64.5	-64.6	-63.7	0	0	112.7	Y79 N82 T83 L359 N371 M372 Q376	Y79-M374 HydrophobicContact CD2-CE 3.78Å; Y79-M374 HydrophobicContact CE2-CB 4.38Å; Y79-M374 HydrophobicContact CE2-CE 3.78Å; Y79-M374 PolarHBondContact OH-O 2.98Å; N82-M374 HydrophobicContact CB-CE 3.95Å; N82-M374 HydrophobicContact CB-SD 4.36Å; T83-M374 HydrophobicContact CG2-CB 4.05Å; T83-M374 HydrophobicContact CG2-CG 4.42Å; T83-M374 WeakPolarHBondContact OG1-CB 2.98Å; T83-M374 WeakPolarHBondContact OG1-CG 3.24Å; L359-M374 HydrophobicContact CD1-CB 4.3Å; N371-M374 HydrophobicContact CB-CG 4.11Å; N371-M374 WeakPolarHBondContact O-CB 3.48Å; N371-M374 PolarHBondContact O-N 2.87Å; N371-M374 VanDerWaalsContact O-N 3.08Å; M372-M374 PolarHBondContact O-N 3.43Å; M374-Q376 PolarHBondContact O-N 3.46Å
375	A	98	Very high	96.1	Very high	32 Å²	32	44.5 Å²	44.5	26%	0.264	24%	0.237	S	C	.	.			trans	-63.2	129.5	174.6	0	0	0	0	0	110.1	V354 L359 M372 S373	V354-A375 CarbonylContact O-C 3.55Å; V354-A375 WeakPolarHBondContact O-CA 3.29Å; L359-A375 HydrophobicContact CD1-CB 3.89Å; M372-A375 VanDerWaalsContact O-CB 3.31Å; M372-A375 WeakPolarHBondContact O-CB 3.37Å; M372-A375 PolarHBondContact O-N 3.48Å; M372-A375 VanDerWaalsContact O-N 3.15Å; S373-A375 VanDerWaalsContact C-N 3.26Å
376	Q	94.9	Very high	96.1	Very high	87 Å²	87	45.9 Å²	45.9	41%	0.407	25%	0.247	S	C	.	.			trans	-76.8	153.8	170.4	-63.5	176.2	-70.2	0	0	109.9	Y353 V354 M374 W378	Y353-Q376 HydrophobicContact CD1-CB 4.14Å; V354-Q376 PolarHBondContact O-N 3.01Å; M374-Q376 PolarHBondContact O-N 3.46Å; Q376-W378 VanDerWaalsContact C-N 3.27Å; Q376-W378 PolarHBondContact O-N 2.74Å
377	N	91	Very high	96.1	Very high	102 Å²	102	47.2 Å²	47.2	55%	0.545	25%	0.252	S	S	.	.			trans	-75.3	81.5	176.8	-178.1	38.9	0	0	0	110.5
378	W	93.7	Very high	96.1	Very high	7 Å²	7	47 Å²	47	3%	0.027	25%	0.251	C	S	.	.			trans	-70.2	131.4	170	178.2	51.8	0	0	0	110	H310 F311 T339 D341 E342 L357 Q376 F380	H310-W378 AromaticContact CD2-CE3 3.73Å; H310-W378 AromaticContact CD2-CH2 3.72Å; H310-W378 AromaticContact CD2-CZ3 3.23Å; H310-W378 WeakPolarHBondContact CD2-CZ3 2.91Å; H310-W378 AromaticContact CE1-CD2 3.82Å; H310-W378 AromaticContact CE1-CE3 3.35Å; H310-W378 AromaticContact CE1-CZ3 3.72Å; H310-W378 PolarHBondContact CE1-O 3.17Å; H310-W378 VanDerWaalsContact CE1-O 3.3Å; H310-W378 AromaticContact CG-CZ3 3.88Å; H310-W378 AromaticContact ND1-CE3 3.93Å; H310-W378 AromaticContact NE2-CD2 3.75Å; H310-W378 AromaticContact NE2-CE3 3.23Å; H310-W378 AromaticContact NE2-CH2 3.48Å; H310-W378 WeakPolarHBondContact NE2-CH2 3.36Å; H310-W378 AromaticContact NE2-CZ2 3.94Å; H310-W378 AromaticContact NE2-CZ3 3.12Å; H310-W378 WeakPolarHBondContact NE2-CZ3 3.41Å; F311-W378 HydrophobicContact CE1-CH2 4.03Å; F311-W378 AromaticContact CZ-CH2 3.72Å; F311-W378 HydrophobicContact CZ-CH2 3.72Å; F311-W378 HydrophobicContact CZ-CZ3 4.35Å; T339-W378 HydrophobicContact CG2-CH2 4.17Å; T339-W378 HydrophobicContact CG2-CZ2 4.5Å; T339-W378 VanDerWaalsContact O-CZ2 3.29Å; T339-W378 WeakPolarHBondContact O-CZ2 3.46Å; T339-W378 PolarHBondContact O-NE1 3.42Å; D341-W378 VanDerWaalsContact OD1-CD1 3.3Å; D341-W378 PolarHBondContact OD1-NE1 3.31Å; E342-W378 HydrophobicContact CB-CD2 4.35Å; E342-W378 HydrophobicContact CB-CZ2 4.13Å; E342-W378 HydrophobicContact CG-CD2 4.01Å; E342-W378 HydrophobicContact CG-CE3 4.1Å; E342-W378 HydrophobicContact CG-CH2 4.43Å; E342-W378 HydrophobicContact CG-CZ2 4.36Å; E342-W378 HydrophobicContact CG-CZ3 4.29Å; L357-W378 HydrophobicContact CD2-CZ3 4.45Å; Q376-W378 VanDerWaalsContact C-N 3.27Å; Q376-W378 PolarHBondContact O-N 2.74Å; W378-F380 HydrophobicContact CZ2-CB 4.24Å; W378-F380 HydrophobicContact CZ2-CD1 4.22Å; W378-F380 VanDerWaalsContact CZ2-O 3.27Å; W378-F380 WeakPolarHBondContact CZ2-O 3.27Å
379	R	92.4	Very high	96	Very high	52 Å²	52	47 Å²	47	20%	0.196	25%	0.252	C	S	.	.			trans	-116.5	-26.4	-170	-75.2	-168.9	-74.8	-166.1	-6.5	113.9	G381 K382 Y424 D425 D426	R379-G381 PolarHBondContact O-N 3.47Å; R379-K382 VanDerWaalsContact O-CB 3.24Å; R379-K382 WeakPolarHBondContact O-CB 3.26Å; R379-K382 PolarHBondContact O-N 3.33Å; R379-Y424 WeakPolarHBondContact CB-O 3.29Å; R379-Y424 WeakPolarHBondContact CD-O 3.33Å; R379-Y424 PolarHBondContact NE-O 3.18Å; R379-D425 IonicContact CZ-OD1 2.87Å; R379-D425 IonicContact NH2-OD1 3.8Å; R379-D425 PolarHBondContact NH2-OD1 2.86Å; R379-D426 IonicContact CZ-OD2 3.69Å; R379-D426 IonicContact NH1-OD2 3.79Å; R379-D426 PolarHBondContact NH1-OD2 2.04Å; R379-D426 VanDerWaalsContact NH1-OD2 3.07Å; R379-D426 IonicContact NH2-OD2 3.77Å; R379-D426 PolarHBondContact NH2-OD2 2.71Å
380	F	94.2	Very high	95.9	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	136.5	177.7	-173.8	-86.9	0	0	0	110.5	H310 E340 D341 W378 K382 W384 F388 P409 Y424	H310-F380 PolarHBondContact NE2-O 3.44Å; E340-F380 HydrophobicContact CB-CD1 3.79Å; E340-F380 HydrophobicContact CB-CD2 3.77Å; E340-F380 HydrophobicContact CB-CE1 3.6Å; E340-F380 HydrophobicContact CB-CE2 3.57Å; E340-F380 HydrophobicContact CB-CG 3.87Å; E340-F380 HydrophobicContact CB-CZ 3.48Å; E340-F380 VanDerWaalsContact CB-CZ 3.48Å; E340-F380 HydrophobicContact CG-CD2 4.22Å; E340-F380 HydrophobicContact CG-CE2 3.94Å; E340-F380 HydrophobicContact CG-CZ 4.23Å; D341-F380 VanDerWaalsContact OD1-CB 3.22Å; D341-F380 WeakPolarHBondContact OD1-CB 2.99Å; W378-F380 HydrophobicContact CZ2-CB 4.24Å; W378-F380 HydrophobicContact CZ2-CD1 4.22Å; W378-F380 VanDerWaalsContact CZ2-O 3.27Å; W378-F380 WeakPolarHBondContact CZ2-O 3.27Å; F380-K382 PolarHBondContact O-N 2.93Å; F380-K382 VanDerWaalsContact O-N 3.12Å; F380-W384 HydrophobicContact CD1-CZ3 4.27Å; F380-W384 AromaticContact CD2-CH2 3.96Å; F380-W384 HydrophobicContact CD2-CH2 3.96Å; F380-W384 HydrophobicContact CD2-CZ3 4.22Å; F380-W384 HydrophobicContact CE1-CZ3 4.16Å; F380-W384 HydrophobicContact CE2-CH2 4.11Å; F380-W384 HydrophobicContact CE2-CZ3 4.1Å; F380-W384 HydrophobicContact CG-CH2 4.26Å; F380-W384 HydrophobicContact CG-CZ3 4.31Å; F380-W384 HydrophobicContact CZ-CZ3 4.07Å; F380-F388 HydrophobicContact CE1-CE1 4.45Å; F380-F388 AromaticContact CE1-CZ 3.79Å; F380-F388 HydrophobicContact CE1-CZ 3.79Å; F380-F388 HydrophobicContact CZ-CZ 4.2Å; F380-P409 HydrophobicContact CD2-CB 4.47Å; F380-P409 HydrophobicContact CE2-CB 3.55Å; F380-P409 HydrophobicContact CE2-CG 3.79Å; F380-P409 HydrophobicContact CZ-CB 3.99Å; F380-P409 HydrophobicContact CZ-CG 3.67Å; F380-Y424 HydrophobicContact CB-CD2 4.33Å; F380-Y424 HydrophobicContact CD2-CD1 4.07Å; F380-Y424 AromaticContact CD2-CD2 3.92Å; F380-Y424 HydrophobicContact CD2-CD2 3.92Å; F380-Y424 AromaticContact CD2-CE1 3.99Å; F380-Y424 HydrophobicContact CD2-CE1 3.99Å; F380-Y424 AromaticContact CD2-CE2 3.84Å; F380-Y424 HydrophobicContact CD2-CE2 3.84Å; F380-Y424 HydrophobicContact CD2-CG 4.03Å; F380-Y424 AromaticContact CD2-CZ 3.86Å; F380-Y424 HydrophobicContact CE2-CE1 4.19Å
381	G	95.4	Very high	95.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-15.3	-178.4	0	0	0	0	0	115.8	F311 R379 N383 W384	F311-G381 WeakPolarHBondContact CD1-O 2.98Å; R379-G381 PolarHBondContact O-N 3.47Å; G381-N383 PolarHBondContact O-N 2.8Å; G381-W384 PolarHBondContact O-N 3.26Å; G381-W384 VanDerWaalsContact O-N 3.14Å
382	K	94.8	Very high	95.8	Very high	87 Å²	87	42.3 Å²	42.3	38%	0.378	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	124.2	-169.5	-166.7	172.7	-174.2	169.5	0	111.5	H310 R379 F380 W384	H310-K382 CarbonylContact O-C 3.49Å; H310-K382 VanDerWaalsContact O-CA 3.31Å; H310-K382 WeakPolarHBondContact O-CA 3.28Å; R379-K382 VanDerWaalsContact O-CB 3.24Å; R379-K382 WeakPolarHBondContact O-CB 3.26Å; R379-K382 PolarHBondContact O-N 3.33Å; F380-K382 PolarHBondContact O-N 2.93Å; F380-K382 VanDerWaalsContact O-N 3.12Å; K382-W384 VanDerWaalsContact O-CD1 3.29Å; K382-W384 PolarHBondContact O-N 2.73Å
383	N	94.5	Very high	95.8	Very high	101 Å²	101	39.6 Å²	39.6	54%	0.54	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	20.6	-177.8	-58	-51	0	0	0	116	H310 F311 N312 G381 G385	H310-N383 PolarHBondContact O-N 2.77Å; F311-N383 CarbonylContact O-C 3.38Å; N312-N383 HydrophobicContact CB-CB 4.34Å; G381-N383 PolarHBondContact O-N 2.8Å; N383-G385 VanDerWaalsContact C-N 3.28Å; N383-G385 PolarHBondContact O-N 3.2Å
384	W	95.2	Very high	95.8	Very high	60 Å²	60	36.8 Å²	36.8	23%	0.227	19%	0.185	C	C	.	.			trans	-81.5	-5.5	178.6	-66.4	-7.3	0	0	0	114.3	F311 F380 G381 K382 F388 T408 P409 Y424	F311-W384 PolarHBondContact O-N 3.23Å; F380-W384 HydrophobicContact CD1-CZ3 4.27Å; F380-W384 AromaticContact CD2-CH2 3.96Å; F380-W384 HydrophobicContact CD2-CH2 3.96Å; F380-W384 HydrophobicContact CD2-CZ3 4.22Å; F380-W384 HydrophobicContact CE1-CZ3 4.16Å; F380-W384 HydrophobicContact CE2-CH2 4.11Å; F380-W384 HydrophobicContact CE2-CZ3 4.1Å; F380-W384 HydrophobicContact CG-CH2 4.26Å; F380-W384 HydrophobicContact CG-CZ3 4.31Å; F380-W384 HydrophobicContact CZ-CZ3 4.07Å; G381-W384 PolarHBondContact O-N 3.26Å; G381-W384 VanDerWaalsContact O-N 3.14Å; K382-W384 VanDerWaalsContact O-CD1 3.29Å; K382-W384 PolarHBondContact O-N 2.73Å; W384-F388 HydrophobicContact CB-CB 3.76Å; W384-F388 HydrophobicContact CB-CD1 4.05Å; W384-F388 HydrophobicContact CB-CG 3.88Å; W384-F388 AromaticContact CE3-CD1 3.88Å; W384-F388 HydrophobicContact CE3-CD1 3.88Å; W384-F388 AromaticContact CE3-CD2 3.74Å; W384-F388 HydrophobicContact CE3-CD2 3.74Å; W384-F388 AromaticContact CE3-CE1 3.7Å; W384-F388 HydrophobicContact CE3-CE1 3.7Å; W384-F388 AromaticContact CE3-CE2 3.56Å; W384-F388 HydrophobicContact CE3-CE2 3.56Å; W384-F388 AromaticContact CE3-CG 3.91Å; W384-F388 HydrophobicContact CE3-CG 3.91Å; W384-F388 AromaticContact CE3-CZ 3.53Å; W384-F388 HydrophobicContact CE3-CZ 3.53Å; W384-F388 HydrophobicContact CZ3-CD2 4.45Å; W384-F388 HydrophobicContact CZ3-CE1 4.18Å; W384-F388 AromaticContact CZ3-CE2 3.83Å; W384-F388 HydrophobicContact CZ3-CE2 3.83Å; W384-F388 AromaticContact CZ3-CZ 3.67Å; W384-F388 HydrophobicContact CZ3-CZ 3.67Å; W384-T408 HydrophobicContact CH2-CG2 4.32Å; W384-T408 HydrophobicContact CZ2-CG2 4.03Å; W384-P409 HydrophobicContact CE3-CG 4.38Å; W384-P409 HydrophobicContact CH2-CB 3.79Å; W384-P409 HydrophobicContact CH2-CG 3.97Å; W384-P409 HydrophobicContact CZ3-CB 3.91Å; W384-P409 HydrophobicContact CZ3-CG 3.53Å; W384-Y424 AromaticContact CH2-CD1 3.84Å; W384-Y424 HydrophobicContact CH2-CD1 3.84Å; W384-Y424 HydrophobicContact CH2-CE1 4.48Å; W384-Y424 HydrophobicContact CH2-CG 4.41Å; W384-Y424 HydrophobicContact CZ2-CD1 4.1Å
385	G	97	Very high	95.8	Very high	15 Å²	15	36 Å²	36	16%	0.155	18%	0.181	C	C	.	.	H	α-helix	trans	77.7	179.9	169.2	0	0	0	0	0	114.4	F311 N383 D387 F388 V389	F311-G385 VanDerWaalsContact O-CA 3.3Å; F311-G385 WeakPolarHBondContact O-CA 3.03Å; F311-G385 PolarHBondContact O-N 3.25Å; N383-G385 VanDerWaalsContact C-N 3.28Å; N383-G385 PolarHBondContact O-N 3.2Å; G385-D387 VanDerWaalsContact C-N 3.33Å; G385-D387 PolarHBondContact O-N 2.76Å; G385-F388 PolarHBondContact O-N 3.14Å; G385-V389 PolarHBondContact O-N 3.42Å
386	C	97.5	Very high	95.8	Very high	30 Å²	30	34.8 Å²	34.8	20%	0.203	17%	0.17	C	C	.	.	H	α-helix	trans	-66	-32.2	-175.3	-62.1	0	0	0	0	114.3	C313 T315 F388 V389 Q390	C313-C386 WeakPolarHBondContact CA-SG 3.17Å; C313-C386 HydrophobicContact CB-CB 4.01Å; C313-C386 WeakPolarHBondContact CB-SG 3.19Å; C313-C386 WeakPolarHBondContact SG-CA 3.3Å; C313-C386 WeakPolarHBondContact SG-CB 3.48Å; C313-C386 CovalentContact SG-SG 2.04Å; C313-C386 PolarHBondContact SG-SG 3.29Å; T315-C386 PolarHBondContact OG1-SG 3.33Å; C386-F388 PolarHBondContact O-N 2.81Å; C386-V389 PolarHBondContact O-N 3.2Å; C386-Q390 WeakPolarHBondContact O-CB 3.28Å; C386-Q390 PolarHBondContact O-N 2.85Å
387	D	97	Very high	95.9	Very high	35 Å²	35	31.1 Å²	31.1	19%	0.187	15%	0.153	C	C	.	.	H	α-helix	trans	-58.1	-35.7	176.7	-79.8	-17.7	0	0	0	110.7	G385 L391 Y396 R399 K403	G385-D387 VanDerWaalsContact C-N 3.33Å; G385-D387 PolarHBondContact O-N 2.76Å; D387-L391 HydrophobicContact CB-CD1 3.91Å; D387-L391 VanDerWaalsContact O-CB 3.22Å; D387-L391 WeakPolarHBondContact O-CB 3.11Å; D387-L391 VanDerWaalsContact O-CG 3.29Å; D387-L391 WeakPolarHBondContact O-CG 3.19Å; D387-L391 PolarHBondContact O-N 2.87Å; D387-Y396 HydrophobicContact CB-CD2 4.19Å; D387-R399 IonicContact OD1-CZ 2.81Å; D387-R399 IonicContact OD1-NH1 2.88Å; D387-R399 PolarHBondContact OD1-NH1 3.43Å; D387-K403 IonicContact OD2-NZ 3.91Å; D387-K403 PolarHBondContact OD2-NZ 2.85Å
388	F	97.3	Very high	96.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-71.4	-46.4	177.6	173.7	-107.9	0	0	0	112.3	F311 R337 I338 F380 W384 G385 C386 Y396 P409 Y410	F311-F388 HydrophobicContact CD1-CD1 4.25Å; F311-F388 HydrophobicContact CD1-CE1 4.3Å; F311-F388 HydrophobicContact CE1-CD1 4.44Å; F311-F388 HydrophobicContact CE1-CE1 4.05Å; R337-F388 PolarHBondContact NH1-O 3.07Å; R337-F388 VanDerWaalsContact NH1-O 3.1Å; I338-F388 HydrophobicContact CB-CE1 4.01Å; I338-F388 HydrophobicContact CB-CZ 4.42Å; I338-F388 HydrophobicContact CG2-CE1 4.07Å; I338-F388 HydrophobicContact CG2-CZ 4.33Å; F380-F388 HydrophobicContact CE1-CE1 4.45Å; F380-F388 AromaticContact CE1-CZ 3.79Å; F380-F388 HydrophobicContact CE1-CZ 3.79Å; F380-F388 HydrophobicContact CZ-CZ 4.2Å; W384-F388 HydrophobicContact CB-CB 3.76Å; W384-F388 HydrophobicContact CB-CD1 4.05Å; W384-F388 HydrophobicContact CB-CG 3.88Å; W384-F388 AromaticContact CE3-CD1 3.88Å; W384-F388 HydrophobicContact CE3-CD1 3.88Å; W384-F388 AromaticContact CE3-CD2 3.74Å; W384-F388 HydrophobicContact CE3-CD2 3.74Å; W384-F388 AromaticContact CE3-CE1 3.7Å; W384-F388 HydrophobicContact CE3-CE1 3.7Å; W384-F388 AromaticContact CE3-CE2 3.56Å; W384-F388 HydrophobicContact CE3-CE2 3.56Å; W384-F388 AromaticContact CE3-CG 3.91Å; W384-F388 HydrophobicContact CE3-CG 3.91Å; W384-F388 AromaticContact CE3-CZ 3.53Å; W384-F388 HydrophobicContact CE3-CZ 3.53Å; W384-F388 HydrophobicContact CZ3-CD2 4.45Å; W384-F388 HydrophobicContact CZ3-CE1 4.18Å; W384-F388 AromaticContact CZ3-CE2 3.83Å; W384-F388 HydrophobicContact CZ3-CE2 3.83Å; W384-F388 AromaticContact CZ3-CZ 3.67Å; W384-F388 HydrophobicContact CZ3-CZ 3.67Å; G385-F388 PolarHBondContact O-N 3.14Å; C386-F388 PolarHBondContact O-N 2.81Å; F388-Y396 HydrophobicContact CB-CD2 4.03Å; F388-Y396 HydrophobicContact CB-CE2 3.75Å; F388-Y396 HydrophobicContact CD2-CE2 4.26Å; F388-P409 HydrophobicContact CE2-CG 3.9Å; F388-P409 HydrophobicContact CZ-CG 4.42Å; F388-Y410 HydrophobicContact CD2-CE2 4.21Å; F388-Y410 HydrophobicContact CE2-CE2 4.09Å; F388-Y410 AromaticContact CE2-CZ 3.98Å
389	V	97	Very high	96.4	Very high	1 Å²	1	37 Å²	37	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-70.2	-48.1	-174.9	178.8	0	0	0	0	111.2	F311 M316 R337 I338 G385 C386	F311-V389 HydrophobicContact CB-CG2 3.65Å; F311-V389 HydrophobicContact CD1-CG2 3.83Å; F311-V389 HydrophobicContact CD2-CG2 3.9Å; F311-V389 HydrophobicContact CE1-CG2 4.46Å; F311-V389 HydrophobicContact CG-CG2 3.53Å; M316-V389 HydrophobicContact CE-CG1 3.73Å; M316-V389 HydrophobicContact CG-CG1 4.28Å; M316-V389 HydrophobicContact SD-CG1 3.92Å; R337-V389 PolarHBondContact NH2-O 2.91Å; R337-V389 VanDerWaalsContact NH2-O 3.1Å; I338-V389 HydrophobicContact CD1-CG1 4.14Å; G385-V389 PolarHBondContact O-N 3.42Å; C386-V389 PolarHBondContact O-N 3.2Å
390	Q	94.8	Very high	96.7	Very high	54 Å²	54	35.6 Å²	35.6	25%	0.252	17%	0.167	S	C	.	.	H	α-helix	trans	-92.7	-21.4	-164.1	-61.9	-178.1	-36.5	0	0	114.5	T315 C386	T315-Q390 PolarHBondContact O-NE2 3.04Å; C386-Q390 WeakPolarHBondContact O-CB 3.28Å; C386-Q390 PolarHBondContact O-N 2.85Å
391	L	96.5	Very high	96.8	Very high	22 Å²	22	40.3 Å²	40.3	12%	0.115	20%	0.196	C	C	.	.	S	Bend	trans	-99.6	162.5	-176.8	-50.3	178	0	0	0	111.6	R337 D387 E395	R337-L391 PolarHBondContact NH1-O 2.83Å; D387-L391 HydrophobicContact CB-CD1 3.91Å; D387-L391 VanDerWaalsContact O-CB 3.22Å; D387-L391 WeakPolarHBondContact O-CB 3.11Å; D387-L391 VanDerWaalsContact O-CG 3.29Å; D387-L391 WeakPolarHBondContact O-CG 3.19Å; D387-L391 PolarHBondContact O-N 2.87Å; L391-E395 HydrophobicContact CB-CB 4.31Å; L391-E395 HydrophobicContact CD1-CB 4.5Å; L391-E395 HydrophobicContact CD1-CG 4.09Å
392	S	97.2	Very high	96.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.231	C	C	.	.			trans	-64.1	157.3	164.1	72.3	0	0	0	0	110.9	V285 Y394 E395 Y396	V285-S392 VanDerWaalsContact O-CB 3.24Å; V285-S392 WeakPolarHBondContact O-CB 3.36Å; V285-S392 PolarHBondContact O-OG 3.48Å; S392-Y394 PolarHBondContact O-N 3.08Å; S392-E395 PolarHBondContact O-N 3.42Å; S392-E395 PolarHBondContact OG-N 3.46Å; S392-Y396 WeakPolarHBondContact O-CB 3.37Å; S392-Y396 PolarHBondContact O-N 3.2Å
393	C	97.4	Very high	97	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-32.2	175	52.9	0	0	0	0	113	M397 Y410 Y446 C471	C393-M397 VanDerWaalsContact O-CB 3.29Å; C393-M397 WeakPolarHBondContact O-CB 3.36Å; C393-M397 WeakPolarHBondContact O-CE 3.36Å; C393-M397 WeakPolarHBondContact O-CG 3.49Å; C393-M397 PolarHBondContact O-N 3.09Å; C393-Y410 HydrophobicContact CB-CD1 3.81Å; C393-Y410 HydrophobicContact CB-CD2 3.87Å; C393-Y410 HydrophobicContact CB-CE1 3.53Å; C393-Y410 HydrophobicContact CB-CE2 3.55Å; C393-Y410 HydrophobicContact CB-CG 3.98Å; C393-Y446 VanDerWaalsContact SG-CD2 3.55Å; C393-Y446 WeakPolarHBondContact SG-CE2 3.34Å; C393-Y446 VanDerWaalsContact SG-CZ 3.58Å; C393-C471 HydrophobicContact CB-CB 3.59Å; C393-C471 WeakPolarHBondContact CB-SG 3.36Å; C393-C471 VanDerWaalsContact SG-CA 3.58Å; C393-C471 WeakPolarHBondContact SG-CB 3.21Å; C393-C471 CovalentContact SG-SG 2.03Å; C393-C471 PolarHBondContact SG-SG 3.17Å
394	Y	98.2	Very high	97	Very high	37 Å²	37	48.3 Å²	48.3	15%	0.145	25%	0.25	C	C	.	.	H	α-helix	trans	-61.8	-50.7	175.3	171.1	-107.6	0	0	0	112.2	V285 S286 A287 S392 M397 K398 Y446	V285-Y394 HydrophobicContact CG1-CD1 4.06Å; V285-Y394 HydrophobicContact CG1-CE1 4.17Å; S286-Y394 WeakPolarHBondContact O-CD1 3.24Å; S286-Y394 VanDerWaalsContact O-CE1 3.25Å; S286-Y394 WeakPolarHBondContact O-CE1 3.48Å; A287-Y394 HydrophobicContact CB-CD2 4.38Å; A287-Y394 HydrophobicContact CB-CE2 3.99Å; S392-Y394 PolarHBondContact O-N 3.08Å; Y394-M397 PolarHBondContact O-N 3.2Å; Y394-K398 WeakPolarHBondContact O-CB 3.26Å; Y394-K398 PolarHBondContact O-N 3.32Å; Y394-Y446 WeakPolarHBondContact CD2-O 3.06Å
395	E	98	Very high	96.9	Very high	34 Å²	34	49.1 Å²	49.1	16%	0.159	26%	0.259	C	S	.	.	H	α-helix	trans	-68.7	-41.3	-178.3	-170.1	179.6	176	0	0	111.4	V285 L391 S392 K398 R399	V285-E395 HydrophobicContact CB-CB 4.21Å; V285-E395 VanDerWaalsContact CG2-OE2 3.27Å; V285-E395 WeakPolarHBondContact CG2-OE2 3.29Å; L391-E395 HydrophobicContact CB-CB 4.31Å; L391-E395 HydrophobicContact CD1-CB 4.5Å; L391-E395 HydrophobicContact CD1-CG 4.09Å; S392-E395 PolarHBondContact O-N 3.42Å; S392-E395 PolarHBondContact OG-N 3.46Å; E395-K398 PolarHBondContact O-N 3.12Å; E395-R399 WeakPolarHBondContact O-CG 3.4Å; E395-R399 PolarHBondContact O-N 2.72Å; E395-R399 IonicContact OE1-CZ 3.85Å; E395-R399 VanDerWaalsContact OE1-CZ 3.31Å; E395-R399 IonicContact OE1-NE 3.78Å; E395-R399 PolarHBondContact OE1-NE 3.36Å; E395-R399 IonicContact OE1-NH2 3.43Å; E395-R399 PolarHBondContact OE1-NH2 3.21Å
