A0A5K4F8T3_SCHMA Loading...

GPI transamidase component PIG-T AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F8T3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 600 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.6	Very low	50	Low	243 Å²	243	147.1 Å²	147.1	100%	1.197	75%	0.747	S	S	*	*				0	86.5	0	-75	171.8	147.2	0	0	109.3	K3	M1-K3 PolarHBondContact O-N 3.03Å
2	K	39.9	Very low	50.6	Low	206 Å²	206	143.1 Å²	143.1	90%	0.896	73%	0.727	S	S	*	*			trans	-83.4	95.6	-179.2	-80.3	179.1	175.1	177.9	0	109.3	N4	K2-N4 PolarHBondContact O-N 2.96Å
3	K	46.5	Very low	51.1	Low	201 Å²	201	134.8 Å²	134.8	87%	0.874	69%	0.694	S	S	*	*			trans	-74	110.2	160.6	-81.9	-176.5	174.8	-179.7	0	106.9	M1 P5	M1-K3 PolarHBondContact O-N 3.03Å; K3-P5 VanDerWaalsContact O-CD 3.23Å; K3-P5 WeakPolarHBondContact O-CD 3.42Å
4	N	49.2	Very low	51.4	Low	132 Å²	132	136.4 Å²	136.4	71%	0.706	69%	0.694	S	S	*	*			trans	-62.5	115.1	176.9	-85.5	-15.4	0	0	0	110.3	K2 M6	K2-N4 PolarHBondContact O-N 2.96Å; N4-M6 PolarHBondContact O-N 2.97Å
5	P	52.9	Low	51.5	Low	112 Å²	112	134.4 Å²	134.4	73%	0.727	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	4.8	175.8	33.6	-31.9	0	0	0	113.2	K3 T7	K3-P5 VanDerWaalsContact O-CD 3.23Å; K3-P5 WeakPolarHBondContact O-CD 3.42Å; P5-T7 PolarHBondContact O-N 3.39Å
6	M	52	Low	51.7	Low	144 Å²	144	133.4 Å²	133.4	71%	0.709	68%	0.68	S	S	*	*	H	α-helix	trans	-77.5	-18.5	-172.4	-100.1	-163.4	155	0	0	115.6	N4	N4-M6 PolarHBondContact O-N 2.97Å
7	T	52.5	Low	51.6	Low	117 Å²	117	135.9 Å²	135.9	72%	0.718	69%	0.685	S	S	*	*	H	α-helix	trans	-75.6	-25.8	177.6	43.3	0	0	0	0	112.9	P5	P5-T7 PolarHBondContact O-N 3.39Å
8	G	51.9	Low	51.3	Low	38 Å²	38	132.1 Å²	132.1	39%	0.392	67%	0.673	S	S	.	*	H	α-helix	trans	-70.4	-34.2	177.6	0	0	0	0	0	113.4	L11 I12	G8-L11 PolarHBondContact O-N 3.36Å; G8-I12 WeakPolarHBondContact O-CG1 3.27Å; G8-I12 PolarHBondContact O-N 2.6Å; G8-I12 VanDerWaalsContact O-N 3.15Å
9	F	55.2	Low	50.8	Low	165 Å²	165	128.5 Å²	128.5	72%	0.724	67%	0.665	S	S	*	*	H	α-helix	trans	-72.4	-37.3	-175	-142.8	-88	0	0	0	112.4	I12 A13	F9-I12 PolarHBondContact O-N 3.23Å; F9-A13 WeakPolarHBondContact O-CB 3.46Å; F9-A13 PolarHBondContact O-N 3.42Å
10	H	55.8	Low	50.5	Low	138 Å²	138	126.5 Å²	126.5	64%	0.639	66%	0.663	S	S	*	*	H	α-helix	trans	-68.3	-35.1	175	-75.3	-62.2	0	0	0	112.4	A13 F14	H10-A13 PolarHBondContact O-N 3.2Å; H10-F14 VanDerWaalsContact O-CB 3.27Å; H10-F14 WeakPolarHBondContact O-CB 3.12Å; H10-F14 PolarHBondContact O-N 2.93Å
11	L	53.7	Low	50.5	Low	122 Å²	122	124.3 Å²	124.3	64%	0.639	66%	0.663	S	S	*	*	H	α-helix	trans	-67.8	-39.5	177	-146.9	103	0	0	0	111.6	G8 F14 L15	G8-L11 PolarHBondContact O-N 3.36Å; L11-F14 PolarHBondContact O-N 3.05Å; L11-L15 HydrophobicContact CD2-CD1 4.33Å; L11-L15 WeakPolarHBondContact O-CB 3.35Å; L11-L15 VanDerWaalsContact O-CG 3.3Å; L11-L15 WeakPolarHBondContact O-CG 3.33Å; L11-L15 PolarHBondContact O-N 2.92Å
12	I	56.8	Low	51.2	Low	99 Å²	99	119.6 Å²	119.6	51%	0.508	63%	0.633	S	S	.	*	H	α-helix	trans	-68.7	-44.2	176	-66.3	166.4	0	0	0	110.7	G8 F9 F14 L15 I16	G8-I12 WeakPolarHBondContact O-CG1 3.27Å; G8-I12 PolarHBondContact O-N 2.6Å; G8-I12 VanDerWaalsContact O-N 3.15Å; F9-I12 PolarHBondContact O-N 3.23Å; I12-F14 VanDerWaalsContact C-N 3.31Å; I12-F14 PolarHBondContact O-N 3.34Å; I12-L15 PolarHBondContact O-N 3.48Å; I12-I16 HydrophobicContact CG2-CD1 3.67Å; I12-I16 HydrophobicContact CG2-CG1 4.33Å; I12-I16 WeakPolarHBondContact O-CB 3.2Å; I12-I16 VanDerWaalsContact O-CG1 3.23Å; I12-I16 WeakPolarHBondContact O-CG1 3.46Å; I12-I16 PolarHBondContact O-N 3.5Å
13	A	57.8	Low	52.6	Low	35 Å²	35	115.1 Å²	115.1	29%	0.289	63%	0.627	S	S	.	*	H	α-helix	trans	-62.7	-39.4	175.9	0	0	0	0	0	111.7	F9 H10 I16 F17	F9-A13 WeakPolarHBondContact O-CB 3.46Å; F9-A13 PolarHBondContact O-N 3.42Å; H10-A13 PolarHBondContact O-N 3.2Å; A13-I16 PolarHBondContact O-N 2.85Å; A13-F17 WeakPolarHBondContact O-CB 3.45Å; A13-F17 WeakPolarHBondContact O-CD2 3.3Å; A13-F17 PolarHBondContact O-N 3.03Å
14	F	54.9	Low	54.4	Low	158 Å²	158	106.2 Å²	106.2	69%	0.693	59%	0.588	S	S	*	*	H	α-helix	trans	-68.6	-35.1	175.8	-147.7	-89.4	0	0	0	111.8	H10 L11 I12 F17 S18	H10-F14 VanDerWaalsContact O-CB 3.27Å; H10-F14 WeakPolarHBondContact O-CB 3.12Å; H10-F14 PolarHBondContact O-N 2.93Å; L11-F14 PolarHBondContact O-N 3.05Å; I12-F14 VanDerWaalsContact C-N 3.31Å; I12-F14 PolarHBondContact O-N 3.34Å; F14-F17 PolarHBondContact O-N 3.16Å; F14-S18 WeakPolarHBondContact O-CB 3.49Å; F14-S18 PolarHBondContact O-N 3.18Å; F14-S18 PolarHBondContact O-OG 2.91Å
15	L	53.6	Low	56.4	Low	106 Å²	106	102.2 Å²	102.2	56%	0.555	57%	0.567	S	S	*	*	H	α-helix	trans	-68.8	-35.9	172	-76.7	166.8	0	0	0	112.5	L11 I12 S18 A19	L11-L15 HydrophobicContact CD2-CD1 4.33Å; L11-L15 WeakPolarHBondContact O-CB 3.35Å; L11-L15 VanDerWaalsContact O-CG 3.3Å; L11-L15 WeakPolarHBondContact O-CG 3.33Å; L11-L15 PolarHBondContact O-N 2.92Å; I12-L15 PolarHBondContact O-N 3.48Å; L15-S18 WeakPolarHBondContact CA-OG 3.41Å; L15-A19 VanDerWaalsContact O-CB 3.32Å; L15-A19 WeakPolarHBondContact O-CB 3.22Å; L15-A19 PolarHBondContact O-N 3.29Å
16	I	54.3	Low	58.5	Low	119 Å²	119	97.2 Å²	97.2	61%	0.61	53%	0.534	S	S	*	.	H	α-helix	trans	-69.6	-37	175.1	-67.6	166.1	0	0	0	110.9	I12 A13	I12-I16 HydrophobicContact CG2-CD1 3.67Å; I12-I16 HydrophobicContact CG2-CG1 4.33Å; I12-I16 WeakPolarHBondContact O-CB 3.2Å; I12-I16 VanDerWaalsContact O-CG1 3.23Å; I12-I16 WeakPolarHBondContact O-CG1 3.46Å; I12-I16 PolarHBondContact O-N 3.5Å; A13-I16 PolarHBondContact O-N 2.85Å
17	F	50.2	Low	60.6	Low	175 Å²	175	91.2 Å²	91.2	77%	0.768	51%	0.505	S	S	*	.	H	α-helix	trans	-83.4	-26.4	177.3	-89.5	-80.5	0	0	0	114.3	A13 F14	A13-F17 WeakPolarHBondContact O-CB 3.45Å; A13-F17 WeakPolarHBondContact O-CD2 3.3Å; A13-F17 PolarHBondContact O-N 3.03Å; F14-F17 PolarHBondContact O-N 3.16Å
18	S	45.8	Very low	62.6	Low	67 Å²	67	85.9 Å²	85.9	47%	0.469	47%	0.471	S	S	.	.	H	α-helix	trans	-87.5	-15.6	176.2	60	0	0	0	0	113.4	F14 L15 S20	F14-S18 WeakPolarHBondContact O-CB 3.49Å; F14-S18 PolarHBondContact O-N 3.18Å; F14-S18 PolarHBondContact O-OG 2.91Å; L15-S18 WeakPolarHBondContact CA-OG 3.41Å; S18-S20 PolarHBondContact O-N 3.2Å
19	A	42.4	Very low	64.8	Low	64 Å²	64	84 Å²	84	53%	0.529	45%	0.453	S	S	.	.			trans	-71.7	65.6	154.7	0	0	0	0	0	108.8	L15 A21	L15-A19 VanDerWaalsContact O-CB 3.32Å; L15-A19 WeakPolarHBondContact O-CB 3.22Å; L15-A19 PolarHBondContact O-N 3.29Å; A19-A21 PolarHBondContact O-N 3.46Å
20	S	43.5	Very low	66.8	Low	88 Å²	88	76.2 Å²	76.2	62%	0.615	42%	0.418	S	S	*	.			trans	-62.2	65.5	150.8	-46	0	0	0	0	106.9	S18 Y22	S18-S20 PolarHBondContact O-N 3.2Å; S20-Y22 VanDerWaalsContact C-N 3.31Å; S20-Y22 PolarHBondContact O-N 2.94Å
21	A	50.6	Low	68.7	Low	82 Å²	82	69.6 Å²	69.6	68%	0.678	39%	0.388	S	S	*	.			trans	-59.2	104.3	170.5	0	0	0	0	0	104	A19 C23	A19-A21 PolarHBondContact O-N 3.46Å; A21-C23 PolarHBondContact O-N 3.09Å
22	Y	56	Low	70.7	Confident	143 Å²	143	63.9 Å²	63.9	56%	0.561	36%	0.358	S	S	*	.			trans	-51.8	113.7	178.2	-85.7	-91.3	0	0	0	107.3	S20	S20-Y22 VanDerWaalsContact C-N 3.31Å; S20-Y22 PolarHBondContact O-N 2.94Å
23	C	68.7	Low	72.4	Confident	113 Å²	113	59.2 Å²	59.2	76%	0.764	33%	0.334	S	S	*	.			trans	-73	138.2	-176.4	-143.1	0	0	0	0	108.3	A21	A21-C23 PolarHBondContact O-N 3.09Å
24	E	85.4	Confident	74	Confident	14 Å²	14	57.6 Å²	57.6	7%	0.065	32%	0.32	C	S	.	.			trans	-65.2	137.4	169.4	-57.3	-172.6	-164.3	0	0	108.3	T49 N61 I62 L63	E24-T49 WeakPolarHBondContact CA-O 3.29Å; E24-N61 PolarHBondContact OE1-N 3.41Å; E24-N61 PolarHBondContact OE2-N 2.9Å; E24-I62 HydrophobicContact CB-CB 4.14Å; E24-I62 HydrophobicContact CB-CD1 3.78Å; E24-I62 HydrophobicContact CB-CG1 4.04Å; E24-I62 VanDerWaalsContact OE2-CA 3.29Å; E24-I62 WeakPolarHBondContact OE2-CA 3.46Å; E24-I62 WeakPolarHBondContact OE2-CB 3.43Å; E24-I62 PolarHBondContact OE2-N 2.85Å; E24-L63 HydrophobicContact CB-CD1 4.22Å; E24-L63 HydrophobicContact CG-CD1 4.29Å; E24-L63 WeakPolarHBondContact OE2-CD1 3.37Å; E24-L63 PolarHBondContact OE2-N 2.96Å
25	N	91.6	Very high	75.7	Confident	48 Å²	48	50 Å²	50	26%	0.257	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.9	177.9	-175.8	57.3	0	0	0	108.9	D27 A48 T49 N273	N25-D27 PolarHBondContact ND2-OD2 2.89Å; N25-A48 CarbonylContact O-C 3.58Å; N25-A48 WeakPolarHBondContact O-CA 3.22Å; N25-T49 PolarHBondContact N-O 3.42Å; N25-T49 PolarHBondContact O-N 2.98Å; N25-N273 WeakPolarHBondContact CA-OD1 3.28Å; N25-N273 WeakPolarHBondContact OD1-CB 3.39Å; N25-N273 PolarHBondContact OD1-ND2 3.38Å; N25-N273 PolarHBondContact OD1-OD1 2.68Å
26	F	95.1	Very high	77.1	Confident	6 Å²	6	45 Å²	45	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	124.2	174.7	177.6	-119.9	0	0	0	110.5	E28 F46 A47 A48 I62 P190 A272 N273	F26-E28 HydrophobicContact CE1-CB 4.36Å; F26-E28 HydrophobicContact CZ-CB 4.21Å; F26-F46 HydrophobicContact CE2-CB 4.06Å; F26-F46 HydrophobicContact CE2-CD1 4.32Å; F26-F46 HydrophobicContact CZ-CB 4.4Å; F26-F46 AromaticContact CZ-CD1 3.82Å; F26-F46 HydrophobicContact CZ-CD1 3.82Å; F26-A47 WeakPolarHBondContact CA-O 3.28Å; F26-A48 HydrophobicContact CD2-CB 4.09Å; F26-I62 HydrophobicContact CB-CD1 4Å; F26-I62 HydrophobicContact CB-CG2 3.74Å; F26-I62 HydrophobicContact CD2-CG2 4.39Å; F26-I62 HydrophobicContact CG-CG2 4.13Å; F26-P190 HydrophobicContact CD1-CB 4.42Å; F26-P190 HydrophobicContact CD1-CG 3.82Å; F26-P190 HydrophobicContact CD2-CG 4.07Å; F26-P190 HydrophobicContact CE1-CB 4.44Å; F26-P190 HydrophobicContact CE1-CG 3.92Å; F26-P190 HydrophobicContact CE2-CG 4.11Å; F26-P190 HydrophobicContact CG-CG 3.93Å; F26-P190 HydrophobicContact CZ-CG 4.06Å; F26-A272 HydrophobicContact CD1-CB 3.62Å; F26-A272 HydrophobicContact CE1-CB 3.96Å; F26-A272 CarbonylContact O-C 3.6Å; F26-A272 WeakPolarHBondContact O-CA 3.16Å; F26-N273 PolarHBondContact N-OD1 3.48Å; F26-N273 PolarHBondContact O-N 3.36Å
27	D	96	Very high	78.5	Confident	19 Å²	19	42 Å²	42	10%	0.102	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.6	176.8	-65.9	-49.3	0	0	0	110	N25 F46 A47 S274	N25-D27 PolarHBondContact ND2-OD2 2.89Å; D27-F46 WeakPolarHBondContact O-CA 3.31Å; D27-A47 PolarHBondContact N-O 3.25Å; D27-A47 PolarHBondContact O-N 3.27Å; D27-S274 WeakPolarHBondContact CA-O 3.13Å; D27-S274 VanDerWaalsContact CG-OG 3.28Å; D27-S274 VanDerWaalsContact OD1-CB 3.32Å; D27-S274 WeakPolarHBondContact OD1-CB 3.44Å; D27-S274 PolarHBondContact OD1-N 3.42Å; D27-S274 VanDerWaalsContact OD1-N 3.12Å; D27-S274 PolarHBondContact OD1-OG 2.87Å
28	E	96.4	Very high	80.3	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.019	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.1	174.7	66.7	171.7	-162.6	0	0	110.9	F26 N45 F46 G196 L197 A272 S274 S275 R276	F26-E28 HydrophobicContact CE1-CB 4.36Å; F26-E28 HydrophobicContact CZ-CB 4.21Å; E28-N45 CarbonylContact C-O 3.51Å; E28-N45 WeakPolarHBondContact CA-O 3.34Å; E28-F46 HydrophobicContact CB-CD1 3.43Å; E28-F46 VanDerWaalsContact CB-CD1 3.43Å; E28-F46 HydrophobicContact CB-CE1 3.62Å; E28-G196 WeakPolarHBondContact OE1-CA 3.39Å; E28-L197 HydrophobicContact CB-CD1 3.96Å; E28-L197 HydrophobicContact CB-CG 4.45Å; E28-L197 HydrophobicContact CG-CB 4.44Å; E28-L197 HydrophobicContact CG-CD1 3.91Å; E28-L197 HydrophobicContact CG-CG 4.02Å; E28-L197 PolarHBondContact OE1-N 3.47Å; E28-L197 PolarHBondContact OE2-N 2.89Å; E28-A272 HydrophobicContact CG-CB 4.33Å; E28-S274 PolarHBondContact N-O 3.31Å; E28-S275 VanDerWaalsContact CD-OG 3.29Å; E28-S275 WeakPolarHBondContact CG-OG 3.39Å; E28-S275 CarbonylContact O-C 3.5Å; E28-S275 WeakPolarHBondContact O-CA 3.41Å; E28-S275 VanDerWaalsContact OE1-CB 3.24Å; E28-S275 WeakPolarHBondContact OE1-CB 3.4Å; E28-S275 PolarHBondContact OE1-OG 2.94Å; E28-R276 PolarHBondContact O-N 3.06Å
29	E	97.1	Very high	82.5	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	141.1	-176	-63.1	174.4	141.8	0	0	111	F44 N45 R276 F278 S491 Y492 S493	E29-F44 CarbonylContact O-C 3.49Å; E29-F44 WeakPolarHBondContact O-CA 3.46Å; E29-N45 HydrophobicContact CB-CB 4.4Å; E29-N45 PolarHBondContact N-O 3.13Å; E29-N45 PolarHBondContact O-N 2.88Å; E29-N45 PolarHBondContact OE2-ND2 3.2Å; E29-R276 CarbonylContact C-O 3.51Å; E29-R276 VanDerWaalsContact CA-O 3.3Å; E29-R276 WeakPolarHBondContact CA-O 3.08Å; E29-R276 HydrophobicContact CG-CB 4.42Å; E29-F278 HydrophobicContact CB-CE2 4.37Å; E29-F278 HydrophobicContact CG-CE2 4.16Å; E29-S491 WeakPolarHBondContact OE1-CB 3.32Å; E29-S491 WeakPolarHBondContact OE2-CA 3.42Å; E29-S491 WeakPolarHBondContact OE2-CB 3.37Å; E29-Y492 PolarHBondContact OE1-N 3.1Å; E29-Y492 WeakPolarHBondContact OE2-CB 3.37Å; E29-Y492 PolarHBondContact OE2-N 3.1Å; E29-S493 VanDerWaalsContact OE1-CB 3.24Å; E29-S493 WeakPolarHBondContact OE1-CB 3.5Å; E29-S493 PolarHBondContact OE1-N 3.39Å; E29-S493 PolarHBondContact OE1-OG 3.47Å
30	L	96.9	Very high	85	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.7	173.3	173.2	60.2	0	0	0	109.4	I32 F42 H43 F44 L197 L200 R276 V277 F278	L30-I32 HydrophobicContact CD1-CG1 4.45Å; L30-I32 HydrophobicContact CD2-CD1 4.12Å; L30-I32 HydrophobicContact CD2-CG1 4.14Å; L30-I32 HydrophobicContact CG-CD1 4.43Å; L30-I32 HydrophobicContact CG-CG1 3.94Å; L30-F42 HydrophobicContact CD1-CB 4.13Å; L30-F42 HydrophobicContact CD1-CD1 4.26Å; L30-H43 CarbonylContact C-O 3.5Å; L30-H43 WeakPolarHBondContact CA-O 3.33Å; L30-F44 HydrophobicContact CD1-CD1 3.95Å; L30-F44 HydrophobicContact CD1-CD2 4.09Å; L30-F44 HydrophobicContact CD1-CE1 3.79Å; L30-F44 HydrophobicContact CD1-CE2 3.93Å; L30-F44 HydrophobicContact CD1-CG 4.1Å; L30-F44 HydrophobicContact CD1-CZ 3.77Å; L30-F44 HydrophobicContact CD2-CE1 4.29Å; L30-F44 HydrophobicContact CD2-CZ 4.48Å; L30-F44 HydrophobicContact CG-CE1 4.47Å; L30-L197 HydrophobicContact CB-CD1 3.9Å; L30-L197 HydrophobicContact CB-CD2 4.06Å; L30-L200 HydrophobicContact CD2-CD1 3.95Å; L30-R276 PolarHBondContact N-O 3.34Å; L30-V277 HydrophobicContact CB-CG1 4.46Å; L30-V277 HydrophobicContact CB-CG2 4.32Å; L30-V277 HydrophobicContact CD2-CG1 4.3Å; L30-V277 HydrophobicContact CG-CG1 4.41Å; L30-V277 CarbonylContact O-C 3.54Å; L30-V277 WeakPolarHBondContact O-CA 3.32Å; L30-F278 PolarHBondContact O-N 3.28Å
31	L	96.4	Very high	87.4	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.6	166.5	-49.1	176.7	0	0	0	109.6	F42 H43 F96 V97 F278 L280 Y492 F496	L31-F42 CarbonylContact O-C 3.58Å; L31-F42 WeakPolarHBondContact O-CA 3.36Å; L31-H43 HydrophobicContact CB-CB 4.17Å; L31-H43 HydrophobicContact CD1-CB 4.43Å; L31-H43 PolarHBondContact N-O 2.88Å; L31-H43 PolarHBondContact O-N 2.82Å; L31-F96 HydrophobicContact CB-CE2 4.48Å; L31-F96 HydrophobicContact CD1-CE2 4.25Å; L31-V97 HydrophobicContact CD1-CG1 4.13Å; L31-F278 CarbonylContact C-O 3.42Å; L31-F278 WeakPolarHBondContact CA-O 3.33Å; L31-F278 HydrophobicContact CD2-CB 3.68Å; L31-F278 HydrophobicContact CD2-CD2 3.76Å; L31-F278 HydrophobicContact CD2-CG 4.02Å; L31-L280 HydrophobicContact CB-CD1 3.92Å; L31-L280 HydrophobicContact CB-CG 4.34Å; L31-L280 HydrophobicContact CD1-CD1 4.21Å; L31-L280 HydrophobicContact CD2-CD2 4.33Å; L31-L280 HydrophobicContact CG-CD1 4.48Å; L31-Y492 HydrophobicContact CD1-CD1 3.96Å; L31-Y492 HydrophobicContact CD1-CD2 3.94Å; L31-Y492 HydrophobicContact CD1-CE1 3.68Å; L31-Y492 HydrophobicContact CD1-CE2 3.65Å; L31-Y492 HydrophobicContact CD1-CG 4.09Å; L31-Y492 HydrophobicContact CD2-CD1 4.27Å; L31-Y492 HydrophobicContact CD2-CD2 4.2Å; L31-Y492 HydrophobicContact CD2-CG 3.96Å; L31-Y492 HydrophobicContact CG-CD2 4.22Å; L31-Y492 HydrophobicContact CG-CE2 4.33Å; L31-Y492 HydrophobicContact CG-CG 4.41Å; L31-F496 HydrophobicContact CD2-CE2 4.39Å
32	I	95	Very high	89.6	Confident	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.2	173.8	-52.7	179.3	0	0	0	107.3	L30 T40 F42 W255 I257 V277 F278 L280	L30-I32 HydrophobicContact CD1-CG1 4.45Å; L30-I32 HydrophobicContact CD2-CD1 4.12Å; L30-I32 HydrophobicContact CD2-CG1 4.14Å; L30-I32 HydrophobicContact CG-CD1 4.43Å; L30-I32 HydrophobicContact CG-CG1 3.94Å; I32-T40 HydrophobicContact CG2-CG2 4.38Å; I32-F42 HydrophobicContact CD1-CD1 4.33Å; I32-F42 HydrophobicContact CD1-CE1 4.05Å; I32-F42 HydrophobicContact CG1-CD1 3.88Å; I32-F42 HydrophobicContact CG1-CE1 4.01Å; I32-F42 HydrophobicContact CG2-CD1 4.27Å; I32-F42 HydrophobicContact CG2-CE1 3.91Å; I32-F42 HydrophobicContact CG2-CZ 4.43Å; I32-W255 HydrophobicContact CG2-CH2 3.89Å; I32-W255 HydrophobicContact CG2-CZ3 4.48Å; I32-I257 HydrophobicContact CD1-CD1 3.51Å; I32-I257 HydrophobicContact CD1-CG1 3.96Å; I32-V277 HydrophobicContact CD1-CG1 3.86Å; I32-V277 HydrophobicContact CG1-CG1 4.35Å; I32-F278 PolarHBondContact N-O 3.11Å; I32-L280 PolarHBondContact O-N 2.82Å
33	K	93.1	Very high	91.6	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.009	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	128.7	178.3	-169	173.8	-177.2	-179.1	0	110.4	L35 A41 F96 L280 A479	K33-L35 HydrophobicContact CD-CD2 4.04Å; K33-L35 HydrophobicContact CG-CD2 4.24Å; K33-A41 PolarHBondContact N-O 2.94Å; K33-A41 PolarHBondContact O-N 2.9Å; K33-F96 HydrophobicContact CB-CE1 4.3Å; K33-F96 HydrophobicContact CB-CZ 4.17Å; K33-F96 HydrophobicContact CD-CB 4.28Å; K33-F96 HydrophobicContact CD-CD1 3.73Å; K33-F96 HydrophobicContact CD-CD2 4.22Å; K33-F96 HydrophobicContact CD-CE1 4.07Å; K33-F96 HydrophobicContact CD-CG 3.82Å; K33-F96 HydrophobicContact CD-CZ 4.48Å; K33-L280 HydrophobicContact CB-CB 4.08Å; K33-L280 HydrophobicContact CB-CD1 4.06Å; K33-L280 HydrophobicContact CD-CB 4.41Å; K33-L280 HydrophobicContact CD-CD1 4.21Å; K33-L280 HydrophobicContact CG-CB 4.09Å; K33-L280 HydrophobicContact CG-CD1 4.46Å; K33-A479 PolarHBondContact NZ-O 3.01Å
34	D	91.2	Very high	93	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	122.7	162.3	-160.6	-38.2	0	0	0	108.6	G36 Y39 R244 M286 T323	D34-G36 VanDerWaalsContact C-N 3.32Å; D34-G36 PolarHBondContact OD1-N 3.1Å; D34-Y39 VanDerWaalsContact OD1-O 3.06Å; D34-R244 VanDerWaalsContact CG-NH1 3.26Å; D34-R244 IonicContact OD1-CZ 3.32Å; D34-R244 IonicContact OD1-NH1 3.47Å; D34-R244 PolarHBondContact OD1-NH1 2.9Å; D34-R244 VanDerWaalsContact OD1-NH1 3.15Å; D34-R244 IonicContact OD1-NH2 2.75Å; D34-R244 PolarHBondContact OD1-NH2 2.75Å; D34-R244 IonicContact OD2-CZ 3.56Å; D34-R244 IonicContact OD2-NH1 2.91Å; D34-R244 PolarHBondContact OD2-NH1 2.89Å; D34-R244 IonicContact OD2-NH2 3.05Å; D34-R244 PolarHBondContact OD2-NH2 2.91Å; D34-M286 HydrophobicContact CB-CE 4.21Å; D34-M286 HydrophobicContact CB-CG 4.22Å; D34-M286 HydrophobicContact CB-SD 4.46Å; D34-T323 WeakPolarHBondContact OD2-CG2 3.38Å
35	L	89.9	Confident	93.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	1.6	-177.8	-63	170.7	0	0	0	111.9	K33 Y39 A41 W88 W92 F96 V241 Y283	K33-L35 HydrophobicContact CD-CD2 4.04Å; K33-L35 HydrophobicContact CG-CD2 4.24Å; L35-Y39 PolarHBondContact N-O 2.77Å; L35-A41 HydrophobicContact CD1-CB 3.71Å; L35-A41 HydrophobicContact CD2-CB 4.38Å; L35-A41 HydrophobicContact CG-CB 4.02Å; L35-W88 HydrophobicContact CD1-CH2 4.41Å; L35-W88 HydrophobicContact CD2-CH2 4.46Å; L35-W92 HydrophobicContact CB-CB 4.24Å; L35-W92 HydrophobicContact CD1-CB 3.84Å; L35-W92 HydrophobicContact CD1-CD2 4.29Å; L35-W92 HydrophobicContact CD1-CG 3.89Å; L35-W92 HydrophobicContact CD2-CB 4.4Å; L35-W92 HydrophobicContact CG-CB 4.39Å; L35-F96 HydrophobicContact CD2-CD1 4.12Å; L35-F96 HydrophobicContact CD2-CE1 4.05Å; L35-V241 HydrophobicContact CD1-CG1 3.68Å; L35-V241 HydrophobicContact CD1-CG2 4.06Å; L35-Y283 WeakPolarHBondContact O-CD2 3.37Å
36	G	84.3	Confident	93.8	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78	171.5	-175.2	0	0	0	0	0	112.7	D34 G38 Y39 E284	D34-G36 VanDerWaalsContact C-N 3.32Å; D34-G36 PolarHBondContact OD1-N 3.1Å; G36-G38 PolarHBondContact O-N 3.12Å; G36-Y39 PolarHBondContact O-N 2.92Å; G36-E284 WeakPolarHBondContact CA-OE1 3.39Å
37	H	82.4	Confident	93.9	Very high	55 Å²	55	5.4 Å²	5.4	26%	0.255	3%	0.026	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	18.3	179.2	-55	-53.4	0	0	0	115	Y39 E284 E327 H332	H37-Y39 HydrophobicContact CB-CD2 4.15Å; H37-Y39 HydrophobicContact CB-CE2 4.28Å; H37-E284 PolarHBondContact N-OE1 3.15Å; H37-E327 IonicContact CE1-OE1 2.89Å; H37-E327 PolarHBondContact CE1-OE1 3.11Å; H37-E327 IonicContact ND1-OE1 2.73Å; H37-H332 AromaticContact CE1-CD2 3.71Å; H37-H332 AromaticContact CE1-NE2 3.77Å; H37-H332 AromaticContact NE2-CD2 3.27Å; H37-H332 PolarHBondContact NE2-CD2 3.15Å; H37-H332 VanDerWaalsContact NE2-CD2 3.27Å; H37-H332 AromaticContact NE2-CG 3.87Å; H37-H332 AromaticContact NE2-NE2 3.7Å
38	G	88.3	Confident	93.8	Very high	2 Å²	2	4.9 Å²	4.9	2%	0.021	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	14	-176.2	0	0	0	0	0	114.9	G36 R244	G36-G38 PolarHBondContact O-N 3.12Å; G38-R244 WeakPolarHBondContact O-CB 3.28Å; G38-R244 VanDerWaalsContact O-CG 3.28Å; G38-R244 WeakPolarHBondContact O-CG 3.4Å; G38-R244 PolarHBondContact O-N 3.26Å
39	Y	92.3	Very high	93.7	Very high	17 Å²	17	5.7 Å²	5.7	7%	0.067	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.3	176.6	-64.5	-78.4	0	0	0	111.9	D34 L35 G36 H37 W92 V241 F242 D243 R244	D34-Y39 VanDerWaalsContact OD1-O 3.06Å; L35-Y39 PolarHBondContact N-O 2.77Å; G36-Y39 PolarHBondContact O-N 2.92Å; H37-Y39 HydrophobicContact CB-CD2 4.15Å; H37-Y39 HydrophobicContact CB-CE2 4.28Å; Y39-W92 HydrophobicContact CD1-CZ2 4.36Å; Y39-W92 AromaticContact CD1-NE1 3.37Å; Y39-W92 AromaticContact CD2-CD1 3.67Å; Y39-W92 AromaticContact CD2-NE1 3.45Å; Y39-W92 HydrophobicContact CE1-CZ2 4.44Å; Y39-W92 AromaticContact CE1-NE1 3.71Å; Y39-W92 AromaticContact CE2-NE1 3.78Å; Y39-W92 AromaticContact CG-CD1 3.67Å; Y39-W92 AromaticContact CG-NE1 3.26Å; Y39-W92 VanDerWaalsContact CG-NE1 3.26Å; Y39-W92 AromaticContact CZ-NE1 3.93Å; Y39-V241 HydrophobicContact CD1-CG1 4.35Å; Y39-F242 VanDerWaalsContact CA-O 3.3Å; Y39-F242 WeakPolarHBondContact CA-O 3.09Å; Y39-D243 HydrophobicContact CD1-CB 3.98Å; Y39-D243 HydrophobicContact CE1-CB 3.55Å; Y39-D243 VanDerWaalsContact CE1-CG 3.49Å; Y39-D243 WeakPolarHBondContact CE1-OD2 3.17Å; Y39-D243 PolarHBondContact OH-OD2 3.44Å; Y39-R244 VanDerWaalsContact C-NH1 3.31Å; Y39-R244 PolarHBondContact O-NH1 3.07Å; Y39-R244 VanDerWaalsContact O-NH1 3.15Å
40	T	93.8	Very high	93.4	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.4	172.4	-54.4	0	0	0	0	110.1	I32 F42 V241 F242 R244 W255 I260	I32-T40 HydrophobicContact CG2-CG2 4.38Å; T40-F42 HydrophobicContact CG2-CD2 4.23Å; T40-F42 HydrophobicContact CG2-CE2 3.56Å; T40-F42 HydrophobicContact CG2-CZ 3.83Å; T40-V241 WeakPolarHBondContact O-CA 3.45Å; T40-F242 PolarHBondContact N-O 2.81Å; T40-F242 PolarHBondContact O-N 3.24Å; T40-R244 WeakPolarHBondContact OG1-CD 3.34Å; T40-R244 PolarHBondContact OG1-NH1 3.05Å; T40-W255 HydrophobicContact CG2-CH2 3.6Å; T40-W255 HydrophobicContact CG2-CZ2 3.88Å; T40-W255 HydrophobicContact CG2-CZ3 4.09Å; T40-I260 HydrophobicContact CG2-CD1 4.41Å
41	A	95.7	Very high	93	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.5	171.3	0	0	0	0	0	112	K33 L35 F96 V240 V241	K33-A41 PolarHBondContact N-O 2.94Å; K33-A41 PolarHBondContact O-N 2.9Å; L35-A41 HydrophobicContact CD1-CB 3.71Å; L35-A41 HydrophobicContact CD2-CB 4.38Å; L35-A41 HydrophobicContact CG-CB 4.02Å; A41-F96 HydrophobicContact CB-CE1 3.64Å; A41-F96 HydrophobicContact CB-CZ 3.75Å; A41-V240 CarbonylContact C-O 3.59Å; A41-V240 VanDerWaalsContact CA-O 3.28Å; A41-V240 WeakPolarHBondContact CA-O 3.41Å; A41-V241 HydrophobicContact CB-CG2 4.06Å