396	Y	98.3	Very high	96.6	Very high	5 Å²	5	52.9 Å²	52.9	2%	0.02	28%	0.28	C	S	.	.	H	α-helix	trans	-54.5	-53.5	172.2	170.1	-94.8	0	0	0	111.4	D387 F388 S392 K398 R399 Q400 T408 Y410	D387-Y396 HydrophobicContact CB-CD2 4.19Å; F388-Y396 HydrophobicContact CB-CD2 4.03Å; F388-Y396 HydrophobicContact CB-CE2 3.75Å; F388-Y396 HydrophobicContact CD2-CE2 4.26Å; S392-Y396 WeakPolarHBondContact O-CB 3.37Å; S392-Y396 PolarHBondContact O-N 3.2Å; Y396-K398 VanDerWaalsContact C-N 3.32Å; Y396-K398 PolarHBondContact O-N 3.07Å; Y396-R399 PolarHBondContact O-N 3.41Å; Y396-Q400 HydrophobicContact CD1-CG 4.28Å; Y396-Q400 HydrophobicContact CD2-CG 4.15Å; Y396-Q400 HydrophobicContact CE1-CG 3.94Å; Y396-Q400 HydrophobicContact CE2-CG 3.75Å; Y396-Q400 HydrophobicContact CG-CG 4.41Å; Y396-Q400 WeakPolarHBondContact O-CG 2.9Å; Y396-Q400 PolarHBondContact O-N 3Å; Y396-T408 PolarHBondContact OH-O 2.8Å; Y396-Y410 AromaticContact CD1-CD2 3.44Å; Y396-Y410 HydrophobicContact CD1-CD2 3.44Å; Y396-Y410 VanDerWaalsContact CD1-CD2 3.44Å; Y396-Y410 AromaticContact CD1-CE2 3.47Å; Y396-Y410 HydrophobicContact CD1-CE2 3.47Å; Y396-Y410 VanDerWaalsContact CD1-CE2 3.47Å; Y396-Y410 AromaticContact CE1-CD2 3.66Å; Y396-Y410 HydrophobicContact CE1-CD2 3.66Å; Y396-Y410 AromaticContact CE1-CE2 3.84Å; Y396-Y410 HydrophobicContact CE1-CE2 3.84Å; Y396-Y410 HydrophobicContact CG-CE2 4.19Å
397	M	97.7	Very high	96.5	Very high	11 Å²	11	52.9 Å²	52.9	5%	0.054	28%	0.278	C	S	.	.	H	α-helix	trans	-58.2	-44.7	179.6	-74.7	-170.9	-70.6	0	0	111.3	C393 Y394 R399 Q400 V401 I407 Y410 T412 F447	C393-M397 VanDerWaalsContact O-CB 3.29Å; C393-M397 WeakPolarHBondContact O-CB 3.36Å; C393-M397 WeakPolarHBondContact O-CE 3.36Å; C393-M397 WeakPolarHBondContact O-CG 3.49Å; C393-M397 PolarHBondContact O-N 3.09Å; Y394-M397 PolarHBondContact O-N 3.2Å; M397-R399 PolarHBondContact O-N 3.3Å; M397-Q400 PolarHBondContact O-N 2.79Å; M397-V401 WeakPolarHBondContact O-CG2 3.08Å; M397-V401 PolarHBondContact O-N 3.33Å; M397-I407 HydrophobicContact CB-CG2 4.3Å; M397-I407 HydrophobicContact CG-CB 4.1Å; M397-I407 HydrophobicContact CG-CG2 4.37Å; M397-I407 HydrophobicContact SD-CD1 4.19Å; M397-Y410 HydrophobicContact CG-CD2 4.04Å; M397-Y410 HydrophobicContact CG-CG 4.3Å; M397-Y410 VanDerWaalsContact SD-CB 3.55Å; M397-Y410 HydrophobicContact SD-CG 4.36Å; M397-T412 HydrophobicContact SD-CG2 3.9Å; M397-F447 HydrophobicContact CE-CZ 4.49Å
398	K	97.3	Very high	96.2	Very high	134 Å²	134	52.7 Å²	52.7	58%	0.583	28%	0.278	S	S	*	.	H	α-helix	trans	-59.7	-44	178	-174.4	179.5	178	-179.5	0	112.1	Y394 E395 Y396 A402	Y394-K398 WeakPolarHBondContact O-CB 3.26Å; Y394-K398 PolarHBondContact O-N 3.32Å; E395-K398 PolarHBondContact O-N 3.12Å; Y396-K398 VanDerWaalsContact C-N 3.32Å; Y396-K398 PolarHBondContact O-N 3.07Å; K398-A402 WeakPolarHBondContact O-CB 3.45Å; K398-A402 PolarHBondContact O-N 2.89Å; K398-A402 VanDerWaalsContact O-N 3.1Å
399	R	97.6	Very high	96	Very high	97 Å²	97	52.7 Å²	52.7	37%	0.366	28%	0.278	S	S	.	.	H	α-helix	trans	-66.8	-40.9	177.6	-71.5	-179.8	-176.7	-149.7	0.1	112	D387 E395 Y396 M397 A402 K403	D387-R399 IonicContact OD1-CZ 2.81Å; D387-R399 IonicContact OD1-NH1 2.88Å; D387-R399 PolarHBondContact OD1-NH1 3.43Å; E395-R399 WeakPolarHBondContact O-CG 3.4Å; E395-R399 PolarHBondContact O-N 2.72Å; E395-R399 IonicContact OE1-CZ 3.85Å; E395-R399 VanDerWaalsContact OE1-CZ 3.31Å; E395-R399 IonicContact OE1-NE 3.78Å; E395-R399 PolarHBondContact OE1-NE 3.36Å; E395-R399 IonicContact OE1-NH2 3.43Å; E395-R399 PolarHBondContact OE1-NH2 3.21Å; Y396-R399 PolarHBondContact O-N 3.41Å; M397-R399 PolarHBondContact O-N 3.3Å; R399-A402 PolarHBondContact O-N 2.77Å; R399-K403 WeakPolarHBondContact O-CG 3.41Å; R399-K403 PolarHBondContact O-N 2.81Å; R399-K403 VanDerWaalsContact O-N 3.08Å
400	Q	97.4	Very high	95.9	Very high	24 Å²	24	52.8 Å²	52.8	11%	0.112	28%	0.278	C	S	.	.	H	α-helix	trans	-66	-44	178.5	-69.4	-65.7	81.8	0	0	111.7	Y396 M397 A402 K403 N404 N405 P406 I407	Y396-Q400 HydrophobicContact CD1-CG 4.28Å; Y396-Q400 HydrophobicContact CD2-CG 4.15Å; Y396-Q400 HydrophobicContact CE1-CG 3.94Å; Y396-Q400 HydrophobicContact CE2-CG 3.75Å; Y396-Q400 HydrophobicContact CG-CG 4.41Å; Y396-Q400 WeakPolarHBondContact O-CG 2.9Å; Y396-Q400 PolarHBondContact O-N 3Å; M397-Q400 PolarHBondContact O-N 2.79Å; Q400-A402 VanDerWaalsContact C-N 3.33Å; Q400-A402 PolarHBondContact O-N 2.83Å; Q400-K403 CarbonylContact O-C 3.6Å; Q400-K403 PolarHBondContact O-N 2.89Å; Q400-K403 VanDerWaalsContact O-N 3.12Å; Q400-N404 PolarHBondContact O-N 3.46Å; Q400-N404 VanDerWaalsContact O-N 3.11Å; Q400-N405 HydrophobicContact CB-CB 4.29Å; Q400-N405 PolarHBondContact O-N 3.06Å; Q400-P406 PolarHBondContact NE2-O 2.77Å; Q400-P406 VanDerWaalsContact NE2-O 3.12Å; Q400-I407 HydrophobicContact CB-CG2 4Å
401	V	96.2	Very high	95.9	Very high	100 Å²	100	50.2 Å²	50.2	61%	0.606	27%	0.266	S	S	*	.	H	α-helix	trans	-58.7	-44.5	173.8	170.8	0	0	0	0	111.2	M397 K403 N404 I407	M397-V401 WeakPolarHBondContact O-CG2 3.08Å; M397-V401 PolarHBondContact O-N 3.33Å; V401-K403 PolarHBondContact O-N 3.31Å; V401-N404 PolarHBondContact O-N 2.85Å; V401-I407 HydrophobicContact CG2-CG2 3.74Å
402	A	97.5	Very high	95.7	Very high	90 Å²	90	52.1 Å²	52.1	74%	0.744	28%	0.279	S	S	*	.	H	α-helix	trans	-63.2	-29.8	178	0	0	0	0	0	113.4	K398 R399 Q400 N404	K398-A402 WeakPolarHBondContact O-CB 3.45Å; K398-A402 PolarHBondContact O-N 2.89Å; K398-A402 VanDerWaalsContact O-N 3.1Å; R399-A402 PolarHBondContact O-N 2.77Å; Q400-A402 VanDerWaalsContact C-N 3.33Å; Q400-A402 PolarHBondContact O-N 2.83Å; A402-N404 VanDerWaalsContact C-N 3.33Å
403	K	96.7	Very high	95.4	Very high	112 Å²	112	57.4 Å²	57.4	49%	0.487	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	0.3	175.3	-66.2	171	-170.9	170.3	0	113.3	D387 R399 Q400 V401 N405	D387-K403 IonicContact OD2-NZ 3.91Å; D387-K403 PolarHBondContact OD2-NZ 2.85Å; R399-K403 WeakPolarHBondContact O-CG 3.41Å; R399-K403 PolarHBondContact O-N 2.81Å; R399-K403 VanDerWaalsContact O-N 3.08Å; Q400-K403 CarbonylContact O-C 3.6Å; Q400-K403 PolarHBondContact O-N 2.89Å; Q400-K403 VanDerWaalsContact O-N 3.12Å; V401-K403 PolarHBondContact O-N 3.31Å; K403-N405 HydrophobicContact CB-CB 4.43Å; K403-N405 PolarHBondContact O-N 2.83Å
404	N	95.1	Very high	94.8	Very high	154 Å²	154	60 Å²	60	82%	0.824	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	34.5	-170.5	-164.3	49.9	0	0	0	113.2	Q400 V401 A402	Q400-N404 PolarHBondContact O-N 3.46Å; Q400-N404 VanDerWaalsContact O-N 3.11Å; V401-N404 PolarHBondContact O-N 2.85Å; A402-N404 VanDerWaalsContact C-N 3.33Å
405	N	93.9	Very high	93.5	Very high	77 Å²	77	59.6 Å²	59.6	41%	0.412	32%	0.318	S	S	.	.			trans	-99.4	156.3	176.5	-75.8	-15.8	0	0	0	111.1	Q400 K403	Q400-N405 HydrophobicContact CB-CB 4.29Å; Q400-N405 PolarHBondContact O-N 3.06Å; K403-N405 HydrophobicContact CB-CB 4.43Å; K403-N405 PolarHBondContact O-N 2.83Å
406	P	90.7	Very high	91.9	Very high	94 Å²	94	61.7 Å²	61.7	61%	0.61	34%	0.337	S	S	*	.			trans	-57.7	141.5	169.1	-22.6	33.6	0	0	0	112.3	Q400 T408	Q400-P406 PolarHBondContact NE2-O 2.77Å; Q400-P406 VanDerWaalsContact NE2-O 3.12Å; P406-T408 VanDerWaalsContact C-N 3.34Å
407	I	94.2	Very high	90.4	Very high	30 Å²	30	66 Å²	66	15%	0.154	36%	0.363	C	S	.	.			trans	-89.8	3.7	175.6	61.5	164	0	0	0	113.7	M397 Q400 V401 Y410 T412	M397-I407 HydrophobicContact CB-CG2 4.3Å; M397-I407 HydrophobicContact CG-CB 4.1Å; M397-I407 HydrophobicContact CG-CG2 4.37Å; M397-I407 HydrophobicContact SD-CD1 4.19Å; Q400-I407 HydrophobicContact CB-CG2 4Å; V401-I407 HydrophobicContact CG2-CG2 3.74Å; I407-Y410 PolarHBondContact O-N 2.94Å; I407-T412 HydrophobicContact CD1-CG2 3.69Å
408	T	91.1	Very high	89.6	Confident	31 Å²	31	66.4 Å²	66.4	19%	0.19	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	138.4	175.8	-60	0	0	0	0	110.1	W384 Y396 P406 Y410 Y424	W384-T408 HydrophobicContact CH2-CG2 4.32Å; W384-T408 HydrophobicContact CZ2-CG2 4.03Å; Y396-T408 PolarHBondContact OH-O 2.8Å; P406-T408 VanDerWaalsContact C-N 3.34Å; T408-Y410 VanDerWaalsContact C-N 3.33Å; T408-Y424 HydrophobicContact CG2-CD1 4.19Å; T408-Y424 HydrophobicContact CG2-CE1 4.45Å
409	P	93.7	Very high	89.1	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	cis	-84.5	-3.3	9.7	37.1	-34.2	0	0	0	113.9	F380 W384 F388 Y424 V473 Y474	F380-P409 HydrophobicContact CD2-CB 4.47Å; F380-P409 HydrophobicContact CE2-CB 3.55Å; F380-P409 HydrophobicContact CE2-CG 3.79Å; F380-P409 HydrophobicContact CZ-CB 3.99Å; F380-P409 HydrophobicContact CZ-CG 3.67Å; W384-P409 HydrophobicContact CE3-CG 4.38Å; W384-P409 HydrophobicContact CH2-CB 3.79Å; W384-P409 HydrophobicContact CH2-CG 3.97Å; W384-P409 HydrophobicContact CZ3-CB 3.91Å; W384-P409 HydrophobicContact CZ3-CG 3.53Å; F388-P409 HydrophobicContact CE2-CG 3.9Å; F388-P409 HydrophobicContact CZ-CG 4.42Å; P409-Y424 HydrophobicContact CB-CE1 3.94Å; P409-V473 HydrophobicContact CB-CG1 4.41Å; P409-V473 HydrophobicContact CG-CG1 4.34Å; P409-V473 WeakPolarHBondContact O-CA 3.08Å; P409-Y474 PolarHBondContact O-N 3.36Å
410	Y	95.2	Very high	88.8	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.008	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-79.1	164.3	-173.3	-51.2	-62.5	0	0	0	112.8	R337 F388 C393 Y396 M397 I407 T408 C471 P472 V473 Y474	R337-Y410 WeakPolarHBondContact CG-OH 3.43Å; F388-Y410 HydrophobicContact CD2-CE2 4.21Å; F388-Y410 HydrophobicContact CE2-CE2 4.09Å; F388-Y410 AromaticContact CE2-CZ 3.98Å; C393-Y410 HydrophobicContact CB-CD1 3.81Å; C393-Y410 HydrophobicContact CB-CD2 3.87Å; C393-Y410 HydrophobicContact CB-CE1 3.53Å; C393-Y410 HydrophobicContact CB-CE2 3.55Å; C393-Y410 HydrophobicContact CB-CG 3.98Å; Y396-Y410 AromaticContact CD1-CD2 3.44Å; Y396-Y410 HydrophobicContact CD1-CD2 3.44Å; Y396-Y410 VanDerWaalsContact CD1-CD2 3.44Å; Y396-Y410 AromaticContact CD1-CE2 3.47Å; Y396-Y410 HydrophobicContact CD1-CE2 3.47Å; Y396-Y410 VanDerWaalsContact CD1-CE2 3.47Å; Y396-Y410 AromaticContact CE1-CD2 3.66Å; Y396-Y410 HydrophobicContact CE1-CD2 3.66Å; Y396-Y410 AromaticContact CE1-CE2 3.84Å; Y396-Y410 HydrophobicContact CE1-CE2 3.84Å; Y396-Y410 HydrophobicContact CG-CE2 4.19Å; M397-Y410 HydrophobicContact CG-CD2 4.04Å; M397-Y410 HydrophobicContact CG-CG 4.3Å; M397-Y410 VanDerWaalsContact SD-CB 3.55Å; M397-Y410 HydrophobicContact SD-CG 4.36Å; I407-Y410 PolarHBondContact O-N 2.94Å; T408-Y410 VanDerWaalsContact C-N 3.33Å; Y410-C471 HydrophobicContact CD1-CB 3.83Å; Y410-C471 HydrophobicContact CE1-CB 3.49Å; Y410-C471 VanDerWaalsContact CE1-CB 3.49Å; Y410-P472 CarbonylContact C-O 3.54Å; Y410-P472 WeakPolarHBondContact CA-O 3.39Å; Y410-P472 WeakPolarHBondContact CB-O 3.46Å; Y410-P472 WeakPolarHBondContact CD1-O 3.48Å; Y410-V473 HydrophobicContact CD1-CG1 3.55Å; Y410-V473 HydrophobicContact CE1-CG1 3.83Å; Y410-Y474 WeakPolarHBondContact O-CE2 3.34Å
411	C	93.7	Very high	88.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.336	C	S	.	.			trans	-145.6	152.7	-176.7	58.8	0	0	0	0	111.9	C431 P472 V473 Y474	C411-C431 HydrophobicContact CB-CB 3.61Å; C411-C431 WeakPolarHBondContact CB-SG 3.3Å; C411-C431 WeakPolarHBondContact SG-CA 3.32Å; C411-C431 WeakPolarHBondContact SG-CB 3.48Å; C411-C431 CovalentContact SG-SG 2.01Å; C411-C431 PolarHBondContact SG-SG 3.11Å; C411-P472 PolarHBondContact N-O 3.39Å; C411-P472 VanDerWaalsContact N-O 3.11Å; C411-P472 WeakPolarHBondContact O-CG 3.07Å; C411-V473 VanDerWaalsContact SG-C 3.59Å; C411-Y474 HydrophobicContact CB-CD1 4.49Å; C411-Y474 HydrophobicContact CB-CD2 3.97Å; C411-Y474 HydrophobicContact CB-CE1 4.01Å; C411-Y474 HydrophobicContact CB-CE2 3.42Å; C411-Y474 VanDerWaalsContact CB-CE2 3.42Å; C411-Y474 HydrophobicContact CB-CG 4.46Å; C411-Y474 VanDerWaalsContact CB-CZ 3.43Å
412	T	92.8	Very high	88.3	Confident	63 Å²	63	54 Å²	54	39%	0.387	31%	0.309	S	S	.	.			trans	-124	-1.5	-174.1	61	0	0	0	0	113.9	M397 I407 F447	M397-T412 HydrophobicContact SD-CG2 3.9Å; I407-T412 HydrophobicContact CD1-CG2 3.69Å; T412-F447 HydrophobicContact CG2-CE1 3.81Å
413	K	89.8	Confident	87.3	Confident	111 Å²	111	53.4 Å²	53.4	48%	0.483	31%	0.311	S	S	.	.	S	Bend	trans	-106.3	148.9	-178	-62	-178	-178.8	175.5	0	110.8	D418 C431	K413-D418 HydrophobicContact CB-CB 3.76Å; K413-D418 HydrophobicContact CD-CB 4.1Å; K413-C431 WeakPolarHBondContact O-CB 3.24Å; K413-C431 PolarHBondContact O-SG 2.84Å
414	L	86.2	Confident	86.5	Confident	54 Å²	54	48.7 Å²	48.7	28%	0.283	29%	0.291	S	S	.	.			trans	-68.5	149.9	175.7	-60.9	178.8	0	0	0	111.6	S416 L433 I450 V453 Y461	L414-S416 VanDerWaalsContact C-N 3.31Å; L414-S416 PolarHBondContact O-N 3Å; L414-S416 VanDerWaalsContact O-N 3.12Å; L414-L433 HydrophobicContact CD2-CD2 4.25Å; L414-L433 HydrophobicContact CD2-CG 4.08Å; L414-I450 HydrophobicContact CD2-CG2 4.21Å; L414-I450 HydrophobicContact CG-CG2 4.14Å; L414-V453 HydrophobicContact CD1-CG2 4Å; L414-Y461 HydrophobicContact CD1-CE1 4.43Å; L414-Y461 HydrophobicContact CD2-CD1 3.81Å; L414-Y461 HydrophobicContact CD2-CE1 3.54Å
415	S	69.8	Low	86	Confident	29 Å²	29	42 Å²	42	20%	0.203	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.8	-163	66.7	0	0	0	0	117.2	L12 T417 C431	L12-S415 WeakPolarHBondContact CD2-OG 3.45Å; S415-T417 VanDerWaalsContact C-N 3.31Å; S415-T417 PolarHBondContact O-N 2.03Å; S415-C431 WeakPolarHBondContact CB-O 2.93Å
416	S	65.3	Low	85.8	Confident	78 Å²	78	39 Å²	39	55%	0.545	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-14.1	-168.8	57.8	0	0	0	0	115	L414	L414-S416 VanDerWaalsContact C-N 3.31Å; L414-S416 PolarHBondContact O-N 3Å; L414-S416 VanDerWaalsContact O-N 3.12Å
417	T	67.2	Low	85.9	Confident	95 Å²	95	34.6 Å²	34.6	58%	0.583	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-137.5	-4.3	-176.4	57.6	0	0	0	0	115	S415	S415-T417 VanDerWaalsContact C-N 3.31Å; S415-T417 PolarHBondContact O-N 2.03Å
418	D	80.1	Confident	85.9	Confident	19 Å²	19	33.1 Å²	33.1	10%	0.102	20%	0.203	C	C	.	.			trans	-106.1	70.1	-178.6	-163.6	33.6	0	0	0	110.6	K413 Y474	K413-D418 HydrophobicContact CB-CB 3.76Å; K413-D418 HydrophobicContact CD-CB 4.1Å; D418-Y474 WeakPolarHBondContact OD2-CE1 3.32Å; D418-Y474 VanDerWaalsContact OD2-CZ 3.31Å; D418-Y474 PolarHBondContact OD2-OH 3.11Å
419	I	87.3	Confident	86	Confident	12 Å²	12	31.7 Å²	31.7	6%	0.062	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.2	175.2	-57	166.8	0	0	0	108.8	F428 G429 F430 F477 F537 P538 Y539	I419-F428 HydrophobicContact CG2-CD2 4.37Å; I419-G429 VanDerWaalsContact CA-O 3.29Å; I419-G429 WeakPolarHBondContact CA-O 3.47Å; I419-G429 WeakPolarHBondContact CG2-O 3.48Å; I419-F430 HydrophobicContact CG1-CB 4.32Å; I419-F477 HydrophobicContact CD1-CE2 4.07Å; I419-F477 HydrophobicContact CD1-CZ 3.68Å; I419-F477 HydrophobicContact CG1-CE2 4.13Å; I419-F477 HydrophobicContact CG1-CZ 3.95Å; I419-F477 HydrophobicContact CG2-CE2 3.71Å; I419-F477 HydrophobicContact CG2-CZ 4.39Å; I419-F537 HydrophobicContact CD1-CD2 3.63Å; I419-F537 HydrophobicContact CD1-CE2 3.31Å; I419-F537 HydrophobicContact CD1-CZ 4.36Å; I419-P538 WeakPolarHBondContact CB-O 3.4Å; I419-P538 HydrophobicContact CD1-CB 4.37Å; I419-P538 HydrophobicContact CG2-CB 4.3Å; I419-P538 WeakPolarHBondContact CG2-O 3.29Å; I419-Y539 HydrophobicContact CB-CD2 4.16Å; I419-Y539 HydrophobicContact CD1-CD2 4.21Å
420	K	90.4	Very high	85.9	Confident	57 Å²	57	33.5 Å²	33.5	25%	0.248	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	166	179.7	65	-170.3	-162.4	-167.1	0	111.6	L422 F428 G429 Y474 N517	K420-L422 WeakPolarHBondContact O-CD1 2.99Å; K420-F428 CarbonylContact O-C 3.59Å; K420-F428 VanDerWaalsContact O-CA 3.28Å; K420-F428 WeakPolarHBondContact O-CA 3.21Å; K420-G429 PolarHBondContact N-O 3.08Å; K420-G429 VanDerWaalsContact N-O 3.12Å; K420-G429 PolarHBondContact O-N 2.84Å; K420-Y474 HydrophobicContact CD-CE1 3.98Å; K420-Y474 HydrophobicContact CD-CE2 4.35Å; K420-Y474 WeakPolarHBondContact CE-OH 3.22Å; K420-Y474 HydrophobicContact CG-CD1 4.25Å; K420-Y474 HydrophobicContact CG-CE1 4.07Å; K420-Y474 PolarHBondContact NZ-OH 2.92Å; K420-N517 WeakPolarHBondContact CA-OD1 3.36Å; K420-N517 WeakPolarHBondContact CB-OD1 3.12Å
421	C	92.7	Very high	85.7	Confident	18 Å²	18	33.4 Å²	33.4	12%	0.122	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	136.2	164.9	-60.1	0	0	0	0	111	V427 C515 V516 N517	C421-V427 CarbonylContact C-O 3.57Å; C421-V427 VanDerWaalsContact CA-O 3.32Å; C421-V427 WeakPolarHBondContact CA-O 3.01Å; C421-C515 WeakPolarHBondContact CA-SG 3.43Å; C421-C515 HydrophobicContact CB-CB 3.74Å; C421-C515 WeakPolarHBondContact CB-SG 3.4Å; C421-C515 WeakPolarHBondContact SG-CB 3.34Å; C421-C515 CovalentContact SG-SG 2.04Å; C421-C515 PolarHBondContact SG-SG 3.09Å; C421-V516 PolarHBondContact SG-N 2.73Å; C421-N517 PolarHBondContact N-OD1 3.12Å
422	L	90.2	Very high	85.6	Confident	8 Å²	8	33.6 Å²	33.6	4%	0.042	20%	0.202	C	C	.	.			trans	-82.5	124.5	178.3	-80.8	54.6	0	0	0	108	K420 Y424 D425 V427 G429 P476	K420-L422 WeakPolarHBondContact O-CD1 2.99Å; L422-Y424 HydrophobicContact CB-CE1 4.17Å; L422-Y424 HydrophobicContact CB-CE2 4.27Å; L422-Y424 HydrophobicContact CD2-CE1 4.44Å; L422-Y424 HydrophobicContact CD2-CE2 3.96Å; L422-Y424 WeakPolarHBondContact CD2-OH 3.45Å; L422-Y424 HydrophobicContact CG-CE1 4.3Å; L422-Y424 PolarHBondContact O-N 3.46Å; L422-D425 PolarHBondContact O-N 3.01Å; L422-V427 HydrophobicContact CB-CG1 3.78Å; L422-V427 HydrophobicContact CD1-CG1 4.48Å; L422-V427 HydrophobicContact CD2-CG1 3.71Å; L422-V427 HydrophobicContact CG-CG1 4.17Å; L422-V427 PolarHBondContact N-O 2.77Å; L422-G429 VanDerWaalsContact CD1-N 3.27Å; L422-P476 HydrophobicContact CD2-CG 4.05Å
423	G	76.6	Confident	85.7	Confident	77 Å²	77	30.7 Å²	30.7	79%	0.794	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-9.4	-174.5	0	0	0	0	0	115.3
424	Y	80.5	Confident	85.8	Confident	14 Å²	14	27.4 Å²	27.4	6%	0.055	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-6.3	-179	54.8	-98.1	0	0	0	113.2	R379 F380 W384 T408 P409 L422 Y474	R379-Y424 WeakPolarHBondContact CB-O 3.29Å; R379-Y424 WeakPolarHBondContact CD-O 3.33Å; R379-Y424 PolarHBondContact NE-O 3.18Å; F380-Y424 HydrophobicContact CB-CD2 4.33Å; F380-Y424 HydrophobicContact CD2-CD1 4.07Å; F380-Y424 AromaticContact CD2-CD2 3.92Å; F380-Y424 HydrophobicContact CD2-CD2 3.92Å; F380-Y424 AromaticContact CD2-CE1 3.99Å; F380-Y424 HydrophobicContact CD2-CE1 3.99Å; F380-Y424 AromaticContact CD2-CE2 3.84Å; F380-Y424 HydrophobicContact CD2-CE2 3.84Å; F380-Y424 HydrophobicContact CD2-CG 4.03Å; F380-Y424 AromaticContact CD2-CZ 3.86Å; F380-Y424 HydrophobicContact CE2-CE1 4.19Å; W384-Y424 AromaticContact CH2-CD1 3.84Å; W384-Y424 HydrophobicContact CH2-CD1 3.84Å; W384-Y424 HydrophobicContact CH2-CE1 4.48Å; W384-Y424 HydrophobicContact CH2-CG 4.41Å; W384-Y424 HydrophobicContact CZ2-CD1 4.1Å; T408-Y424 HydrophobicContact CG2-CD1 4.19Å; T408-Y424 HydrophobicContact CG2-CE1 4.45Å; P409-Y424 HydrophobicContact CB-CE1 3.94Å; L422-Y424 HydrophobicContact CB-CE1 4.17Å; L422-Y424 HydrophobicContact CB-CE2 4.27Å; L422-Y424 HydrophobicContact CD2-CE1 4.44Å; L422-Y424 HydrophobicContact CD2-CE2 3.96Å; L422-Y424 WeakPolarHBondContact CD2-OH 3.45Å; L422-Y424 HydrophobicContact CG-CE1 4.3Å; L422-Y424 PolarHBondContact O-N 3.46Å; Y424-Y474 PolarHBondContact OH-O 2.81Å
425	D	84.8	Confident	86.1	Confident	14 Å²	14	30 Å²	30	8%	0.075	18%	0.177	C	C	.	.	S	Bend	trans	-150.9	158	174	-157.7	7.4	0	0	0	112.3	Y353 R379 L422 V427	Y353-D425 PolarHBondContact OH-OD1 3.35Å; Y353-D425 PolarHBondContact OH-OD2 3.14Å; R379-D425 IonicContact CZ-OD1 2.87Å; R379-D425 IonicContact NH2-OD1 3.8Å; R379-D425 PolarHBondContact NH2-OD1 2.86Å; L422-D425 PolarHBondContact O-N 3.01Å; D425-V427 HydrophobicContact CB-CG1 3.75Å; D425-V427 PolarHBondContact O-N 3.14Å
426	D	90.3	Very high	87.2	Confident	14 Å²	14	30 Å²	30	8%	0.075	17%	0.173	C	C	.	.	S	Bend	trans	-81.2	67.1	-179.3	-67.4	-79.1	0	0	0	110.2	R379 C489 R490	R379-D426 IonicContact CZ-OD2 3.69Å; R379-D426 IonicContact NH1-OD2 3.79Å; R379-D426 PolarHBondContact NH1-OD2 2.04Å; R379-D426 VanDerWaalsContact NH1-OD2 3.07Å; R379-D426 IonicContact NH2-OD2 3.77Å; R379-D426 PolarHBondContact NH2-OD2 2.71Å; D426-C489 HydrophobicContact CB-CB 4.42Å; D426-C489 VanDerWaalsContact O-CB 3.22Å; D426-C489 WeakPolarHBondContact O-CB 3.34Å; D426-C489 PolarHBondContact O-N 3.27Å; D426-C489 PolarHBondContact O-SG 2.81Å; D426-R490 HydrophobicContact CB-CG 4.17Å; D426-R490 IonicContact OD1-NH2 2.74Å; D426-R490 IonicContact OD2-CZ 3.7Å; D426-R490 IonicContact OD2-NE 2.77Å; D426-R490 PolarHBondContact OD2-NE 2.69Å; D426-R490 VanDerWaalsContact OD2-NE 3.1Å; D426-R490 IonicContact OD2-NH1 3.15Å; D426-R490 IonicContact OD2-NH2 3.24Å; D426-R490 PolarHBondContact OD2-NH2 2.81Å