42	F	96.9	Very high	92.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.9	166.3	-60.7	-95.3	0	0	0	107.9	L30 L31 I32 T40 F44 T239 V240 F242 W255 I257 I260 L261	L30-F42 HydrophobicContact CD1-CB 4.13Å; L30-F42 HydrophobicContact CD1-CD1 4.26Å; L31-F42 CarbonylContact O-C 3.58Å; L31-F42 WeakPolarHBondContact O-CA 3.36Å; I32-F42 HydrophobicContact CD1-CD1 4.33Å; I32-F42 HydrophobicContact CD1-CE1 4.05Å; I32-F42 HydrophobicContact CG1-CD1 3.88Å; I32-F42 HydrophobicContact CG1-CE1 4.01Å; I32-F42 HydrophobicContact CG2-CD1 4.27Å; I32-F42 HydrophobicContact CG2-CE1 3.91Å; I32-F42 HydrophobicContact CG2-CZ 4.43Å; T40-F42 HydrophobicContact CG2-CD2 4.23Å; T40-F42 HydrophobicContact CG2-CE2 3.56Å; T40-F42 HydrophobicContact CG2-CZ 3.83Å; F42-F44 HydrophobicContact CB-CE2 4.09Å; F42-T239 CarbonylContact O-C 3.59Å; F42-T239 WeakPolarHBondContact O-CA 3.45Å; F42-V240 HydrophobicContact CB-CG2 3.79Å; F42-V240 HydrophobicContact CD2-CG2 4.34Å; F42-V240 PolarHBondContact N-O 3.44Å; F42-V240 PolarHBondContact O-N 2.99Å; F42-F242 HydrophobicContact CD2-CD2 4.04Å; F42-F242 HydrophobicContact CD2-CE2 4.17Å; F42-F242 HydrophobicContact CE2-CD2 4.18Å; F42-W255 AromaticContact CZ-CZ3 3.95Å; F42-W255 HydrophobicContact CZ-CZ3 3.95Å; F42-I257 HydrophobicContact CE1-CG1 4.29Å; F42-I257 HydrophobicContact CE1-CG2 4.33Å; F42-I260 HydrophobicContact CE2-CB 4.23Å; F42-I260 HydrophobicContact CE2-CD1 4.08Å; F42-I260 HydrophobicContact CE2-CG2 3.77Å; F42-I260 HydrophobicContact CZ-CB 4.35Å; F42-I260 HydrophobicContact CZ-CD1 4.15Å; F42-I260 HydrophobicContact CZ-CG2 4.39Å; F42-L261 HydrophobicContact CD1-CD1 4.05Å; F42-L261 HydrophobicContact CD2-CD2 4.12Å; F42-L261 HydrophobicContact CE1-CD1 4.23Å; F42-L261 HydrophobicContact CE1-CG 4.48Å; F42-L261 HydrophobicContact CE2-CD2 4.38Å; F42-L261 HydrophobicContact CG-CD1 4.37Å; F42-L261 HydrophobicContact CG-CD2 4.3Å; F42-L261 HydrophobicContact CZ-CG 4.49Å
43	H	97.5	Very high	91.9	Very high	5 Å²	5	10.9 Å²	10.9	2%	0.023	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	114.5	175.3	176.2	82.5	0	0	0	109.4	L30 L31 F96 V97 L238 T239 Y492	L30-H43 CarbonylContact C-O 3.5Å; L30-H43 WeakPolarHBondContact CA-O 3.33Å; L31-H43 HydrophobicContact CB-CB 4.17Å; L31-H43 HydrophobicContact CD1-CB 4.43Å; L31-H43 PolarHBondContact N-O 2.88Å; L31-H43 PolarHBondContact O-N 2.82Å; H43-F96 HydrophobicContact CB-CE2 4.24Å; H43-F96 HydrophobicContact CB-CZ 4.35Å; H43-V97 HydrophobicContact CB-CG1 3.98Å; H43-V97 VanDerWaalsContact CG-CG1 3.46Å; H43-L238 WeakPolarHBondContact CA-O 3.45Å; H43-T239 HydrophobicContact CB-CG2 4.33Å; H43-T239 PolarHBondContact ND1-OG1 3.23Å; H43-Y492 AromaticContact CD2-CE2 3.89Å; H43-Y492 AromaticContact NE2-CE2 3.83Å
44	F	97.4	Very high	91.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	129.8	173.3	-61.9	-98.2	0	0	0	108.7	E29 L30 F42 F46 L197 L200 L201 T237 L238 L261	E29-F44 CarbonylContact O-C 3.49Å; E29-F44 WeakPolarHBondContact O-CA 3.46Å; L30-F44 HydrophobicContact CD1-CD1 3.95Å; L30-F44 HydrophobicContact CD1-CD2 4.09Å; L30-F44 HydrophobicContact CD1-CE1 3.79Å; L30-F44 HydrophobicContact CD1-CE2 3.93Å; L30-F44 HydrophobicContact CD1-CG 4.1Å; L30-F44 HydrophobicContact CD1-CZ 3.77Å; L30-F44 HydrophobicContact CD2-CE1 4.29Å; L30-F44 HydrophobicContact CD2-CZ 4.48Å; L30-F44 HydrophobicContact CG-CE1 4.47Å; F42-F44 HydrophobicContact CB-CE2 4.09Å; F44-F46 HydrophobicContact CB-CD2 4.32Å; F44-F46 HydrophobicContact CB-CE2 3.63Å; F44-F46 HydrophobicContact CB-CZ 4.19Å; F44-F46 HydrophobicContact CD1-CE2 4.38Å; F44-F46 HydrophobicContact CD1-CZ 4.16Å; F44-F46 HydrophobicContact CG-CE2 4.37Å; F44-L197 HydrophobicContact CD1-CB 4.25Å; F44-L197 HydrophobicContact CE1-CB 4.41Å; F44-L200 HydrophobicContact CE1-CB 4.02Å; F44-L200 HydrophobicContact CE1-CD1 4.11Å; F44-L200 HydrophobicContact CZ-CB 3.97Å; F44-L200 HydrophobicContact CZ-CD1 4.27Å; F44-L201 HydrophobicContact CD1-CD2 3.93Å; F44-L201 HydrophobicContact CD2-CD2 3.95Å; F44-L201 HydrophobicContact CE1-CD2 3.85Å; F44-L201 HydrophobicContact CE2-CD2 3.89Å; F44-L201 HydrophobicContact CG-CD2 3.99Å; F44-L201 HydrophobicContact CZ-CD2 3.84Å; F44-T237 CarbonylContact O-C 3.57Å; F44-T237 WeakPolarHBondContact O-CA 3.3Å; F44-T237 WeakPolarHBondContact O-CB 3.34Å; F44-L238 HydrophobicContact CB-CB 4.28Å; F44-L238 HydrophobicContact CD2-CB 4.37Å; F44-L238 HydrophobicContact CD2-CD2 4.3Å; F44-L238 PolarHBondContact N-O 2.85Å; F44-L238 PolarHBondContact O-N 2.89Å; F44-L261 HydrophobicContact CZ-CD1 3.99Å
45	N	97.3	Very high	90.7	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.016	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.6	175	-179.7	55	0	0	0	108.9	E28 E29 Y492	E28-N45 CarbonylContact C-O 3.51Å; E28-N45 WeakPolarHBondContact CA-O 3.34Å; E29-N45 HydrophobicContact CB-CB 4.4Å; E29-N45 PolarHBondContact N-O 3.13Å; E29-N45 PolarHBondContact O-N 2.88Å; E29-N45 PolarHBondContact OE2-ND2 3.2Å; N45-Y492 HydrophobicContact CB-CD2 4.11Å; N45-Y492 HydrophobicContact CB-CE2 4.02Å
46	F	97.1	Very high	90.2	Very high	3 Å²	3	19.7 Å²	19.7	1%	0.013	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	116.7	177	-59.7	-81.2	0	0	0	108	F26 D27 E28 F44 W185 L189 L197 L201 M235 E236	F26-F46 HydrophobicContact CE2-CB 4.06Å; F26-F46 HydrophobicContact CE2-CD1 4.32Å; F26-F46 HydrophobicContact CZ-CB 4.4Å; F26-F46 AromaticContact CZ-CD1 3.82Å; F26-F46 HydrophobicContact CZ-CD1 3.82Å; D27-F46 WeakPolarHBondContact O-CA 3.31Å; E28-F46 HydrophobicContact CB-CD1 3.43Å; E28-F46 VanDerWaalsContact CB-CD1 3.43Å; E28-F46 HydrophobicContact CB-CE1 3.62Å; F44-F46 HydrophobicContact CB-CD2 4.32Å; F44-F46 HydrophobicContact CB-CE2 3.63Å; F44-F46 HydrophobicContact CB-CZ 4.19Å; F44-F46 HydrophobicContact CD1-CE2 4.38Å; F44-F46 HydrophobicContact CD1-CZ 4.16Å; F44-F46 HydrophobicContact CG-CE2 4.37Å; F46-W185 AromaticContact CD2-CH2 3.93Å; F46-W185 HydrophobicContact CD2-CH2 3.93Å; F46-W185 AromaticContact CE2-CH2 3.9Å; F46-W185 HydrophobicContact CE2-CH2 3.9Å; F46-L189 HydrophobicContact CB-CD2 3.72Å; F46-L189 HydrophobicContact CD1-CD2 3.88Å; F46-L189 HydrophobicContact CD2-CD1 4.28Å; F46-L189 HydrophobicContact CD2-CD2 3.73Å; F46-L189 HydrophobicContact CE1-CD1 4.22Å; F46-L189 HydrophobicContact CE1-CD2 4.39Å; F46-L189 HydrophobicContact CE2-CD1 3.97Å; F46-L189 HydrophobicContact CE2-CD2 4.27Å; F46-L189 HydrophobicContact CG-CD2 3.51Å; F46-L189 HydrophobicContact CZ-CD1 3.94Å; F46-L197 HydrophobicContact CE1-CB 4Å; F46-L197 HydrophobicContact CZ-CB 4.09Å; F46-L201 HydrophobicContact CE2-CD1 4.31Å; F46-L201 HydrophobicContact CZ-CD1 4.33Å; F46-M235 WeakPolarHBondContact O-CA 3.3Å; F46-E236 HydrophobicContact CB-CB 4.16Å; F46-E236 WeakPolarHBondContact CB-O 3.25Å; F46-E236 PolarHBondContact N-O 2.89Å; F46-E236 PolarHBondContact O-N 2.98Å
47	A	96.2	Very high	90	Very high	2 Å²	2	22.3 Å²	22.3	2%	0.017	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.1	-177.1	0	0	0	0	0	110.2	F26 D27 S490	F26-A47 WeakPolarHBondContact CA-O 3.28Å; D27-A47 PolarHBondContact N-O 3.25Å; D27-A47 PolarHBondContact O-N 3.27Å; A47-S490 VanDerWaalsContact CB-O 3.27Å; A47-S490 WeakPolarHBondContact CB-O 3.28Å
48	A	95	Very high	89.8	Confident	9 Å²	9	27 Å²	27	7%	0.074	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.3	175.7	0	0	0	0	0	110.3	N25 F26 I62 L63 E233 I234	N25-A48 CarbonylContact O-C 3.58Å; N25-A48 WeakPolarHBondContact O-CA 3.22Å; F26-A48 HydrophobicContact CD2-CB 4.09Å; A48-I62 HydrophobicContact CB-CG2 4.26Å; A48-L63 HydrophobicContact CB-CD1 3.89Å; A48-L63 HydrophobicContact CB-CG 3.83Å; A48-E233 CarbonylContact O-C 3.56Å; A48-E233 WeakPolarHBondContact O-CA 3.4Å; A48-I234 PolarHBondContact N-O 2.9Å; A48-I234 PolarHBondContact O-N 3.46Å
49	T	93.1	Very high	89.3	Confident	20 Å²	20	33.7 Å²	33.7	12%	0.123	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	144.8	178.4	61.8	0	0	0	0	112.2	E24 N25 L232 E233	E24-T49 WeakPolarHBondContact CA-O 3.29Å; N25-T49 PolarHBondContact N-O 3.42Å; N25-T49 PolarHBondContact O-N 2.98Å; T49-L232 VanDerWaalsContact CA-O 3.29Å; T49-L232 WeakPolarHBondContact CA-O 3.47Å; T49-E233 HydrophobicContact CG2-CB 3.99Å; T49-E233 HydrophobicContact CG2-CG 3.87Å
50	T	91.3	Very high	88.7	Confident	4 Å²	4	34.7 Å²	34.7	3%	0.025	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	162.1	174.8	-169.2	0	0	0	0	111.7	V54 L63 G231 L232	T50-V54 HydrophobicContact CG2-CG2 4.15Å; T50-V54 VanDerWaalsContact OG1-CG2 3.27Å; T50-V54 WeakPolarHBondContact OG1-CG2 3.2Å; T50-L63 HydrophobicContact CG2-CD1 3.93Å; T50-L63 HydrophobicContact CG2-CD2 3.63Å; T50-L63 HydrophobicContact CG2-CG 4.33Å; T50-G231 CarbonylContact O-C 3.51Å; T50-G231 WeakPolarHBondContact O-CA 3.23Å; T50-L232 HydrophobicContact CG2-CB 4.33Å; T50-L232 PolarHBondContact N-O 2.66Å; T50-L232 PolarHBondContact O-N 3.49Å
51	S	89.3	Confident	88.1	Confident	15 Å²	15	41.4 Å²	41.4	11%	0.105	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	144.6	173	-175.7	0	0	0	0	111.6	S53 V54	S51-S53 WeakPolarHBondContact CB-OG 3.42Å; S51-S53 PolarHBondContact O-N 3.44Å; S51-S53 PolarHBondContact OG-N 2.94Å; S51-S53 PolarHBondContact OG-OG 2.94Å; S51-V54 WeakPolarHBondContact O-CB 3.39Å; S51-V54 WeakPolarHBondContact O-CG2 3.39Å; S51-V54 PolarHBondContact O-N 3.22Å
52	E	85.6	Confident	87.5	Confident	26 Å²	26	43 Å²	43	12%	0.121	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.7	172	-76.1	-151.4	135.1	0	0	113.8	V54 F55 R220 I230 L232	E52-V54 PolarHBondContact O-N 3.3Å; E52-F55 HydrophobicContact CB-CD2 4.1Å; E52-F55 HydrophobicContact CB-CE2 4.23Å; E52-F55 HydrophobicContact CG-CD2 4.38Å; E52-F55 HydrophobicContact CG-CE2 4.01Å; E52-F55 WeakPolarHBondContact O-CD2 3.47Å; E52-F55 PolarHBondContact O-N 2.92Å; E52-F55 VanDerWaalsContact O-N 3.09Å; E52-R220 IonicContact OE1-CZ 3.65Å; E52-R220 IonicContact OE1-NE 2.69Å; E52-R220 PolarHBondContact OE1-NE 2.93Å; E52-R220 IonicContact OE1-NH2 2.96Å; E52-R220 PolarHBondContact OE1-NH2 3Å; E52-I230 HydrophobicContact CG-CB 4.44Å; E52-I230 HydrophobicContact CG-CG2 4.07Å; E52-I230 PolarHBondContact N-O 2.81Å; E52-I230 VanDerWaalsContact N-O 3.17Å; E52-L232 HydrophobicContact CG-CD2 4.21Å; E52-L232 HydrophobicContact CG-CG 4.13Å
53	S	81.4	Confident	86.8	Confident	65 Å²	65	43.2 Å²	43.2	46%	0.455	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-19.7	173.3	64.9	0	0	0	0	113.1	S51 F55 H56 S57	S51-S53 WeakPolarHBondContact CB-OG 3.42Å; S51-S53 PolarHBondContact O-N 3.44Å; S51-S53 PolarHBondContact OG-N 2.94Å; S51-S53 PolarHBondContact OG-OG 2.94Å; S53-F55 VanDerWaalsContact C-N 3.26Å; S53-F55 PolarHBondContact O-N 2.88Å; S53-H56 PolarHBondContact O-N 3.3Å; S53-S57 PolarHBondContact O-N 3.29Å
54	V	79.6	Confident	86.3	Confident	9 Å²	9	43.7 Å²	43.7	6%	0.055	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-30.3	174.5	170.5	0	0	0	0	113.5	T50 S51 E52 H56 S57 K58 H59 Y60	T50-V54 HydrophobicContact CG2-CG2 4.15Å; T50-V54 VanDerWaalsContact OG1-CG2 3.27Å; T50-V54 WeakPolarHBondContact OG1-CG2 3.2Å; S51-V54 WeakPolarHBondContact O-CB 3.39Å; S51-V54 WeakPolarHBondContact O-CG2 3.39Å; S51-V54 PolarHBondContact O-N 3.22Å; E52-V54 PolarHBondContact O-N 3.3Å; V54-H56 PolarHBondContact O-N 3.47Å; V54-S57 WeakPolarHBondContact CA-OG 3.34Å; V54-K58 WeakPolarHBondContact O-CA 3.35Å; V54-K58 PolarHBondContact O-N 3.37Å; V54-H59 WeakPolarHBondContact CG1-O 3.36Å; V54-Y60 HydrophobicContact CG1-CD1 3.31Å; V54-Y60 HydrophobicContact CG1-CE1 3.3Å; V54-Y60 HydrophobicContact CG1-CG 4.23Å