427	V	93.1	Very high	88.5	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-151.9	149.6	-169.4	67.3	0	0	0	0	109.6	C421 L422 D425 P476 S487 Y488	C421-V427 CarbonylContact C-O 3.57Å; C421-V427 VanDerWaalsContact CA-O 3.32Å; C421-V427 WeakPolarHBondContact CA-O 3.01Å; L422-V427 HydrophobicContact CB-CG1 3.78Å; L422-V427 HydrophobicContact CD1-CG1 4.48Å; L422-V427 HydrophobicContact CD2-CG1 3.71Å; L422-V427 HydrophobicContact CG-CG1 4.17Å; L422-V427 PolarHBondContact N-O 2.77Å; D425-V427 HydrophobicContact CB-CG1 3.75Å; D425-V427 PolarHBondContact O-N 3.14Å; V427-P476 HydrophobicContact CG1-CG 4.26Å; V427-P476 HydrophobicContact CG2-CB 3.66Å; V427-P476 HydrophobicContact CG2-CG 3.84Å; V427-S487 WeakPolarHBondContact CA-O 3.29Å; V427-S487 VanDerWaalsContact CG2-OG 3.24Å; V427-S487 WeakPolarHBondContact CG2-OG 3.39Å; V427-Y488 HydrophobicContact CB-CD1 4.1Å; V427-Y488 HydrophobicContact CB-CG 4.46Å; V427-Y488 HydrophobicContact CG2-CD1 3.86Å; V427-Y488 HydrophobicContact CG2-CD2 4.22Å; V427-Y488 HydrophobicContact CG2-CE1 4.14Å; V427-Y488 HydrophobicContact CG2-CE2 4.47Å; V427-Y488 HydrophobicContact CG2-CG 3.91Å
428	F	93.8	Very high	89.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	151.2	169.1	57.2	-87.3	0	0	0	111.9	I419 K420 F477 V480 S487 P538 A540	I419-F428 HydrophobicContact CG2-CD2 4.37Å; K420-F428 CarbonylContact O-C 3.59Å; K420-F428 VanDerWaalsContact O-CA 3.28Å; K420-F428 WeakPolarHBondContact O-CA 3.21Å; F428-F477 AromaticContact CD2-CD2 3.83Å; F428-F477 HydrophobicContact CD2-CD2 3.83Å; F428-F477 HydrophobicContact CD2-CE2 4.19Å; F428-F477 AromaticContact CE2-CD2 3.95Å; F428-F477 HydrophobicContact CE2-CD2 3.95Å; F428-F477 HydrophobicContact CE2-CE2 4.5Å; F428-V480 HydrophobicContact CE2-CG1 4.15Å; F428-V480 HydrophobicContact CE2-CG2 3.69Å; F428-V480 HydrophobicContact CZ-CG2 3.74Å; F428-S487 WeakPolarHBondContact CD1-O 3.44Å; F428-S487 WeakPolarHBondContact CE1-O 2.91Å; F428-S487 WeakPolarHBondContact O-CB 3.45Å; F428-S487 PolarHBondContact O-OG 3.25Å; F428-P538 HydrophobicContact CD2-CB 4.24Å; F428-P538 HydrophobicContact CD2-CG 4.11Å; F428-P538 HydrophobicContact CE2-CB 3.95Å; F428-P538 HydrophobicContact CE2-CG 3.55Å; F428-P538 HydrophobicContact CZ-CG 4.04Å; F428-A540 HydrophobicContact CB-CB 3.53Å; F428-A540 HydrophobicContact CD1-CB 4.37Å; F428-A540 HydrophobicContact CG-CB 3.91Å
429	G	92.7	Very high	90.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	172.6	-170.7	0	0	0	0	0	113.8	I419 K420 L422 R475	I419-G429 VanDerWaalsContact CA-O 3.29Å; I419-G429 WeakPolarHBondContact CA-O 3.47Å; I419-G429 WeakPolarHBondContact CG2-O 3.48Å; K420-G429 PolarHBondContact N-O 3.08Å; K420-G429 VanDerWaalsContact N-O 3.12Å; K420-G429 PolarHBondContact O-N 2.84Å; L422-G429 VanDerWaalsContact CD1-N 3.27Å; G429-R475 CarbonylContact C-O 3.6Å; G429-R475 WeakPolarHBondContact CA-O 3.46Å
430	F	90.7	Very high	91	Very high	39 Å²	39	40.2 Å²	40.2	17%	0.171	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	152.3	-175.5	63.3	-82.3	0	0	0	110.6	I419 D432 Y474 R475 F477	I419-F430 HydrophobicContact CG1-CB 4.32Å; F430-D432 HydrophobicContact CE2-CB 4.45Å; F430-D432 PolarHBondContact O-N 2.93Å; F430-Y474 CarbonylContact O-C 3.54Å; F430-Y474 WeakPolarHBondContact O-CA 3.28Å; F430-R475 WeakPolarHBondContact CD1-O 3.33Å; F430-R475 HydrophobicContact CE1-CB 4.28Å; F430-R475 HydrophobicContact CZ-CB 4.27Å; F430-R475 PolarHBondContact N-O 2.97Å; F430-R475 PolarHBondContact O-N 2.92Å; F430-F477 HydrophobicContact CB-CE1 4.3Å; F430-F477 HydrophobicContact CB-CE2 4.24Å; F430-F477 HydrophobicContact CB-CZ 3.77Å; F430-F477 AromaticContact CD1-CD1 3.71Å; F430-F477 HydrophobicContact CD1-CD1 3.71Å; F430-F477 HydrophobicContact CD1-CD2 4.26Å; F430-F477 AromaticContact CD1-CE1 3.51Å; F430-F477 HydrophobicContact CD1-CE1 3.51Å; F430-F477 HydrophobicContact CD1-CE2 4.07Å; F430-F477 HydrophobicContact CD1-CG 4.09Å; F430-F477 AromaticContact CD1-CZ 3.7Å; F430-F477 HydrophobicContact CD1-CZ 3.7Å; F430-F477 HydrophobicContact CE1-CD1 4.03Å; F430-F477 HydrophobicContact CE1-CE1 4.17Å; F430-F477 HydrophobicContact CE1-CG 4.48Å; F430-F477 HydrophobicContact CG-CE1 4.14Å; F430-F477 HydrophobicContact CG-CZ 4.1Å
431	C	92.1	Very high	91.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	126	169.9	-178.2	0	0	0	0	110.5	C411 K413 S415 L433 Y474	C411-C431 HydrophobicContact CB-CB 3.61Å; C411-C431 WeakPolarHBondContact CB-SG 3.3Å; C411-C431 WeakPolarHBondContact SG-CA 3.32Å; C411-C431 WeakPolarHBondContact SG-CB 3.48Å; C411-C431 CovalentContact SG-SG 2.01Å; C411-C431 PolarHBondContact SG-SG 3.11Å; K413-C431 WeakPolarHBondContact O-CB 3.24Å; K413-C431 PolarHBondContact O-SG 2.84Å; S415-C431 WeakPolarHBondContact CB-O 2.93Å; C431-L433 PolarHBondContact O-N 2.88Å; C431-L433 WeakPolarHBondContact SG-CB 3.45Å; C431-Y474 HydrophobicContact CB-CD1 4.29Å; C431-Y474 HydrophobicContact CB-CE1 4.04Å
432	D	91.6	Very high	91.4	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	22%	0.224	C	C	.	.			trans	-82.8	9.8	179.9	83.9	-38.5	0	0	0	114.3	F430 Q434 G464 P472 V473 R475	F430-D432 HydrophobicContact CE2-CB 4.45Å; F430-D432 PolarHBondContact O-N 2.93Å; D432-Q434 PolarHBondContact O-N 3.13Å; D432-G464 PolarHBondContact OD2-N 3.02Å; D432-P472 WeakPolarHBondContact OD1-CA 3.02Å; D432-V473 PolarHBondContact N-O 3Å; D432-V473 VanDerWaalsContact N-O 3.09Å; D432-V473 PolarHBondContact OD1-N 2.67Å; D432-V473 VanDerWaalsContact OD1-O 3.05Å; D432-R475 HydrophobicContact CB-CG 4.26Å; D432-R475 VanDerWaalsContact CB-NH1 3.34Å; D432-R475 VanDerWaalsContact CG-NH1 3.34Å; D432-R475 IonicContact OD2-CZ 3.44Å; D432-R475 IonicContact OD2-NE 3.16Å; D432-R475 IonicContact OD2-NH1 3.65Å; D432-R475 PolarHBondContact OD2-NH1 2.83Å; D432-R475 IonicContact OD2-NH2 3.04Å; D432-R475 PolarHBondContact OD2-NH2 2.85Å
433	L	94	Very high	91.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.236	C	C	.	.			trans	-62.1	117.7	175.4	178.9	59.7	0	0	0	110	L414 C431 F447 I450 P472	L414-L433 HydrophobicContact CD2-CD2 4.25Å; L414-L433 HydrophobicContact CD2-CG 4.08Å; C431-L433 PolarHBondContact O-N 2.88Å; C431-L433 WeakPolarHBondContact SG-CB 3.45Å; L433-F447 HydrophobicContact CD1-CD2 4.29Å; L433-F447 HydrophobicContact CD1-CE2 3.59Å; L433-F447 HydrophobicContact CD1-CZ 4.02Å; L433-F447 HydrophobicContact CD2-CE1 4.33Å; L433-F447 HydrophobicContact CD2-CE2 4.28Å; L433-F447 HydrophobicContact CD2-CZ 3.93Å; L433-I450 HydrophobicContact CD1-CD1 4.44Å; L433-I450 HydrophobicContact CD2-CD1 4.16Å; L433-I450 HydrophobicContact CD2-CG2 4.41Å; L433-P472 HydrophobicContact CB-CB 3.83Å; L433-P472 HydrophobicContact CD1-CB 4.12Å; L433-P472 HydrophobicContact CD1-CG 4.26Å; L433-P472 HydrophobicContact CG-CB 4.5Å
434	Q	92	Very high	92.5	Very high	43 Å²	43	42.1 Å²	42.1	20%	0.201	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	162.2	-176.1	63.7	-177	-24.4	0	0	112.2	D432 Q436 Y461 A462	D432-Q434 PolarHBondContact O-N 3.13Å; Q434-Q436 PolarHBondContact O-N 2.79Å; Q434-Y461 WeakPolarHBondContact O-CA 3.36Å; Q434-A462 PolarHBondContact N-O 3.49Å; Q434-A462 VanDerWaalsContact N-O 3.16Å; Q434-A462 PolarHBondContact O-N 2.76Å; Q434-A462 VanDerWaalsContact O-O 3.1Å
435	R	93.9	Very high	93.3	Very high	108 Å²	108	42.1 Å²	42.1	41%	0.408	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	122.2	172	-165.2	-175.7	-175.7	-76.6	2.7	109.7	E457 Y460 Y461	R435-E457 IonicContact CZ-OE2 2.79Å; R435-E457 VanDerWaalsContact CZ-OE2 3.3Å; R435-E457 IonicContact NE-OE2 2.72Å; R435-E457 PolarHBondContact NE-OE2 3.12Å; R435-E457 IonicContact NH2-OE2 3.07Å; R435-E457 PolarHBondContact NH2-OE2 2.98Å; R435-Y460 CarbonylContact C-O 3.57Å; R435-Y460 WeakPolarHBondContact CA-O 3.45Å; R435-Y461 HydrophobicContact CB-CD1 4.42Å; R435-Y461 HydrophobicContact CB-CE1 3.93Å; R435-Y461 HydrophobicContact CB-CE2 4.03Å; R435-Y461 HydrophobicContact CG-CD2 4.41Å; R435-Y461 HydrophobicContact CG-CE2 3.95Å
436	Q	92.8	Very high	93.9	Very high	29 Å²	29	41.6 Å²	41.6	14%	0.136	20%	0.198	C	C	.	.			trans	-78.6	157.4	174.5	-53.5	-63.7	-44.4	0	0	110.2	Q434 V440 Y460 A462 G463	Q434-Q436 PolarHBondContact O-N 2.79Å; Q436-V440 HydrophobicContact CB-CG2 4.17Å; Q436-V440 HydrophobicContact CG-CG2 3.72Å; Q436-Y460 VanDerWaalsContact CB-O 3.31Å; Q436-Y460 WeakPolarHBondContact CB-O 3.15Å; Q436-Y460 WeakPolarHBondContact CG-O 3.2Å; Q436-Y460 PolarHBondContact N-O 3.09Å; Q436-A462 HydrophobicContact CG-CB 4.27Å; Q436-A462 PolarHBondContact NE2-O 3.38Å; Q436-A462 VanDerWaalsContact NE2-O 3.12Å; Q436-G463 PolarHBondContact NE2-O 2.04Å
437	K	92.7	Very high	94.2	Very high	176 Å²	176	41.8 Å²	41.8	77%	0.765	20%	0.199	S	C	*	.	S	Bend	trans	-62.6	-48.8	176.3	-177.9	-176.6	175.7	-174.6	0	111.2
438	D	94.1	Very high	94.4	Very high	111 Å²	111	46.4 Å²	46.4	59%	0.594	23%	0.227	S	C	*	.	S	Bend	trans	-111.3	161.9	-176.3	-57.6	-62.1	0	0	0	111.1	V440	D438-V440 PolarHBondContact O-N 2.9Å
439	K	96.3	Very high	94.4	Very high	127 Å²	127	50.4 Å²	50.4	55%	0.552	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-61.6	131.2	176.6	-174.8	177	179.4	-179.8	0	109.7	P459 Y460	K439-P459 HydrophobicContact CD-CB 4.3Å; K439-P459 HydrophobicContact CG-CB 3.93Å; K439-Y460 HydrophobicContact CB-CD1 4.31Å; K439-Y460 HydrophobicContact CB-CE1 3.83Å
440	V	95.7	Very high	94.5	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.024	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-72.6	140.2	-179	-179.6	0	0	0	0	109.7	Q436 D438 N444 Q445 P459 A462	Q436-V440 HydrophobicContact CB-CG2 4.17Å; Q436-V440 HydrophobicContact CG-CG2 3.72Å; D438-V440 PolarHBondContact O-N 2.9Å; V440-N444 HydrophobicContact CG1-CB 3.56Å; V440-N444 WeakPolarHBondContact CG1-O 2.93Å; V440-Q445 HydrophobicContact CB-CG 4.15Å; V440-Q445 HydrophobicContact CG1-CG 4.33Å; V440-Q445 PolarHBondContact O-NE2 3.27Å; V440-P459 VanDerWaalsContact CB-O 3.31Å; V440-P459 WeakPolarHBondContact CB-O 3.31Å; V440-P459 WeakPolarHBondContact CG2-O 3.39Å; V440-P459 PolarHBondContact N-O 3.25Å; V440-A462 HydrophobicContact CG1-CB 4.2Å; V440-A462 HydrophobicContact CG2-CB 3.9Å
441	P	94.9	Very high	94.5	Very high	52 Å²	52	55.8 Å²	55.8	34%	0.338	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-51.1	146.9	172.8	-27.3	35.5	0	0	0	112.2	E443 N444 Q445	P441-E443 VanDerWaalsContact CB-CD 3.47Å; P441-E443 HydrophobicContact CB-CG 4.27Å; P441-E443 WeakPolarHBondContact CB-OE2 3.43Å; P441-E443 PolarHBondContact O-N 3.47Å; P441-N444 CarbonylContact O-C 3.33Å; P441-N444 PolarHBondContact O-N 3.48Å; P441-Q445 PolarHBondContact O-N 3.1Å
442	V	96.5	Very high	94.5	Very high	73 Å²	73	60.1 Å²	60.1	44%	0.442	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-60.4	-34.6	-171.7	-69.1	0	0	0	0	112.4	S286 V288 N444 Q445	S286-V442 WeakPolarHBondContact CB-O 3.23Å; S286-V442 PolarHBondContact OG-O 3.16Å; V288-V442 HydrophobicContact CG2-CB 3.68Å; V288-V442 HydrophobicContact CG2-CG1 4.22Å; V288-V442 WeakPolarHBondContact CG2-O 3.34Å; V442-N444 PolarHBondContact O-N 3.22Å; V442-Q445 PolarHBondContact O-N 3.1Å
443	E	95.2	Very high	94.6	Very high	64 Å²	64	61 Å²	61	30%	0.299	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-68.6	-18.1	175.8	63.2	-88.6	-147.3	0	0	113.8	W284 P441 Y446	W284-E443 PolarHBondContact NE1-O 3.31Å; P441-E443 VanDerWaalsContact CB-CD 3.47Å; P441-E443 HydrophobicContact CB-CG 4.27Å; P441-E443 WeakPolarHBondContact CB-OE2 3.43Å; P441-E443 PolarHBondContact O-N 3.47Å; E443-Y446 WeakPolarHBondContact O-CE1 3.37Å
444	N	96	Very high	94.7	Very high	11 Å²	11	64 Å²	64	6%	0.059	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-109.7	10.7	178.8	-56.8	116.6	0	0	0	113.4	R293 V440 P441 V442 Y446 D469 R470	R293-N444 PolarHBondContact NH2-ND2 2.92Å; R293-N444 VanDerWaalsContact NH2-ND2 3.19Å; V440-N444 HydrophobicContact CG1-CB 3.56Å; V440-N444 WeakPolarHBondContact CG1-O 2.93Å; P441-N444 CarbonylContact O-C 3.33Å; P441-N444 PolarHBondContact O-N 3.48Å; V442-N444 PolarHBondContact O-N 3.22Å; N444-Y446 HydrophobicContact CB-CE2 4.34Å; N444-Y446 PolarHBondContact ND2-OH 2.81Å; N444-Y446 VanDerWaalsContact ND2-OH 3.08Å; N444-Y446 WeakPolarHBondContact O-CD2 3.46Å; N444-Y446 WeakPolarHBondContact O-CE2 3.11Å; N444-D469 PolarHBondContact ND2-O 2.86Å; N444-R470 HydrophobicContact CB-CB 4.31Å; N444-R470 HydrophobicContact CB-CG 4.5Å
445	Q	97.1	Very high	94.9	Very high	14 Å²	14	65.9 Å²	65.9	7%	0.065	38%	0.38	C	S	.	.			trans	-89	107.9	174.1	-71.3	173.4	34.8	0	0	110.1	S286 A287 V288 V440 P441 V442	S286-Q445 WeakPolarHBondContact CB-O 3.38Å; A287-Q445 VanDerWaalsContact CB-O 3.31Å; A287-Q445 WeakPolarHBondContact CB-O 3.16Å; A287-Q445 PolarHBondContact N-O 3.26Å; V288-Q445 HydrophobicContact CG2-CB 4.09Å; V440-Q445 HydrophobicContact CB-CG 4.15Å; V440-Q445 HydrophobicContact CG1-CG 4.33Å; V440-Q445 PolarHBondContact O-NE2 3.27Å; P441-Q445 PolarHBondContact O-N 3.1Å; V442-Q445 PolarHBondContact O-N 3.1Å
446	Y	97.5	Very high	95	Very high	3 Å²	3	64.9 Å²	64.9	1%	0.012	39%	0.389	C	S	.	.			trans	-108.1	11.9	-168.4	-54.2	-51.5	0	0	0	115.1	C393 Y394 E443 N444 D469 R470 C471	C393-Y446 VanDerWaalsContact SG-CD2 3.55Å; C393-Y446 WeakPolarHBondContact SG-CE2 3.34Å; C393-Y446 VanDerWaalsContact SG-CZ 3.58Å; Y394-Y446 WeakPolarHBondContact CD2-O 3.06Å; E443-Y446 WeakPolarHBondContact O-CE1 3.37Å; N444-Y446 HydrophobicContact CB-CE2 4.34Å; N444-Y446 PolarHBondContact ND2-OH 2.81Å; N444-Y446 VanDerWaalsContact ND2-OH 3.08Å; N444-Y446 WeakPolarHBondContact O-CD2 3.46Å; N444-Y446 WeakPolarHBondContact O-CE2 3.11Å; Y446-D469 VanDerWaalsContact CE2-O 3.26Å; Y446-D469 WeakPolarHBondContact CE2-O 3.39Å; Y446-D469 PolarHBondContact OH-O 2.98Å; Y446-R470 WeakPolarHBondContact CE2-O 3.3Å; Y446-C471 HydrophobicContact CE2-CB 4.4Å
447	F	96.5	Very high	95.2	Very high	19 Å²	19	66.4 Å²	66.4	8%	0.083	40%	0.396	C	S	.	.			trans	-134.1	128.3	-172.9	-63.9	-80.7	0	0	0	112.6	M397 T412 L433 I450 L458 P472	M397-F447 HydrophobicContact CE-CZ 4.49Å; T412-F447 HydrophobicContact CG2-CE1 3.81Å; L433-F447 HydrophobicContact CD1-CD2 4.29Å; L433-F447 HydrophobicContact CD1-CE2 3.59Å; L433-F447 HydrophobicContact CD1-CZ 4.02Å; L433-F447 HydrophobicContact CD2-CE1 4.33Å; L433-F447 HydrophobicContact CD2-CE2 4.28Å; L433-F447 HydrophobicContact CD2-CZ 3.93Å; F447-I450 HydrophobicContact CB-CD1 3.95Å; F447-I450 HydrophobicContact CB-CG1 3.8Å; F447-I450 HydrophobicContact CD1-CD1 4.28Å; F447-I450 HydrophobicContact CD1-CG1 3.83Å; F447-I450 HydrophobicContact CD2-CD1 4Å; F447-I450 HydrophobicContact CD2-CG1 4.44Å; F447-I450 HydrophobicContact CG-CD1 3.8Å; F447-I450 HydrophobicContact CG-CG1 3.76Å; F447-L458 HydrophobicContact CB-CD2 4.42Å; F447-P472 HydrophobicContact CE2-CG 3.71Å; F447-P472 HydrophobicContact CZ-CG 3.47Å; F447-P472 VanDerWaalsContact CZ-CG 3.47Å
448	T	95.7	Very high	95.4	Very high	96 Å²	96	59 Å²	59	59%	0.589	37%	0.365	S	S	*	.	S	Bend	trans	-89.7	-17.8	166.9	53.2	0	0	0	0	112.3	A287 L458	A287-T448 HydrophobicContact CB-CG2 4.03Å; T448-L458 VanDerWaalsContact O-CD1 3.27Å; T448-L458 WeakPolarHBondContact O-CD1 3.36Å
449	S	95.1	Very high	95.6	Very high	84 Å²	84	54.9 Å²	54.9	59%	0.587	34%	0.344	S	S	*	.			trans	-161.1	144	177.2	55	0	0	0	0	110
450	I	94	Very high	95.6	Very high	10 Å²	10	52.2 Å²	52.2	5%	0.051	33%	0.331	C	S	.	.			trans	-136.2	132.5	168.8	-58.6	167.9	0	0	0	106.1	L414 L433 F447 G452 V453 L458 Y461	L414-I450 HydrophobicContact CD2-CG2 4.21Å; L414-I450 HydrophobicContact CG-CG2 4.14Å; L433-I450 HydrophobicContact CD1-CD1 4.44Å; L433-I450 HydrophobicContact CD2-CD1 4.16Å; L433-I450 HydrophobicContact CD2-CG2 4.41Å; F447-I450 HydrophobicContact CB-CD1 3.95Å; F447-I450 HydrophobicContact CB-CG1 3.8Å; F447-I450 HydrophobicContact CD1-CD1 4.28Å; F447-I450 HydrophobicContact CD1-CG1 3.83Å; F447-I450 HydrophobicContact CD2-CD1 4Å; F447-I450 HydrophobicContact CD2-CG1 4.44Å; F447-I450 HydrophobicContact CG-CD1 3.8Å; F447-I450 HydrophobicContact CG-CG1 3.76Å; I450-G452 PolarHBondContact O-N 2.88Å; I450-V453 HydrophobicContact CB-CB 3.96Å; I450-V453 HydrophobicContact CB-CG2 3.87Å; I450-V453 HydrophobicContact CG2-CB 4.35Å; I450-V453 HydrophobicContact CG2-CG2 3.71Å; I450-V453 PolarHBondContact O-N 3.2Å; I450-L458 HydrophobicContact CB-CD2 4.02Å; I450-L458 HydrophobicContact CD1-CD2 3.85Å; I450-L458 HydrophobicContact CG1-CD2 3.73Å; I450-Y461 HydrophobicContact CD1-CD1 4.17Å; I450-Y461 HydrophobicContact CD1-CG 3.87Å
451	D	91	Very high	95.7	Very high	143 Å²	143	53.8 Å²	53.8	77%	0.765	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	128	-178.9	-69	-18.6	0	0	0	111	V453	D451-V453 VanDerWaalsContact C-N 3.28Å; D451-V453 PolarHBondContact O-N 2.81Å
452	G	91.1	Very high	95.7	Very high	91 Å²	91	51.3 Å²	51.3	94%	0.938	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	2.5	-178.5	0	0	0	0	0	115.5	I450	I450-G452 PolarHBondContact O-N 2.88Å
453	V	94.1	Very high	95.5	Very high	22 Å²	22	47.8 Å²	47.8	13%	0.133	30%	0.3	C	S	.	.			trans	-111	130.4	178	-176.9	0	0	0	0	110	L414 I450 D451 E457 L458 Y461	L414-V453 HydrophobicContact CD1-CG2 4Å; I450-V453 HydrophobicContact CB-CB 3.96Å; I450-V453 HydrophobicContact CB-CG2 3.87Å; I450-V453 HydrophobicContact CG2-CB 4.35Å; I450-V453 HydrophobicContact CG2-CG2 3.71Å; I450-V453 PolarHBondContact O-N 3.2Å; D451-V453 VanDerWaalsContact C-N 3.28Å; D451-V453 PolarHBondContact O-N 2.81Å; V453-E457 HydrophobicContact CG1-CB 3.8Å; V453-L458 HydrophobicContact CB-CD2 4.41Å; V453-L458 HydrophobicContact CG1-CD2 4.05Å; V453-Y461 HydrophobicContact CB-CE2 4.45Å; V453-Y461 HydrophobicContact CG1-CD2 3.8Å; V453-Y461 HydrophobicContact CG1-CE2 3.45Å; V453-Y461 VanDerWaalsContact CG1-CE2 3.45Å; V453-Y461 HydrophobicContact CG2-CE1 4.09Å; V453-Y461 HydrophobicContact CG2-CE2 4.09Å
454	S	96.2	Very high	95	Very high	65 Å²	65	46 Å²	46	46%	0.455	30%	0.298	S	S	.	.			trans	-71	151.4	176	66	0	0	0	0	111.6	S456 E457 L458	S454-S456 PolarHBondContact O-N 2.03Å; S454-S456 VanDerWaalsContact O-N 3.14Å; S454-S456 PolarHBondContact OG-OG 3.18Å; S454-E457 PolarHBondContact O-N 3.11Å; S454-E457 WeakPolarHBondContact OG-CG 3.4Å; S454-L458 PolarHBondContact O-N 3.5Å
455	A	96.1	Very high	94.6	Very high	82 Å²	82	45.6 Å²	45.6	68%	0.678	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.9	-179.7	0	0	0	0	0	113.6	E457 L458	A455-E457 VanDerWaalsContact C-N 3.28Å; A455-E457 PolarHBondContact O-N 2.99Å; A455-L458 HydrophobicContact CB-CD1 4.46Å
456	S	96.6	Very high	94.2	Very high	87 Å²	87	48.6 Å²	48.6	61%	0.608	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-25.2	177.4	59.7	0	0	0	0	113.5	S454	S454-S456 PolarHBondContact O-N 2.03Å; S454-S456 VanDerWaalsContact O-N 3.14Å; S454-S456 PolarHBondContact OG-OG 3.18Å
457	E	97	Very high	93.8	Very high	60 Å²	60	48.8 Å²	48.8	28%	0.28	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-19.2	-179.2	-69.4	-63.8	121.2	0	0	112.8	R435 V453 S454 A455 P459 Y460 Y461	R435-E457 IonicContact CZ-OE2 2.79Å; R435-E457 VanDerWaalsContact CZ-OE2 3.3Å; R435-E457 IonicContact NE-OE2 2.72Å; R435-E457 PolarHBondContact NE-OE2 3.12Å; R435-E457 IonicContact NH2-OE2 3.07Å; R435-E457 PolarHBondContact NH2-OE2 2.98Å; V453-E457 HydrophobicContact CG1-CB 3.8Å; S454-E457 PolarHBondContact O-N 3.11Å; S454-E457 WeakPolarHBondContact OG-CG 3.4Å; A455-E457 VanDerWaalsContact C-N 3.28Å; A455-E457 PolarHBondContact O-N 2.99Å; E457-P459 VanDerWaalsContact C-N 3.3Å; E457-P459 VanDerWaalsContact O-N 3.15Å; E457-Y460 WeakPolarHBondContact O-CB 3.33Å; E457-Y460 PolarHBondContact O-N 3.24Å; E457-Y461 HydrophobicContact CB-CE2 4.17Å; E457-Y461 WeakPolarHBondContact O-CD2 2.97Å