55	F	79.3	Confident	85.9	Confident	14 Å²	14	49 Å²	49	6%	0.061	25%	0.248	C	C	.	.	H	α-helix	trans	-59.9	-35.9	174	-67.9	-61.1	0	0	0	111.9	E52 S53 I68 E72 L232	E52-F55 HydrophobicContact CB-CD2 4.1Å; E52-F55 HydrophobicContact CB-CE2 4.23Å; E52-F55 HydrophobicContact CG-CD2 4.38Å; E52-F55 HydrophobicContact CG-CE2 4.01Å; E52-F55 WeakPolarHBondContact O-CD2 3.47Å; E52-F55 PolarHBondContact O-N 2.92Å; E52-F55 VanDerWaalsContact O-N 3.09Å; S53-F55 VanDerWaalsContact C-N 3.26Å; S53-F55 PolarHBondContact O-N 2.88Å; F55-I68 HydrophobicContact CD1-CG2 3.71Å; F55-I68 HydrophobicContact CE1-CG2 3.25Å; F55-I68 HydrophobicContact CZ-CG2 4.06Å; F55-E72 HydrophobicContact CD1-CB 3.84Å; F55-E72 VanDerWaalsContact CD1-CD 3.49Å; F55-E72 HydrophobicContact CD1-CG 3.87Å; F55-E72 WeakPolarHBondContact CD1-OE2 3.4Å; F55-E72 HydrophobicContact CE1-CB 3.65Å; F55-E72 HydrophobicContact CE1-CG 4.12Å; F55-L232 HydrophobicContact CE1-CD1 4.01Å; F55-L232 HydrophobicContact CE2-CD1 3.6Å; F55-L232 HydrophobicContact CE2-CD2 4.08Å; F55-L232 HydrophobicContact CE2-CG 4.13Å; F55-L232 HydrophobicContact CZ-CD1 3.3Å; F55-L232 HydrophobicContact CZ-CD2 4.01Å; F55-L232 HydrophobicContact CZ-CG 4.15Å
56	H	79.3	Confident	85.7	Confident	165 Å²	165	50.4 Å²	50.4	76%	0.764	26%	0.259	S	S	*	.	H	α-helix	trans	-84.5	-43.3	179.5	-63.3	-58	0	0	0	112.5	S53 V54 K58	S53-H56 PolarHBondContact O-N 3.3Å; V54-H56 PolarHBondContact O-N 3.47Å; H56-K58 VanDerWaalsContact C-N 3.3Å; H56-K58 PolarHBondContact O-N 2.82Å
57	S	80.2	Confident	85.5	Confident	54 Å²	54	50.3 Å²	50.3	38%	0.378	26%	0.258	S	S	.	.	H	α-helix	trans	-70.7	-28	-178.3	76.3	0	0	0	0	112.4	S53 V54 H59	S53-S57 PolarHBondContact O-N 3.29Å; V54-S57 WeakPolarHBondContact CA-OG 3.34Å; S57-H59 PolarHBondContact O-CD2 2.8Å; S57-H59 PolarHBondContact O-N 2.93Å; S57-H59 VanDerWaalsContact O-N 3.1Å; S57-H59 PolarHBondContact OG-N 3.47Å
58	K	79.2	Confident	85.2	Confident	155 Å²	155	50.2 Å²	50.2	67%	0.674	26%	0.257	S	S	*	.			trans	55.2	19.1	-173.3	-58.1	-179.1	179.6	176.1	0	113.8	V54 H56 Y60	V54-K58 WeakPolarHBondContact O-CA 3.35Å; V54-K58 PolarHBondContact O-N 3.37Å; H56-K58 VanDerWaalsContact C-N 3.3Å; H56-K58 PolarHBondContact O-N 2.82Å; K58-Y60 HydrophobicContact CB-CE2 4.35Å; K58-Y60 WeakPolarHBondContact O-CD2 3.5Å; K58-Y60 VanDerWaalsContact O-CE2 3.3Å; K58-Y60 WeakPolarHBondContact O-CE2 3.43Å
59	H	78.5	Confident	85	Confident	141 Å²	141	53.7 Å²	53.7	65%	0.653	27%	0.272	S	S	*	.			trans	-98.2	116.8	173.5	-70.7	-68.6	0	0	0	108.4	V54 S57	V54-H59 WeakPolarHBondContact CG1-O 3.36Å; S57-H59 PolarHBondContact O-CD2 2.8Å; S57-H59 PolarHBondContact O-N 2.93Å; S57-H59 VanDerWaalsContact O-N 3.1Å; S57-H59 PolarHBondContact OG-N 3.47Å
60	Y	79.6	Confident	85	Confident	39 Å²	39	53.5 Å²	53.5	15%	0.153	27%	0.27	C	S	.	.			trans	-121.8	119.2	-179.3	-48.4	-88.8	0	0	0	107.4	V54 K58 K65 I68	V54-Y60 HydrophobicContact CG1-CD1 3.31Å; V54-Y60 HydrophobicContact CG1-CE1 3.3Å; V54-Y60 HydrophobicContact CG1-CG 4.23Å; K58-Y60 HydrophobicContact CB-CE2 4.35Å; K58-Y60 WeakPolarHBondContact O-CD2 3.5Å; K58-Y60 VanDerWaalsContact O-CE2 3.3Å; K58-Y60 WeakPolarHBondContact O-CE2 3.43Å; Y60-K65 HydrophobicContact CD2-CB 3.96Å; Y60-K65 HydrophobicContact CD2-CD 3.99Å; Y60-K65 HydrophobicContact CD2-CG 3.81Å; Y60-K65 HydrophobicContact CE2-CB 4.35Å; Y60-K65 HydrophobicContact CE2-CD 4.07Å; Y60-K65 HydrophobicContact CE2-CG 3.76Å; Y60-K65 HydrophobicContact CG-CB 4.1Å; Y60-K65 HydrophobicContact CG-CG 4.41Å; Y60-I68 HydrophobicContact CD1-CD1 3.62Å; Y60-I68 HydrophobicContact CE1-CB 4.02Å; Y60-I68 HydrophobicContact CE1-CD1 3.84Å; Y60-I68 HydrophobicContact CE1-CG2 3.8Å
61	N	81.1	Confident	85	Confident	140 Å²	140	53.5 Å²	53.5	75%	0.749	27%	0.27	S	S	*	.	S	Bend	trans	-97.9	-61.6	-178.6	-74.8	-11.4	0	0	0	111.7	E24	E24-N61 PolarHBondContact OE1-N 3.41Å; E24-N61 PolarHBondContact OE2-N 2.9Å
62	I	82.9	Confident	85.1	Confident	33 Å²	33	57 Å²	57	17%	0.169	29%	0.285	C	S	.	.	S	Bend	trans	-98.6	-48.4	-176.7	-59.8	-179.7	0	0	0	109.3	E24 F26 A48 P190	E24-I62 HydrophobicContact CB-CB 4.14Å; E24-I62 HydrophobicContact CB-CD1 3.78Å; E24-I62 HydrophobicContact CB-CG1 4.04Å; E24-I62 VanDerWaalsContact OE2-CA 3.29Å; E24-I62 WeakPolarHBondContact OE2-CA 3.46Å; E24-I62 WeakPolarHBondContact OE2-CB 3.43Å; E24-I62 PolarHBondContact OE2-N 2.85Å; F26-I62 HydrophobicContact CB-CD1 4Å; F26-I62 HydrophobicContact CB-CG2 3.74Å; F26-I62 HydrophobicContact CD2-CG2 4.39Å; F26-I62 HydrophobicContact CG-CG2 4.13Å; A48-I62 HydrophobicContact CB-CG2 4.26Å; I62-P190 HydrophobicContact CG2-CB 4.41Å; I62-P190 HydrophobicContact CG2-CG 3.43Å; I62-P190 VanDerWaalsContact CG2-CG 3.43Å
63	L	82	Confident	85.4	Confident	5 Å²	5	63 Å²	63	3%	0.026	31%	0.311	C	S	.	.	S	Bend	trans	-72.4	140.5	-171.8	-77.8	82.5	0	0	0	112.5	E24 A48 T50 K65 I68 I234	E24-L63 HydrophobicContact CB-CD1 4.22Å; E24-L63 HydrophobicContact CG-CD1 4.29Å; E24-L63 WeakPolarHBondContact OE2-CD1 3.37Å; E24-L63 PolarHBondContact OE2-N 2.96Å; A48-L63 HydrophobicContact CB-CD1 3.89Å; A48-L63 HydrophobicContact CB-CG 3.83Å; T50-L63 HydrophobicContact CG2-CD1 3.93Å; T50-L63 HydrophobicContact CG2-CD2 3.63Å; T50-L63 HydrophobicContact CG2-CG 4.33Å; L63-K65 PolarHBondContact O-N 2.8Å; L63-K65 VanDerWaalsContact O-N 3.08Å; L63-I68 HydrophobicContact CB-CD1 3.59Å; L63-I68 HydrophobicContact CD2-CD1 4.06Å; L63-I68 HydrophobicContact CG-CD1 4.49Å; L63-I234 HydrophobicContact CB-CD1 4.4Å; L63-I234 HydrophobicContact CD2-CB 4.44Å; L63-I234 HydrophobicContact CD2-CD1 3.87Å; L63-I234 HydrophobicContact CD2-CG1 3.99Å; L63-I234 HydrophobicContact CG-CD1 4.38Å
64	P	87.9	Confident	86	Confident	15 Å²	15	61.4 Å²	61.4	10%	0.097	30%	0.295	C	S	.	.			trans	-69.4	109.4	-177.7	28.2	-38.2	0	0	0	113.1	S66 I67 I68 Y188 I234	P64-S66 PolarHBondContact O-N 2.61Å; P64-S66 VanDerWaalsContact O-N 3.08Å; P64-I67 HydrophobicContact CB-CG1 4.28Å; P64-I67 HydrophobicContact CG-CB 4.19Å; P64-I67 HydrophobicContact CG-CG1 3.95Å; P64-I67 PolarHBondContact O-N 3.19Å; P64-I68 PolarHBondContact O-N 3.39Å; P64-Y188 HydrophobicContact CB-CD1 3.15Å; P64-Y188 HydrophobicContact CB-CE1 3.65Å; P64-Y188 HydrophobicContact CB-CG 3.94Å; P64-Y188 HydrophobicContact CG-CD1 3.9Å; P64-Y188 HydrophobicContact CG-CG 4.21Å; P64-I234 HydrophobicContact CG-CD1 3.74Å
65	K	89.3	Confident	86.5	Confident	111 Å²	111	64 Å²	64	48%	0.483	31%	0.308	S	S	.	.	H	α-helix	trans	-44.1	-44.2	178	176.6	176.7	177.5	179.5	0	114.1	Y60 L63 I67 I68 Q69	Y60-K65 HydrophobicContact CD2-CB 3.96Å; Y60-K65 HydrophobicContact CD2-CD 3.99Å; Y60-K65 HydrophobicContact CD2-CG 3.81Å; Y60-K65 HydrophobicContact CE2-CB 4.35Å; Y60-K65 HydrophobicContact CE2-CD 4.07Å; Y60-K65 HydrophobicContact CE2-CG 3.76Å; Y60-K65 HydrophobicContact CG-CB 4.1Å; Y60-K65 HydrophobicContact CG-CG 4.41Å; L63-K65 PolarHBondContact O-N 2.8Å; L63-K65 VanDerWaalsContact O-N 3.08Å; K65-I67 VanDerWaalsContact C-N 3.32Å; K65-I67 PolarHBondContact O-N 3.1Å; K65-I68 PolarHBondContact O-N 3.48Å; K65-Q69 HydrophobicContact CG-CG 4.09Å; K65-Q69 WeakPolarHBondContact O-CB 3.43Å; K65-Q69 VanDerWaalsContact O-CG 3.22Å; K65-Q69 WeakPolarHBondContact O-CG 3.44Å; K65-Q69 PolarHBondContact O-N 3.43Å
66	S	92	Very high	87.2	Confident	34 Å²	34	63.3 Å²	63.3	24%	0.238	31%	0.305	C	S	.	.	H	α-helix	trans	-62.6	-37.6	-176.6	55.4	0	0	0	0	112.9	P64 I70 Y188	P64-S66 PolarHBondContact O-N 2.61Å; P64-S66 VanDerWaalsContact O-N 3.08Å; S66-I70 WeakPolarHBondContact O-CB 3.2Å; S66-I70 WeakPolarHBondContact O-CD1 3.32Å; S66-I70 WeakPolarHBondContact O-CG1 3.35Å; S66-I70 PolarHBondContact O-N 2.99Å; S66-I70 VanDerWaalsContact O-N 3.1Å; S66-Y188 WeakPolarHBondContact OG-CE1 3.24Å; S66-Y188 PolarHBondContact OG-OH 3.3Å
67	I	93	Very high	87.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-70.9	-46	-179.3	-61.3	-60.8	0	0	0	110.2	P64 K65 Q69 I70 S71 F79 L131 F132 Y188 I216 I218 I234	P64-I67 HydrophobicContact CB-CG1 4.28Å; P64-I67 HydrophobicContact CG-CB 4.19Å; P64-I67 HydrophobicContact CG-CG1 3.95Å; P64-I67 PolarHBondContact O-N 3.19Å; K65-I67 VanDerWaalsContact C-N 3.32Å; K65-I67 PolarHBondContact O-N 3.1Å; I67-Q69 VanDerWaalsContact C-N 3.35Å; I67-Q69 PolarHBondContact O-N 3.31Å; I67-I70 PolarHBondContact O-N 3.35Å; I67-S71 PolarHBondContact O-N 3.47Å; I67-F79 HydrophobicContact CD1-CZ 4.4Å; I67-F79 HydrophobicContact CG2-CE1 3.98Å; I67-F79 HydrophobicContact CG2-CZ 3.84Å; I67-L131 HydrophobicContact CD1-CD1 3.89Å; I67-F132 HydrophobicContact CD1-CE2 4.3Å; I67-F132 HydrophobicContact CD1-CZ 4.35Å; I67-Y188 HydrophobicContact CD1-CE2 4.24Å; I67-Y188 HydrophobicContact CG1-CE1 4.33Å; I67-Y188 HydrophobicContact CG1-CE2 4.45Å; I67-I216 HydrophobicContact CD1-CD1 4.23Å; I67-I216 HydrophobicContact CG1-CD1 4.26Å; I67-I218 HydrophobicContact CG2-CB 4.44Å; I67-I218 HydrophobicContact CG2-CD1 4.31Å; I67-I234 HydrophobicContact CB-CD1 4.09Å; I67-I234 HydrophobicContact CG2-CD1 3.81Å; I67-I234 HydrophobicContact CG2-CG1 4.45Å
68	I	90.4	Very high	88.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-44.7	178.5	-62.3	170.3	0	0	0	110.6	F55 Y60 L63 P64 K65 I70 S71 E72 L232 I234	F55-I68 HydrophobicContact CD1-CG2 3.71Å; F55-I68 HydrophobicContact CE1-CG2 3.25Å; F55-I68 HydrophobicContact CZ-CG2 4.06Å; Y60-I68 HydrophobicContact CD1-CD1 3.62Å; Y60-I68 HydrophobicContact CE1-CB 4.02Å; Y60-I68 HydrophobicContact CE1-CD1 3.84Å; Y60-I68 HydrophobicContact CE1-CG2 3.8Å; L63-I68 HydrophobicContact CB-CD1 3.59Å; L63-I68 HydrophobicContact CD2-CD1 4.06Å; L63-I68 HydrophobicContact CG-CD1 4.49Å; P64-I68 PolarHBondContact O-N 3.39Å; K65-I68 PolarHBondContact O-N 3.48Å; I68-I70 VanDerWaalsContact C-N 3.34Å; I68-I70 PolarHBondContact O-N 3.02Å; I68-S71 PolarHBondContact O-N 3.47Å; I68-E72 PolarHBondContact O-N 2.96Å; I68-L232 HydrophobicContact CG1-CD1 4.39Å; I68-L232 HydrophobicContact CG2-CD1 4.03Å; I68-I234 HydrophobicContact CG1-CD1 4.18Å
69	Q	91.3	Very high	89.4	Confident	83 Å²	83	46.8 Å²	46.8	39%	0.388	23%	0.226	S	C	.	.	H	α-helix	trans	-63.8	-36.9	178.8	-74.6	-173.2	-27.1	0	0	113	K65 I67 K73	K65-Q69 HydrophobicContact CG-CG 4.09Å; K65-Q69 WeakPolarHBondContact O-CB 3.43Å; K65-Q69 VanDerWaalsContact O-CG 3.22Å; K65-Q69 WeakPolarHBondContact O-CG 3.44Å; K65-Q69 PolarHBondContact O-N 3.43Å; I67-Q69 VanDerWaalsContact C-N 3.35Å; I67-Q69 PolarHBondContact O-N 3.31Å; Q69-K73 WeakPolarHBondContact O-CB 3.4Å; Q69-K73 PolarHBondContact O-N 3.43Å
70	I	93.1	Very high	90.3	Very high	16 Å²	16	41.5 Å²	41.5	8%	0.082	20%	0.201	C	C	.	.	H	α-helix	trans	-66.3	-43.1	175.2	-75.3	168.1	0	0	0	110.4	S66 I67 I68 Y74 L124 A127 L131	S66-I70 WeakPolarHBondContact O-CB 3.2Å; S66-I70 WeakPolarHBondContact O-CD1 3.32Å; S66-I70 WeakPolarHBondContact O-CG1 3.35Å; S66-I70 PolarHBondContact O-N 2.99Å; S66-I70 VanDerWaalsContact O-N 3.1Å; I67-I70 PolarHBondContact O-N 3.35Å; I68-I70 VanDerWaalsContact C-N 3.34Å; I68-I70 PolarHBondContact O-N 3.02Å; I70-Y74 HydrophobicContact CB-CD2 4.43Å; I70-Y74 HydrophobicContact CB-CE2 4.42Å; I70-Y74 HydrophobicContact CG1-CE2 4.27Å; I70-Y74 HydrophobicContact CG2-CD2 3.74Å; I70-Y74 HydrophobicContact CG2-CE2 3.97Å; I70-Y74 WeakPolarHBondContact O-CD2 2.95Å; I70-Y74 PolarHBondContact O-N 3.4Å; I70-Y74 VanDerWaalsContact O-N 3.14Å; I70-L124 HydrophobicContact CG2-CD1 3.44Å; I70-L124 VanDerWaalsContact CG2-CD1 3.44Å; I70-A127 HydrophobicContact CD1-CB 3.71Å; I70-A127 HydrophobicContact CG1-CB 4.11Å; I70-L131 HydrophobicContact CD1-CD1 3.3Å; I70-L131 HydrophobicContact CD1-CG 4.26Å
71	S	91	Very high	91.2	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-47.9	177.4	165.2	0	0	0	0	111.6	I67 I68 N75 V76	I67-S71 PolarHBondContact O-N 3.47Å; I68-S71 PolarHBondContact O-N 3.47Å; S71-N75 PolarHBondContact O-N 3.48Å; S71-V76 PolarHBondContact O-N 2.84Å; S71-V76 PolarHBondContact OG-O 2.86Å
72	E	90.3	Very high	91.9	Very high	90 Å²	90	33.5 Å²	33.5	42%	0.421	16%	0.161	S	C	.	.	H	α-helix	trans	-65.1	-50.9	178.1	-167.1	-179.2	-172.5	0	0	112.1	F55 I68 Y74 N75	F55-E72 HydrophobicContact CD1-CB 3.84Å; F55-E72 VanDerWaalsContact CD1-CD 3.49Å; F55-E72 HydrophobicContact CD1-CG 3.87Å; F55-E72 WeakPolarHBondContact CD1-OE2 3.4Å; F55-E72 HydrophobicContact CE1-CB 3.65Å; F55-E72 HydrophobicContact CE1-CG 4.12Å; I68-E72 PolarHBondContact O-N 2.96Å; E72-Y74 VanDerWaalsContact C-N 3.28Å; E72-Y74 PolarHBondContact O-N 2.73Å; E72-N75 PolarHBondContact O-N 2.95Å