458	L	96.8	Very high	93.6	Very high	20 Å²	20	48 Å²	48	11%	0.105	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-49	-40.6	-179	-66.6	173.9	0	0	0	114.5	F447 T448 I450 V453 S454 A455 Y460 Y461	F447-L458 HydrophobicContact CB-CD2 4.42Å; T448-L458 VanDerWaalsContact O-CD1 3.27Å; T448-L458 WeakPolarHBondContact O-CD1 3.36Å; I450-L458 HydrophobicContact CB-CD2 4.02Å; I450-L458 HydrophobicContact CD1-CD2 3.85Å; I450-L458 HydrophobicContact CG1-CD2 3.73Å; V453-L458 HydrophobicContact CB-CD2 4.41Å; V453-L458 HydrophobicContact CG1-CD2 4.05Å; S454-L458 PolarHBondContact O-N 3.5Å; A455-L458 HydrophobicContact CB-CD1 4.46Å; L458-Y460 PolarHBondContact O-N 2.95Å; L458-Y461 PolarHBondContact O-N 2.84Å
459	P	97.7	Very high	93.5	Very high	25 Å²	25	43.5 Å²	43.5	16%	0.162	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-63.6	-8.3	178.2	-25.1	37.6	0	0	0	115.2	K439 V440 E457	K439-P459 HydrophobicContact CD-CB 4.3Å; K439-P459 HydrophobicContact CG-CB 3.93Å; V440-P459 VanDerWaalsContact CB-O 3.31Å; V440-P459 WeakPolarHBondContact CB-O 3.31Å; V440-P459 WeakPolarHBondContact CG2-O 3.39Å; V440-P459 PolarHBondContact N-O 3.25Å; E457-P459 VanDerWaalsContact C-N 3.3Å; E457-P459 VanDerWaalsContact O-N 3.15Å
460	Y	97.3	Very high	93.5	Very high	72 Å²	72	42.1 Å²	42.1	28%	0.282	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-100.5	-2.7	176.2	-61.7	-95.6	0	0	0	112.3	R435 Q436 K439 E457 L458	R435-Y460 CarbonylContact C-O 3.57Å; R435-Y460 WeakPolarHBondContact CA-O 3.45Å; Q436-Y460 VanDerWaalsContact CB-O 3.31Å; Q436-Y460 WeakPolarHBondContact CB-O 3.15Å; Q436-Y460 WeakPolarHBondContact CG-O 3.2Å; Q436-Y460 PolarHBondContact N-O 3.09Å; K439-Y460 HydrophobicContact CB-CD1 4.31Å; K439-Y460 HydrophobicContact CB-CE1 3.83Å; E457-Y460 WeakPolarHBondContact O-CB 3.33Å; E457-Y460 PolarHBondContact O-N 3.24Å; L458-Y460 PolarHBondContact O-N 2.95Å
461	Y	96.5	Very high	93.6	Very high	36 Å²	36	41.7 Å²	41.7	14%	0.141	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.3	-179.9	-78.8	-99.5	0	0	0	111.4	L414 Q434 R435 I450 V453 E457 L458	L414-Y461 HydrophobicContact CD1-CE1 4.43Å; L414-Y461 HydrophobicContact CD2-CD1 3.81Å; L414-Y461 HydrophobicContact CD2-CE1 3.54Å; Q434-Y461 WeakPolarHBondContact O-CA 3.36Å; R435-Y461 HydrophobicContact CB-CD1 4.42Å; R435-Y461 HydrophobicContact CB-CE1 3.93Å; R435-Y461 HydrophobicContact CB-CE2 4.03Å; R435-Y461 HydrophobicContact CG-CD2 4.41Å; R435-Y461 HydrophobicContact CG-CE2 3.95Å; I450-Y461 HydrophobicContact CD1-CD1 4.17Å; I450-Y461 HydrophobicContact CD1-CG 3.87Å; V453-Y461 HydrophobicContact CB-CE2 4.45Å; V453-Y461 HydrophobicContact CG1-CD2 3.8Å; V453-Y461 HydrophobicContact CG1-CE2 3.45Å; V453-Y461 VanDerWaalsContact CG1-CE2 3.45Å; V453-Y461 HydrophobicContact CG2-CE1 4.09Å; V453-Y461 HydrophobicContact CG2-CE2 4.09Å; E457-Y461 HydrophobicContact CB-CE2 4.17Å; E457-Y461 WeakPolarHBondContact O-CD2 2.97Å; L458-Y461 PolarHBondContact O-N 2.84Å
462	A	95.5	Very high	93.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	173	173.3	0	0	0	0	0	110.3	Q434 Q436 V440 R470	Q434-A462 PolarHBondContact N-O 3.49Å; Q434-A462 VanDerWaalsContact N-O 3.16Å; Q434-A462 PolarHBondContact O-N 2.76Å; Q434-A462 VanDerWaalsContact O-O 3.1Å; Q436-A462 HydrophobicContact CG-CB 4.27Å; Q436-A462 PolarHBondContact NE2-O 3.38Å; Q436-A462 VanDerWaalsContact NE2-O 3.12Å; V440-A462 HydrophobicContact CG1-CB 4.2Å; V440-A462 HydrophobicContact CG2-CB 3.9Å; A462-R470 HydrophobicContact CB-CB 3.87Å
463	G	93.1	Very high	93.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.182	C	C	.	.			trans	-61.9	154.3	166.6	0	0	0	0	0	111.5	Q436 S465 R470	Q436-G463 PolarHBondContact NE2-O 2.04Å; G463-S465 PolarHBondContact O-N 2.88Å; G463-R470 WeakPolarHBondContact CA-O 3.2Å; G463-R470 PolarHBondContact N-O 2.91Å
464	G	85.1	Confident	93.7	Very high	26 Å²	26	30.2 Å²	30.2	27%	0.268	18%	0.178	S	C	.	.	S	Bend	trans	-73.9	-20.6	-175.1	0	0	0	0	0	115.2	D432	D432-G464 PolarHBondContact OD2-N 3.02Å
465	S	87.1	Confident	93.4	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.021	16%	0.16	C	C	.	.			trans	-97.3	118.9	-173.3	-164.3	0	0	0	0	111.7	K19 G463 L467 S468 R470 R475	K19-S465 VanDerWaalsContact NZ-CB 3.27Å; K19-S465 PolarHBondContact NZ-OG 3.01Å; K19-S465 VanDerWaalsContact NZ-OG 3.09Å; G463-S465 PolarHBondContact O-N 2.88Å; S465-L467 VanDerWaalsContact C-N 3.33Å; S465-S468 WeakPolarHBondContact CB-OG 3Å; S465-S468 PolarHBondContact O-N 2.65Å; S465-S468 PolarHBondContact OG-OG 3.09Å; S465-R470 WeakPolarHBondContact O-CA 3.43Å; S465-R470 PolarHBondContact O-N 2.81Å; S465-R475 VanDerWaalsContact CB-NH2 3.32Å
466	L	88.8	Confident	93.2	Very high	77 Å²	77	25.7 Å²	25.7	40%	0.403	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-59.7	-45.7	171.1	-178.9	65.7	0	0	0	111.1	D324 S468 D469 R470	D324-L466 HydrophobicContact CB-CD2 4.49Å; D324-L466 HydrophobicContact CB-CG 4.19Å; L466-S468 PolarHBondContact O-N 3.34Å; L466-S468 VanDerWaalsContact O-N 3.15Å; L466-D469 WeakPolarHBondContact O-CA 3.44Å; L466-D469 PolarHBondContact O-N 2.96Å; L466-R470 HydrophobicContact CD1-CG 4.35Å
467	L	88.8	Confident	92.9	Very high	7 Å²	7	22.2 Å²	22.2	4%	0.037	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-63.9	-16.6	-179.7	-62.8	171.4	0	0	0	114	V21 E322 D324 T329 K336 G346 S465 D469	V21-L467 HydrophobicContact CG2-CD1 4.36Å; E322-L467 WeakPolarHBondContact OE2-CD2 3.44Å; D324-L467 HydrophobicContact CB-CD2 3.98Å; T329-L467 HydrophobicContact CG2-CD1 4.16Å; T329-L467 HydrophobicContact CG2-CD2 3.75Å; K336-L467 HydrophobicContact CB-CB 4.24Å; K336-L467 WeakPolarHBondContact CB-O 3.07Å; K336-L467 HydrophobicContact CD-CB 3.92Å; G346-L467 WeakPolarHBondContact O-CD1 3.17Å; S465-L467 VanDerWaalsContact C-N 3.33Å; L467-D469 PolarHBondContact O-N 3.49Å
468	S	92.2	Very high	92.5	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.014	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-95.4	27.8	172.1	-49.2	0	0	0	0	110.8	E340 S465 L466 R470 C471	E340-S468 PolarHBondContact OE2-OG 2.8Å; S465-S468 WeakPolarHBondContact CB-OG 3Å; S465-S468 PolarHBondContact O-N 2.65Å; S465-S468 PolarHBondContact OG-OG 3.09Å; L466-S468 PolarHBondContact O-N 3.34Å; L466-S468 VanDerWaalsContact O-N 3.15Å; S468-R470 PolarHBondContact O-N 3.31Å; S468-R470 VanDerWaalsContact O-N 3.09Å; S468-C471 WeakPolarHBondContact O-CB 3.47Å; S468-C471 PolarHBondContact O-N 3.15Å
469	D	93.9	Very high	92	Very high	2 Å²	2	26 Å²	26	1%	0.011	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	24.6	-170.7	-74.5	-59.8	0	0	0	114.2	W284 R293 R337 N444 Y446 L466 L467 C471	W284-D469 HydrophobicContact CH2-CB 4.14Å; W284-D469 WeakPolarHBondContact CH2-OD2 3.19Å; W284-D469 HydrophobicContact CZ2-CB 3.91Å; R293-D469 IonicContact CZ-OD1 3.23Å; R293-D469 IonicContact NH1-OD1 2.82Å; R293-D469 PolarHBondContact NH1-OD1 3.05Å; R293-D469 IonicContact NH1-OD2 3.3Å; R337-D469 WeakPolarHBondContact CD-OD2 3.33Å; R337-D469 IonicContact NE-OD2 3.18Å; R337-D469 PolarHBondContact NE-OD2 2.92Å; N444-D469 PolarHBondContact ND2-O 2.86Å; Y446-D469 VanDerWaalsContact CE2-O 3.26Å; Y446-D469 WeakPolarHBondContact CE2-O 3.39Å; Y446-D469 PolarHBondContact OH-O 2.98Å; L466-D469 WeakPolarHBondContact O-CA 3.44Å; L466-D469 PolarHBondContact O-N 2.96Å; L467-D469 PolarHBondContact O-N 3.49Å; D469-C471 PolarHBondContact O-N 3.12Å; D469-C471 VanDerWaalsContact O-N 3.11Å
470	R	94.3	Very high	91.5	Very high	55 Å²	55	24.8 Å²	24.8	21%	0.208	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	19.9	-167.7	-50.9	177.4	167.3	-98.7	1.2	113.9	N444 Y446 A462 G463 S465 L466 S468	N444-R470 HydrophobicContact CB-CB 4.31Å; N444-R470 HydrophobicContact CB-CG 4.5Å; Y446-R470 WeakPolarHBondContact CE2-O 3.3Å; A462-R470 HydrophobicContact CB-CB 3.87Å; G463-R470 WeakPolarHBondContact CA-O 3.2Å; G463-R470 PolarHBondContact N-O 2.91Å; S465-R470 WeakPolarHBondContact O-CA 3.43Å; S465-R470 PolarHBondContact O-N 2.81Å; L466-R470 HydrophobicContact CD1-CG 4.35Å; S468-R470 PolarHBondContact O-N 3.31Å; S468-R470 VanDerWaalsContact O-N 3.09Å
471	C	96.2	Very high	90.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.			trans	-68.6	127.4	172.1	-68.2	0	0	0	0	109.1	C393 Y410 Y446 S468 D469 V473	C393-C471 HydrophobicContact CB-CB 3.59Å; C393-C471 WeakPolarHBondContact CB-SG 3.36Å; C393-C471 VanDerWaalsContact SG-CA 3.58Å; C393-C471 WeakPolarHBondContact SG-CB 3.21Å; C393-C471 CovalentContact SG-SG 2.03Å; C393-C471 PolarHBondContact SG-SG 3.17Å; Y410-C471 HydrophobicContact CD1-CB 3.83Å; Y410-C471 HydrophobicContact CE1-CB 3.49Å; Y410-C471 VanDerWaalsContact CE1-CB 3.49Å; Y446-C471 HydrophobicContact CE2-CB 4.4Å; S468-C471 WeakPolarHBondContact O-CB 3.47Å; S468-C471 PolarHBondContact O-N 3.15Å; D469-C471 PolarHBondContact O-N 3.12Å; D469-C471 VanDerWaalsContact O-N 3.11Å; C471-V473 PolarHBondContact O-N 2.82Å
472	P	94.9	Very high	90.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.168	C	C	.	.			trans	-75.6	128.1	179.7	26.8	-29.5	0	0	0	110.7	Y410 C411 D432 L433 F447	Y410-P472 CarbonylContact C-O 3.54Å; Y410-P472 WeakPolarHBondContact CA-O 3.39Å; Y410-P472 WeakPolarHBondContact CB-O 3.46Å; Y410-P472 WeakPolarHBondContact CD1-O 3.48Å; C411-P472 PolarHBondContact N-O 3.39Å; C411-P472 VanDerWaalsContact N-O 3.11Å; C411-P472 WeakPolarHBondContact O-CG 3.07Å; D432-P472 WeakPolarHBondContact OD1-CA 3.02Å; L433-P472 HydrophobicContact CB-CB 3.83Å; L433-P472 HydrophobicContact CD1-CB 4.12Å; L433-P472 HydrophobicContact CD1-CG 4.26Å; L433-P472 HydrophobicContact CG-CB 4.5Å; F447-P472 HydrophobicContact CE2-CG 3.71Å; F447-P472 HydrophobicContact CZ-CG 3.47Å; F447-P472 VanDerWaalsContact CZ-CG 3.47Å
473	V	92.7	Very high	89.7	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.018	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-131.8	154.5	-175.7	-67.4	0	0	0	0	110.6	P409 Y410 C411 D432 C471 R475	P409-V473 HydrophobicContact CB-CG1 4.41Å; P409-V473 HydrophobicContact CG-CG1 4.34Å; P409-V473 WeakPolarHBondContact O-CA 3.08Å; Y410-V473 HydrophobicContact CD1-CG1 3.55Å; Y410-V473 HydrophobicContact CE1-CG1 3.83Å; C411-V473 VanDerWaalsContact SG-C 3.59Å; D432-V473 PolarHBondContact N-O 3Å; D432-V473 VanDerWaalsContact N-O 3.09Å; D432-V473 PolarHBondContact OD1-N 2.67Å; D432-V473 VanDerWaalsContact OD1-O 3.05Å; C471-V473 PolarHBondContact O-N 2.82Å; V473-R475 HydrophobicContact CG2-CG 4.26Å
474	Y	92.1	Very high	89.4	Confident	13 Å²	13	38.4 Å²	38.4	5%	0.051	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	133.9	167.3	-67.9	-79.8	0	0	0	110.3	P409 Y410 C411 D418 K420 Y424 F430 C431	P409-Y474 PolarHBondContact O-N 3.36Å; Y410-Y474 WeakPolarHBondContact O-CE2 3.34Å; C411-Y474 HydrophobicContact CB-CD1 4.49Å; C411-Y474 HydrophobicContact CB-CD2 3.97Å; C411-Y474 HydrophobicContact CB-CE1 4.01Å; C411-Y474 HydrophobicContact CB-CE2 3.42Å; C411-Y474 VanDerWaalsContact CB-CE2 3.42Å; C411-Y474 HydrophobicContact CB-CG 4.46Å; C411-Y474 VanDerWaalsContact CB-CZ 3.43Å; D418-Y474 WeakPolarHBondContact OD2-CE1 3.32Å; D418-Y474 VanDerWaalsContact OD2-CZ 3.31Å; D418-Y474 PolarHBondContact OD2-OH 3.11Å; K420-Y474 HydrophobicContact CD-CE1 3.98Å; K420-Y474 HydrophobicContact CD-CE2 4.35Å; K420-Y474 WeakPolarHBondContact CE-OH 3.22Å; K420-Y474 HydrophobicContact CG-CD1 4.25Å; K420-Y474 HydrophobicContact CG-CE1 4.07Å; K420-Y474 PolarHBondContact NZ-OH 2.92Å; Y424-Y474 PolarHBondContact OH-O 2.81Å; F430-Y474 CarbonylContact O-C 3.54Å; F430-Y474 WeakPolarHBondContact O-CA 3.28Å; C431-Y474 HydrophobicContact CB-CD1 4.29Å; C431-Y474 HydrophobicContact CB-CE1 4.04Å
475	R	89.6	Confident	89.6	Confident	22 Å²	22	37.9 Å²	37.9	8%	0.083	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.9	177.9	-68.7	-153.5	176	103.7	26.3	112.7	G429 F430 D432 S465 V473	G429-R475 CarbonylContact C-O 3.6Å; G429-R475 WeakPolarHBondContact CA-O 3.46Å; F430-R475 WeakPolarHBondContact CD1-O 3.33Å; F430-R475 HydrophobicContact CE1-CB 4.28Å; F430-R475 HydrophobicContact CZ-CB 4.27Å; F430-R475 PolarHBondContact N-O 2.97Å; F430-R475 PolarHBondContact O-N 2.92Å; D432-R475 HydrophobicContact CB-CG 4.26Å; D432-R475 VanDerWaalsContact CB-NH1 3.34Å; D432-R475 VanDerWaalsContact CG-NH1 3.34Å; D432-R475 IonicContact OD2-CZ 3.44Å; D432-R475 IonicContact OD2-NE 3.16Å; D432-R475 IonicContact OD2-NH1 3.65Å; D432-R475 PolarHBondContact OD2-NH1 2.83Å; D432-R475 IonicContact OD2-NH2 3.04Å; D432-R475 PolarHBondContact OD2-NH2 2.85Å; S465-R475 VanDerWaalsContact CB-NH2 3.32Å; V473-R475 HydrophobicContact CG2-CG 4.26Å
476	P	92.1	Very high	89.9	Confident	29 Å²	29	38.3 Å²	38.3	19%	0.188	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	147.1	167.9	-28.5	38.6	0	0	0	112.8	L422 V427 Y488	L422-P476 HydrophobicContact CD2-CG 4.05Å; V427-P476 HydrophobicContact CG1-CG 4.26Å; V427-P476 HydrophobicContact CG2-CB 3.66Å; V427-P476 HydrophobicContact CG2-CG 3.84Å; P476-Y488 HydrophobicContact CB-CE1 4.39Å; P476-Y488 HydrophobicContact CB-CE2 3.69Å; P476-Y488 HydrophobicContact CG-CE1 4.18Å; P476-Y488 HydrophobicContact CG-CE2 4.31Å; P476-Y488 WeakPolarHBondContact CG-OH 3.49Å
477	F	90.2	Very high	90.1	Very high	15 Å²	15	34.6 Å²	34.6	7%	0.066	19%	0.19	C	C	.	.			trans	-79.9	131.7	166	-73.8	-80.4	0	0	0	112.3	I419 F428 F430 V480 S487 F537	I419-F477 HydrophobicContact CD1-CE2 4.07Å; I419-F477 HydrophobicContact CD1-CZ 3.68Å; I419-F477 HydrophobicContact CG1-CE2 4.13Å; I419-F477 HydrophobicContact CG1-CZ 3.95Å; I419-F477 HydrophobicContact CG2-CE2 3.71Å; I419-F477 HydrophobicContact CG2-CZ 4.39Å; F428-F477 AromaticContact CD2-CD2 3.83Å; F428-F477 HydrophobicContact CD2-CD2 3.83Å; F428-F477 HydrophobicContact CD2-CE2 4.19Å; F428-F477 AromaticContact CE2-CD2 3.95Å; F428-F477 HydrophobicContact CE2-CD2 3.95Å; F428-F477 HydrophobicContact CE2-CE2 4.5Å; F430-F477 HydrophobicContact CB-CE1 4.3Å; F430-F477 HydrophobicContact CB-CE2 4.24Å; F430-F477 HydrophobicContact CB-CZ 3.77Å; F430-F477 AromaticContact CD1-CD1 3.71Å; F430-F477 HydrophobicContact CD1-CD1 3.71Å; F430-F477 HydrophobicContact CD1-CD2 4.26Å; F430-F477 AromaticContact CD1-CE1 3.51Å; F430-F477 HydrophobicContact CD1-CE1 3.51Å; F430-F477 HydrophobicContact CD1-CE2 4.07Å; F430-F477 HydrophobicContact CD1-CG 4.09Å; F430-F477 AromaticContact CD1-CZ 3.7Å; F430-F477 HydrophobicContact CD1-CZ 3.7Å; F430-F477 HydrophobicContact CE1-CD1 4.03Å; F430-F477 HydrophobicContact CE1-CE1 4.17Å; F430-F477 HydrophobicContact CE1-CG 4.48Å; F430-F477 HydrophobicContact CG-CE1 4.14Å; F430-F477 HydrophobicContact CG-CZ 4.1Å; F477-V480 HydrophobicContact CB-CB 4.12Å; F477-V480 HydrophobicContact CB-CG2 3.61Å; F477-V480 HydrophobicContact CG-CB 4.45Å; F477-V480 HydrophobicContact CG-CG1 4.37Å; F477-V480 HydrophobicContact CG-CG2 4.21Å; F477-S487 PolarHBondContact N-OG 3.19Å; F477-S487 PolarHBondContact O-N 2.87Å; F477-S487 VanDerWaalsContact O-N 3.08Å; F477-S487 PolarHBondContact O-OG 2.9Å; F477-S487 VanDerWaalsContact O-OG 3.09Å; F477-F537 HydrophobicContact CZ-CE2 4.45Å; F477-F537 HydrophobicContact CZ-CZ 4.48Å
478	E	86.9	Confident	90.3	Very high	79 Å²	79	34.9 Å²	34.9	37%	0.369	19%	0.19	S	C	.	.	S	Bend	trans	-145.1	87.6	-178	-62	-179.3	-166.4	0	0	111.5	K350 T486 Y488	K350-E478 VanDerWaalsContact CB-CD 3.44Å; K350-E478 WeakPolarHBondContact CB-OE1 3.03Å; K350-E478 WeakPolarHBondContact CB-OE2 3.46Å; K350-E478 HydrophobicContact CD-CG 4.07Å; E478-T486 HydrophobicContact CG-CG2 4.43Å; E478-Y488 HydrophobicContact CG-CE2 4.01Å; E478-Y488 VanDerWaalsContact OE1-CE2 3.3Å; E478-Y488 WeakPolarHBondContact OE1-CE2 3.4Å; E478-Y488 PolarHBondContact OE1-OH 2.99Å
479	P	86.6	Confident	90.5	Very high	80 Å²	80	34.8 Å²	34.8	52%	0.519	19%	0.19	S	C	.	.	S	Bend	cis	-79	174	-12.4	35.3	-35.6	0	0	0	112.4	T481	P479-T481 PolarHBondContact O-N 3.45Å
480	V	86.9	Confident	90.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-67.6	131.9	170.6	-172.2	0	0	0	0	109.4	F428 F477 G482 Y483 Y485 F537 P538	F428-V480 HydrophobicContact CE2-CG1 4.15Å; F428-V480 HydrophobicContact CE2-CG2 3.69Å; F428-V480 HydrophobicContact CZ-CG2 3.74Å; F477-V480 HydrophobicContact CB-CB 4.12Å; F477-V480 HydrophobicContact CB-CG2 3.61Å; F477-V480 HydrophobicContact CG-CB 4.45Å; F477-V480 HydrophobicContact CG-CG1 4.37Å; F477-V480 HydrophobicContact CG-CG2 4.21Å; V480-G482 PolarHBondContact O-N 2.81Å; V480-Y483 HydrophobicContact CB-CD2 4.03Å; V480-Y483 HydrophobicContact CG1-CD2 3.64Å; V480-Y483 HydrophobicContact CG1-CE2 4.24Å; V480-Y483 PolarHBondContact O-N 2.82Å; V480-Y483 VanDerWaalsContact O-O 3.12Å; V480-Y485 HydrophobicContact CB-CD2 4.33Å; V480-Y485 HydrophobicContact CB-CE2 4.09Å; V480-Y485 HydrophobicContact CG2-CD2 3.87Å; V480-Y485 HydrophobicContact CG2-CE2 3.84Å; V480-Y485 PolarHBondContact N-O 2.77Å; V480-F537 HydrophobicContact CG1-CE1 4.04Å; V480-F537 HydrophobicContact CG1-CZ 4.19Å; V480-P538 HydrophobicContact CG1-CB 4.45Å; V480-P538 HydrophobicContact CG1-CG 4.45Å
481	T	84.4	Confident	90.4	Very high	71 Å²	71	36 Å²	36	44%	0.436	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	124.4	-179.1	-53.4	0	0	0	0	111.5	P479 Y483 F537	P479-T481 PolarHBondContact O-N 3.45Å; T481-Y483 VanDerWaalsContact C-N 3.29Å; T481-Y483 VanDerWaalsContact O-CD2 3.31Å; T481-Y483 WeakPolarHBondContact O-CD2 3.22Å; T481-F537 WeakPolarHBondContact O-CE1 3.42Å
482	G	84	Confident	90.2	Very high	81 Å²	81	40.5 Å²	40.5	84%	0.835	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.4	0.5	-179.1	0	0	0	0	0	115	V480	V480-G482 PolarHBondContact O-N 2.81Å
483	Y	84.9	Confident	90.1	Very high	60 Å²	60	41.6 Å²	41.6	24%	0.235	22%	0.223	C	C	.	.	S	Bend	trans	-126	163.4	178.5	-57.6	-81.8	0	0	0	111.4	V480 T481 Y485 F537	V480-Y483 HydrophobicContact CB-CD2 4.03Å; V480-Y483 HydrophobicContact CG1-CD2 3.64Å; V480-Y483 HydrophobicContact CG1-CE2 4.24Å; V480-Y483 PolarHBondContact O-N 2.82Å; V480-Y483 VanDerWaalsContact O-O 3.12Å; T481-Y483 VanDerWaalsContact C-N 3.29Å; T481-Y483 VanDerWaalsContact O-CD2 3.31Å; T481-Y483 WeakPolarHBondContact O-CD2 3.22Å; Y483-Y485 VanDerWaalsContact CB-CZ 3.49Å; Y483-Y485 AromaticContact CD1-CE1 3.66Å; Y483-Y485 HydrophobicContact CD1-CE1 3.66Å; Y483-Y485 HydrophobicContact CD1-CE2 4.39Å; Y483-Y485 AromaticContact CD1-CZ 3.43Å; Y483-Y485 VanDerWaalsContact CD1-CZ 3.43Å; Y483-Y485 WeakPolarHBondContact CD1-OH 3.42Å; Y483-Y485 HydrophobicContact CD2-CE2 4.31Å; Y483-Y485 WeakPolarHBondContact CE1-OH 3.15Å; Y483-Y485 AromaticContact CG-CE1 3.89Å; Y483-Y485 HydrophobicContact CG-CE1 3.89Å; Y483-Y485 AromaticContact CG-CE2 3.92Å; Y483-Y485 HydrophobicContact CG-CE2 3.92Å; Y483-Y485 AromaticContact CG-CZ 3.39Å; Y483-F537 HydrophobicContact CE2-CD1 4.23Å; Y483-F537 HydrophobicContact CE2-CE1 4.05Å
484	K	86	Confident	90.1	Very high	181 Å²	181	41.9 Å²	41.9	79%	0.787	22%	0.224	S	C	*	.	S	Bend	trans	-94.8	-15.9	-179.3	-67.5	-179.3	-179.7	175.9	0	113.7
485	Y	89.6	Confident	90.2	Very high	16 Å²	16	44.4 Å²	44.4	6%	0.063	24%	0.236	C	C	.	.	S	Bend	trans	-89	159.7	177.9	48.3	-103.6	0	0	0	112	V480 Y483 T497 V498 Q507 F509	V480-Y485 HydrophobicContact CB-CD2 4.33Å; V480-Y485 HydrophobicContact CB-CE2 4.09Å; V480-Y485 HydrophobicContact CG2-CD2 3.87Å; V480-Y485 HydrophobicContact CG2-CE2 3.84Å; V480-Y485 PolarHBondContact N-O 2.77Å; Y483-Y485 VanDerWaalsContact CB-CZ 3.49Å; Y483-Y485 AromaticContact CD1-CE1 3.66Å; Y483-Y485 HydrophobicContact CD1-CE1 3.66Å; Y483-Y485 HydrophobicContact CD1-CE2 4.39Å; Y483-Y485 AromaticContact CD1-CZ 3.43Å; Y483-Y485 VanDerWaalsContact CD1-CZ 3.43Å; Y483-Y485 WeakPolarHBondContact CD1-OH 3.42Å; Y483-Y485 HydrophobicContact CD2-CE2 4.31Å; Y483-Y485 WeakPolarHBondContact CE1-OH 3.15Å; Y483-Y485 AromaticContact CG-CE1 3.89Å; Y483-Y485 HydrophobicContact CG-CE1 3.89Å; Y483-Y485 AromaticContact CG-CE2 3.92Å; Y483-Y485 HydrophobicContact CG-CE2 3.92Å; Y483-Y485 AromaticContact CG-CZ 3.39Å; Y485-T497 WeakPolarHBondContact CB-OG1 3.31Å; Y485-V498 HydrophobicContact CD1-CG2 4.38Å; Y485-Q507 VanDerWaalsContact CE2-NE2 3.31Å; Y485-Q507 PolarHBondContact OH-NE2 2.81Å; Y485-F509 HydrophobicContact CD1-CE2 4.25Å; Y485-F509 HydrophobicContact CD1-CZ 4.41Å; Y485-F509 HydrophobicContact CD2-CE2 4.44Å; Y485-F509 AromaticContact CD2-CZ 3.8Å; Y485-F509 HydrophobicContact CD2-CZ 3.8Å; Y485-F509 HydrophobicContact CE2-CZ 4.23Å; Y485-F509 HydrophobicContact CG-CE2 4.13Å; Y485-F509 AromaticContact CG-CZ 3.91Å; Y485-F509 HydrophobicContact CG-CZ 3.91Å
486	T	92.1	Very high	90.3	Very high	11 Å²	11	50 Å²	50	7%	0.067	27%	0.268	C	S	.	.			trans	-83.7	171.6	163.3	67	0	0	0	0	110.7	K350 E478 Y488 N494	K350-T486 HydrophobicContact CD-CG2 3.85Å; K350-T486 VanDerWaalsContact CE-CG2 3.46Å; E478-T486 HydrophobicContact CG-CG2 4.43Å; T486-Y488 VanDerWaalsContact C-N 3.29Å; T486-Y488 PolarHBondContact O-N 3.44Å; T486-N494 PolarHBondContact N-OD1 3.29Å; T486-N494 PolarHBondContact O-ND2 3.01Å; T486-N494 PolarHBondContact OG1-ND2 3.28Å; T486-N494 PolarHBondContact OG1-OD1 3.19Å
487	S	93.7	Very high	90.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-79.8	-4.3	-179.6	49.2	0	0	0	0	115.3	V427 F428 F477 C489	V427-S487 WeakPolarHBondContact CA-O 3.29Å; V427-S487 VanDerWaalsContact CG2-OG 3.24Å; V427-S487 WeakPolarHBondContact CG2-OG 3.39Å; F428-S487 WeakPolarHBondContact CD1-O 3.44Å; F428-S487 WeakPolarHBondContact CE1-O 2.91Å; F428-S487 WeakPolarHBondContact O-CB 3.45Å; F428-S487 PolarHBondContact O-OG 3.25Å; F477-S487 PolarHBondContact N-OG 3.19Å; F477-S487 PolarHBondContact O-N 2.87Å; F477-S487 VanDerWaalsContact O-N 3.08Å; F477-S487 PolarHBondContact O-OG 2.9Å; F477-S487 VanDerWaalsContact O-OG 3.09Å; S487-C489 PolarHBondContact O-N 3.13Å
488	Y	94.1	Very high	90.1	Very high	12 Å²	12	51.4 Å²	51.4	5%	0.047	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-76.6	115.2	-175.5	-65	-96.9	0	0	0	110.3	K350 D351 V427 P476 E478 T486 R490 H491 N494 F509	K350-Y488 HydrophobicContact CB-CE2 3.98Å; K350-Y488 HydrophobicContact CD-CD2 3.99Å; K350-Y488 HydrophobicContact CD-CE2 3.64Å; K350-Y488 HydrophobicContact CG-CE2 4.26Å; D351-Y488 HydrophobicContact CB-CE1 4.1Å; V427-Y488 HydrophobicContact CB-CD1 4.1Å; V427-Y488 HydrophobicContact CB-CG 4.46Å; V427-Y488 HydrophobicContact CG2-CD1 3.86Å; V427-Y488 HydrophobicContact CG2-CD2 4.22Å; V427-Y488 HydrophobicContact CG2-CE1 4.14Å; V427-Y488 HydrophobicContact CG2-CE2 4.47Å; V427-Y488 HydrophobicContact CG2-CG 3.91Å; P476-Y488 HydrophobicContact CB-CE1 4.39Å; P476-Y488 HydrophobicContact CB-CE2 3.69Å; P476-Y488 HydrophobicContact CG-CE1 4.18Å; P476-Y488 HydrophobicContact CG-CE2 4.31Å; P476-Y488 WeakPolarHBondContact CG-OH 3.49Å; E478-Y488 HydrophobicContact CG-CE2 4.01Å; E478-Y488 VanDerWaalsContact OE1-CE2 3.3Å; E478-Y488 WeakPolarHBondContact OE1-CE2 3.4Å; E478-Y488 PolarHBondContact OE1-OH 2.99Å; T486-Y488 VanDerWaalsContact C-N 3.29Å; T486-Y488 PolarHBondContact O-N 3.44Å; Y488-R490 VanDerWaalsContact C-N 3.3Å; Y488-R490 PolarHBondContact O-N 3.08Å; Y488-H491 WeakPolarHBondContact CB-CD2 3.32Å; Y488-H491 VanDerWaalsContact CB-CG 3.41Å; Y488-H491 WeakPolarHBondContact CB-NE2 3.41Å; Y488-H491 AromaticContact CD1-CE1 3.92Å; Y488-H491 AromaticContact CD1-NE2 3.6Å; Y488-H491 AromaticContact CD2-CE1 3.68Å; Y488-H491 AromaticContact CD2-ND1 4Å; Y488-H491 AromaticContact CG-CD2 3.91Å; Y488-H491 AromaticContact CG-CE1 3.47Å; Y488-H491 VanDerWaalsContact CG-CE1 3.47Å; Y488-H491 AromaticContact CG-ND1 3.89Å; Y488-H491 AromaticContact CG-NE2 3.46Å; Y488-H491 PolarHBondContact O-N 2.88Å; Y488-N494 PolarHBondContact O-ND2 3.04Å; Y488-N494 VanDerWaalsContact O-ND2 3.12Å; Y488-F509 VanDerWaalsContact O-CD1 3.3Å; Y488-F509 WeakPolarHBondContact O-CD1 3.45Å
489	C	95	Very high	90.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-29.6	-173.9	-60.8	0	0	0	0	112.8	D426 S487 F509 G510 S513 C542	D426-C489 HydrophobicContact CB-CB 4.42Å; D426-C489 VanDerWaalsContact O-CB 3.22Å; D426-C489 WeakPolarHBondContact O-CB 3.34Å; D426-C489 PolarHBondContact O-N 3.27Å; D426-C489 PolarHBondContact O-SG 2.81Å; S487-C489 PolarHBondContact O-N 3.13Å; C489-F509 VanDerWaalsContact O-CA 3.29Å; C489-F509 WeakPolarHBondContact O-CA 3.32Å; C489-G510 PolarHBondContact O-N 3.23Å; C489-S513 VanDerWaalsContact O-CB 3.23Å; C489-S513 WeakPolarHBondContact O-CB 3.24Å; C489-C542 WeakPolarHBondContact CA-SG 3.26Å; C489-C542 HydrophobicContact CB-CB 3.49Å; C489-C542 VanDerWaalsContact CB-CB 3.49Å; C489-C542 WeakPolarHBondContact CB-SG 3.39Å; C489-C542 VanDerWaalsContact SG-CA 3.51Å; C489-C542 WeakPolarHBondContact SG-CB 3.44Å; C489-C542 CovalentContact SG-SG 2.03Å; C489-C542 PolarHBondContact SG-SG 3.18Å
490	R	93.4	Very high	90	Very high	81 Å²	81	51.6 Å²	51.6	31%	0.306	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	3.1	-178.9	-60.4	-174.9	-176.9	-175.1	3.4	115.1	D426 Y488 I492 G510	D426-R490 HydrophobicContact CB-CG 4.17Å; D426-R490 IonicContact OD1-NH2 2.74Å; D426-R490 IonicContact OD2-CZ 3.7Å; D426-R490 IonicContact OD2-NE 2.77Å; D426-R490 PolarHBondContact OD2-NE 2.69Å; D426-R490 VanDerWaalsContact OD2-NE 3.1Å; D426-R490 IonicContact OD2-NH1 3.15Å; D426-R490 IonicContact OD2-NH2 3.24Å; D426-R490 PolarHBondContact OD2-NH2 2.81Å; Y488-R490 VanDerWaalsContact C-N 3.3Å; Y488-R490 PolarHBondContact O-N 3.08Å; R490-I492 PolarHBondContact O-N 2.94Å; R490-G510 VanDerWaalsContact CA-O 3.29Å; R490-G510 WeakPolarHBondContact CA-O 3.29Å
491	H	93	Very high	89.8	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	32%	0.315	C	S	.	.			trans	-81.9	94.4	176.5	-74.9	-157.2	0	0	0	109.1	R218 D351 Y488 E493 N494 F509	R218-H491 PolarHBondContact NH1-CD2 2.81Å; R218-H491 PolarHBondContact NH1-NE2 3.12Å; R218-H491 VanDerWaalsContact NH1-NE2 3.13Å; D351-H491 IonicContact OD1-CE1 2.65Å; D351-H491 PolarHBondContact OD1-CE1 2.72Å; D351-H491 VanDerWaalsContact OD1-CE1 3.23Å; D351-H491 IonicContact OD1-NE2 2.67Å; D351-H491 PolarHBondContact OD1-NE2 3.44Å; D351-H491 IonicContact OD2-CD2 2.99Å; D351-H491 IonicContact OD2-CE1 3.55Å; D351-H491 IonicContact OD2-NE2 3.92Å; D351-H491 PolarHBondContact OD2-NE2 3.03Å; Y488-H491 WeakPolarHBondContact CB-CD2 3.32Å; Y488-H491 VanDerWaalsContact CB-CG 3.41Å; Y488-H491 WeakPolarHBondContact CB-NE2 3.41Å; Y488-H491 AromaticContact CD1-CE1 3.92Å; Y488-H491 AromaticContact CD1-NE2 3.6Å; Y488-H491 AromaticContact CD2-CE1 3.68Å; Y488-H491 AromaticContact CD2-ND1 4Å; Y488-H491 AromaticContact CG-CD2 3.91Å; Y488-H491 AromaticContact CG-CE1 3.47Å; Y488-H491 VanDerWaalsContact CG-CE1 3.47Å; Y488-H491 AromaticContact CG-ND1 3.89Å; Y488-H491 AromaticContact CG-NE2 3.46Å; Y488-H491 PolarHBondContact O-N 2.88Å; H491-E493 WeakPolarHBondContact CA-OE2 3.42Å; H491-E493 HydrophobicContact CB-CG 4.15Å; H491-E493 IonicContact CG-OE1 3.53Å; H491-E493 IonicContact ND1-OE1 3.75Å; H491-E493 PolarHBondContact O-N 3.46Å; H491-E493 VanDerWaalsContact O-N 3.12Å; H491-N494 WeakPolarHBondContact CB-ND2 3Å; H491-N494 VanDerWaalsContact O-CB 3.3Å; H491-N494 WeakPolarHBondContact O-CB 3.28Å; H491-N494 PolarHBondContact O-N 2.81Å; H491-F509 WeakPolarHBondContact O-CB 2.99Å
492	I	92.9	Very high	89.8	Confident	95 Å²	95	58.8 Å²	58.8	49%	0.487	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-54.9	-30.6	-178.8	60.5	172.7	0	0	0	112.5	R490 N494 Q495 Q511	R490-I492 PolarHBondContact O-N 2.94Å; I492-N494 PolarHBondContact O-N 2.83Å; I492-Q495 WeakPolarHBondContact O-CB 3.4Å; I492-Q495 PolarHBondContact O-N 3.07Å; I492-Q511 HydrophobicContact CG2-CG 4.26Å
493	E	91.1	Very high	90.1	Very high	24 Å²	24	56 Å²	56	11%	0.112	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-63.4	-24.6	176.5	58.9	-96.4	-131.3	0	0	113.6	P214 R218 H491 Q495	P214-E493 HydrophobicContact CB-CB 4.11Å; R218-E493 IonicContact CZ-OE1 2.68Å; R218-E493 IonicContact CZ-OE2 3.4Å; R218-E493 IonicContact NE-OE1 2.79Å; R218-E493 PolarHBondContact NE-OE1 3.17Å; R218-E493 VanDerWaalsContact NE-OE1 3.16Å; R218-E493 IonicContact NH2-OE1 3.57Å; R218-E493 PolarHBondContact NH2-OE1 2.94Å; R218-E493 IonicContact NH2-OE2 3.44Å; R218-E493 PolarHBondContact NH2-OE2 2.81Å; H491-E493 WeakPolarHBondContact CA-OE2 3.42Å; H491-E493 HydrophobicContact CB-CG 4.15Å; H491-E493 IonicContact CG-OE1 3.53Å; H491-E493 IonicContact ND1-OE1 3.75Å; H491-E493 PolarHBondContact O-N 3.46Å; H491-E493 VanDerWaalsContact O-N 3.12Å; E493-Q495 PolarHBondContact O-N 2.69Å
494	N	93.3	Very high	90.4	Very high	9 Å²	9	55.8 Å²	55.8	5%	0.048	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-66.8	-29.3	174.7	-76.4	-26.8	0	0	0	110.9	T486 Y488 H491 I492 D496 T497 V498 F509	T486-N494 PolarHBondContact N-OD1 3.29Å; T486-N494 PolarHBondContact O-ND2 3.01Å; T486-N494 PolarHBondContact OG1-ND2 3.28Å; T486-N494 PolarHBondContact OG1-OD1 3.19Å; Y488-N494 PolarHBondContact O-ND2 3.04Å; Y488-N494 VanDerWaalsContact O-ND2 3.12Å; H491-N494 WeakPolarHBondContact CB-ND2 3Å; H491-N494 VanDerWaalsContact O-CB 3.3Å; H491-N494 WeakPolarHBondContact O-CB 3.28Å; H491-N494 PolarHBondContact O-N 2.81Å; I492-N494 PolarHBondContact O-N 2.83Å; N494-D496 VanDerWaalsContact C-N 3.28Å; N494-D496 PolarHBondContact O-N 2.87Å; N494-T497 PolarHBondContact O-N 3.11Å; N494-T497 PolarHBondContact O-OG1 3.18Å; N494-V498 PolarHBondContact O-N 2.03Å; N494-F509 HydrophobicContact CB-CB 3.87Å; N494-F509 HydrophobicContact CB-CD1 3.57Å; N494-F509 HydrophobicContact CB-CD2 3.77Å; N494-F509 HydrophobicContact CB-CE1 3.98Å; N494-F509 HydrophobicContact CB-CE2 4.16Å; N494-F509 HydrophobicContact CB-CG 3.45Å; N494-F509 VanDerWaalsContact CB-CG 3.45Å; N494-F509 HydrophobicContact CB-CZ 4.26Å
495	Q	94	Very high	90.6	Very high	65 Å²	65	47.8 Å²	47.8	30%	0.304	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-61.8	-35.8	-178.2	-170.5	56.9	40.4	0	0	112.2	I492 E493 T497 V498 F509	I492-Q495 WeakPolarHBondContact O-CB 3.4Å; I492-Q495 PolarHBondContact O-N 3.07Å; E493-Q495 PolarHBondContact O-N 2.69Å; Q495-T497 PolarHBondContact O-N 2.94Å; Q495-V498 PolarHBondContact O-N 2.91Å; Q495-F509 HydrophobicContact CB-CB 4.17Å
496	D	91.2	Very high	90.8	Very high	141 Å²	141	47.3 Å²	47.3	75%	0.754	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-67.4	-17.3	178.1	-66.5	-25	0	0	0	112.9	N494	N494-D496 VanDerWaalsContact C-N 3.28Å; N494-D496 PolarHBondContact O-N 2.87Å
497	T	89.3	Confident	90.9	Very high	58 Å²	58	47 Å²	47	36%	0.356	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-96.3	-10.5	179.7	75.6	0	0	0	0	113.5	Y485 N494 Q495 D499	Y485-T497 WeakPolarHBondContact CB-OG1 3.31Å; N494-T497 PolarHBondContact O-N 3.11Å; N494-T497 PolarHBondContact O-OG1 3.18Å; Q495-T497 PolarHBondContact O-N 2.94Å; T497-D499 PolarHBondContact O-N 3.11Å
498	V	89.5	Confident	91	Very high	14 Å²	14	50.4 Å²	50.4	9%	0.085	26%	0.255	C	S	.	.			trans	-75.5	120.8	177.5	176.9	0	0	0	0	108.9	Y485 N494 Q495 P500 N503 F509	Y485-V498 HydrophobicContact CD1-CG2 4.38Å; N494-V498 PolarHBondContact O-N 2.03Å; Q495-V498 PolarHBondContact O-N 2.91Å; V498-P500 VanDerWaalsContact O-CD 3.27Å; V498-P500 WeakPolarHBondContact O-CD 3.48Å; V498-N503 HydrophobicContact CG1-CB 3.86Å; V498-F509 HydrophobicContact CG2-CD2 3.7Å; V498-F509 HydrophobicContact CG2-CE2 3.63Å
499	D	87.5	Confident	91.1	Very high	73 Å²	73	50 Å²	50	39%	0.39	25%	0.253	S	S	.	.			trans	-77.8	114	170.7	179.3	-7.9	0	0	0	109.6	T497 Q501 N502 N503	T497-D499 PolarHBondContact O-N 3.11Å; D499-Q501 PolarHBondContact O-N 2.86Å; D499-Q501 VanDerWaalsContact O-N 3.14Å; D499-Q501 WeakPolarHBondContact OD1-CB 3.31Å; D499-Q501 PolarHBondContact OD1-N 2.88Å; D499-N502 HydrophobicContact CB-CB 4.14Å; D499-N502 CarbonylContact O-C 3.5Å; D499-N502 PolarHBondContact O-N 2.59Å; D499-N502 PolarHBondContact OD2-ND2 3.08Å; D499-N503 PolarHBondContact O-N 3Å
500	P	84.2	Confident	91.1	Very high	91 Å²	91	50.1 Å²	50.1	59%	0.591	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.9	-179	-21.8	34.2	0	0	0	113.7	V498	V498-P500 VanDerWaalsContact O-CD 3.27Å; V498-P500 WeakPolarHBondContact O-CD 3.48Å
501	Q	83.3	Confident	91	Very high	151 Å²	151	53.6 Å²	53.6	71%	0.706	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-21.2	178.1	-58.5	-173.6	3.7	0	0	112.4	D499	D499-Q501 PolarHBondContact O-N 2.86Å; D499-Q501 VanDerWaalsContact O-N 3.14Å; D499-Q501 WeakPolarHBondContact OD1-CB 3.31Å; D499-Q501 PolarHBondContact OD1-N 2.88Å
502	N	83.9	Confident	91.1	Very high	70 Å²	70	55.9 Å²	55.9	37%	0.374	29%	0.287	S	S	.	.	S	Bend	trans	-125.9	26.1	-174.8	-66.8	-58.3	0	0	0	112.6	D499 Y504	D499-N502 HydrophobicContact CB-CB 4.14Å; D499-N502 CarbonylContact O-C 3.5Å; D499-N502 PolarHBondContact O-N 2.59Å; D499-N502 PolarHBondContact OD2-ND2 3.08Å; N502-Y504 HydrophobicContact CB-CE2 4.02Å; N502-Y504 WeakPolarHBondContact O-CD2 3.41Å; N502-Y504 WeakPolarHBondContact O-CE2 3.48Å; N502-Y504 PolarHBondContact O-N 2.61Å; N502-Y504 PolarHBondContact OD1-OH 2.54Å; N502-Y504 VanDerWaalsContact OD1-OH 3.13Å
503	N	90.3	Very high	91.2	Very high	24 Å²	24	51.4 Å²	51.4	13%	0.128	26%	0.263	C	S	.	.			trans	-80.7	66.2	177.6	-169.6	9.5	0	0	0	111	V498 D499 A505 L506 Q507 I578	V498-N503 HydrophobicContact CG1-CB 3.86Å; D499-N503 PolarHBondContact O-N 3Å; N503-A505 PolarHBondContact O-N 2.91Å; N503-A505 VanDerWaalsContact O-N 3.13Å; N503-L506 WeakPolarHBondContact O-CA 3.34Å; N503-L506 PolarHBondContact O-N 3.09Å; N503-Q507 VanDerWaalsContact CG-N 3.32Å; N503-Q507 PolarHBondContact ND2-N 2.01Å; N503-Q507 VanDerWaalsContact ND2-N 3.14Å; N503-Q507 PolarHBondContact ND2-O 2.76Å; N503-Q507 PolarHBondContact OD1-N 3.1Å; N503-I578 HydrophobicContact CB-CD1 4.24Å
504	Y	90.4	Very high	91.3	Very high	54 Å²	54	50.4 Å²	50.4	21%	0.212	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.4	-167.4	-57.2	-72.1	0	0	0	114.7	N502 S526 V528 I535 V580	N502-Y504 HydrophobicContact CB-CE2 4.02Å; N502-Y504 WeakPolarHBondContact O-CD2 3.41Å; N502-Y504 WeakPolarHBondContact O-CE2 3.48Å; N502-Y504 PolarHBondContact O-N 2.61Å; N502-Y504 PolarHBondContact OD1-OH 2.54Å; N502-Y504 VanDerWaalsContact OD1-OH 3.13Å; Y504-S526 VanDerWaalsContact O-CB 3.31Å; Y504-S526 WeakPolarHBondContact O-CB 3.26Å; Y504-S526 PolarHBondContact O-OG 2.82Å; Y504-V528 HydrophobicContact CD1-CG2 3.61Å; Y504-V528 HydrophobicContact CE1-CG2 3.72Å; Y504-I535 WeakPolarHBondContact O-CD1 3.31Å; Y504-V580 WeakPolarHBondContact O-CG2 3.21Å
505	A	91.7	Very high	91.3	Very high	13 Å²	13	50.3 Å²	50.3	11%	0.107	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	9.2	176.4	0	0	0	0	0	112.6	N503 Q507 I535 H543	N503-A505 PolarHBondContact O-N 2.91Å; N503-A505 VanDerWaalsContact O-N 3.13Å; A505-Q507 HydrophobicContact CB-CG 3.93Å; A505-Q507 PolarHBondContact O-N 3.5Å; A505-I535 HydrophobicContact CB-CD1 4.09Å; A505-H543 PolarHBondContact O-CE1 3.12Å
506	L	93.8	Very high	91.3	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.031	25%	0.245	C	C	.	.			trans	50.3	41.4	-174	-63.3	176.2	0	0	0	112.8	N503 H543 V556 A573 D575 I578 V580	N503-L506 WeakPolarHBondContact O-CA 3.34Å; N503-L506 PolarHBondContact O-N 3.09Å; L506-H543 PolarHBondContact O-CE1 3.3Å; L506-H543 PolarHBondContact O-ND1 3.02Å; L506-V556 HydrophobicContact CB-CG1 4.12Å; L506-V556 HydrophobicContact CD1-CG1 4.18Å; L506-A573 HydrophobicContact CD1-CB 3.88Å; L506-D575 HydrophobicContact CD2-CB 3.64Å; L506-I578 HydrophobicContact CD2-CB 4.02Å; L506-I578 HydrophobicContact CD2-CD1 4.41Å; L506-I578 HydrophobicContact CD2-CG2 3.84Å; L506-I578 HydrophobicContact CG-CG2 4.24Å; L506-V580 HydrophobicContact CB-CG2 4.5Å; L506-V580 HydrophobicContact CD1-CB 4.08Å; L506-V580 HydrophobicContact CD1-CG2 3.74Å; L506-V580 HydrophobicContact CG-CB 4.43Å; L506-V580 HydrophobicContact CG-CG2 3.63Å
507	Q	93.7	Very high	91.3	Very high	5 Å²	5	42.4 Å²	42.4	2%	0.023	22%	0.219	C	C	.	.			trans	-64.7	143.7	-177.6	-63	-146.2	82.5	0	0	112.3	Y485 N503 A505 F509 C542	Y485-Q507 VanDerWaalsContact CE2-NE2 3.31Å; Y485-Q507 PolarHBondContact OH-NE2 2.81Å; N503-Q507 VanDerWaalsContact CG-N 3.32Å; N503-Q507 PolarHBondContact ND2-N 2.01Å; N503-Q507 VanDerWaalsContact ND2-N 3.14Å; N503-Q507 PolarHBondContact ND2-O 2.76Å; N503-Q507 PolarHBondContact OD1-N 3.1Å; A505-Q507 HydrophobicContact CB-CG 3.93Å; A505-Q507 PolarHBondContact O-N 3.5Å; Q507-F509 HydrophobicContact CB-CE2 3.99Å; Q507-F509 HydrophobicContact CB-CZ 4.47Å; Q507-C542 CarbonylContact C-O 3.53Å; Q507-C542 VanDerWaalsContact CA-O 3.31Å; Q507-C542 WeakPolarHBondContact CA-O 3.32Å
508	Y	95.8	Very high	91.4	Very high	71 Å²	71	40.1 Å²	40.1	28%	0.278	20%	0.204	S	C	.	.			trans	-132.3	129.7	172.5	173.4	-100.5	0	0	0	109.8	D512 S513 C542 K544	Y508-D512 VanDerWaalsContact CE1-OD1 3.31Å; Y508-D512 WeakPolarHBondContact CE1-OD1 2.93Å; Y508-D512 PolarHBondContact OH-OD1 2.91Å; Y508-D512 VanDerWaalsContact OH-OD1 3.06Å; Y508-S513 PolarHBondContact O-OG 3.4Å; Y508-C542 PolarHBondContact N-O 3.32Å; Y508-C542 CarbonylContact O-C 3.54Å; Y508-C542 WeakPolarHBondContact O-CB 3.42Å; Y508-K544 HydrophobicContact CD1-CB 3.48Å; Y508-K544 VanDerWaalsContact CD1-CB 3.48Å; Y508-K544 HydrophobicContact CD1-CG 4.25Å; Y508-K544 HydrophobicContact CE1-CB 3.74Å; Y508-K544 HydrophobicContact CE1-CD 4.19Å; Y508-K544 HydrophobicContact CE1-CG 3.98Å; Y508-K544 HydrophobicContact CG-CB 4.11Å
509	F	95.8	Very high	91.1	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.013	21%	0.207	C	C	.	.			trans	-113	126.1	174.7	-60.4	-87.5	0	0	0	109.8	Y485 Y488 C489 H491 N494 Q495 V498 Q507 C542	Y485-F509 HydrophobicContact CD1-CE2 4.25Å; Y485-F509 HydrophobicContact CD1-CZ 4.41Å; Y485-F509 HydrophobicContact CD2-CE2 4.44Å; Y485-F509 AromaticContact CD2-CZ 3.8Å; Y485-F509 HydrophobicContact CD2-CZ 3.8Å; Y485-F509 HydrophobicContact CE2-CZ 4.23Å; Y485-F509 HydrophobicContact CG-CE2 4.13Å; Y485-F509 AromaticContact CG-CZ 3.91Å; Y485-F509 HydrophobicContact CG-CZ 3.91Å; Y488-F509 VanDerWaalsContact O-CD1 3.3Å; Y488-F509 WeakPolarHBondContact O-CD1 3.45Å; C489-F509 VanDerWaalsContact O-CA 3.29Å; C489-F509 WeakPolarHBondContact O-CA 3.32Å; H491-F509 WeakPolarHBondContact O-CB 2.99Å; N494-F509 HydrophobicContact CB-CB 3.87Å; N494-F509 HydrophobicContact CB-CD1 3.57Å; N494-F509 HydrophobicContact CB-CD2 3.77Å; N494-F509 HydrophobicContact CB-CE1 3.98Å; N494-F509 HydrophobicContact CB-CE2 4.16Å; N494-F509 HydrophobicContact CB-CG 3.45Å; N494-F509 VanDerWaalsContact CB-CG 3.45Å; N494-F509 HydrophobicContact CB-CZ 4.26Å; Q495-F509 HydrophobicContact CB-CB 4.17Å; V498-F509 HydrophobicContact CG2-CD2 3.7Å; V498-F509 HydrophobicContact CG2-CE2 3.63Å; Q507-F509 HydrophobicContact CB-CE2 3.99Å; Q507-F509 HydrophobicContact CB-CZ 4.47Å; F509-C542 HydrophobicContact CD1-CB 4.16Å; F509-C542 HydrophobicContact CE1-CB 3.96Å; F509-C542 VanDerWaalsContact CE1-SG 3.6Å; F509-C542 HydrophobicContact CZ-CB 4.43Å
510	G	95	Very high	90.8	Very high	3 Å²	3	42.3 Å²	42.3	3%	0.031	22%	0.219	C	C	.	.	S	Bend	trans	-175.5	156.6	-168.1	0	0	0	0	0	111.5	C489 R490 D512 S513	C489-G510 PolarHBondContact O-N 3.23Å; R490-G510 VanDerWaalsContact CA-O 3.29Å; R490-G510 WeakPolarHBondContact CA-O 3.29Å; G510-D512 PolarHBondContact O-N 2.84Å; G510-D512 VanDerWaalsContact O-N 3.11Å; G510-S513 WeakPolarHBondContact O-CB 3.22Å; G510-S513 PolarHBondContact O-N 2.79Å
511	Q	92.2	Very high	90.8	Very high	154 Å²	154	47.7 Å²	47.7	72%	0.72	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.5	175.9	-70.6	-176	-10.7	0	0	112.6	I492	I492-Q511 HydrophobicContact CG2-CG 4.26Å