73	K	92.1	Very high	92.7	Very high	151 Å²	151	31.9 Å²	31.9	66%	0.657	15%	0.153	S	C	*	.	H	α-helix	trans	-64.5	-30.5	-172.6	-176.1	178	-178.8	177.7	0	113.4	Q69	Q69-K73 WeakPolarHBondContact O-CB 3.4Å; Q69-K73 PolarHBondContact O-N 3.43Å
74	Y	93.1	Very high	93.4	Very high	32 Å²	32	31.7 Å²	31.7	13%	0.125	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	11.7	-177.1	-53.1	-42.9	0	0	0	113.4	I70 E72 V76 S120 K123 L124 A127	I70-Y74 HydrophobicContact CB-CD2 4.43Å; I70-Y74 HydrophobicContact CB-CE2 4.42Å; I70-Y74 HydrophobicContact CG1-CE2 4.27Å; I70-Y74 HydrophobicContact CG2-CD2 3.74Å; I70-Y74 HydrophobicContact CG2-CE2 3.97Å; I70-Y74 WeakPolarHBondContact O-CD2 2.95Å; I70-Y74 PolarHBondContact O-N 3.4Å; I70-Y74 VanDerWaalsContact O-N 3.14Å; E72-Y74 VanDerWaalsContact C-N 3.28Å; E72-Y74 PolarHBondContact O-N 2.73Å; Y74-V76 PolarHBondContact O-N 3.36Å; Y74-S120 VanDerWaalsContact O-CB 3.3Å; Y74-S120 WeakPolarHBondContact O-CB 3.48Å; Y74-S120 PolarHBondContact O-OG 2.87Å; Y74-S120 VanDerWaalsContact O-OG 3.11Å; Y74-K123 HydrophobicContact CD1-CB 3.73Å; Y74-K123 HydrophobicContact CD1-CD 3.91Å; Y74-K123 HydrophobicContact CD1-CG 4.46Å; Y74-K123 HydrophobicContact CD2-CB 4.33Å; Y74-K123 HydrophobicContact CE1-CB 3.49Å; Y74-K123 VanDerWaalsContact CE1-CB 3.49Å; Y74-K123 HydrophobicContact CE1-CD 3.7Å; Y74-K123 HydrophobicContact CE1-CG 4.11Å; Y74-K123 HydrophobicContact CE2-CB 4.14Å; Y74-K123 HydrophobicContact CG-CB 4.15Å; Y74-L124 HydrophobicContact CD2-CB 4.45Å; Y74-A127 HydrophobicContact CE2-CB 4Å
75	N	91.9	Very high	93.7	Very high	62 Å²	62	35.8 Å²	35.8	33%	0.332	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	39	178.6	-61.5	46.2	0	0	0	112.7	S71 E72 G111 T114	S71-N75 PolarHBondContact O-N 3.48Å; E72-N75 PolarHBondContact O-N 2.95Å; N75-G111 PolarHBondContact O-N 3.39Å; N75-G111 VanDerWaalsContact O-N 3.12Å; N75-T114 HydrophobicContact CB-CG2 4.48Å; N75-T114 VanDerWaalsContact CB-OG1 3.3Å; N75-T114 WeakPolarHBondContact CB-OG1 3.27Å
76	V	93.4	Very high	93.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	114.7	177.7	-179.9	0	0	0	0	107.9	S71 Y74 E78 F79 A108 F110 L124	S71-V76 PolarHBondContact O-N 2.84Å; S71-V76 PolarHBondContact OG-O 2.86Å; Y74-V76 PolarHBondContact O-N 3.36Å; V76-E78 WeakPolarHBondContact CG1-O 3.49Å; V76-F79 HydrophobicContact CG1-CB 3.91Å; V76-F79 HydrophobicContact CG1-CD1 4.01Å; V76-F79 HydrophobicContact CG1-CG 4.46Å; V76-A108 HydrophobicContact CG1-CB 4.18Å; V76-F110 HydrophobicContact CG2-CD1 4.09Å; V76-F110 HydrophobicContact CG2-CE1 3.6Å; V76-F110 HydrophobicContact CG2-CZ 4.3Å; V76-L124 HydrophobicContact CG1-CD2 4.43Å; V76-L124 HydrophobicContact CG2-CD1 4.15Å; V76-L124 HydrophobicContact CG2-CD2 3.87Å; V76-L124 HydrophobicContact CG2-CG 4.43Å
77	D	92.1	Very high	94	Very high	25 Å²	25	34.2 Å²	34.2	13%	0.134	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-34.7	179	-74.6	-13.2	0	0	0	112	W109 G111 R154 R220	D77-W109 PolarHBondContact N-O 2.91Å; D77-G111 WeakPolarHBondContact OD2-CA 2.86Å; D77-G111 PolarHBondContact OD2-N 3.14Å; D77-R154 IonicContact OD2-CZ 3.25Å; D77-R154 IonicContact OD2-NH2 3.17Å; D77-R220 VanDerWaalsContact CA-NH1 3.25Å; D77-R220 IonicContact OD1-CZ 2.67Å; D77-R220 IonicContact OD1-NH1 3.34Å; D77-R220 PolarHBondContact OD1-NH1 3.29Å
78	E	94.9	Very high	93.9	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.014	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	139.1	-177.9	174.5	176.8	162.3	0	0	108.3	V76 H80 W107 A108 W109 R154 F155 G156 I218 R219	V76-E78 WeakPolarHBondContact CG1-O 3.49Å; E78-H80 VanDerWaalsContact CG-NE2 3.31Å; E78-H80 WeakPolarHBondContact CG-NE2 3.47Å; E78-H80 IonicContact OE1-CD2 3.46Å; E78-H80 IonicContact OE1-CE1 3.57Å; E78-H80 IonicContact OE1-NE2 3.86Å; E78-H80 PolarHBondContact OE1-NE2 2.92Å; E78-W107 VanDerWaalsContact OE1-CH2 3.3Å; E78-W107 WeakPolarHBondContact OE1-CH2 3.22Å; E78-A108 CarbonylContact O-C 3.59Å; E78-A108 WeakPolarHBondContact O-CA 3.29Å; E78-W109 HydrophobicContact CB-CB 4.38Å; E78-W109 PolarHBondContact N-O 2.88Å; E78-W109 PolarHBondContact O-N 2.88Å; E78-R154 WeakPolarHBondContact OE2-CA 3.23Å; E78-R154 WeakPolarHBondContact OE2-CB 3.34Å; E78-F155 WeakPolarHBondContact OE1-CB 3.25Å; E78-F155 PolarHBondContact OE1-N 2.84Å; E78-F155 PolarHBondContact OE2-N 3.49Å; E78-G156 PolarHBondContact OE2-N 2.9Å; E78-I218 VanDerWaalsContact CA-O 3.23Å; E78-I218 WeakPolarHBondContact CA-O 3.27Å; E78-I218 WeakPolarHBondContact CG-O 3.28Å; E78-R219 HydrophobicContact CG-CB 3.96Å
79	F	97.1	Very high	93.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	156.1	166	78	-97.8	0	0	0	110.9	I67 V76 L106 W107 A108 L128 G217 I218	I67-F79 HydrophobicContact CD1-CZ 4.4Å; I67-F79 HydrophobicContact CG2-CE1 3.98Å; I67-F79 HydrophobicContact CG2-CZ 3.84Å; V76-F79 HydrophobicContact CG1-CB 3.91Å; V76-F79 HydrophobicContact CG1-CD1 4.01Å; V76-F79 HydrophobicContact CG1-CG 4.46Å; F79-L106 HydrophobicContact CD2-CD1 4.43Å; F79-W107 CarbonylContact C-O 3.54Å; F79-W107 VanDerWaalsContact CA-O 3.27Å; F79-W107 WeakPolarHBondContact CA-O 3.47Å; F79-A108 HydrophobicContact CB-CB 3.74Å; F79-L128 HydrophobicContact CD2-CD1 4.26Å; F79-L128 HydrophobicContact CE2-CD1 4.31Å; F79-L128 HydrophobicContact CE2-CD2 4.1Å; F79-L128 HydrophobicContact CZ-CD2 4.1Å; F79-G217 CarbonylContact O-C 3.58Å; F79-G217 WeakPolarHBondContact O-CA 3.12Å; F79-I218 HydrophobicContact CD1-CG2 3.27Å; F79-I218 HydrophobicContact CE1-CB 4.2Å; F79-I218 HydrophobicContact CE1-CG2 3.27Å; F79-I218 HydrophobicContact CG-CG2 4.13Å; F79-I218 HydrophobicContact CZ-CG2 4.11Å; F79-I218 PolarHBondContact N-O 3.09Å; F79-I218 VanDerWaalsContact N-O 3.11Å; F79-I218 PolarHBondContact O-N 2.65Å
80	H	97.7	Very high	93.7	Very high	29 Å²	29	36.7 Å²	36.7	13%	0.134	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	122.7	176.8	-61.8	-95.8	0	0	0	108.9	E78 L106 W107 F155	E78-H80 VanDerWaalsContact CG-NE2 3.31Å; E78-H80 WeakPolarHBondContact CG-NE2 3.47Å; E78-H80 IonicContact OE1-CD2 3.46Å; E78-H80 IonicContact OE1-CE1 3.57Å; E78-H80 IonicContact OE1-NE2 3.86Å; E78-H80 PolarHBondContact OE1-NE2 2.92Å; H80-L106 WeakPolarHBondContact O-CA 3.29Å; H80-L106 WeakPolarHBondContact O-CD1 3.49Å; H80-W107 HydrophobicContact CB-CD2 4.27Å; H80-W107 HydrophobicContact CB-CG 4.5Å; H80-W107 HydrophobicContact CB-CZ2 3.91Å; H80-W107 AromaticContact CD2-CD2 3.96Å; H80-W107 AromaticContact CD2-CE2 3.43Å; H80-W107 VanDerWaalsContact CD2-CE2 3.43Å; H80-W107 AromaticContact CD2-CH2 3.14Å; H80-W107 WeakPolarHBondContact CD2-CH2 3.45Å; H80-W107 AromaticContact CD2-CZ2 3Å; H80-W107 WeakPolarHBondContact CD2-CZ2 3.2Å; H80-W107 AromaticContact CD2-CZ3 3.68Å; H80-W107 AromaticContact CG-CE2 3.65Å; H80-W107 AromaticContact CG-CZ2 3.42Å; H80-W107 VanDerWaalsContact CG-CZ2 3.42Å; H80-W107 AromaticContact CG-NE1 3.95Å; H80-W107 PolarHBondContact N-O 2.79Å; H80-W107 AromaticContact NE2-CH2 3.37Å; H80-W107 WeakPolarHBondContact NE2-CH2 3.4Å; H80-W107 AromaticContact NE2-CZ2 3.51Å; H80-W107 PolarHBondContact O-N 2.86Å; H80-F155 AromaticContact CE1-CD2 3.65Å; H80-F155 AromaticContact NE2-CD2 3.68Å
81	L	98	Very high	93.4	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.3	172.8	172.8	63	0	0	0	108.1	I83 E105 L106 F132 L136 T215 I216	L81-I83 HydrophobicContact CD1-CG1 4.21Å; L81-I83 HydrophobicContact CG-CG1 4.45Å; L81-E105 WeakPolarHBondContact CA-O 3.29Å; L81-L106 HydrophobicContact CB-CD1 4.03Å; L81-L106 HydrophobicContact CD1-CB 4.32Å; L81-L106 HydrophobicContact CD1-CD1 4.35Å; L81-F132 HydrophobicContact CD2-CB 4.4Å; L81-F132 HydrophobicContact CD2-CD2 3.51Å; L81-F132 HydrophobicContact CD2-CE2 3.95Å; L81-F132 HydrophobicContact CD2-CG 3.9Å; L81-L136 HydrophobicContact CD1-CD1 3.71Å; L81-L136 HydrophobicContact CD1-CD2 3.97Å; L81-L136 HydrophobicContact CD2-CD1 3.83Å; L81-L136 HydrophobicContact CG-CD1 4.45Å; L81-T215 CarbonylContact O-C 3.49Å; L81-T215 VanDerWaalsContact O-CA 3.23Å; L81-T215 WeakPolarHBondContact O-CA 3.19Å; L81-I216 HydrophobicContact CB-CG2 3.97Å; L81-I216 HydrophobicContact CD2-CG2 4.21Å; L81-I216 HydrophobicContact CG-CG2 4.46Å; L81-I216 PolarHBondContact N-O 2.79Å; L81-I216 PolarHBondContact O-N 3.44Å
82	S	97.6	Very high	93.3	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.042	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.3	166.2	59.2	0	0	0	0	110.6	S100 A104 E105 M214	S82-S100 WeakPolarHBondContact CB-OG 3.48Å; S82-S100 VanDerWaalsContact OG-CB 3.22Å; S82-S100 WeakPolarHBondContact OG-CB 3.19Å; S82-S100 PolarHBondContact OG-OG 3.33Å; S82-A104 CarbonylContact O-C 3.55Å; S82-A104 VanDerWaalsContact O-CA 3.23Å; S82-A104 WeakPolarHBondContact O-CA 3.43Å; S82-E105 PolarHBondContact N-O 3.26Å; S82-E105 PolarHBondContact O-N 2.81Å; S82-E105 WeakPolarHBondContact OG-CB 3.45Å; S82-M214 CarbonylContact C-O 3.49Å; S82-M214 VanDerWaalsContact CA-O 3.27Å; S82-M214 WeakPolarHBondContact CA-O 3.31Å
83	I	97.7	Very high	93	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	120.9	173.9	-51.4	178.6	0	0	0	106.7	L81 G103 A104 A134 E175 L177 N181 M214	L81-I83 HydrophobicContact CD1-CG1 4.21Å; L81-I83 HydrophobicContact CG-CG1 4.45Å; I83-G103 WeakPolarHBondContact CA-O 3.39Å; I83-A104 HydrophobicContact CG1-CB 4.11Å; I83-A134 HydrophobicContact CD1-CB 4.02Å; I83-E175 WeakPolarHBondContact CG2-O 3.11Å; I83-L177 HydrophobicContact CB-CD1 4.04Å; I83-L177 HydrophobicContact CG2-CB 3.94Å; I83-L177 HydrophobicContact CG2-CD1 4Å; I83-N181 HydrophobicContact CD1-CB 4.36Å; I83-M214 HydrophobicContact CD1-CE 4.11Å; I83-M214 PolarHBondContact N-O 3.19Å; I83-M214 PolarHBondContact O-N 2.92Å
84	S	96.9	Very high	92.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	147.9	-172	-34.4	0	0	0	0	112.3	S100 P101 G103 N212 T213	S84-S100 VanDerWaalsContact OG-CB 3.28Å; S84-S100 WeakPolarHBondContact OG-CB 3.49Å; S84-P101 VanDerWaalsContact CB-O 3.26Å; S84-P101 WeakPolarHBondContact CB-O 3.49Å; S84-P101 PolarHBondContact OG-O 3.36Å; S84-G103 PolarHBondContact N-O 3.38Å; S84-G103 PolarHBondContact O-N 3.09Å; S84-N212 CarbonylContact C-O 3.53Å; S84-N212 VanDerWaalsContact CA-O 3.23Å; S84-N212 WeakPolarHBondContact CA-O 3.49Å; S84-T213 VanDerWaalsContact OG-CB 3.31Å; S84-T213 WeakPolarHBondContact OG-CB 3.47Å; S84-T213 PolarHBondContact OG-OG1 2.89Å
85	R	95.4	Very high	92.3	Very high	102 Å²	102	31.2 Å²	31.2	39%	0.385	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.5	167.9	177.8	-176.1	146.9	-142.4	-12.8	109.1	A176 L177 F207 Y211 N212	R85-A176 HydrophobicContact CB-CB 4.46Å; R85-L177 HydrophobicContact CB-CB 4.38Å; R85-F207 PolarHBondContact NH1-O 2.98Å; R85-Y211 WeakPolarHBondContact O-CA 3.18Å; R85-N212 WeakPolarHBondContact CB-OD1 3.22Å; R85-N212 PolarHBondContact N-O 3.36Å; R85-N212 PolarHBondContact O-N 3.16Å
86	G	93.9	Very high	92	Very high	24 Å²	24	28.4 Å²	28.4	25%	0.247	14%	0.135	C	C	.	.	S	Bend	trans	86.8	-179.5	-173.9	0	0	0	0	0	112.1	S102	G86-S102 PolarHBondContact O-OG 2.81Å
87	I	92.4	Very high	91.8	Very high	88 Å²	88	28.4 Å²	28.4	45%	0.451	14%	0.135	S	C	.	.			trans	-127.3	141	-178.6	-61.3	160.3	0	0	0	106.7	D89 S102 P513	I87-D89 PolarHBondContact O-N 3.13Å; I87-S102 WeakPolarHBondContact CG1-OG 3.5Å; I87-P513 HydrophobicContact CD1-CB 4.08Å; I87-P513 HydrophobicContact CG2-CG 4.18Å