512	D	93.4	Very high	90.8	Very high	50 Å²	50	42.1 Å²	42.1	27%	0.267	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	27.4	175.9	58.1	-19.8	0	0	0	112.8	Y508 G510 K544 Y545	Y508-D512 VanDerWaalsContact CE1-OD1 3.31Å; Y508-D512 WeakPolarHBondContact CE1-OD1 2.93Å; Y508-D512 PolarHBondContact OH-OD1 2.91Å; Y508-D512 VanDerWaalsContact OH-OD1 3.06Å; G510-D512 PolarHBondContact O-N 2.84Å; G510-D512 VanDerWaalsContact O-N 3.11Å; D512-K544 WeakPolarHBondContact O-CA 3.46Å; D512-K544 WeakPolarHBondContact OD2-CE 3.29Å; D512-K544 IonicContact OD2-NZ 2.93Å; D512-K544 PolarHBondContact OD2-NZ 2.94Å; D512-Y545 WeakPolarHBondContact O-CD1 3.37Å; D512-Y545 PolarHBondContact O-N 2.84Å
513	S	95.2	Very high	90.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	144.8	174.2	-169.6	0	0	0	0	111.9	C489 Y508 G510 H543	C489-S513 VanDerWaalsContact O-CB 3.23Å; C489-S513 WeakPolarHBondContact O-CB 3.24Å; Y508-S513 PolarHBondContact O-OG 3.4Å; G510-S513 WeakPolarHBondContact O-CB 3.22Å; G510-S513 PolarHBondContact O-N 2.79Å; S513-H543 CarbonylContact C-O 3.54Å; S513-H543 VanDerWaalsContact CA-O 3.27Å; S513-H543 WeakPolarHBondContact CA-O 2.91Å; S513-H543 PolarHBondContact OG-N 3.45Å; S513-H543 PolarHBondContact OG-O 2.88Å
514	V	93.5	Very high	90.6	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.6	177.9	67	0	0	0	0	109.9	V516 C542 H543 Y545 L554 P587	V514-V516 HydrophobicContact CG1-CG1 4.27Å; V514-C542 WeakPolarHBondContact O-CA 3.4Å; V514-H543 PolarHBondContact N-O 3.29Å; V514-H543 PolarHBondContact O-N 3.33Å; V514-Y545 HydrophobicContact CB-CD1 3.65Å; V514-Y545 HydrophobicContact CB-CE1 4Å; V514-Y545 HydrophobicContact CB-CG 4.18Å; V514-Y545 HydrophobicContact CG1-CD1 3.78Å; V514-Y545 HydrophobicContact CG1-CG 3.94Å; V514-L554 HydrophobicContact CG1-CD1 4.07Å; V514-P587 HydrophobicContact CG1-CG 4.5Å; V514-P587 HydrophobicContact CG2-CB 4.23Å; V514-P587 HydrophobicContact CG2-CG 3.93Å
515	C	94.4	Very high	90.7	Very high	7 Å²	7	39.9 Å²	39.9	5%	0.047	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	132.9	172	-172.5	0	0	0	0	110.8	C421	C421-C515 WeakPolarHBondContact CA-SG 3.43Å; C421-C515 HydrophobicContact CB-CB 3.74Å; C421-C515 WeakPolarHBondContact CB-SG 3.4Å; C421-C515 WeakPolarHBondContact SG-CB 3.34Å; C421-C515 CovalentContact SG-SG 2.04Å; C421-C515 PolarHBondContact SG-SG 3.09Å
516	V	93.1	Very high	90.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.1	172.5	-51.2	0	0	0	0	111.3	C421 V514 W524 A540 S541 H543 L554 V584 P587	C421-V516 PolarHBondContact SG-N 2.73Å; V514-V516 HydrophobicContact CG1-CG1 4.27Å; V516-W524 HydrophobicContact CG2-CH2 4.47Å; V516-A540 CarbonylContact O-C 3.6Å; V516-A540 WeakPolarHBondContact O-CA 3.43Å; V516-A540 WeakPolarHBondContact O-CB 3.48Å; V516-S541 PolarHBondContact N-O 3.22Å; V516-S541 PolarHBondContact O-N 2.78Å; V516-H543 VanDerWaalsContact CG2-CD2 3.45Å; V516-H543 WeakPolarHBondContact CG2-CD2 3.42Å; V516-L554 HydrophobicContact CG1-CD1 3.78Å; V516-L554 HydrophobicContact CG1-CD2 4.08Å; V516-V584 HydrophobicContact CB-CG2 3.57Å; V516-V584 HydrophobicContact CG1-CG2 4.22Å; V516-V584 HydrophobicContact CG2-CG2 3.64Å; V516-P587 HydrophobicContact CG1-CG 4.46Å
517	N	91.8	Very high	90.8	Very high	39 Å²	39	41.2 Å²	41.2	21%	0.209	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	141.3	173.1	-69.6	-56.8	0	0	0	110	K420 C421 L585	K420-N517 WeakPolarHBondContact CA-OD1 3.36Å; K420-N517 WeakPolarHBondContact CB-OD1 3.12Å; C421-N517 PolarHBondContact N-OD1 3.12Å; N517-L585 HydrophobicContact CB-CB 4.13Å; N517-L585 HydrophobicContact CB-CD2 4.42Å; N517-L585 PolarHBondContact O-N 3.28Å
518	H	90.9	Very high	90.6	Very high	11 Å²	11	42.3 Å²	42.3	5%	0.051	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.6	167.3	-55.1	167.4	0	0	0	108.1	T520 W524 Y539 S541	H518-T520 PolarHBondContact O-N 3.28Å; H518-W524 HydrophobicContact CB-CG 4.33Å; H518-W524 AromaticContact CD2-CD1 3.95Å; H518-W524 AromaticContact CD2-CD2 3.58Å; H518-W524 AromaticContact CD2-CE2 3.26Å; H518-W524 AromaticContact CD2-CZ2 3.52Å; H518-W524 AromaticContact CD2-NE1 3.52Å; H518-W524 AromaticContact CE1-CD2 3.76Å; H518-W524 AromaticContact CE1-CE3 3.82Å; H518-W524 AromaticContact CG-CD1 3.67Å; H518-W524 AromaticContact CG-CD2 3.89Å; H518-W524 AromaticContact CG-CE2 3.81Å; H518-W524 AromaticContact CG-CG 3.83Å; H518-W524 AromaticContact CG-NE1 3.66Å; H518-W524 AromaticContact ND1-CG 3.86Å; H518-W524 AromaticContact NE2-CD2 3.49Å; H518-W524 AromaticContact NE2-CE2 3.59Å; H518-W524 AromaticContact NE2-CE3 3.52Å; H518-W524 AromaticContact NE2-CH2 3.8Å; H518-W524 AromaticContact NE2-CZ2 3.74Å; H518-W524 AromaticContact NE2-CZ3 3.69Å; H518-Y539 WeakPolarHBondContact CB-O 3.37Å; H518-Y539 PolarHBondContact N-O 2.96Å; H518-S541 PolarHBondContact NE2-OG 2.68Å
519	D	84.4	Confident	90.2	Very high	25 Å²	25	41.6 Å²	41.6	13%	0.134	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-74.8	124.3	176.7	-173.3	-19.9	0	0	0	109.9	Y521 A522 S568 L583	D519-Y521 PolarHBondContact O-N 2.94Å; D519-Y521 VanDerWaalsContact O-N 3.12Å; D519-Y521 WeakPolarHBondContact OD1-CB 3.38Å; D519-Y521 WeakPolarHBondContact OD1-CD2 3.4Å; D519-Y521 PolarHBondContact OD1-N 2.82Å; D519-A522 CarbonylContact O-C 3.57Å; D519-A522 PolarHBondContact O-N 2.99Å; D519-A522 VanDerWaalsContact O-N 3.15Å; D519-S568 VanDerWaalsContact OD2-CB 3.31Å; D519-S568 WeakPolarHBondContact OD2-CB 3.43Å; D519-S568 PolarHBondContact OD2-OG 2.91Å; D519-L583 HydrophobicContact CB-CB 3.59Å; D519-L583 HydrophobicContact CB-CD1 4.49Å; D519-L583 PolarHBondContact N-O 3.1Å
520	T	80.4	Confident	89.7	Confident	107 Å²	107	44.6 Å²	44.6	66%	0.656	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.6	179.4	56.4	0	0	0	0	114.3	H518 A522	H518-T520 PolarHBondContact O-N 3.28Å; T520-A522 VanDerWaalsContact C-N 3.3Å; T520-A522 PolarHBondContact O-N 3.16Å
521	Y	83.4	Confident	89.4	Confident	204 Å²	204	52.3 Å²	52.3	80%	0.8	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.7	175.3	-73.4	-63.3	0	0	0	113.1	D519	D519-Y521 PolarHBondContact O-N 2.94Å; D519-Y521 VanDerWaalsContact O-N 3.12Å; D519-Y521 WeakPolarHBondContact OD1-CB 3.38Å; D519-Y521 WeakPolarHBondContact OD1-CD2 3.4Å; D519-Y521 PolarHBondContact OD1-N 2.82Å
522	A	84.5	Confident	89.3	Confident	34 Å²	34	52.4 Å²	52.4	28%	0.281	29%	0.289	S	S	.	.	S	Bend	trans	-141.7	90.8	172.6	0	0	0	0	0	109.6	D519 T520 L583	D519-A522 CarbonylContact O-C 3.57Å; D519-A522 PolarHBondContact O-N 2.99Å; D519-A522 VanDerWaalsContact O-N 3.15Å; T520-A522 VanDerWaalsContact C-N 3.3Å; T520-A522 PolarHBondContact O-N 3.16Å; A522-L583 HydrophobicContact CB-CB 4.15Å; A522-L583 HydrophobicContact CB-CD1 3.55Å; A522-L583 HydrophobicContact CB-CG 3.65Å; A522-L583 PolarHBondContact O-N 2.95Å
523	P	79.8	Confident	89.1	Confident	61 Å²	61	54.6 Å²	54.6	40%	0.396	29%	0.294	S	S	.	.			trans	-56.2	149.5	178.5	-21.6	31.2	0	0	0	111.7	S536	P523-S536 VanDerWaalsContact CB-OG 3.24Å; P523-S536 WeakPolarHBondContact CB-OG 2.99Å
524	W	90.7	Very high	88.6	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.316	C	S	.	.			trans	-72.1	140.7	-178	-77	33.5	0	0	0	111.2	V516 H518 I535 H543 I571 V580 R581 L583 V584	V516-W524 HydrophobicContact CG2-CH2 4.47Å; H518-W524 HydrophobicContact CB-CG 4.33Å; H518-W524 AromaticContact CD2-CD1 3.95Å; H518-W524 AromaticContact CD2-CD2 3.58Å; H518-W524 AromaticContact CD2-CE2 3.26Å; H518-W524 AromaticContact CD2-CZ2 3.52Å; H518-W524 AromaticContact CD2-NE1 3.52Å; H518-W524 AromaticContact CE1-CD2 3.76Å; H518-W524 AromaticContact CE1-CE3 3.82Å; H518-W524 AromaticContact CG-CD1 3.67Å; H518-W524 AromaticContact CG-CD2 3.89Å; H518-W524 AromaticContact CG-CE2 3.81Å; H518-W524 AromaticContact CG-CG 3.83Å; H518-W524 AromaticContact CG-NE1 3.66Å; H518-W524 AromaticContact ND1-CG 3.86Å; H518-W524 AromaticContact NE2-CD2 3.49Å; H518-W524 AromaticContact NE2-CE2 3.59Å; H518-W524 AromaticContact NE2-CE3 3.52Å; H518-W524 AromaticContact NE2-CH2 3.8Å; H518-W524 AromaticContact NE2-CZ2 3.74Å; H518-W524 AromaticContact NE2-CZ3 3.69Å; W524-I535 HydrophobicContact CB-CD1 3.61Å; W524-I535 HydrophobicContact CB-CG1 3.47Å; W524-I535 VanDerWaalsContact CB-CG1 3.47Å; W524-I535 HydrophobicContact CE3-CD1 3.93Å; W524-I535 WeakPolarHBondContact O-CG1 3.45Å; W524-I535 PolarHBondContact O-N 2.83Å; W524-H543 AromaticContact CH2-NE2 3.57Å; W524-H543 AromaticContact CZ3-NE2 3.85Å; W524-I571 HydrophobicContact CD2-CD1 4.08Å; W524-I571 HydrophobicContact CE3-CD1 4.1Å; W524-I571 HydrophobicContact CH2-CD1 3.3Å; W524-I571 HydrophobicContact CZ2-CD1 3.27Å; W524-I571 HydrophobicContact CZ2-CG1 4.1Å; W524-I571 HydrophobicContact CZ3-CD1 3.73Å; W524-V580 HydrophobicContact CD2-CG1 4.11Å; W524-V580 HydrophobicContact CE3-CG1 3.36Å; W524-V580 HydrophobicContact CZ3-CG1 3.77Å; W524-R581 CarbonylContact C-O 3.54Å; W524-R581 VanDerWaalsContact CA-O 3.29Å; W524-R581 WeakPolarHBondContact CA-O 3.37Å; W524-L583 PolarHBondContact NE1-O 2.84Å; W524-V584 HydrophobicContact CZ2-CB 4.14Å; W524-V584 HydrophobicContact CZ2-CG2 4.28Å
525	I	92.6	Very high	88.1	Confident	41 Å²	41	58.9 Å²	58.9	21%	0.21	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.3	173.4	63.8	169.7	0	0	0	109.2	Y532 R533 V580 R581	I525-Y532 HydrophobicContact CB-CE2 3.86Å; I525-Y532 HydrophobicContact CD1-CE2 4.01Å; I525-Y532 HydrophobicContact CG2-CE2 3.68Å; I525-Y532 VanDerWaalsContact CG2-OH 3.26Å; I525-Y532 WeakPolarHBondContact CG2-OH 3.39Å; I525-R533 WeakPolarHBondContact CA-O 3.32Å; I525-V580 WeakPolarHBondContact O-CA 3.24Å; I525-R581 HydrophobicContact CD1-CB 4.32Å; I525-R581 HydrophobicContact CG1-CB 3.91Å; I525-R581 PolarHBondContact N-O 2.96Å; I525-R581 PolarHBondContact O-N 3.28Å
526	S	93.2	Very high	87.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.6	174.3	178.3	0	0	0	0	109.5	Y504 R533 N579	Y504-S526 VanDerWaalsContact O-CB 3.31Å; Y504-S526 WeakPolarHBondContact O-CB 3.26Å; Y504-S526 PolarHBondContact O-OG 2.82Å; S526-R533 PolarHBondContact N-O 3.19Å; S526-R533 PolarHBondContact O-N 3.31Å; S526-N579 CarbonylContact C-O 3.58Å; S526-N579 WeakPolarHBondContact CA-O 3.33Å
527	I	92.7	Very high	86.6	Confident	46 Å²	46	62.9 Å²	62.9	24%	0.236	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	112.5	173.6	-58.1	168.9	0	0	0	107.3	F531 I578 N579	I527-F531 VanDerWaalsContact CA-O 3.3Å; I527-F531 WeakPolarHBondContact CA-O 3.5Å; I527-I578 WeakPolarHBondContact O-CA 3.31Å; I527-N579 HydrophobicContact CB-CB 4.35Å; I527-N579 PolarHBondContact N-O 2.98Å; I527-N579 PolarHBondContact O-N 3.28Å
528	V	90.3	Very high	85.9	Confident	28 Å²	28	61.2 Å²	61.2	17%	0.17	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114.7	179.9	-173.9	0	0	0	0	109.1	Y504 G530 F531 N577 I578	Y504-V528 HydrophobicContact CD1-CG2 3.61Å; Y504-V528 HydrophobicContact CE1-CG2 3.72Å; V528-G530 PolarHBondContact O-N 3.4Å; V528-G530 VanDerWaalsContact O-N 3.08Å; V528-F531 PolarHBondContact N-O 2.8Å; V528-F531 WeakPolarHBondContact O-CD2 3.34Å; V528-F531 PolarHBondContact O-N 3.4Å; V528-N577 WeakPolarHBondContact CA-O 3.49Å; V528-I578 HydrophobicContact CG1-CG1 4.26Å; V528-I578 HydrophobicContact CG2-CG1 4.06Å; V528-I578 HydrophobicContact CG2-CG2 4.28Å
529	G	87.1	Confident	85.8	Confident	56 Å²	56	63.8 Å²	63.8	58%	0.577	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	28	-178.1	0	0	0	0	0	114	N577	G529-N577 PolarHBondContact N-O 2.58Å
530	G	84.8	Confident	86.2	Confident	66 Å²	66	62.6 Å²	62.6	68%	0.68	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	-8.5	-176.4	0	0	0	0	0	115.5	V528	V528-G530 PolarHBondContact O-N 3.4Å; V528-G530 VanDerWaalsContact O-N 3.08Å
531	F	89.6	Confident	86.8	Confident	166 Å²	166	57.5 Å²	57.5	73%	0.728	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.7	178.2	-63.2	-80.1	0	0	0	111.8	I527 V528	I527-F531 VanDerWaalsContact CA-O 3.3Å; I527-F531 WeakPolarHBondContact CA-O 3.5Å; V528-F531 PolarHBondContact N-O 2.8Å; V528-F531 WeakPolarHBondContact O-CD2 3.34Å; V528-F531 PolarHBondContact O-N 3.4Å
532	Y	90.3	Very high	87.4	Confident	156 Å²	156	47.8 Å²	47.8	61%	0.612	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	135.6	177.8	177.1	-86.7	0	0	0	111.9	I525 D534	I525-Y532 HydrophobicContact CB-CE2 3.86Å; I525-Y532 HydrophobicContact CD1-CE2 4.01Å; I525-Y532 HydrophobicContact CG2-CE2 3.68Å; I525-Y532 VanDerWaalsContact CG2-OH 3.26Å; I525-Y532 WeakPolarHBondContact CG2-OH 3.39Å; Y532-D534 HydrophobicContact CE1-CB 4.45Å
533	R	88.7	Confident	87.9	Confident	95 Å²	95	46.1 Å²	46.1	36%	0.358	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	129.3	172.7	-167.8	174	-170.7	-97.8	1.5	110.5	I525 S526 I535	I525-R533 WeakPolarHBondContact CA-O 3.32Å; S526-R533 PolarHBondContact N-O 3.19Å; S526-R533 PolarHBondContact O-N 3.31Å; R533-I535 HydrophobicContact CG-CG2 4.43Å
534	D	85.4	Confident	88.6	Confident	89 Å²	89	46.4 Å²	46.4	48%	0.476	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128.7	168	-172.6	-31.7	0	0	0	109.3	Y532 S536	Y532-D534 HydrophobicContact CE1-CB 4.45Å; D534-S536 WeakPolarHBondContact OD1-CB 3.45Å; D534-S536 PolarHBondContact OD1-N 3.34Å; D534-S536 PolarHBondContact OD1-OG 2.99Å
535	I	82.8	Confident	88.8	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.026	25%	0.247	C	C	.	.			trans	-121.7	34.7	177	56.9	165.2	0	0	0	112.2	Y504 A505 W524 R533 F537 V580	Y504-I535 WeakPolarHBondContact O-CD1 3.31Å; A505-I535 HydrophobicContact CB-CD1 4.09Å; W524-I535 HydrophobicContact CB-CD1 3.61Å; W524-I535 HydrophobicContact CB-CG1 3.47Å; W524-I535 VanDerWaalsContact CB-CG1 3.47Å; W524-I535 HydrophobicContact CE3-CD1 3.93Å; W524-I535 WeakPolarHBondContact O-CG1 3.45Å; W524-I535 PolarHBondContact O-N 2.83Å; R533-I535 HydrophobicContact CG-CG2 4.43Å; I535-F537 PolarHBondContact O-N 2.79Å; I535-F537 VanDerWaalsContact O-N 3.16Å; I535-V580 HydrophobicContact CD1-CG1 4.02Å
536	S	74.9	Confident	88.8	Confident	20 Å²	20	48.9 Å²	48.9	14%	0.14	26%	0.255	C	S	.	.			trans	-55.3	-30.5	174.7	-61.2	0	0	0	0	112.6	P523 D534 Y539	P523-S536 VanDerWaalsContact CB-OG 3.24Å; P523-S536 WeakPolarHBondContact CB-OG 2.99Å; D534-S536 WeakPolarHBondContact OD1-CB 3.45Å; D534-S536 PolarHBondContact OD1-N 3.34Å; D534-S536 PolarHBondContact OD1-OG 2.99Å; S536-Y539 WeakPolarHBondContact O-CA 3Å; S536-Y539 WeakPolarHBondContact O-CD1 3.39Å; S536-Y539 WeakPolarHBondContact O-CD2 2.96Å; S536-Y539 WeakPolarHBondContact O-CE1 3.42Å; S536-Y539 PolarHBondContact O-N 3.35Å
537	F	81.6	Confident	88.7	Confident	72 Å²	72	52.1 Å²	52.1	32%	0.316	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	131.9	172	178.1	-89.3	0	0	0	111.2	I419 F477 V480 T481 Y483 I535	I419-F537 HydrophobicContact CD1-CD2 3.63Å; I419-F537 HydrophobicContact CD1-CE2 3.31Å; I419-F537 HydrophobicContact CD1-CZ 4.36Å; F477-F537 HydrophobicContact CZ-CE2 4.45Å; F477-F537 HydrophobicContact CZ-CZ 4.48Å; V480-F537 HydrophobicContact CG1-CE1 4.04Å; V480-F537 HydrophobicContact CG1-CZ 4.19Å; T481-F537 WeakPolarHBondContact O-CE1 3.42Å; Y483-F537 HydrophobicContact CE2-CD1 4.23Å; Y483-F537 HydrophobicContact CE2-CE1 4.05Å; I535-F537 PolarHBondContact O-N 2.79Å; I535-F537 VanDerWaalsContact O-N 3.16Å
538	P	76.2	Confident	88.1	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.019	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	cis	-98.7	31.2	13	37.5	-33.3	0	0	0	115.6	I419 F428 V480 A540	I419-P538 WeakPolarHBondContact CB-O 3.4Å; I419-P538 HydrophobicContact CD1-CB 4.37Å; I419-P538 HydrophobicContact CG2-CB 4.3Å; I419-P538 WeakPolarHBondContact CG2-O 3.29Å; F428-P538 HydrophobicContact CD2-CB 4.24Å; F428-P538 HydrophobicContact CD2-CG 4.11Å; F428-P538 HydrophobicContact CE2-CB 3.95Å; F428-P538 HydrophobicContact CE2-CG 3.55Å; F428-P538 HydrophobicContact CZ-CG 4.04Å; V480-P538 HydrophobicContact CG1-CB 4.45Å; V480-P538 HydrophobicContact CG1-CG 4.45Å; P538-A540 WeakPolarHBondContact CG-O 3.14Å; P538-A540 PolarHBondContact O-N 2.79Å
539	Y	87.9	Confident	87.3	Confident	65 Å²	65	54.7 Å²	54.7	26%	0.255	30%	0.299	S	S	.	.	S	Bend	trans	58.5	7.6	-179.2	-51.6	-83.4	0	0	0	115.4	I419 H518 S536	I419-Y539 HydrophobicContact CB-CD2 4.16Å; I419-Y539 HydrophobicContact CD1-CD2 4.21Å; H518-Y539 WeakPolarHBondContact CB-O 3.37Å; H518-Y539 PolarHBondContact N-O 2.96Å; S536-Y539 WeakPolarHBondContact O-CA 3Å; S536-Y539 WeakPolarHBondContact O-CD1 3.39Å; S536-Y539 WeakPolarHBondContact O-CD2 2.96Å; S536-Y539 WeakPolarHBondContact O-CE1 3.42Å; S536-Y539 PolarHBondContact O-N 3.35Å
540	A	92.6	Very high	86.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	160.3	177.8	0	0	0	0	0	109.2	F428 V516 P538	F428-A540 HydrophobicContact CB-CB 3.53Å; F428-A540 HydrophobicContact CD1-CB 4.37Å; F428-A540 HydrophobicContact CG-CB 3.91Å; V516-A540 CarbonylContact O-C 3.6Å; V516-A540 WeakPolarHBondContact O-CA 3.43Å; V516-A540 WeakPolarHBondContact O-CB 3.48Å; P538-A540 WeakPolarHBondContact CG-O 3.14Å; P538-A540 PolarHBondContact O-N 2.79Å
541	S	93.5	Very high	86.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	158.4	-179.6	48.7	0	0	0	0	111.6	V516 H518 H543	V516-S541 PolarHBondContact N-O 3.22Å; V516-S541 PolarHBondContact O-N 2.78Å; H518-S541 PolarHBondContact NE2-OG 2.68Å; S541-H543 WeakPolarHBondContact CB-NE2 3.11Å; S541-H543 PolarHBondContact OG-CD2 3.11Å; S541-H543 PolarHBondContact OG-NE2 3.08Å
542	C	95.7	Very high	86.4	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.6	178.4	-60.7	0	0	0	0	111.4	C489 Q507 Y508 F509 V514	C489-C542 WeakPolarHBondContact CA-SG 3.26Å; C489-C542 HydrophobicContact CB-CB 3.49Å; C489-C542 VanDerWaalsContact CB-CB 3.49Å; C489-C542 WeakPolarHBondContact CB-SG 3.39Å; C489-C542 VanDerWaalsContact SG-CA 3.51Å; C489-C542 WeakPolarHBondContact SG-CB 3.44Å; C489-C542 CovalentContact SG-SG 2.03Å; C489-C542 PolarHBondContact SG-SG 3.18Å; Q507-C542 CarbonylContact C-O 3.53Å; Q507-C542 VanDerWaalsContact CA-O 3.31Å; Q507-C542 WeakPolarHBondContact CA-O 3.32Å; Y508-C542 PolarHBondContact N-O 3.32Å; Y508-C542 CarbonylContact O-C 3.54Å; Y508-C542 WeakPolarHBondContact O-CB 3.42Å; F509-C542 HydrophobicContact CD1-CB 4.16Å; F509-C542 HydrophobicContact CE1-CB 3.96Å; F509-C542 VanDerWaalsContact CE1-SG 3.6Å; F509-C542 HydrophobicContact CZ-CB 4.43Å; V514-C542 WeakPolarHBondContact O-CA 3.4Å
543	H	95.6	Very high	86.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150.7	-176.9	-68.5	-75.7	0	0	0	111.8	A505 L506 S513 V514 V516 W524 S541 L554	A505-H543 PolarHBondContact O-CE1 3.12Å; L506-H543 PolarHBondContact O-CE1 3.3Å; L506-H543 PolarHBondContact O-ND1 3.02Å; S513-H543 CarbonylContact C-O 3.54Å; S513-H543 VanDerWaalsContact CA-O 3.27Å; S513-H543 WeakPolarHBondContact CA-O 2.91Å; S513-H543 PolarHBondContact OG-N 3.45Å; S513-H543 PolarHBondContact OG-O 2.88Å; V514-H543 PolarHBondContact N-O 3.29Å; V514-H543 PolarHBondContact O-N 3.33Å; V516-H543 VanDerWaalsContact CG2-CD2 3.45Å; V516-H543 WeakPolarHBondContact CG2-CD2 3.42Å; W524-H543 AromaticContact CH2-NE2 3.57Å; W524-H543 AromaticContact CZ3-NE2 3.85Å; S541-H543 WeakPolarHBondContact CB-NE2 3.11Å; S541-H543 PolarHBondContact OG-CD2 3.11Å; S541-H543 PolarHBondContact OG-NE2 3.08Å; H543-L554 HydrophobicContact CB-CD1 3.71Å; H543-L554 HydrophobicContact CB-CG 4.44Å
544	K	95.7	Very high	86.8	Confident	66 Å²	66	34.8 Å²	34.8	29%	0.287	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	146.2	173.9	-173.9	173.7	-177.8	116.9	0	110	Y508 D512 L555	Y508-K544 HydrophobicContact CD1-CB 3.48Å; Y508-K544 VanDerWaalsContact CD1-CB 3.48Å; Y508-K544 HydrophobicContact CD1-CG 4.25Å; Y508-K544 HydrophobicContact CE1-CB 3.74Å; Y508-K544 HydrophobicContact CE1-CD 4.19Å; Y508-K544 HydrophobicContact CE1-CG 3.98Å; Y508-K544 HydrophobicContact CG-CB 4.11Å; D512-K544 WeakPolarHBondContact O-CA 3.46Å; D512-K544 WeakPolarHBondContact OD2-CE 3.29Å; D512-K544 IonicContact OD2-NZ 2.93Å; D512-K544 PolarHBondContact OD2-NZ 2.94Å; K544-L555 HydrophobicContact CB-CB 4.05Å; K544-L555 HydrophobicContact CD-CD2 4.25Å; K544-L555 PolarHBondContact O-N 2.97Å
545	Y	94	Very high	87.3	Confident	25 Å²	25	32.2 Å²	32.2	10%	0.098	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	155.3	174.4	76.7	-72.5	0	0	0	112.5	D512 V514 I552 E553 A592	D512-Y545 WeakPolarHBondContact O-CD1 3.37Å; D512-Y545 PolarHBondContact O-N 2.84Å; V514-Y545 HydrophobicContact CB-CD1 3.65Å; V514-Y545 HydrophobicContact CB-CE1 4Å; V514-Y545 HydrophobicContact CB-CG 4.18Å; V514-Y545 HydrophobicContact CG1-CD1 3.78Å; V514-Y545 HydrophobicContact CG1-CG 3.94Å; Y545-I552 HydrophobicContact CD2-CG2 4.13Å; Y545-I552 HydrophobicContact CG-CG2 4.38Å; Y545-E553 CarbonylContact C-O 3.58Å; Y545-E553 WeakPolarHBondContact CA-O 3.11Å; Y545-A592 HydrophobicContact CE2-CB 3.87Å; Y545-A592 PolarHBondContact OH-O 2.88Å
546	N	93.1	Very high	87.8	Confident	69 Å²	69	32 Å²	32	37%	0.369	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.5	166.1	-61.8	-39.2	0	0	0	109.8	E553	N546-E553 HydrophobicContact CB-CB 4.25Å; N546-E553 PolarHBondContact N-O 3.35Å; N546-E553 PolarHBondContact O-N 2.94Å
547	C	89.7	Confident	88.7	Confident	67 Å²	67	32.6 Å²	32.6	45%	0.453	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.1	169.6	-62.3	0	0	0	0	109.8	C593	C547-C593 VanDerWaalsContact CA-SG 3.6Å; C547-C593 HydrophobicContact CB-CB 3.8Å; C547-C593 WeakPolarHBondContact CB-SG 3.29Å; C547-C593 WeakPolarHBondContact SG-CA 3.25Å; C547-C593 WeakPolarHBondContact SG-CB 3.41Å; C547-C593 CovalentContact SG-SG 2.03Å; C547-C593 PolarHBondContact SG-SG 3.19Å
548	S	81	Confident	89.2	Confident	36 Å²	36	36.3 Å²	36.3	25%	0.252	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	168.4	173.1	75.5	0	0	0	0	110.2	G550 G551	S548-G550 PolarHBondContact O-N 2.92Å; S548-G550 VanDerWaalsContact O-N 3.15Å; S548-G550 PolarHBondContact OG-N 3.3Å; S548-G551 PolarHBondContact N-O 3.18Å; S548-G551 PolarHBondContact O-N 3.42Å; S548-G551 VanDerWaalsContact O-N 3.13Å; S548-G551 PolarHBondContact OG-N 3.37Å; S548-G551 PolarHBondContact OG-O 3.43Å
549	S	73.7	Confident	90	Very high	92 Å²	92	40 Å²	40	64%	0.643	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.4	172.5	54.1	0	0	0	0	112.5	S597	S549-S597 WeakPolarHBondContact CA-OG 3.27Å; S549-S597 WeakPolarHBondContact CB-OG 3.41Å; S549-S597 WeakPolarHBondContact O-CB 3.45Å; S549-S597 PolarHBondContact O-N 3.07Å; S549-S597 PolarHBondContact O-OG 3.33Å
550	G	72	Confident	90.2	Very high	55 Å²	55	40.5 Å²	40.5	57%	0.567	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-2.3	-179.7	0	0	0	0	0	115.3	S548	S548-G550 PolarHBondContact O-N 2.92Å; S548-G550 VanDerWaalsContact O-N 3.15Å; S548-G550 PolarHBondContact OG-N 3.3Å
551	G	81.2	Confident	90.1	Very high	6 Å²	6	41.7 Å²	41.7	6%	0.062	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	119.9	-147.7	-175.6	0	0	0	0	0	112.3	S548	S548-G551 PolarHBondContact N-O 3.18Å; S548-G551 PolarHBondContact O-N 3.42Å; S548-G551 VanDerWaalsContact O-N 3.13Å; S548-G551 PolarHBondContact OG-N 3.37Å; S548-G551 PolarHBondContact OG-O 3.43Å
552	I	90.1	Very high	90	Very high	2 Å²	2	47 Å²	47	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.5	-177	-63.4	175	0	0	0	109.7	Y545 C563 P587 C589 A592	Y545-I552 HydrophobicContact CD2-CG2 4.13Å; Y545-I552 HydrophobicContact CG-CG2 4.38Å; I552-C563 HydrophobicContact CB-CB 4.23Å; I552-C563 HydrophobicContact CG2-CB 4.39Å; I552-C563 WeakPolarHBondContact O-CA 3.3Å; I552-C563 WeakPolarHBondContact O-CB 3.37Å; I552-C563 PolarHBondContact O-N 2.51Å; I552-P587 HydrophobicContact CD1-CB 4.32Å; I552-P587 HydrophobicContact CD1-CG 3.8Å; I552-C589 HydrophobicContact CG1-CB 4.32Å; I552-A592 HydrophobicContact CD1-CB 3.85Å
553	E	92.8	Very high	89.6	Confident	59 Å²	59	47.1 Å²	47.1	28%	0.276	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	114.8	161.6	-61.6	-177	135	0	0	108.1	Y545 N546 L555 V560	Y545-E553 CarbonylContact C-O 3.58Å; Y545-E553 WeakPolarHBondContact CA-O 3.11Å; N546-E553 HydrophobicContact CB-CB 4.25Å; N546-E553 PolarHBondContact N-O 3.35Å; N546-E553 PolarHBondContact O-N 2.94Å; E553-L555 WeakPolarHBondContact O-CD1 3.37Å; E553-V560 HydrophobicContact CB-CG1 4.22Å
554	L	93.6	Very high	89.2	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130	179.5	-172.2	68.4	0	0	0	110.2	V514 V516 H543 V556 V560 T561 C563 V584	V514-L554 HydrophobicContact CG1-CD1 4.07Å; V516-L554 HydrophobicContact CG1-CD1 3.78Å; V516-L554 HydrophobicContact CG1-CD2 4.08Å; H543-L554 HydrophobicContact CB-CD1 3.71Å; H543-L554 HydrophobicContact CB-CG 4.44Å; L554-V556 HydrophobicContact CD2-CG2 3.8Å; L554-V556 HydrophobicContact CG-CG2 3.92Å; L554-V560 WeakPolarHBondContact O-CA 2.93Å; L554-T561 PolarHBondContact N-O 3.21Å; L554-T561 PolarHBondContact O-N 2.89Å; L554-C563 HydrophobicContact CB-CB 4.41Å; L554-V584 HydrophobicContact CD2-CG1 4.39Å; L554-V584 HydrophobicContact CD2-CG2 4.15Å
555	L	95.3	Very high	88.6	Confident	35 Å²	35	49.6 Å²	49.6	18%	0.183	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	104.2	177.8	-68.6	83	0	0	0	109.2	K544 E553 Q559 V560	K544-L555 HydrophobicContact CB-CB 4.05Å; K544-L555 HydrophobicContact CD-CD2 4.25Å; K544-L555 PolarHBondContact O-N 2.97Å; E553-L555 WeakPolarHBondContact O-CD1 3.37Å; L555-Q559 WeakPolarHBondContact CA-O 3.18Å; L555-V560 HydrophobicContact CD2-CG2 4.43Å; L555-V560 HydrophobicContact CG-CG2 4.16Å
556	V	94.4	Very high	87.9	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	104.4	175.7	-175.2	0	0	0	0	107.8	L506 L554 K558 Q559 I571 A573	L506-V556 HydrophobicContact CB-CG1 4.12Å; L506-V556 HydrophobicContact CD1-CG1 4.18Å; L554-V556 HydrophobicContact CD2-CG2 3.8Å; L554-V556 HydrophobicContact CG-CG2 3.92Å; V556-K558 PolarHBondContact O-N 3.31Å; V556-Q559 PolarHBondContact N-O 3.42Å; V556-Q559 WeakPolarHBondContact O-CB 3.3Å; V556-Q559 PolarHBondContact O-N 3Å; V556-I571 HydrophobicContact CG1-CD1 4.16Å; V556-A573 HydrophobicContact CB-CB 3.79Å; V556-A573 HydrophobicContact CG1-CB 3.46Å; V556-A573 VanDerWaalsContact CG1-CB 3.46Å; V556-A573 VanDerWaalsContact O-CB 3.3Å; V556-A573 WeakPolarHBondContact O-CB 2.98Å
557	G	92.5	Very high	87.7	Confident	31 Å²	31	52.6 Å²	52.6	32%	0.32	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	-123.2	-167.7	0	0	0	0	0	111.1
558	K	92	Very high	87.7	Confident	151 Å²	151	51.7 Å²	51.7	66%	0.657	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-6.4	175.9	-62.1	-179.9	-177.5	172.5	0	114.2	V556 Y574 D575	V556-K558 PolarHBondContact O-N 3.31Å; K558-Y574 WeakPolarHBondContact CB-O 3.45Å; K558-Y574 PolarHBondContact N-O 2.91Å; K558-Y574 VanDerWaalsContact N-O 3.09Å; K558-D575 VanDerWaalsContact CE-OD1 3.29Å; K558-D575 WeakPolarHBondContact CE-OD1 3.48Å; K558-D575 IonicContact NZ-OD1 3.73Å
559	Q	93.3	Very high	88.2	Confident	81 Å²	81	51.6 Å²	51.6	38%	0.379	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	129.1	-177.5	-175.3	66.1	22.9	0	0	110	L555 V556 A573	L555-Q559 WeakPolarHBondContact CA-O 3.18Å; V556-Q559 PolarHBondContact N-O 3.42Å; V556-Q559 WeakPolarHBondContact O-CB 3.3Å; V556-Q559 PolarHBondContact O-N 3Å; Q559-A573 HydrophobicContact CB-CB 3.84Å
560	V	92.8	Very high	89	Confident	74 Å²	74	51.9 Å²	51.9	45%	0.448	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.8	171.7	-170.7	0	0	0	0	108.6	E553 L554 L555	E553-V560 HydrophobicContact CB-CG1 4.22Å; L554-V560 WeakPolarHBondContact O-CA 2.93Å; L555-V560 HydrophobicContact CD2-CG2 4.43Å; L555-V560 HydrophobicContact CG-CG2 4.16Å
561	T	90.6	Very high	90	Very high	26 Å²	26	49.6 Å²	49.6	16%	0.16	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.8	-178.2	-56.5	0	0	0	0	109.9	L554 C563 L569	L554-T561 PolarHBondContact N-O 3.21Å; L554-T561 PolarHBondContact O-N 2.89Å; T561-C563 PolarHBondContact O-N 2.83Å; T561-L569 HydrophobicContact CG2-CD1 4.26Å
562	N	90.3	Very high	90.6	Very high	111 Å²	111	52.4 Å²	52.4	59%	0.594	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	124.9	169.8	-68	-16.8	0	0	0	108.9	P564 L569	N562-P564 WeakPolarHBondContact O-CD 3.15Å; N562-L569 WeakPolarHBondContact O-CD1 3.47Å
563	C	88.5	Confident	90.8	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.02	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	97.3	-176.1	-134.6	0	0	0	0	110.1	I552 L554 T561 C586	I552-C563 HydrophobicContact CB-CB 4.23Å; I552-C563 HydrophobicContact CG2-CB 4.39Å; I552-C563 WeakPolarHBondContact O-CA 3.3Å; I552-C563 WeakPolarHBondContact O-CB 3.37Å; I552-C563 PolarHBondContact O-N 2.51Å; L554-C563 HydrophobicContact CB-CB 4.41Å; T561-C563 PolarHBondContact O-N 2.83Å; C563-C586 WeakPolarHBondContact CA-SG 3.33Å; C563-C586 HydrophobicContact CB-CB 3.88Å; C563-C586 WeakPolarHBondContact CB-SG 3.27Å; C563-C586 WeakPolarHBondContact SG-CA 3.45Å; C563-C586 WeakPolarHBondContact SG-CB 3.46Å; C563-C586 CovalentContact SG-SG 2.03Å; C563-C586 PolarHBondContact SG-SG 3.49Å
564	P	85.8	Confident	90.8	Very high	48 Å²	48	54.5 Å²	54.5	31%	0.312	31%	0.305	S	S	.	.			trans	-68	142.5	174	-16.6	31.1	0	0	0	111.4	N562 G566 E567 L569 C586	N562-P564 WeakPolarHBondContact O-CD 3.15Å; P564-G566 PolarHBondContact O-N 3.41Å; P564-G566 VanDerWaalsContact O-N 3.11Å; P564-E567 HydrophobicContact CB-CB 4.2Å; P564-E567 HydrophobicContact CB-CG 3.98Å; P564-E567 PolarHBondContact O-N 3.35Å; P564-L569 HydrophobicContact CG-CD1 4.44Å; P564-C586 WeakPolarHBondContact O-CB 3.39Å
565	D	83.8	Confident	90.7	Very high	70 Å²	70	56.9 Å²	56.9	37%	0.374	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	115.7	-177	-87	38.6	0	0	0	113.2	E567 S588 C589	D565-E567 PolarHBondContact O-N 3.34Å; D565-S588 WeakPolarHBondContact OD2-CA 3.33Å; D565-S588 PolarHBondContact OD2-OG 2.92Å; D565-C589 VanDerWaalsContact CG-N 3.29Å; D565-C589 WeakPolarHBondContact OD1-CB 3.14Å; D565-C589 PolarHBondContact OD1-N 3.11Å; D565-C589 PolarHBondContact OD2-N 2.71Å
566	G	80.2	Confident	90.3	Very high	48 Å²	48	60.7 Å²	60.7	50%	0.495	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	5	173	0	0	0	0	0	115.7	P564 L585 C586	P564-G566 PolarHBondContact O-N 3.41Å; P564-G566 VanDerWaalsContact O-N 3.11Å; G566-L585 WeakPolarHBondContact O-CD1 3.33Å; G566-C586 WeakPolarHBondContact CA-O 3.41Å; G566-C586 PolarHBondContact N-O 3.28Å
567	E	87.4	Confident	90	Very high	108 Å²	108	66.8 Å²	66.8	51%	0.505	37%	0.371	S	S	.	.			trans	-80.3	150.1	175.7	-66.7	-165.5	173.7	0	0	111.9	P564 D565 C586	P564-E567 HydrophobicContact CB-CB 4.2Å; P564-E567 HydrophobicContact CB-CG 3.98Å; P564-E567 PolarHBondContact O-N 3.35Å; D565-E567 PolarHBondContact O-N 3.34Å; E567-C586 WeakPolarHBondContact O-CB 3.48Å; E567-C586 PolarHBondContact O-N 3.22Å
568	S	90.7	Very high	90.1	Very high	48 Å²	48	65.6 Å²	65.6	34%	0.336	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.6	171.5	-176.6	0	0	0	0	109.1	D519 V584	D519-S568 VanDerWaalsContact OD2-CB 3.31Å; D519-S568 WeakPolarHBondContact OD2-CB 3.43Å; D519-S568 PolarHBondContact OD2-OG 2.91Å; S568-V584 CarbonylContact C-O 3.51Å; S568-V584 WeakPolarHBondContact CA-O 3.29Å
569	L	90.3	Very high	90.2	Very high	34 Å²	34	59 Å²	59	18%	0.178	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.6	-174.9	-71.4	-178.4	0	0	0	112.5	T561 N562 P564 L583 V584	T561-L569 HydrophobicContact CG2-CD1 4.26Å; N562-L569 WeakPolarHBondContact O-CD1 3.47Å; P564-L569 HydrophobicContact CG-CD1 4.44Å; L569-L583 CarbonylContact O-C 3.5Å; L569-L583 WeakPolarHBondContact O-CA 3.35Å; L569-V584 HydrophobicContact CB-CG1 4.17Å; L569-V584 PolarHBondContact N-O 3.22Å; L569-V584 PolarHBondContact O-N 2.79Å
570	P	92.1	Very high	90.2	Very high	99 Å²	99	55.1 Å²	55.1	64%	0.643	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	134.4	172.8	30.2	-33.1	0	0	0	110.9	G582 L583	P570-G582 WeakPolarHBondContact CA-O 3.49Å; P570-L583 HydrophobicContact CB-CD2 4.02Å
571	I	92	Very high	90.2	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.036	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	144.4	168.8	63.2	153.9	0	0	0	110.3	W524 V556 V580 R581 G582 V584	W524-I571 HydrophobicContact CD2-CD1 4.08Å; W524-I571 HydrophobicContact CE3-CD1 4.1Å; W524-I571 HydrophobicContact CH2-CD1 3.3Å; W524-I571 HydrophobicContact CZ2-CD1 3.27Å; W524-I571 HydrophobicContact CZ2-CG1 4.1Å; W524-I571 HydrophobicContact CZ3-CD1 3.73Å; V556-I571 HydrophobicContact CG1-CD1 4.16Å; I571-V580 HydrophobicContact CD1-CG1 4.19Å; I571-R581 VanDerWaalsContact O-CA 3.29Å; I571-R581 WeakPolarHBondContact O-CA 3.26Å; I571-G582 WeakPolarHBondContact CG1-O 3.33Å; I571-G582 PolarHBondContact N-O 3.14Å; I571-G582 PolarHBondContact O-N 3.42Å; I571-V584 HydrophobicContact CG2-CB 4.27Å; I571-V584 HydrophobicContact CG2-CG1 3.79Å
572	N	93.7	Very high	90.3	Very high	65 Å²	65	55.9 Å²	55.9	35%	0.348	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	84.2	166.7	-179.8	23.9	0	0	0	107.5	Y574 N579 V580 R581	N572-Y574 PolarHBondContact ND2-OH 2.86Å; N572-Y574 WeakPolarHBondContact O-CE2 3.5Å; N572-Y574 WeakPolarHBondContact OD1-CE2 3.33Å; N572-Y574 PolarHBondContact OD1-OH 3.39Å; N572-Y574 VanDerWaalsContact OD1-OH 3.11Å; N572-N579 PolarHBondContact OD1-ND2 3.47Å; N572-V580 CarbonylContact C-O 3.57Å; N572-V580 WeakPolarHBondContact CA-O 3.47Å; N572-R581 HydrophobicContact CB-CG 4.24Å; N572-R581 WeakPolarHBondContact OD1-CD 3.44Å; N572-R581 VanDerWaalsContact OD1-CG 3.26Å; N572-R581 WeakPolarHBondContact OD1-CG 3.35Å; N572-R581 PolarHBondContact OD1-NE 3.15Å
573	A	94.7	Very high	90.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	149.4	-169.5	0	0	0	0	0	111.5	L506 V556 Q559 N579 V580	L506-A573 HydrophobicContact CD1-CB 3.88Å; V556-A573 HydrophobicContact CB-CB 3.79Å; V556-A573 HydrophobicContact CG1-CB 3.46Å; V556-A573 VanDerWaalsContact CG1-CB 3.46Å; V556-A573 VanDerWaalsContact O-CB 3.3Å; V556-A573 WeakPolarHBondContact O-CB 2.98Å; Q559-A573 HydrophobicContact CB-CB 3.84Å; A573-N579 CarbonylContact O-C 3.47Å; A573-N579 WeakPolarHBondContact O-CA 3.4Å; A573-N579 PolarHBondContact O-ND2 3.12Å; A573-V580 PolarHBondContact N-O 3.12Å; A573-V580 PolarHBondContact O-N 3.16Å
574	Y	92.7	Very high	90.6	Very high	105 Å²	105	52.2 Å²	52.2	41%	0.412	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.1	-178.8	-55.8	-100.9	0	0	0	109.9	K558 N572 I578 N579	K558-Y574 WeakPolarHBondContact CB-O 3.45Å; K558-Y574 PolarHBondContact N-O 2.91Å; K558-Y574 VanDerWaalsContact N-O 3.09Å; N572-Y574 PolarHBondContact ND2-OH 2.86Å; N572-Y574 WeakPolarHBondContact O-CE2 3.5Å; N572-Y574 WeakPolarHBondContact OD1-CE2 3.33Å; N572-Y574 PolarHBondContact OD1-OH 3.39Å; N572-Y574 VanDerWaalsContact OD1-OH 3.11Å; Y574-I578 WeakPolarHBondContact CA-O 3.1Å; Y574-N579 HydrophobicContact CD1-CB 3.55Å; Y574-N579 VanDerWaalsContact CD1-ND2 3.28Å; Y574-N579 WeakPolarHBondContact CD1-ND2 3.49Å; Y574-N579 HydrophobicContact CE1-CB 3.61Å; Y574-N579 WeakPolarHBondContact CE1-ND2 3.31Å; Y574-N579 HydrophobicContact CG-CB 4.46Å
575	D	91.6	Very high	90.8	Very high	49 Å²	49	53.2 Å²	53.2	26%	0.262	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	130	160.7	-166	10.2	0	0	0	109.8	L506 K558 N577 I578	L506-D575 HydrophobicContact CD2-CB 3.64Å; K558-D575 VanDerWaalsContact CE-OD1 3.29Å; K558-D575 WeakPolarHBondContact CE-OD1 3.48Å; K558-D575 IonicContact NZ-OD1 3.73Å; D575-N577 PolarHBondContact O-N 2.72Å; D575-N577 VanDerWaalsContact O-N 3.11Å; D575-I578 PolarHBondContact N-O 3.48Å; D575-I578 WeakPolarHBondContact O-CB 3.49Å; D575-I578 PolarHBondContact O-N 3.43Å
576	N	87	Confident	91.1	Very high	115 Å²	115	50.1 Å²	50.1	62%	0.615	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	-116.1	-173	-57.2	-45.2	0	0	0	112.4
577	N	89.1	Confident	91.4	Very high	130 Å²	130	49.1 Å²	49.1	70%	0.695	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	7.2	-179.2	-68.4	-19	0	0	0	113.7	V528 G529 D575	V528-N577 WeakPolarHBondContact CA-O 3.49Å; G529-N577 PolarHBondContact N-O 2.58Å; D575-N577 PolarHBondContact O-N 2.72Å; D575-N577 VanDerWaalsContact O-N 3.11Å
578	I	92.7	Very high	91.2	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.1	-174.7	-53.8	178.1	0	0	0	108.8	N503 L506 I527 V528 Y574 D575 V580	N503-I578 HydrophobicContact CB-CD1 4.24Å; L506-I578 HydrophobicContact CD2-CB 4.02Å; L506-I578 HydrophobicContact CD2-CD1 4.41Å; L506-I578 HydrophobicContact CD2-CG2 3.84Å; L506-I578 HydrophobicContact CG-CG2 4.24Å; I527-I578 WeakPolarHBondContact O-CA 3.31Å; V528-I578 HydrophobicContact CG1-CG1 4.26Å; V528-I578 HydrophobicContact CG2-CG1 4.06Å; V528-I578 HydrophobicContact CG2-CG2 4.28Å; Y574-I578 WeakPolarHBondContact CA-O 3.1Å; D575-I578 PolarHBondContact N-O 3.48Å; D575-I578 WeakPolarHBondContact O-CB 3.49Å; D575-I578 PolarHBondContact O-N 3.43Å; I578-V580 HydrophobicContact CG2-CG2 3.95Å
579	N	94.3	Very high	90.9	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.064	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.8	168.8	174	-137.9	0	0	0	110.3	S526 I527 N572 A573 Y574 R581	S526-N579 CarbonylContact C-O 3.58Å; S526-N579 WeakPolarHBondContact CA-O 3.33Å; I527-N579 HydrophobicContact CB-CB 4.35Å; I527-N579 PolarHBondContact N-O 2.98Å; I527-N579 PolarHBondContact O-N 3.28Å; N572-N579 PolarHBondContact OD1-ND2 3.47Å; A573-N579 CarbonylContact O-C 3.47Å; A573-N579 WeakPolarHBondContact O-CA 3.4Å; A573-N579 PolarHBondContact O-ND2 3.12Å; Y574-N579 HydrophobicContact CD1-CB 3.55Å; Y574-N579 VanDerWaalsContact CD1-ND2 3.28Å; Y574-N579 WeakPolarHBondContact CD1-ND2 3.49Å; Y574-N579 HydrophobicContact CE1-CB 3.61Å; Y574-N579 WeakPolarHBondContact CE1-ND2 3.31Å; Y574-N579 HydrophobicContact CG-CB 4.46Å; N579-R581 PolarHBondContact OD1-NE 2.62Å; N579-R581 PolarHBondContact OD1-NH2 3.41Å
580	V	94.2	Very high	90.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.4	179.8	-179.8	0	0	0	0	110.4	Y504 L506 W524 I525 I535 I571 N572 A573 I578	Y504-V580 WeakPolarHBondContact O-CG2 3.21Å; L506-V580 HydrophobicContact CB-CG2 4.5Å; L506-V580 HydrophobicContact CD1-CB 4.08Å; L506-V580 HydrophobicContact CD1-CG2 3.74Å; L506-V580 HydrophobicContact CG-CB 4.43Å; L506-V580 HydrophobicContact CG-CG2 3.63Å; W524-V580 HydrophobicContact CD2-CG1 4.11Å; W524-V580 HydrophobicContact CE3-CG1 3.36Å; W524-V580 HydrophobicContact CZ3-CG1 3.77Å; I525-V580 WeakPolarHBondContact O-CA 3.24Å; I535-V580 HydrophobicContact CD1-CG1 4.02Å; I571-V580 HydrophobicContact CD1-CG1 4.19Å; N572-V580 CarbonylContact C-O 3.57Å; N572-V580 WeakPolarHBondContact CA-O 3.47Å; A573-V580 PolarHBondContact N-O 3.12Å; A573-V580 PolarHBondContact O-N 3.16Å; I578-V580 HydrophobicContact CG2-CG2 3.95Å
581	R	93	Very high	89.4	Confident	104 Å²	104	46.6 Å²	46.6	39%	0.392	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.9	176.9	-54.1	-176.2	-169.4	170.9	7	110.8	W524 I525 I571 N572 N579	W524-R581 CarbonylContact C-O 3.54Å; W524-R581 VanDerWaalsContact CA-O 3.29Å; W524-R581 WeakPolarHBondContact CA-O 3.37Å; I525-R581 HydrophobicContact CD1-CB 4.32Å; I525-R581 HydrophobicContact CG1-CB 3.91Å; I525-R581 PolarHBondContact N-O 2.96Å; I525-R581 PolarHBondContact O-N 3.28Å; I571-R581 VanDerWaalsContact O-CA 3.29Å; I571-R581 WeakPolarHBondContact O-CA 3.26Å; N572-R581 HydrophobicContact CB-CG 4.24Å; N572-R581 WeakPolarHBondContact OD1-CD 3.44Å; N572-R581 VanDerWaalsContact OD1-CG 3.26Å; N572-R581 WeakPolarHBondContact OD1-CG 3.35Å; N572-R581 PolarHBondContact OD1-NE 3.15Å; N579-R581 PolarHBondContact OD1-NE 2.62Å; N579-R581 PolarHBondContact OD1-NH2 3.41Å