88	W	92.1	Very high	91.4	Very high	29 Å²	29	30.7 Å²	30.7	11%	0.11	15%	0.153	C	C	.	.			trans	-66.6	116.5	169.9	-172.9	-83.1	0	0	0	110.4	L35 W92 G93 N95 F96 V99 Y211 V241	L35-W88 HydrophobicContact CD1-CH2 4.41Å; L35-W88 HydrophobicContact CD2-CH2 4.46Å; W88-W92 HydrophobicContact CB-CZ3 4.48Å; W88-W92 AromaticContact CD2-CE3 3.67Å; W88-W92 HydrophobicContact CD2-CE3 3.67Å; W88-W92 HydrophobicContact CD2-CZ3 4.2Å; W88-W92 AromaticContact CE2-CE3 3.97Å; W88-W92 AromaticContact CE3-CE3 3.82Å; W88-W92 HydrophobicContact CE3-CE3 3.82Å; W88-W92 HydrophobicContact CE3-CZ3 4.08Å; W88-W92 HydrophobicContact CG-CE3 4.02Å; W88-W92 HydrophobicContact CG-CZ3 4.39Å; W88-W92 HydrophobicContact CZ2-CB 4.03Å; W88-W92 HydrophobicContact CZ2-CE3 4.39Å; W88-W92 HydrophobicContact CZ3-CE3 4.25Å; W88-G93 PolarHBondContact NE1-O 2.82Å; W88-N95 PolarHBondContact NE1-OD1 3.37Å; W88-F96 AromaticContact CH2-CD1 3.78Å; W88-F96 HydrophobicContact CH2-CD1 3.78Å; W88-F96 AromaticContact CH2-CE1 3.73Å; W88-F96 HydrophobicContact CH2-CE1 3.73Å; W88-F96 HydrophobicContact CZ2-CD1 4.28Å; W88-V99 HydrophobicContact CB-CG1 3.63Å; W88-V99 HydrophobicContact CD2-CG1 4.39Å; W88-V99 HydrophobicContact CD2-CG2 3.92Å; W88-V99 HydrophobicContact CE3-CG1 4.21Å; W88-V99 HydrophobicContact CE3-CG2 3.6Å; W88-V99 HydrophobicContact CG-CG1 4.2Å; W88-V99 HydrophobicContact CG-CG2 4.39Å; W88-V99 HydrophobicContact CZ3-CG2 4.07Å; W88-Y211 HydrophobicContact CE3-CD1 4.17Å; W88-Y211 HydrophobicContact CE3-CE1 4.1Å; W88-V241 HydrophobicContact CZ3-CG2 3.93Å
89	D	90.7	Very high	91	Very high	44 Å²	44	31 Å²	31	24%	0.235	16%	0.155	C	C	.	.			trans	-81.5	131	-177.7	-161.8	-49.4	0	0	0	110.6	I87 R91 W92	I87-D89 PolarHBondContact O-N 3.13Å; D89-R91 VanDerWaalsContact CG-NE 3.27Å; D89-R91 PolarHBondContact O-N 2.88Å; D89-R91 VanDerWaalsContact OD1-CB 3.28Å; D89-R91 WeakPolarHBondContact OD1-CB 3.36Å; D89-R91 WeakPolarHBondContact OD1-CG 3.2Å; D89-R91 PolarHBondContact OD1-N 3.47Å; D89-R91 IonicContact OD1-NE 3.69Å; D89-R91 PolarHBondContact OD1-NE 3.12Å; D89-R91 IonicContact OD2-CZ 3.26Å; D89-R91 IonicContact OD2-NE 3.64Å; D89-R91 PolarHBondContact OD2-NE 3.07Å; D89-R91 IonicContact OD2-NH2 2.81Å; D89-R91 PolarHBondContact OD2-NH2 3.36Å; D89-W92 HydrophobicContact CB-CD2 3.69Å; D89-W92 HydrophobicContact CB-CE3 4.06Å; D89-W92 HydrophobicContact CB-CG 4.19Å; D89-W92 HydrophobicContact CB-CH2 4.12Å; D89-W92 HydrophobicContact CB-CZ2 3.77Å; D89-W92 HydrophobicContact CB-CZ3 4.28Å; D89-W92 VanDerWaalsContact N-CE3 3.3Å; D89-W92 WeakPolarHBondContact O-CB 3.44Å; D89-W92 PolarHBondContact O-N 3.34Å
90	E	87.1	Confident	90.8	Very high	62 Å²	62	31.5 Å²	31.5	29%	0.29	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-58	-22.4	176.8	-62.2	-173.6	-177.9	0	0	112.9	W92 G93 P334 S337	E90-W92 PolarHBondContact O-N 3.27Å; E90-G93 PolarHBondContact O-N 2.97Å; E90-P334 HydrophobicContact CB-CG 4.46Å; E90-P334 WeakPolarHBondContact O-CD 3.42Å; E90-S337 WeakPolarHBondContact OE1-CB 2.86Å; E90-S337 PolarHBondContact OE1-OG 2.63Å; E90-S337 WeakPolarHBondContact OE2-CB 3.49Å; E90-S337 PolarHBondContact OE2-OG 3.26Å
91	R	85.8	Confident	90.8	Very high	133 Å²	133	30.4 Å²	30.4	50%	0.502	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-65	-22.6	174.9	-65.6	178	-67.5	161.8	3.1	113.2	D89 G93	D89-R91 VanDerWaalsContact CG-NE 3.27Å; D89-R91 PolarHBondContact O-N 2.88Å; D89-R91 VanDerWaalsContact OD1-CB 3.28Å; D89-R91 WeakPolarHBondContact OD1-CB 3.36Å; D89-R91 WeakPolarHBondContact OD1-CG 3.2Å; D89-R91 PolarHBondContact OD1-N 3.47Å; D89-R91 IonicContact OD1-NE 3.69Å; D89-R91 PolarHBondContact OD1-NE 3.12Å; D89-R91 IonicContact OD2-CZ 3.26Å; D89-R91 IonicContact OD2-NE 3.64Å; D89-R91 PolarHBondContact OD2-NE 3.07Å; D89-R91 IonicContact OD2-NH2 2.81Å; D89-R91 PolarHBondContact OD2-NH2 3.36Å; R91-G93 PolarHBondContact O-N 3.08Å
92	W	88.5	Confident	90.6	Very high	6 Å²	6	31.4 Å²	31.4	2%	0.023	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-80.1	-4.2	174.3	-54.7	-24.2	0	0	0	112.7	L35 Y39 W88 D89 E90 N210 Y211 V241	L35-W92 HydrophobicContact CB-CB 4.24Å; L35-W92 HydrophobicContact CD1-CB 3.84Å; L35-W92 HydrophobicContact CD1-CD2 4.29Å; L35-W92 HydrophobicContact CD1-CG 3.89Å; L35-W92 HydrophobicContact CD2-CB 4.4Å; L35-W92 HydrophobicContact CG-CB 4.39Å; Y39-W92 HydrophobicContact CD1-CZ2 4.36Å; Y39-W92 AromaticContact CD1-NE1 3.37Å; Y39-W92 AromaticContact CD2-CD1 3.67Å; Y39-W92 AromaticContact CD2-NE1 3.45Å; Y39-W92 HydrophobicContact CE1-CZ2 4.44Å; Y39-W92 AromaticContact CE1-NE1 3.71Å; Y39-W92 AromaticContact CE2-NE1 3.78Å; Y39-W92 AromaticContact CG-CD1 3.67Å; Y39-W92 AromaticContact CG-NE1 3.26Å; Y39-W92 VanDerWaalsContact CG-NE1 3.26Å; Y39-W92 AromaticContact CZ-NE1 3.93Å; W88-W92 HydrophobicContact CB-CZ3 4.48Å; W88-W92 AromaticContact CD2-CE3 3.67Å; W88-W92 HydrophobicContact CD2-CE3 3.67Å; W88-W92 HydrophobicContact CD2-CZ3 4.2Å; W88-W92 AromaticContact CE2-CE3 3.97Å; W88-W92 AromaticContact CE3-CE3 3.82Å; W88-W92 HydrophobicContact CE3-CE3 3.82Å; W88-W92 HydrophobicContact CE3-CZ3 4.08Å; W88-W92 HydrophobicContact CG-CE3 4.02Å; W88-W92 HydrophobicContact CG-CZ3 4.39Å; W88-W92 HydrophobicContact CZ2-CB 4.03Å; W88-W92 HydrophobicContact CZ2-CE3 4.39Å; W88-W92 HydrophobicContact CZ3-CE3 4.25Å; D89-W92 HydrophobicContact CB-CD2 3.69Å; D89-W92 HydrophobicContact CB-CE3 4.06Å; D89-W92 HydrophobicContact CB-CG 4.19Å; D89-W92 HydrophobicContact CB-CH2 4.12Å; D89-W92 HydrophobicContact CB-CZ2 3.77Å; D89-W92 HydrophobicContact CB-CZ3 4.28Å; D89-W92 VanDerWaalsContact N-CE3 3.3Å; D89-W92 WeakPolarHBondContact O-CB 3.44Å; D89-W92 PolarHBondContact O-N 3.34Å; E90-W92 PolarHBondContact O-N 3.27Å; W92-N210 HydrophobicContact CZ2-CB 4.42Å; W92-Y211 HydrophobicContact CZ3-CG 4.17Å; W92-V241 HydrophobicContact CD2-CG1 4.02Å; W92-V241 HydrophobicContact CE3-CB 4.47Å; W92-V241 HydrophobicContact CE3-CG1 4.15Å; W92-V241 HydrophobicContact CE3-CG2 4.17Å; W92-V241 HydrophobicContact CH2-CB 4.17Å; W92-V241 HydrophobicContact CH2-CG1 4.02Å; W92-V241 HydrophobicContact CZ2-CB 4.49Å; W92-V241 HydrophobicContact CZ2-CG1 3.85Å; W92-V241 HydrophobicContact CZ3-CB 4.12Å; W92-V241 HydrophobicContact CZ3-CG1 4.12Å; W92-V241 HydrophobicContact CZ3-CG2 4.04Å
93	G	85.3	Confident	90.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.			trans	79.8	-160.9	-177.1	0	0	0	0	0	113.9	W88 E90 R91 H332	W88-G93 PolarHBondContact NE1-O 2.82Å; E90-G93 PolarHBondContact O-N 2.97Å; R91-G93 PolarHBondContact O-N 3.08Å; G93-H332 WeakPolarHBondContact CA-O 3.18Å
94	S	83.8	Confident	90.6	Very high	20 Å²	20	31.2 Å²	31.2	14%	0.14	16%	0.16	C	C	.	.	S	Bend	trans	-59.2	138.5	178.6	-62.9	0	0	0	0	110.8	F96 P334	S94-F96 PolarHBondContact O-N 3.49Å; S94-P334 WeakPolarHBondContact OG-CA 2.94Å
95	N	84.9	Confident	90.6	Very high	18 Å²	18	31.5 Å²	31.5	10%	0.096	16%	0.162	C	C	.	.			trans	-51.3	113.1	166.5	-60.6	5.2	0	0	0	108.1	W88 V97 V99 L510	W88-N95 PolarHBondContact NE1-OD1 3.37Å; N95-V97 VanDerWaalsContact C-N 3.32Å; N95-V99 HydrophobicContact CB-CG2 3.87Å; N95-L510 WeakPolarHBondContact ND2-CD2 3.47Å
96	F	85.6	Confident	90.7	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.009	14%	0.144	C	C	.	.	S	Bend	trans	-88.4	-10	175.6	76.5	-91.2	0	0	0	111.2	L31 K33 L35 A41 H43 W88 S94 L280 L483 N484	L31-F96 HydrophobicContact CB-CE2 4.48Å; L31-F96 HydrophobicContact CD1-CE2 4.25Å; K33-F96 HydrophobicContact CB-CE1 4.3Å; K33-F96 HydrophobicContact CB-CZ 4.17Å; K33-F96 HydrophobicContact CD-CB 4.28Å; K33-F96 HydrophobicContact CD-CD1 3.73Å; K33-F96 HydrophobicContact CD-CD2 4.22Å; K33-F96 HydrophobicContact CD-CE1 4.07Å; K33-F96 HydrophobicContact CD-CG 3.82Å; K33-F96 HydrophobicContact CD-CZ 4.48Å; L35-F96 HydrophobicContact CD2-CD1 4.12Å; L35-F96 HydrophobicContact CD2-CE1 4.05Å; A41-F96 HydrophobicContact CB-CE1 3.64Å; A41-F96 HydrophobicContact CB-CZ 3.75Å; H43-F96 HydrophobicContact CB-CE2 4.24Å; H43-F96 HydrophobicContact CB-CZ 4.35Å; W88-F96 AromaticContact CH2-CD1 3.78Å; W88-F96 HydrophobicContact CH2-CD1 3.78Å; W88-F96 AromaticContact CH2-CE1 3.73Å; W88-F96 HydrophobicContact CH2-CE1 3.73Å; W88-F96 HydrophobicContact CZ2-CD1 4.28Å; S94-F96 PolarHBondContact O-N 3.49Å; F96-L280 HydrophobicContact CD2-CD1 3.83Å; F96-L280 HydrophobicContact CE2-CD1 3.89Å; F96-L483 HydrophobicContact CB-CB 4.1Å; F96-L483 HydrophobicContact CB-CD1 4.26Å; F96-L483 HydrophobicContact CD2-CD1 4.44Å; F96-L483 CarbonylContact O-C 3.59Å; F96-L483 VanDerWaalsContact O-CA 3.24Å; F96-L483 WeakPolarHBondContact O-CA 3.23Å; F96-L483 WeakPolarHBondContact O-CB 3.49Å; F96-N484 PolarHBondContact O-N 3.36Å
97	V	89.8	Confident	90.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-135.2	167	175.7	-73.2	0	0	0	0	108.2	L31 H43 N95 V99 T239 N484	L31-V97 HydrophobicContact CD1-CG1 4.13Å; H43-V97 HydrophobicContact CB-CG1 3.98Å; H43-V97 VanDerWaalsContact CG-CG1 3.46Å; N95-V97 VanDerWaalsContact C-N 3.32Å; V97-V99 WeakPolarHBondContact O-CG2 3.3Å; V97-V99 PolarHBondContact O-N 3.44Å; V97-T239 HydrophobicContact CG2-CG2 3.86Å; V97-N484 VanDerWaalsContact CA-OD1 3.28Å; V97-N484 WeakPolarHBondContact CA-OD1 3.46Å; V97-N484 PolarHBondContact N-OD1 3.2Å; V97-N484 PolarHBondContact O-OD1 2.96Å; V97-N484 VanDerWaalsContact O-OD1 3.07Å
98	S	84.6	Confident	91.2	Very high	74 Å²	74	21.7 Å²	21.7	52%	0.517	11%	0.112	S	C	.	.			trans	-63.1	123	171.4	-168.8	0	0	0	0	109.9	N484	S98-N484 PolarHBondContact N-OD1 2.74Å
99	V	86	Confident	91.3	Very high	9 Å²	9	21.4 Å²	21.4	6%	0.055	11%	0.111	C	C	.	.			trans	-111.8	150.6	-179.5	177.1	0	0	0	0	107.9	W88 N95 V97 Y211 H511	W88-V99 HydrophobicContact CB-CG1 3.63Å; W88-V99 HydrophobicContact CD2-CG1 4.39Å; W88-V99 HydrophobicContact CD2-CG2 3.92Å; W88-V99 HydrophobicContact CE3-CG1 4.21Å; W88-V99 HydrophobicContact CE3-CG2 3.6Å; W88-V99 HydrophobicContact CG-CG1 4.2Å; W88-V99 HydrophobicContact CG-CG2 4.39Å; W88-V99 HydrophobicContact CZ3-CG2 4.07Å; N95-V99 HydrophobicContact CB-CG2 3.87Å; V97-V99 WeakPolarHBondContact O-CG2 3.3Å; V97-V99 PolarHBondContact O-N 3.44Å; V99-Y211 HydrophobicContact CG1-CE1 4.27Å; V99-Y211 HydrophobicContact CG1-CE2 4.3Å; V99-Y211 WeakPolarHBondContact CG1-OH 3.34Å; V99-H511 PolarHBondContact O-ND1 2.86Å
100	S	94	Very high	91.5	Very high	10 Å²	10	19.4 Å²	19.4	7%	0.07	10%	0.1	C	C	.	.			trans	-120.6	157.1	-179.8	-71.5	0	0	0	0	110.9	S82 S84 Y211	S82-S100 WeakPolarHBondContact CB-OG 3.48Å; S82-S100 VanDerWaalsContact OG-CB 3.22Å; S82-S100 WeakPolarHBondContact OG-CB 3.19Å; S82-S100 PolarHBondContact OG-OG 3.33Å; S84-S100 VanDerWaalsContact OG-CB 3.28Å; S84-S100 WeakPolarHBondContact OG-CB 3.49Å; S100-Y211 PolarHBondContact N-OH 3.06Å; S100-Y211 PolarHBondContact O-OH 2.92Å
101	P	95.7	Very high	91.4	Very high	7 Å²	7	17 Å²	17	5%	0.045	9%	0.091	C	C	.	.			trans	-69.4	163.6	178.1	30.9	-32.8	0	0	0	110.3	S84 E105 A457 H511	S84-P101 VanDerWaalsContact CB-O 3.26Å; S84-P101 WeakPolarHBondContact CB-O 3.49Å; S84-P101 PolarHBondContact OG-O 3.36Å; P101-E105 WeakPolarHBondContact CD-OE2 3.26Å; P101-E105 HydrophobicContact CG-CB 4.09Å; P101-A457 HydrophobicContact CB-CB 3.55Å; P101-A457 HydrophobicContact CG-CB 4.34Å; P101-H511 HydrophobicContact CB-CB 3.98Å
102	S	95.1	Very high	91.2	Very high	25 Å²	25	14.1 Å²	14.1	18%	0.175	9%	0.086	C	C	.	.	S	Bend	trans	-60.6	138.6	171.4	-46.6	0	0	0	0	110.8	G86 I87	G86-S102 PolarHBondContact O-OG 2.81Å; I87-S102 WeakPolarHBondContact CG1-OG 3.5Å
103	G	96.6	Very high	91	Very high	1 Å²	1	20 Å²	20	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93	-162.8	-173.6	0	0	0	0	0	112.4	I83 S84 L172 P173 E175	I83-G103 WeakPolarHBondContact CA-O 3.39Å; S84-G103 PolarHBondContact N-O 3.38Å; S84-G103 PolarHBondContact O-N 3.09Å; G103-L172 WeakPolarHBondContact CA-O 3.29Å; G103-P173 WeakPolarHBondContact CA-O 3.32Å; G103-E175 CarbonylContact C-O 3.5Å; G103-E175 WeakPolarHBondContact CA-O 3.35Å
104	A	97.7	Very high	91.1	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.008	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	138.2	174.7	0	0	0	0	0	111.7	S82 I83 L136 Q171 L172 E175	S82-A104 CarbonylContact O-C 3.55Å; S82-A104 VanDerWaalsContact O-CA 3.23Å; S82-A104 WeakPolarHBondContact O-CA 3.43Å; I83-A104 HydrophobicContact CG1-CB 4.11Å; A104-L136 HydrophobicContact CB-CD2 3.75Å; A104-Q171 CarbonylContact O-C 3.59Å; A104-Q171 VanDerWaalsContact O-CA 3.3Å; A104-Q171 WeakPolarHBondContact O-CA 3.49Å; A104-L172 HydrophobicContact CB-CB 4.27Å; A104-L172 PolarHBondContact N-O 3.06Å; A104-L172 PolarHBondContact O-N 2.77Å; A104-E175 HydrophobicContact CB-CB 3.97Å; A104-E175 HydrophobicContact CB-CG 4.14Å; A104-E175 PolarHBondContact N-O 3.01Å
105	E	97.7	Very high	91.4	Very high	7 Å²	7	28.4 Å²	28.4	3%	0.033	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.7	169	171.8	-175.2	-144	0	0	107.9	L81 S82 P101 Y152 Y169 Q171 H511	L81-E105 WeakPolarHBondContact CA-O 3.29Å; S82-E105 PolarHBondContact N-O 3.26Å; S82-E105 PolarHBondContact O-N 2.81Å; S82-E105 WeakPolarHBondContact OG-CB 3.45Å; P101-E105 WeakPolarHBondContact CD-OE2 3.26Å; P101-E105 HydrophobicContact CG-CB 4.09Å; E105-Y152 PolarHBondContact OE1-OH 2.7Å; E105-Y169 HydrophobicContact CG-CE2 3.8Å; E105-Y169 WeakPolarHBondContact OE1-CE2 3.23Å; E105-Y169 VanDerWaalsContact OE1-CZ 3.29Å; E105-Y169 PolarHBondContact OE1-OH 3Å; E105-Q171 HydrophobicContact CB-CG 4.28Å; E105-Q171 HydrophobicContact CG-CG 4.31Å; E105-H511 IonicContact OE1-CD2 3.62Å; E105-H511 IonicContact OE1-CE1 3.1Å; E105-H511 IonicContact OE1-NE2 3.56Å; E105-H511 PolarHBondContact OE1-NE2 2.77Å; E105-H511 IonicContact OE2-CE1 3.91Å; E105-H511 IonicContact OE2-NE2 2.6Å; E105-H511 PolarHBondContact OE2-NE2 3.05Å
106	L	98.2	Very high	91.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	129.3	178.7	177.2	66.5	0	0	0	109.4	F79 H80 L81 W121 T125 L128 L139 S170	F79-L106 HydrophobicContact CD2-CD1 4.43Å; H80-L106 WeakPolarHBondContact O-CA 3.29Å; H80-L106 WeakPolarHBondContact O-CD1 3.49Å; L81-L106 HydrophobicContact CB-CD1 4.03Å; L81-L106 HydrophobicContact CD1-CB 4.32Å; L81-L106 HydrophobicContact CD1-CD1 4.35Å; L106-W121 HydrophobicContact CB-CH2 4.22Å; L106-W121 HydrophobicContact CD2-CH2 3.58Å; L106-W121 HydrophobicContact CD2-CZ2 4.26Å; L106-W121 HydrophobicContact CD2-CZ3 3.96Å; L106-W121 HydrophobicContact CG-CH2 3.62Å; L106-W121 HydrophobicContact CG-CZ3 3.97Å; L106-T125 HydrophobicContact CD2-CG2 3.8Å; L106-L128 HydrophobicContact CD1-CD1 3.7Å; L106-L128 HydrophobicContact CD2-CD1 4.05Å; L106-L139 HydrophobicContact CB-CD1 4.2Å; L106-L139 HydrophobicContact CD2-CD1 4.47Å; L106-S170 PolarHBondContact N-O 2.67Å; L106-S170 PolarHBondContact O-N 2.9Å; L106-S170 PolarHBondContact O-OG 2.87Å
107	W	97.7	Very high	92.3	Very high	8 Å²	8	30.6 Å²	30.6	3%	0.03	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	149.7	169.2	62.6	-81	0	0	0	112.3	E78 F79 H80 W109 Y152 F155 V167 R168 Y169	E78-W107 VanDerWaalsContact OE1-CH2 3.3Å; E78-W107 WeakPolarHBondContact OE1-CH2 3.22Å; F79-W107 CarbonylContact C-O 3.54Å; F79-W107 VanDerWaalsContact CA-O 3.27Å; F79-W107 WeakPolarHBondContact CA-O 3.47Å; H80-W107 HydrophobicContact CB-CD2 4.27Å; H80-W107 HydrophobicContact CB-CG 4.5Å; H80-W107 HydrophobicContact CB-CZ2 3.91Å; H80-W107 AromaticContact CD2-CD2 3.96Å; H80-W107 AromaticContact CD2-CE2 3.43Å; H80-W107 VanDerWaalsContact CD2-CE2 3.43Å; H80-W107 AromaticContact CD2-CH2 3.14Å; H80-W107 WeakPolarHBondContact CD2-CH2 3.45Å; H80-W107 AromaticContact CD2-CZ2 3Å; H80-W107 WeakPolarHBondContact CD2-CZ2 3.2Å; H80-W107 AromaticContact CD2-CZ3 3.68Å; H80-W107 AromaticContact CG-CE2 3.65Å; H80-W107 AromaticContact CG-CZ2 3.42Å; H80-W107 VanDerWaalsContact CG-CZ2 3.42Å; H80-W107 AromaticContact CG-NE1 3.95Å; H80-W107 PolarHBondContact N-O 2.79Å; H80-W107 AromaticContact NE2-CH2 3.37Å; H80-W107 WeakPolarHBondContact NE2-CH2 3.4Å; H80-W107 AromaticContact NE2-CZ2 3.51Å; H80-W107 PolarHBondContact O-N 2.86Å; W107-W109 AromaticContact CZ3-CD1 3.67Å; W107-W109 AromaticContact CZ3-NE1 3.85Å; W107-Y152 AromaticContact CD1-CD1 3.98Å; W107-Y152 AromaticContact CD1-CE1 3.9Å; W107-Y152 AromaticContact CD2-CD1 3.71Å; W107-Y152 HydrophobicContact CD2-CD1 3.71Å; W107-Y152 HydrophobicContact CD2-CE1 4.38Å; W107-Y152 AromaticContact CE2-CD1 3.76Å; W107-Y152 HydrophobicContact CE3-CD1 4.22Å; W107-Y152 AromaticContact CG-CD1 3.86Å; W107-Y152 HydrophobicContact CG-CD1 3.86Å; W107-Y152 HydrophobicContact CG-CE1 4.2Å; W107-Y152 HydrophobicContact CZ2-CD1 4.31Å; W107-Y152 AromaticContact NE1-CD1 3.91Å; W107-Y152 AromaticContact NE1-CE1 3.87Å; W107-F155 AromaticContact CH2-CD2 3.78Å; W107-F155 HydrophobicContact CH2-CD2 3.78Å; W107-F155 AromaticContact CH2-CE2 3.77Å; W107-F155 HydrophobicContact CH2-CE2 3.77Å; W107-F155 HydrophobicContact CH2-CG 4.38Å; W107-F155 HydrophobicContact CH2-CZ 4.35Å; W107-F155 AromaticContact CZ2-CD2 3.96Å; W107-F155 HydrophobicContact CZ2-CD2 3.96Å; W107-F155 AromaticContact CZ2-CE2 3.56Å; W107-F155 HydrophobicContact CZ2-CE2 3.56Å; W107-F155 HydrophobicContact CZ2-CZ 4.23Å; W107-V167 HydrophobicContact CE3-CG2 4.47Å; W107-R168 CarbonylContact C-O 3.46Å; W107-R168 WeakPolarHBondContact CA-O 3.49Å; W107-R168 VanDerWaalsContact CB-O 3.27Å; W107-R168 WeakPolarHBondContact CB-O 3.42Å; W107-Y169 HydrophobicContact CB-CD2 3.66Å; W107-Y169 HydrophobicContact CB-CE2 4.42Å; W107-Y169 HydrophobicContact CB-CG 4.46Å; W107-Y169 HydrophobicContact CG-CD2 4.16Å
108	A	97.4	Very high	92.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	143.3	-176.2	0	0	0	0	0	111.5	V76 E78 F79 F110 W121 L124 V167 R168	V76-A108 HydrophobicContact CG1-CB 4.18Å; E78-A108 CarbonylContact O-C 3.59Å; E78-A108 WeakPolarHBondContact O-CA 3.29Å; F79-A108 HydrophobicContact CB-CB 3.74Å; A108-F110 HydrophobicContact CB-CE2 3.86Å; A108-F110 HydrophobicContact CB-CZ 4.07Å; A108-W121 HydrophobicContact CB-CE3 4.35Å; A108-W121 HydrophobicContact CB-CZ3 4.04Å; A108-L124 HydrophobicContact CB-CD2 3.71Å; A108-V167 CarbonylContact O-C 3.56Å; A108-V167 WeakPolarHBondContact O-CA 3.3Å; A108-R168 PolarHBondContact N-O 2.74Å; A108-R168 PolarHBondContact O-N 2.65Å
109	W	95.9	Very high	93.1	Very high	23 Å²	23	35.8 Å²	35.8	9%	0.087	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.5	168.3	-82.4	91.7	0	0	0	110.3	D77 E78 W107 Y152 R154 V167	D77-W109 PolarHBondContact N-O 2.91Å; E78-W109 HydrophobicContact CB-CB 4.38Å; E78-W109 PolarHBondContact N-O 2.88Å; E78-W109 PolarHBondContact O-N 2.88Å; W107-W109 AromaticContact CZ3-CD1 3.67Å; W107-W109 AromaticContact CZ3-NE1 3.85Å; W109-Y152 WeakPolarHBondContact CZ2-O 3.43Å; W109-Y152 PolarHBondContact NE1-O 2.58Å; W109-Y152 VanDerWaalsContact NE1-O 3.09Å; W109-R154 HydrophobicContact CB-CG 4.16Å; W109-R154 HydrophobicContact CD2-CG 3.53Å; W109-R154 HydrophobicContact CE3-CG 4.21Å; W109-R154 VanDerWaalsContact CE3-NE 3.34Å; W109-R154 HydrophobicContact CG-CG 3.49Å; W109-R154 VanDerWaalsContact CG-CG 3.49Å; W109-R154 HydrophobicContact CZ2-CG 4.31Å; W109-V167 HydrophobicContact CD2-CB 3.91Å; W109-V167 HydrophobicContact CD2-CG2 4.42Å; W109-V167 HydrophobicContact CE3-CB 4.23Å; W109-V167 HydrophobicContact CG-CB 4.44Å; W109-V167 HydrophobicContact CH2-CB 4.26Å; W109-V167 HydrophobicContact CH2-CG1 4.45Å; W109-V167 HydrophobicContact CZ2-CB 3.91Å; W109-V167 HydrophobicContact CZ2-CG1 4.25Å; W109-V167 HydrophobicContact CZ3-CB 4.41Å
110	F	94.1	Very high	93.6	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.6	177.2	-63.6	-90.8	0	0	0	110.4	V76 A108 T114 V117 S120 W121 L124 G165 E166 R168	V76-F110 HydrophobicContact CG2-CD1 4.09Å; V76-F110 HydrophobicContact CG2-CE1 3.6Å; V76-F110 HydrophobicContact CG2-CZ 4.3Å; A108-F110 HydrophobicContact CB-CE2 3.86Å; A108-F110 HydrophobicContact CB-CZ 4.07Å; F110-T114 HydrophobicContact CB-CG2 4.48Å; F110-T114 HydrophobicContact CD1-CG2 4.42Å; F110-V117 HydrophobicContact CB-CG1 4.14Å; F110-V117 HydrophobicContact CB-CG2 4.07Å; F110-V117 HydrophobicContact CD2-CG1 3.48Å; F110-V117 VanDerWaalsContact CD2-CG1 3.48Å; F110-V117 HydrophobicContact CE2-CG1 3.99Å; F110-V117 HydrophobicContact CG-CG1 3.78Å; F110-S120 VanDerWaalsContact CE1-CB 3.48Å; F110-W121 HydrophobicContact CE2-CB 4.32Å; F110-W121 HydrophobicContact CE2-CE3 4.02Å; F110-W121 HydrophobicContact CZ-CB 3.91Å; F110-W121 AromaticContact CZ-CE3 3.94Å; F110-W121 HydrophobicContact CZ-CE3 3.94Å; F110-L124 HydrophobicContact CZ-CD2 4.07Å; F110-G165 WeakPolarHBondContact O-CA 3.03Å; F110-E166 PolarHBondContact N-O 2.73Å; F110-E166 PolarHBondContact O-N 2.63Å; F110-R168 HydrophobicContact CD2-CG 4.32Å; F110-R168 HydrophobicContact CE2-CB 4.1Å; F110-R168 HydrophobicContact CE2-CG 3.77Å
111	G	85.4	Confident	93.8	Very high	11 Å²	11	35.7 Å²	35.7	11%	0.113	19%	0.19	C	C	.	.			trans	-71.5	158.4	179.2	0	0	0	0	0	112.4	N75 D77 Q113 T114	N75-G111 PolarHBondContact O-N 3.39Å; N75-G111 VanDerWaalsContact O-N 3.12Å; D77-G111 WeakPolarHBondContact OD2-CA 2.86Å; D77-G111 PolarHBondContact OD2-N 3.14Å; G111-Q113 PolarHBondContact O-N 3.22Å; G111-Q113 VanDerWaalsContact O-N 3.13Å; G111-T114 WeakPolarHBondContact O-CB 3.4Å; G111-T114 PolarHBondContact O-N 3.18Å; G111-T114 PolarHBondContact O-OG1 2.8Å
112	N	81.1	Confident	93.9	Very high	74 Å²	74	40 Å²	40	40%	0.396	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-27.3	-179.3	-74.3	-42.4	0	0	0	115.2	T114 K162 S164 G165	N112-T114 PolarHBondContact O-N 3.33Å; N112-K162 PolarHBondContact ND2-O 2.64Å; N112-S164 PolarHBondContact ND2-O 3.27Å; N112-S164 PolarHBondContact ND2-OG 2.56Å; N112-S164 WeakPolarHBondContact OD1-CA 3.11Å; N112-S164 WeakPolarHBondContact OD1-CB 3.45Å; N112-S164 PolarHBondContact OD1-O 3.14Å; N112-S164 PolarHBondContact OD1-OG 2.92Å; N112-G165 PolarHBondContact OD1-N 3.23Å
113	Q	83.7	Confident	94	Very high	130 Å²	130	42.7 Å²	42.7	61%	0.607	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-2.9	-178.6	-57	-176.9	7.8	0	0	112.2	G111 I115 F160	G111-Q113 PolarHBondContact O-N 3.22Å; G111-Q113 VanDerWaalsContact O-N 3.13Å; Q113-I115 PolarHBondContact O-N 2.8Å; Q113-F160 VanDerWaalsContact NE2-CE2 3.26Å
114	T	88.7	Confident	94	Very high	16 Å²	16	42.6 Å²	42.6	10%	0.098	22%	0.216	C	C	.	.			trans	-71.8	109.4	-179.8	-49.5	0	0	0	0	109.7	N75 F110 G111 N112 S116 V117 S120	N75-T114 HydrophobicContact CB-CG2 4.48Å; N75-T114 VanDerWaalsContact CB-OG1 3.3Å; N75-T114 WeakPolarHBondContact CB-OG1 3.27Å; F110-T114 HydrophobicContact CB-CG2 4.48Å; F110-T114 HydrophobicContact CD1-CG2 4.42Å; G111-T114 WeakPolarHBondContact O-CB 3.4Å; G111-T114 PolarHBondContact O-N 3.18Å; G111-T114 PolarHBondContact O-OG1 2.8Å; N112-T114 PolarHBondContact O-N 3.33Å; T114-S116 VanDerWaalsContact C-N 3.34Å; T114-S116 PolarHBondContact O-N 2.82Å; T114-V117 HydrophobicContact CG2-CG2 4.16Å; T114-S120 WeakPolarHBondContact CG2-OG 3.26Å
115	I	89	Confident	94.1	Very high	179 Å²	179	42.6 Å²	42.6	92%	0.918	22%	0.216	S	C	*	.	S	Bend	trans	-60.4	-44.4	-178.4	-58.9	169.9	0	0	0	111.2	Q113	Q113-I115 PolarHBondContact O-N 2.8Å
116	S	94.3	Very high	94.1	Very high	47 Å²	47	46 Å²	46	33%	0.329	23%	0.232	S	C	.	.			trans	-137.4	103.7	177.2	176.7	0	0	0	0	109.9	T114 D118 Q119 S120	T114-S116 VanDerWaalsContact C-N 3.34Å; T114-S116 PolarHBondContact O-N 2.82Å; S116-D118 VanDerWaalsContact C-N 3.26Å; S116-D118 PolarHBondContact O-N 3.5Å; S116-Q119 PolarHBondContact O-N 2.87Å; S116-Q119 WeakPolarHBondContact OG-CB 3.43Å; S116-Q119 PolarHBondContact OG-N 2.76Å; S116-S120 PolarHBondContact O-N 3.23Å
117	V	95.3	Very high	94	Very high	19 Å²	19	47 Å²	47	12%	0.115	24%	0.24	C	C	.	.	H	α-helix	trans	-59.7	-40.5	177.7	175.6	0	0	0	0	110.7	F110 T114 Q119 S120 W121 E166 R168	F110-V117 HydrophobicContact CB-CG1 4.14Å; F110-V117 HydrophobicContact CB-CG2 4.07Å; F110-V117 HydrophobicContact CD2-CG1 3.48Å; F110-V117 VanDerWaalsContact CD2-CG1 3.48Å; F110-V117 HydrophobicContact CE2-CG1 3.99Å; F110-V117 HydrophobicContact CG-CG1 3.78Å; T114-V117 HydrophobicContact CG2-CG2 4.16Å; V117-Q119 VanDerWaalsContact C-N 3.33Å; V117-Q119 PolarHBondContact O-N 2.86Å; V117-S120 PolarHBondContact O-N 2.68Å; V117-W121 VanDerWaalsContact O-CB 3.29Å; V117-W121 WeakPolarHBondContact O-CB 3.2Å; V117-W121 PolarHBondContact O-N 2.75Å; V117-E166 HydrophobicContact CG1-CB 4.28Å; V117-E166 HydrophobicContact CG2-CB 4.06Å; V117-R168 HydrophobicContact CG1-CG 4.05Å; V117-R168 VanDerWaalsContact CG1-CZ 3.42Å