582	G	92.5	Very high	88.7	Confident	12 Å²	12	47 Å²	47	12%	0.124	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.3	-172.2	177.6	0	0	0	0	0	111	P570 I571	P570-G582 WeakPolarHBondContact CA-O 3.49Å; I571-G582 WeakPolarHBondContact CG1-O 3.33Å; I571-G582 PolarHBondContact N-O 3.14Å; I571-G582 PolarHBondContact O-N 3.42Å
583	L	92.7	Very high	88.2	Confident	37 Å²	37	44.3 Å²	44.3	19%	0.194	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.8	171.8	-74.7	173.2	0	0	0	110.1	D519 A522 W524 L569 P570	D519-L583 HydrophobicContact CB-CB 3.59Å; D519-L583 HydrophobicContact CB-CD1 4.49Å; D519-L583 PolarHBondContact N-O 3.1Å; A522-L583 HydrophobicContact CB-CB 4.15Å; A522-L583 HydrophobicContact CB-CD1 3.55Å; A522-L583 HydrophobicContact CB-CG 3.65Å; A522-L583 PolarHBondContact O-N 2.95Å; W524-L583 PolarHBondContact NE1-O 2.84Å; L569-L583 CarbonylContact O-C 3.5Å; L569-L583 WeakPolarHBondContact O-CA 3.35Å; P570-L583 HydrophobicContact CB-CD2 4.02Å
584	V	92.3	Very high	87.2	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.9	172	70.2	0	0	0	0	109.3	V516 W524 L554 S568 L569 I571	V516-V584 HydrophobicContact CB-CG2 3.57Å; V516-V584 HydrophobicContact CG1-CG2 4.22Å; V516-V584 HydrophobicContact CG2-CG2 3.64Å; W524-V584 HydrophobicContact CZ2-CB 4.14Å; W524-V584 HydrophobicContact CZ2-CG2 4.28Å; L554-V584 HydrophobicContact CD2-CG1 4.39Å; L554-V584 HydrophobicContact CD2-CG2 4.15Å; S568-V584 CarbonylContact C-O 3.51Å; S568-V584 WeakPolarHBondContact CA-O 3.29Å; L569-V584 HydrophobicContact CB-CG1 4.17Å; L569-V584 PolarHBondContact N-O 3.22Å; L569-V584 PolarHBondContact O-N 2.79Å; I571-V584 HydrophobicContact CG2-CB 4.27Å; I571-V584 HydrophobicContact CG2-CG1 3.79Å
585	L	90.9	Very high	86.1	Confident	69 Å²	69	51.6 Å²	51.6	36%	0.361	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	115.9	166.1	-179.7	68.5	0	0	0	108.8	N517 G566	N517-L585 HydrophobicContact CB-CB 4.13Å; N517-L585 HydrophobicContact CB-CD2 4.42Å; N517-L585 PolarHBondContact O-N 3.28Å; G566-L585 WeakPolarHBondContact O-CD1 3.33Å
586	C	89.2	Confident	85.2	Confident	4 Å²	4	51 Å²	51	3%	0.027	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-65.5	130.8	-176.2	-72.3	0	0	0	0	112.4	C563 P564 G566 E567	C563-C586 WeakPolarHBondContact CA-SG 3.33Å; C563-C586 HydrophobicContact CB-CB 3.88Å; C563-C586 WeakPolarHBondContact CB-SG 3.27Å; C563-C586 WeakPolarHBondContact SG-CA 3.45Å; C563-C586 WeakPolarHBondContact SG-CB 3.46Å; C563-C586 CovalentContact SG-SG 2.03Å; C563-C586 PolarHBondContact SG-SG 3.49Å; P564-C586 WeakPolarHBondContact O-CB 3.39Å; G566-C586 WeakPolarHBondContact CA-O 3.41Å; G566-C586 PolarHBondContact N-O 3.28Å; E567-C586 WeakPolarHBondContact O-CB 3.48Å; E567-C586 PolarHBondContact O-N 3.22Å
587	P	87	Confident	84	Confident	28 Å²	28	49.5 Å²	49.5	18%	0.182	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-64.9	158.2	171	25.6	-29.5	0	0	0	110.8	V514 V516 I552	V514-P587 HydrophobicContact CG1-CG 4.5Å; V514-P587 HydrophobicContact CG2-CB 4.23Å; V514-P587 HydrophobicContact CG2-CG 3.93Å; V516-P587 HydrophobicContact CG1-CG 4.46Å; I552-P587 HydrophobicContact CD1-CB 4.32Å; I552-P587 HydrophobicContact CD1-CG 3.8Å
588	S	83.6	Confident	82.1	Confident	60 Å²	60	51.9 Å²	51.9	42%	0.42	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-73.7	134.4	175.1	176.9	0	0	0	0	111	D565 N590 G591 A592	D565-S588 WeakPolarHBondContact OD2-CA 3.33Å; D565-S588 PolarHBondContact OD2-OG 2.92Å; S588-N590 PolarHBondContact O-N 2.91Å; S588-G591 PolarHBondContact O-N 2.81Å; S588-G591 VanDerWaalsContact O-N 3.08Å; S588-A592 PolarHBondContact O-N 2.99Å
589	C	83.7	Confident	79.8	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.014	34%	0.336	C	S	.	.	H	α-helix	trans	-57.1	-45.7	177	-176.2	0	0	0	0	112.1	I552 D565 G591 A592 C593 C596	I552-C589 HydrophobicContact CG1-CB 4.32Å; D565-C589 VanDerWaalsContact CG-N 3.29Å; D565-C589 WeakPolarHBondContact OD1-CB 3.14Å; D565-C589 PolarHBondContact OD1-N 3.11Å; D565-C589 PolarHBondContact OD2-N 2.71Å; C589-G591 PolarHBondContact O-N 2.99Å; C589-G591 VanDerWaalsContact O-N 3.08Å; C589-A592 PolarHBondContact O-N 3Å; C589-C593 WeakPolarHBondContact O-CB 3.38Å; C589-C593 PolarHBondContact O-N 3.26Å; C589-C596 HydrophobicContact CB-CB 3.93Å; C589-C596 WeakPolarHBondContact CB-SG 3.41Å; C589-C596 PolarHBondContact O-SG 3.14Å; C589-C596 WeakPolarHBondContact SG-CB 3.31Å; C589-C596 CovalentContact SG-SG 2.03Å; C589-C596 PolarHBondContact SG-SG 3.31Å
590	N	78.5	Confident	77.3	Confident	122 Å²	122	61.1 Å²	61.1	65%	0.652	36%	0.362	S	S	*	.	H	α-helix	trans	-64	-18	-179.9	-71.1	-30.2	0	0	0	113.2	S588 C596	S588-N590 PolarHBondContact O-N 2.91Å; N590-C596 WeakPolarHBondContact OD1-CB 3.38Å
591	G	72.3	Confident	74.5	Confident	51 Å²	51	70.2 Å²	70.2	53%	0.526	40%	0.401	S	S	.	.	H	α-helix	trans	-81.8	-24	174.1	0	0	0	0	0	114	S588 C589	S588-G591 PolarHBondContact O-N 2.81Å; S588-G591 VanDerWaalsContact O-N 3.08Å; C589-G591 PolarHBondContact O-N 2.99Å; C589-G591 VanDerWaalsContact O-N 3.08Å
592	A	77.5	Confident	71.5	Confident	16 Å²	16	70.3 Å²	70.3	13%	0.132	41%	0.413	C	S	.	.	H	α-helix	trans	-113.2	-32	-173.9	0	0	0	0	0	113.8	Y545 I552 S588 C589	Y545-A592 HydrophobicContact CE2-CB 3.87Å; Y545-A592 PolarHBondContact OH-O 2.88Å; I552-A592 HydrophobicContact CD1-CB 3.85Å; S588-A592 PolarHBondContact O-N 2.99Å; C589-A592 PolarHBondContact O-N 3Å
593	C	82.6	Confident	68.5	Low	9 Å²	9	80.4 Å²	80.4	6%	0.061	45%	0.448	C	S	.	.			trans	-117.3	145.4	-169.3	-65	0	0	0	0	112.4	C547 C589	C547-C593 VanDerWaalsContact CA-SG 3.6Å; C547-C593 HydrophobicContact CB-CB 3.8Å; C547-C593 WeakPolarHBondContact CB-SG 3.29Å; C547-C593 WeakPolarHBondContact SG-CA 3.25Å; C547-C593 WeakPolarHBondContact SG-CB 3.41Å; C547-C593 CovalentContact SG-SG 2.03Å; C547-C593 PolarHBondContact SG-SG 3.19Å; C589-C593 WeakPolarHBondContact O-CB 3.38Å; C589-C593 PolarHBondContact O-N 3.26Å
594	N	74.4	Confident	65.3	Low	182 Å²	182	84.3 Å²	84.3	97%	0.973	47%	0.469	S	S	*	.	S	Bend	trans	-76.8	-20.1	178.4	-69.2	-25.1	0	0	0	113.8
595	A	69.9	Low	62.3	Low	76 Å²	76	96.1 Å²	96.1	63%	0.628	51%	0.513	S	S	*	.			trans	-141.1	120.9	-179.4	0	0	0	0	0	109.8
596	C	72.1	Confident	59.2	Low	35 Å²	35	98.3 Å²	98.3	24%	0.236	53%	0.525	C	S	.	.			trans	-131.8	131.6	177.7	-57.8	0	0	0	0	108.4	C589 N590	C589-C596 HydrophobicContact CB-CB 3.93Å; C589-C596 WeakPolarHBondContact CB-SG 3.41Å; C589-C596 PolarHBondContact O-SG 3.14Å; C589-C596 WeakPolarHBondContact SG-CB 3.31Å; C589-C596 CovalentContact SG-SG 2.03Å; C589-C596 PolarHBondContact SG-SG 3.31Å; N590-C596 WeakPolarHBondContact OD1-CB 3.38Å
597	S	60.8	Low	56.4	Low	84 Å²	84	105.2 Å²	105.2	59%	0.587	56%	0.562	S	S	*	*			trans	-92.5	1	-174.3	-32.2	0	0	0	0	113.8	S549 T599	S549-S597 WeakPolarHBondContact CA-OG 3.27Å; S549-S597 WeakPolarHBondContact CB-OG 3.41Å; S549-S597 WeakPolarHBondContact O-CB 3.45Å; S549-S597 PolarHBondContact O-N 3.07Å; S549-S597 PolarHBondContact O-OG 3.33Å; S597-T599 PolarHBondContact O-N 3.29Å
598	Y	50.7	Low	53.7	Low	180 Å²	180	109.2 Å²	109.2	71%	0.706	59%	0.59	S	S	*	*			trans	-96.4	97.5	-175	-121.8	-98.3	0	0	0	110.8	S600	Y598-S600 PolarHBondContact O-N 2.93Å
599	T	43.1	Very low	51.1	Low	126 Å²	126	110.4 Å²	110.4	77%	0.773	60%	0.604	S	S	*	*			trans	-65	110.1	150.4	50.8	0	0	0	0	105.9	S597 F601	S597-T599 PolarHBondContact O-N 3.29Å; T599-F601 PolarHBondContact O-N 3.34Å
600	S	43.6	Very low	48.5	Very low	87 Å²	87	119 Å²	119	61%	0.608	64%	0.641	S	S	*	*			trans	-52.3	118.6	171.9	53.9	0	0	0	0	107.8	Y598 V602	Y598-S600 PolarHBondContact O-N 2.93Å; S600-V602 PolarHBondContact O-N 3.03Å
601	F	33.4	Very low	46.1	Very low	190 Å²	190	121.7 Å²	121.7	83%	0.833	65%	0.65	S	S	*	*			trans	-56.1	97.1	148.1	-101.9	-94.2	0	0	0	103.7	T599 R603	T599-F601 PolarHBondContact O-N 3.34Å; F601-R603 PolarHBondContact O-N 3.42Å
602	V	32	Very low	44.1	Very low	106 Å²	106	126 Å²	126	64%	0.642	66%	0.659	S	S	*	*			trans	-59.3	85.7	160	179.2	0	0	0	0	104	S600 N604	S600-V602 PolarHBondContact O-N 3.03Å; V602-N604 PolarHBondContact O-N 3.43Å
603	R	27.5	Very low	41.9	Very low	225 Å²	225	129 Å²	129	85%	0.849	68%	0.684	S	S	*	*			trans	-61.6	94.2	152.8	-89.2	-171.8	-165.8	-175.6	8.3	102.9	F601 R605	F601-R603 PolarHBondContact O-N 3.42Å; R603-R605 PolarHBondContact O-N 2.94Å
604	N	26.5	Very low	39.5	Very low	118 Å²	118	133.7 Å²	133.7	63%	0.631	72%	0.717	S	S	*	*			trans	-42.3	102	150.8	-93.9	-34.6	0	0	0	105.3	V602 N606	V602-N604 PolarHBondContact O-N 3.43Å; N604-N606 HydrophobicContact CB-CB 4.29Å; N604-N606 PolarHBondContact O-N 2.97Å
605	R	29	Very low	37.7	Very low	249 Å²	249	131 Å²	131	94%	0.94	70%	0.702	S	S	*	*			trans	-69.5	62.2	156.5	-80.8	-171.8	179.2	-176.9	1.9	106.2	R603	R603-R605 PolarHBondContact O-N 2.94Å
606	N	27	Very low	36.1	Very low	114 Å²	114	133 Å²	133	61%	0.61	70%	0.703	S	S	*	*			trans	-87.2	112.5	159.9	-82	-12.8	0	0	0	105.3	N604	N604-N606 HydrophobicContact CB-CB 4.29Å; N604-N606 PolarHBondContact O-N 2.97Å
607	N	28.9	Very low	34.7	Very low	150 Å²	150	137.2 Å²	137.2	80%	0.802	72%	0.723	S	S	*	*			trans	54.8	90.5	155.1	-62.9	-15.5	0	0	0	116.8
608	S	30.9	Very low	34.1	Very low	111 Å²	111	138.6 Å²	138.6	78%	0.776	72%	0.722	S	S	*	*			trans	-144.7	94.2	136.2	-67.2	0	0	0	0	107.2	F610	S608-F610 PolarHBondContact O-N 2.87Å
609	A	29.1	Very low	33.8	Very low	85 Å²	85	135.4 Å²	135.4	70%	0.702	72%	0.717	S	S	*	*			trans	-51.7	100.4	170	0	0	0	0	0	109.9	H611	A609-H611 PolarHBondContact O-N 3.31Å
610	F	29	Very low	33.9	Very low	182 Å²	182	134.8 Å²	134.8	80%	0.798	71%	0.709	S	S	*	*			trans	-86	78.6	150.4	-94	-87.8	0	0	0	106.7	S608 I612	S608-F610 PolarHBondContact O-N 2.87Å; F610-I612 HydrophobicContact CB-CG1 4.43Å; F610-I612 HydrophobicContact CD1-CD1 4.2Å; F610-I612 HydrophobicContact CD1-CG1 4.02Å; F610-I612 PolarHBondContact O-N 3.22Å
611	H	26.8	Very low	34.4	Very low	180 Å²	180	135.4 Å²	135.4	83%	0.833	70%	0.704	S	S	*	*			trans	-63.2	78.7	152.4	-89	-75.6	0	0	0	107.3	A609 A613	A609-H611 PolarHBondContact O-N 3.31Å; H611-A613 VanDerWaalsContact C-N 3.31Å; H611-A613 PolarHBondContact O-N 3.2Å
612	I	31.5	Very low	35.2	Very low	141 Å²	141	131.9 Å²	131.9	72%	0.723	69%	0.69	S	S	*	*			trans	-79.3	99.1	157.1	-61.6	178.8	0	0	0	104.4	F610 S614	F610-I612 HydrophobicContact CB-CG1 4.43Å; F610-I612 HydrophobicContact CD1-CD1 4.2Å; F610-I612 HydrophobicContact CD1-CG1 4.02Å; F610-I612 PolarHBondContact O-N 3.22Å; I612-S614 PolarHBondContact O-N 3.14Å
613	A	31.4	Very low	36	Very low	78 Å²	78	136.2 Å²	136.2	65%	0.645	70%	0.695	S	S	*	*			trans	-42.8	123.3	175.1	0	0	0	0	0	110.5	H611 N615	H611-A613 VanDerWaalsContact C-N 3.31Å; H611-A613 PolarHBondContact O-N 3.2Å; A613-N615 PolarHBondContact O-N 3.14Å
614	S	32.1	Very low	37.5	Very low	108 Å²	108	130.2 Å²	130.2	76%	0.755	68%	0.678	S	S	*	*	S	Bend	trans	-45.5	97.9	159.3	48.9	0	0	0	0	110.4	I612	I612-S614 PolarHBondContact O-N 3.14Å
615	N	35.5	Very low	39.3	Very low	125 Å²	125	129.2 Å²	129.2	67%	0.668	67%	0.672	S	S	*	*			trans	-152.1	9.9	159.1	-112.3	-8.9	0	0	0	115.9	A613	A613-N615 PolarHBondContact O-N 3.14Å
616	N	36.9	Very low	40.7	Very low	119 Å²	119	122.8 Å²	122.8	64%	0.636	66%	0.656	S	S	*	*	S	Bend	trans	-99.5	2.4	174.9	-79.3	-12.3	0	0	0	115.1	I618 L619	N616-I618 VanDerWaalsContact C-N 3.27Å; N616-I618 PolarHBondContact O-N 3.49Å; N616-L619 PolarHBondContact O-N 3.29Å
617	N	43.6	Very low	42.5	Very low	124 Å²	124	125 Å²	125	66%	0.663	66%	0.657	S	S	*	*	H	α-helix	trans	-70.8	-19.8	174.8	-80.8	-12.8	0	0	0	113.5	I621	N617-I621 VanDerWaalsContact O-CD1 3.26Å; N617-I621 WeakPolarHBondContact O-CD1 3.39Å; N617-I621 WeakPolarHBondContact O-CG1 3.17Å; N617-I621 PolarHBondContact O-N 3.07Å
618	I	47.5	Very low	44	Very low	112 Å²	112	122.5 Å²	122.5	57%	0.574	64%	0.643	S	S	*	*	H	α-helix	trans	-77.4	-33	179	-61.2	176.9	0	0	0	111.3	N616 H622	N616-I618 VanDerWaalsContact C-N 3.27Å; N616-I618 PolarHBondContact O-N 3.49Å; I618-H622 PolarHBondContact O-N 3.31Å
619	L	45.3	Very low	45.5	Very low	113 Å²	113	121.2 Å²	121.2	59%	0.592	63%	0.631	S	S	*	*	H	α-helix	trans	-76.5	-35.2	179.5	-75.5	163.2	0	0	0	112.7	N616 H622 W623	N616-L619 PolarHBondContact O-N 3.29Å; L619-H622 PolarHBondContact O-N 3.47Å; L619-W623 PolarHBondContact O-N 3.43Å
620	L	45.4	Very low	46.8	Very low	114 Å²	114	124 Å²	124	60%	0.597	63%	0.627	S	S	*	*	H	α-helix	trans	-69.3	-37.7	177.1	-115.3	97.4	0	0	0	112.6	H622 W623 I624	L620-H622 VanDerWaalsContact C-N 3.33Å; L620-H622 PolarHBondContact O-N 2.98Å; L620-W623 PolarHBondContact O-N 3.11Å; L620-I624 WeakPolarHBondContact O-CG1 3.2Å; L620-I624 PolarHBondContact O-N 2.8Å
621	I	53.4	Low	47.9	Very low	100 Å²	100	118.6 Å²	118.6	51%	0.513	61%	0.607	S	S	.	*	H	α-helix	trans	-66	-38.4	178.1	-65.9	168.8	0	0	0	110.5	N617 W623 I624 I625	N617-I621 VanDerWaalsContact O-CD1 3.26Å; N617-I621 WeakPolarHBondContact O-CD1 3.39Å; N617-I621 WeakPolarHBondContact O-CG1 3.17Å; N617-I621 PolarHBondContact O-N 3.07Å; I621-W623 PolarHBondContact O-N 3.34Å; I621-I624 PolarHBondContact O-N 3.05Å; I621-I625 HydrophobicContact CG2-CD1 3.81Å; I621-I625 HydrophobicContact CG2-CG1 4.48Å; I621-I625 VanDerWaalsContact O-CG1 3.28Å; I621-I625 WeakPolarHBondContact O-CG1 3.36Å; I621-I625 PolarHBondContact O-N 3.48Å; I621-I625 VanDerWaalsContact O-N 3.07Å
622	H	50.7	Low	49	Very low	115 Å²	115	115.9 Å²	115.9	53%	0.532	60%	0.598	S	S	.	*	H	α-helix	trans	-63.5	-39	174.8	-99.7	-81.1	0	0	0	113.1	I618 L619 L620 L626	I618-H622 PolarHBondContact O-N 3.31Å; L619-H622 PolarHBondContact O-N 3.47Å; L620-H622 VanDerWaalsContact C-N 3.33Å; L620-H622 PolarHBondContact O-N 2.98Å; H622-L626 WeakPolarHBondContact O-CB 3.26Å; H622-L626 WeakPolarHBondContact O-CG 3.47Å; H622-L626 PolarHBondContact O-N 3.22Å; H622-L626 VanDerWaalsContact O-N 3.07Å
623	W	47.1	Very low	49.7	Very low	197 Å²	197	117.2 Å²	117.2	75%	0.746	60%	0.595	S	S	*	*	H	α-helix	trans	-68.6	-39.4	177.3	-91	75	0	0	0	112.8	L619 L620 I621 L626 Y627	L619-W623 PolarHBondContact O-N 3.43Å; L620-W623 PolarHBondContact O-N 3.11Å; I621-W623 PolarHBondContact O-N 3.34Å; W623-L626 PolarHBondContact O-N 3.35Å; W623-Y627 WeakPolarHBondContact O-CB 3.37Å; W623-Y627 PolarHBondContact O-N 3.33Å
624	I	59.9	Low	50.8	Low	99 Å²	99	118.1 Å²	118.1	51%	0.508	59%	0.588	S	S	.	*	H	α-helix	trans	-67.2	-39.4	177.7	-65.9	167.3	0	0	0	110.8	L620 I621 N628	L620-I624 WeakPolarHBondContact O-CG1 3.2Å; L620-I624 PolarHBondContact O-N 2.8Å; I621-I624 PolarHBondContact O-N 3.05Å; I624-N628 PolarHBondContact O-N 3.24Å; I624-N628 VanDerWaalsContact O-N 3.11Å; I624-N628 PolarHBondContact O-ND2 3.32Å
625	I	64.1	Low	51.5	Low	97 Å²	97	122 Å²	122	50%	0.497	59%	0.591	S	S	.	*	H	α-helix	trans	-66.4	-45.9	177.3	-65.7	167.6	0	0	0	110.5	I621 Y627 N628 V629	I621-I625 HydrophobicContact CG2-CD1 3.81Å; I621-I625 HydrophobicContact CG2-CG1 4.48Å; I621-I625 VanDerWaalsContact O-CG1 3.28Å; I621-I625 WeakPolarHBondContact O-CG1 3.36Å; I621-I625 PolarHBondContact O-N 3.48Å; I621-I625 VanDerWaalsContact O-N 3.07Å; I625-Y627 PolarHBondContact O-N 2.92Å; I625-N628 PolarHBondContact O-N 3.38Å; I625-V629 HydrophobicContact CG2-CG2 4.33Å; I625-V629 VanDerWaalsContact O-CG2 3.27Å; I625-V629 WeakPolarHBondContact O-CG2 3.49Å; I625-V629 PolarHBondContact O-N 3.47Å
626	L	59.4	Low	51.7	Low	114 Å²	114	123 Å²	123	60%	0.597	60%	0.596	S	S	*	*	H	α-helix	trans	-62.8	-39.9	178.4	-79.1	163	0	0	0	112.5	H622 W623 V629 F630	H622-L626 WeakPolarHBondContact O-CB 3.26Å; H622-L626 WeakPolarHBondContact O-CG 3.47Å; H622-L626 PolarHBondContact O-N 3.22Å; H622-L626 VanDerWaalsContact O-N 3.07Å; W623-L626 PolarHBondContact O-N 3.35Å; L626-V629 PolarHBondContact O-N 3.47Å; L626-F630 WeakPolarHBondContact O-CB 3.28Å; L626-F630 PolarHBondContact O-N 3.46Å
627	Y	64.5	Low	52.6	Low	161 Å²	161	126.3 Å²	126.3	63%	0.631	61%	0.612	S	S	*	*	H	α-helix	trans	-67.3	-35.9	178.4	-164.3	-97.4	0	0	0	112.7	W623 I625 N631	W623-Y627 WeakPolarHBondContact O-CB 3.37Å; W623-Y627 PolarHBondContact O-N 3.33Å; I625-Y627 PolarHBondContact O-N 2.92Å; Y627-N631 WeakPolarHBondContact CD1-ND2 3.41Å; Y627-N631 WeakPolarHBondContact CE1-ND2 3.27Å; Y627-N631 PolarHBondContact O-N 3.49Å; Y627-N631 PolarHBondContact O-ND2 3.41Å
628	N	60	Low	53.1	Low	97 Å²	97	126.4 Å²	126.4	52%	0.519	61%	0.609	S	S	.	*	H	α-helix	trans	-73.4	-38	175.9	-79.5	-73.8	0	0	0	112.4	I624 I625 N631 L632	I624-N628 PolarHBondContact O-N 3.24Å; I624-N628 VanDerWaalsContact O-N 3.11Å; I624-N628 PolarHBondContact O-ND2 3.32Å; I625-N628 PolarHBondContact O-N 3.38Å; N628-N631 PolarHBondContact O-N 3.45Å; N628-L632 PolarHBondContact O-N 3.26Å
629	V	62.7	Low	53.4	Low	85 Å²	85	127.2 Å²	127.2	52%	0.515	61%	0.611	S	S	.	*	H	α-helix	trans	-66.8	-39.2	176.4	176.1	0	0	0	0	111	I625 L626 L632 Y633	I625-V629 HydrophobicContact CG2-CG2 4.33Å; I625-V629 VanDerWaalsContact O-CG2 3.27Å; I625-V629 WeakPolarHBondContact O-CG2 3.49Å; I625-V629 PolarHBondContact O-N 3.47Å; L626-V629 PolarHBondContact O-N 3.47Å; V629-L632 PolarHBondContact O-N 3.07Å; V629-Y633 PolarHBondContact O-N 3Å; V629-Y633 VanDerWaalsContact O-N 3.12Å
630	F	55.7	Low	53.8	Low	144 Å²	144	127.9 Å²	127.9	63%	0.632	61%	0.612	S	S	*	*	H	α-helix	trans	-66.2	-40.5	178.2	-158	-99.7	0	0	0	112.3	L626 Y633 I634	L626-F630 WeakPolarHBondContact O-CB 3.28Å; L626-F630 PolarHBondContact O-N 3.46Å; F630-Y633 PolarHBondContact O-N 3.49Å; F630-I634 HydrophobicContact CD1-CD1 3.83Å; F630-I634 HydrophobicContact CE1-CD1 3.7Å; F630-I634 PolarHBondContact O-N 3.39Å
631	N	53.1	Low	54.3	Low	68 Å²	68	128.8 Å²	128.8	36%	0.364	61%	0.613	S	S	.	*	H	α-helix	trans	-69.7	-31.9	175.5	-81.2	-60.8	0	0	0	113.2	Y627 N628 Y633 F635	Y627-N631 WeakPolarHBondContact CD1-ND2 3.41Å; Y627-N631 WeakPolarHBondContact CE1-ND2 3.27Å; Y627-N631 PolarHBondContact O-N 3.49Å; Y627-N631 PolarHBondContact O-ND2 3.41Å; N628-N631 PolarHBondContact O-N 3.45Å; N631-Y633 VanDerWaalsContact C-N 3.31Å; N631-F635 PolarHBondContact O-N 3.07Å
632	L	48.6	Very low	54.4	Low	123 Å²	123	130.6 Å²	130.6	64%	0.644	62%	0.619	S	S	*	*	H	α-helix	trans	-67.9	-33.8	174.5	-137.5	85	0	0	0	111.9	N628 V629 F635	N628-L632 PolarHBondContact O-N 3.26Å; V629-L632 PolarHBondContact O-N 3.07Å; L632-F635 PolarHBondContact O-N 2.98Å
633	Y	46.1	Very low	54.6	Low	169 Å²	169	131.6 Å²	131.6	66%	0.663	63%	0.625	S	S	*	*	H	α-helix	trans	-71.9	-36.3	179.2	-133.1	-91.7	0	0	0	112.5	V629 F630 N631 F635 L636 I637	V629-Y633 PolarHBondContact O-N 3Å; V629-Y633 VanDerWaalsContact O-N 3.12Å; F630-Y633 PolarHBondContact O-N 3.49Å; N631-Y633 VanDerWaalsContact C-N 3.31Å; Y633-F635 VanDerWaalsContact C-N 3.29Å; Y633-F635 PolarHBondContact O-N 3.12Å; Y633-L636 PolarHBondContact O-N 3.48Å; Y633-I637 HydrophobicContact CD1-CD1 4.15Å; Y633-I637 PolarHBondContact O-N 3.44Å
634	I	54.3	Low	55.2	Low	96 Å²	96	126.9 Å²	126.9	49%	0.492	62%	0.616	S	S	.	*	H	α-helix	trans	-69.6	-27.5	176.1	-66.6	172.4	0	0	0	111.7	F630 L636	F630-I634 HydrophobicContact CD1-CD1 3.83Å; F630-I634 HydrophobicContact CE1-CD1 3.7Å; F630-I634 PolarHBondContact O-N 3.39Å; I634-L636 VanDerWaalsContact C-N 3.32Å
635	F	46.9	Very low	54.8	Low	189 Å²	189	129.1 Å²	129.1	83%	0.829	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-11.9	176.8	-110.8	-83.7	0	0	0	114.3	N631 L632 Y633	N631-F635 PolarHBondContact O-N 3.07Å; L632-F635 PolarHBondContact O-N 2.98Å; Y633-F635 VanDerWaalsContact C-N 3.29Å; Y633-F635 PolarHBondContact O-N 3.12Å
636	L	41.1	Very low	54	Low	148 Å²	148	131.8 Å²	131.8	78%	0.775	64%	0.635	S	S	*	*			trans	-105.8	-4.2	-178.9	-81.8	163.1	0	0	0	113.8	Y633 I634	Y633-L636 PolarHBondContact O-N 3.48Å; I634-L636 VanDerWaalsContact C-N 3.32Å
637	I	55.8	Low	53.5	Low	187 Å²	187	133.4 Å²	133.4	96%	0.959	64%	0.638	S	S	*	*			trans	-100	0	168.1	-60.6	172	0	0	0	107.5	Y633	Y633-I637 HydrophobicContact CD1-CD1 4.15Å; Y633-I637 PolarHBondContact O-N 3.44Å

Retrieved 637 of 637 residues in 722.7 ms (Link to these results)

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