118	D	95.4	Very high	94	Very high	78 Å²	78	46.6 Å²	46.6	42%	0.417	24%	0.239	S	C	.	.	H	α-helix	trans	-64.4	-38.2	179.7	-69.9	-7.7	0	0	0	111.9	S116 F122 R168	S116-D118 VanDerWaalsContact C-N 3.26Å; S116-D118 PolarHBondContact O-N 3.5Å; D118-F122 WeakPolarHBondContact O-CB 3.49Å; D118-F122 PolarHBondContact O-N 3.07Å; D118-R168 IonicContact OD1-CZ 2.64Å; D118-R168 VanDerWaalsContact OD1-CZ 3.32Å; D118-R168 IonicContact OD1-NE 2.73Å; D118-R168 PolarHBondContact OD1-NE 2.82Å; D118-R168 IonicContact OD1-NH2 3.18Å; D118-R168 PolarHBondContact OD1-NH2 3.09Å
119	Q	96.4	Very high	94	Very high	106 Å²	106	47.6 Å²	47.6	50%	0.495	25%	0.246	S	C	.	.	H	α-helix	trans	-69.5	-39.6	175.6	-166.6	-175.8	17.7	0	0	111.9	S116 V117 F122 K123	S116-Q119 PolarHBondContact O-N 2.87Å; S116-Q119 WeakPolarHBondContact OG-CB 3.43Å; S116-Q119 PolarHBondContact OG-N 2.76Å; V117-Q119 VanDerWaalsContact C-N 3.33Å; V117-Q119 PolarHBondContact O-N 2.86Å; Q119-F122 PolarHBondContact O-N 2.91Å; Q119-K123 HydrophobicContact CG-CD 4.48Å; Q119-K123 WeakPolarHBondContact O-CG 3.19Å; Q119-K123 PolarHBondContact O-N 3.09Å
120	S	96.7	Very high	94	Very high	16 Å²	16	49.2 Å²	49.2	11%	0.112	27%	0.269	C	S	.	.	H	α-helix	trans	-66.2	-40.9	175	-73.6	0	0	0	0	111.8	Y74 F110 T114 S116 V117 K123 L124	Y74-S120 VanDerWaalsContact O-CB 3.3Å; Y74-S120 WeakPolarHBondContact O-CB 3.48Å; Y74-S120 PolarHBondContact O-OG 2.87Å; Y74-S120 VanDerWaalsContact O-OG 3.11Å; F110-S120 VanDerWaalsContact CE1-CB 3.48Å; T114-S120 WeakPolarHBondContact CG2-OG 3.26Å; S116-S120 PolarHBondContact O-N 3.23Å; V117-S120 PolarHBondContact O-N 2.68Å; S120-K123 PolarHBondContact O-N 2.94Å; S120-L124 VanDerWaalsContact O-CB 3.27Å; S120-L124 WeakPolarHBondContact O-CB 3.48Å; S120-L124 PolarHBondContact O-N 3.04Å
121	W	97.6	Very high	94.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-45.2	173.6	175.2	-104.7	0	0	0	112.3	L106 A108 F110 V117 K123 L124 T125 L139 F145 R168 S170	L106-W121 HydrophobicContact CB-CH2 4.22Å; L106-W121 HydrophobicContact CD2-CH2 3.58Å; L106-W121 HydrophobicContact CD2-CZ2 4.26Å; L106-W121 HydrophobicContact CD2-CZ3 3.96Å; L106-W121 HydrophobicContact CG-CH2 3.62Å; L106-W121 HydrophobicContact CG-CZ3 3.97Å; A108-W121 HydrophobicContact CB-CE3 4.35Å; A108-W121 HydrophobicContact CB-CZ3 4.04Å; F110-W121 HydrophobicContact CE2-CB 4.32Å; F110-W121 HydrophobicContact CE2-CE3 4.02Å; F110-W121 HydrophobicContact CZ-CB 3.91Å; F110-W121 AromaticContact CZ-CE3 3.94Å; F110-W121 HydrophobicContact CZ-CE3 3.94Å; V117-W121 VanDerWaalsContact O-CB 3.29Å; V117-W121 WeakPolarHBondContact O-CB 3.2Å; V117-W121 PolarHBondContact O-N 2.75Å; W121-K123 VanDerWaalsContact C-N 3.34Å; W121-K123 PolarHBondContact O-N 3.48Å; W121-L124 HydrophobicContact CE3-CD2 4.23Å; W121-L124 HydrophobicContact CZ3-CD2 4.4Å; W121-L124 PolarHBondContact O-N 2.88Å; W121-T125 HydrophobicContact CD2-CG2 3.89Å; W121-T125 VanDerWaalsContact CE2-CG2 3.5Å; W121-T125 HydrophobicContact CE3-CG2 4.31Å; W121-T125 HydrophobicContact CG-CG2 4.44Å; W121-T125 HydrophobicContact CH2-CG2 4.12Å; W121-T125 HydrophobicContact CZ2-CG2 3.64Å; W121-T125 HydrophobicContact CZ3-CG2 4.42Å; W121-T125 WeakPolarHBondContact O-CB 3.49Å; W121-T125 WeakPolarHBondContact O-CG2 3.41Å; W121-T125 PolarHBondContact O-N 3Å; W121-T125 PolarHBondContact O-OG1 2.97Å; W121-L139 HydrophobicContact CZ2-CB 4.24Å; W121-L139 PolarHBondContact NE1-O 3.22Å; W121-F145 AromaticContact CD1-CD1 3.6Å; W121-F145 AromaticContact CD1-CE1 3.69Å; W121-F145 HydrophobicContact CZ2-CB 4.27Å; W121-F145 AromaticContact NE1-CD1 3.29Å; W121-F145 VanDerWaalsContact NE1-CD1 3.29Å; W121-F145 AromaticContact NE1-CE1 3.89Å; W121-F145 AromaticContact NE1-CG 3.91Å; W121-R168 HydrophobicContact CB-CG 4.13Å; W121-R168 HydrophobicContact CD2-CB 3.63Å; W121-R168 HydrophobicContact CD2-CG 3.9Å; W121-R168 HydrophobicContact CE3-CB 3.39Å; W121-R168 HydrophobicContact CE3-CG 3.97Å; W121-R168 HydrophobicContact CG-CB 4.25Å; W121-R168 HydrophobicContact CG-CG 3.98Å; W121-R168 HydrophobicContact CH2-CB 4.11Å; W121-R168 HydrophobicContact CZ2-CB 4.34Å; W121-R168 HydrophobicContact CZ3-CB 3.65Å; W121-S170 WeakPolarHBondContact CZ2-OG 3.39Å
122	F	97.7	Very high	94.6	Very high	97 Å²	97	50.7 Å²	50.7	43%	0.425	28%	0.275	S	S	.	.	H	α-helix	trans	-55.6	-49.6	173.6	179.8	-85.3	0	0	0	110.9	D118 Q119 T125 H126	D118-F122 WeakPolarHBondContact O-CB 3.49Å; D118-F122 PolarHBondContact O-N 3.07Å; Q119-F122 PolarHBondContact O-N 2.91Å; F122-T125 PolarHBondContact O-OG1 2.94Å; F122-H126 AromaticContact CD1-CD2 3.81Å; F122-H126 AromaticContact CE1-CD2 3.48Å; F122-H126 VanDerWaalsContact CE1-CD2 3.48Å; F122-H126 WeakPolarHBondContact CE1-CD2 3.44Å; F122-H126 AromaticContact CE1-NE2 3.69Å; F122-H126 AromaticContact CE2-CD2 3.88Å; F122-H126 AromaticContact CE2-NE2 3.49Å; F122-H126 WeakPolarHBondContact CE2-NE2 3.18Å; F122-H126 AromaticContact CZ-CD2 3.52Å; F122-H126 AromaticContact CZ-NE2 3.2Å; F122-H126 WeakPolarHBondContact CZ-NE2 3.46Å; F122-H126 PolarHBondContact O-CD2 2.99Å; F122-H126 PolarHBondContact O-N 2.68Å
123	K	97.2	Very high	95.2	Very high	82 Å²	82	50.8 Å²	50.8	36%	0.357	28%	0.28	S	S	.	.	H	α-helix	trans	-66.8	-40.4	-179.9	-68.9	170.8	-177.9	170.4	0	112.6	Y74 Q119 S120 W121 A127	Y74-K123 HydrophobicContact CD1-CB 3.73Å; Y74-K123 HydrophobicContact CD1-CD 3.91Å; Y74-K123 HydrophobicContact CD1-CG 4.46Å; Y74-K123 HydrophobicContact CD2-CB 4.33Å; Y74-K123 HydrophobicContact CE1-CB 3.49Å; Y74-K123 VanDerWaalsContact CE1-CB 3.49Å; Y74-K123 HydrophobicContact CE1-CD 3.7Å; Y74-K123 HydrophobicContact CE1-CG 4.11Å; Y74-K123 HydrophobicContact CE2-CB 4.14Å; Y74-K123 HydrophobicContact CG-CB 4.15Å; Q119-K123 HydrophobicContact CG-CD 4.48Å; Q119-K123 WeakPolarHBondContact O-CG 3.19Å; Q119-K123 PolarHBondContact O-N 3.09Å; S120-K123 PolarHBondContact O-N 2.94Å; W121-K123 VanDerWaalsContact C-N 3.34Å; W121-K123 PolarHBondContact O-N 3.48Å; K123-A127 WeakPolarHBondContact O-CB 3.35Å; K123-A127 PolarHBondContact O-N 3.32Å
124	L	97.8	Very high	95.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-51.9	177.3	177.2	64.7	0	0	0	111.3	I70 Y74 V76 A108 F110 S120 W121 H126 A127 L128	I70-L124 HydrophobicContact CG2-CD1 3.44Å; I70-L124 VanDerWaalsContact CG2-CD1 3.44Å; Y74-L124 HydrophobicContact CD2-CB 4.45Å; V76-L124 HydrophobicContact CG1-CD2 4.43Å; V76-L124 HydrophobicContact CG2-CD1 4.15Å; V76-L124 HydrophobicContact CG2-CD2 3.87Å; V76-L124 HydrophobicContact CG2-CG 4.43Å; A108-L124 HydrophobicContact CB-CD2 3.71Å; F110-L124 HydrophobicContact CZ-CD2 4.07Å; S120-L124 VanDerWaalsContact O-CB 3.27Å; S120-L124 WeakPolarHBondContact O-CB 3.48Å; S120-L124 PolarHBondContact O-N 3.04Å; W121-L124 HydrophobicContact CE3-CD2 4.23Å; W121-L124 HydrophobicContact CZ3-CD2 4.4Å; W121-L124 PolarHBondContact O-N 2.88Å; L124-H126 VanDerWaalsContact C-N 3.32Å; L124-H126 PolarHBondContact O-N 2.92Å; L124-A127 PolarHBondContact O-N 3.32Å; L124-A127 VanDerWaalsContact O-N 3.15Å; L124-L128 HydrophobicContact CD1-CD1 3.85Å; L124-L128 HydrophobicContact CD1-CG 4.01Å; L124-L128 HydrophobicContact CG-CD1 3.93Å; L124-L128 HydrophobicContact CG-CG 4.4Å; L124-L128 WeakPolarHBondContact O-CG 3.3Å; L124-L128 PolarHBondContact O-N 3.02Å
125	T	98	Very high	96.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.5	-40.5	-179	48.9	0	0	0	0	112.1	L106 W121 F122 S129 L139 S140	L106-T125 HydrophobicContact CD2-CG2 3.8Å; W121-T125 HydrophobicContact CD2-CG2 3.89Å; W121-T125 VanDerWaalsContact CE2-CG2 3.5Å; W121-T125 HydrophobicContact CE3-CG2 4.31Å; W121-T125 HydrophobicContact CG-CG2 4.44Å; W121-T125 HydrophobicContact CH2-CG2 4.12Å; W121-T125 HydrophobicContact CZ2-CG2 3.64Å; W121-T125 HydrophobicContact CZ3-CG2 4.42Å; W121-T125 WeakPolarHBondContact O-CB 3.49Å; W121-T125 WeakPolarHBondContact O-CG2 3.41Å; W121-T125 PolarHBondContact O-N 3Å; W121-T125 PolarHBondContact O-OG1 2.97Å; F122-T125 PolarHBondContact O-OG1 2.94Å; T125-S129 WeakPolarHBondContact O-CB 3.27Å; T125-S129 PolarHBondContact O-N 2.89Å; T125-L139 HydrophobicContact CG2-CB 4.11Å; T125-S140 VanDerWaalsContact OG1-CB 3.29Å; T125-S140 WeakPolarHBondContact OG1-CB 3.31Å
126	H	98	Very high	96.4	Very high	78 Å²	78	36.6 Å²	36.6	36%	0.361	21%	0.212	S	C	.	.	H	α-helix	trans	-65.8	-41.6	173.5	-85.1	-76.1	0	0	0	113.3	F122 L124 S129 G130	F122-H126 AromaticContact CD1-CD2 3.81Å; F122-H126 AromaticContact CE1-CD2 3.48Å; F122-H126 VanDerWaalsContact CE1-CD2 3.48Å; F122-H126 WeakPolarHBondContact CE1-CD2 3.44Å; F122-H126 AromaticContact CE1-NE2 3.69Å; F122-H126 AromaticContact CE2-CD2 3.88Å; F122-H126 AromaticContact CE2-NE2 3.49Å; F122-H126 WeakPolarHBondContact CE2-NE2 3.18Å; F122-H126 AromaticContact CZ-CD2 3.52Å; F122-H126 AromaticContact CZ-NE2 3.2Å; F122-H126 WeakPolarHBondContact CZ-NE2 3.46Å; F122-H126 PolarHBondContact O-CD2 2.99Å; F122-H126 PolarHBondContact O-N 2.68Å; L124-H126 VanDerWaalsContact C-N 3.32Å; L124-H126 PolarHBondContact O-N 2.92Å; H126-S129 WeakPolarHBondContact O-CB 3.33Å; H126-S129 PolarHBondContact O-N 3.18Å; H126-G130 PolarHBondContact O-N 3.09Å
127	A	97.6	Very high	96.5	Very high	21 Å²	21	37.3 Å²	37.3	17%	0.174	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-47.3	178.2	0	0	0	0	0	111.3	I70 Y74 K123 L124 S129 G130 L131	I70-A127 HydrophobicContact CD1-CB 3.71Å; I70-A127 HydrophobicContact CG1-CB 4.11Å; Y74-A127 HydrophobicContact CE2-CB 4Å; K123-A127 WeakPolarHBondContact O-CB 3.35Å; K123-A127 PolarHBondContact O-N 3.32Å; L124-A127 PolarHBondContact O-N 3.32Å; L124-A127 VanDerWaalsContact O-N 3.15Å; A127-S129 VanDerWaalsContact C-N 3.33Å; A127-S129 PolarHBondContact O-N 3.13Å; A127-G130 PolarHBondContact O-N 2.7Å; A127-L131 WeakPolarHBondContact O-CG 3.24Å; A127-L131 PolarHBondContact O-N 3.33Å
128	L	97.3	Very high	96.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-36.8	177.2	-66.5	177.8	0	0	0	112.3	F79 L106 L124 G130 L131 F132 L136	F79-L128 HydrophobicContact CD2-CD1 4.26Å; F79-L128 HydrophobicContact CE2-CD1 4.31Å; F79-L128 HydrophobicContact CE2-CD2 4.1Å; F79-L128 HydrophobicContact CZ-CD2 4.1Å; L106-L128 HydrophobicContact CD1-CD1 3.7Å; L106-L128 HydrophobicContact CD2-CD1 4.05Å; L124-L128 HydrophobicContact CD1-CD1 3.85Å; L124-L128 HydrophobicContact CD1-CG 4.01Å; L124-L128 HydrophobicContact CG-CD1 3.93Å; L124-L128 HydrophobicContact CG-CG 4.4Å; L124-L128 WeakPolarHBondContact O-CG 3.3Å; L124-L128 PolarHBondContact O-N 3.02Å; L128-G130 VanDerWaalsContact C-N 3.31Å; L128-G130 PolarHBondContact O-N 3.47Å; L128-L131 PolarHBondContact O-N 2.56Å; L128-F132 HydrophobicContact CD2-CD2 4.34Å; L128-F132 HydrophobicContact CD2-CE2 4.02Å; L128-F132 PolarHBondContact O-N 2.81Å; L128-L136 HydrophobicContact CB-CD1 3.85Å
129	S	96.9	Very high	96.5	Very high	21 Å²	21	39.9 Å²	39.9	15%	0.147	21%	0.214	C	C	.	.	H	α-helix	trans	-56.2	-45.6	173.4	176.7	0	0	0	0	111.7	T125 H126 A127 C133 A134	T125-S129 WeakPolarHBondContact O-CB 3.27Å; T125-S129 PolarHBondContact O-N 2.89Å; H126-S129 WeakPolarHBondContact O-CB 3.33Å; H126-S129 PolarHBondContact O-N 3.18Å; A127-S129 VanDerWaalsContact C-N 3.33Å; A127-S129 PolarHBondContact O-N 3.13Å; S129-C133 WeakPolarHBondContact O-CA 3.45Å; S129-C133 PolarHBondContact O-N 2.93Å; S129-C133 VanDerWaalsContact O-N 3.12Å; S129-A134 VanDerWaalsContact CA-O 3.26Å; S129-A134 WeakPolarHBondContact CA-O 3Å; S129-A134 VanDerWaalsContact CB-O 3.27Å; S129-A134 WeakPolarHBondContact CB-O 3.49Å; S129-A134 PolarHBondContact O-N 3.37Å; S129-A134 PolarHBondContact OG-O 3.26Å
130	G	95.4	Very high	96.4	Very high	57 Å²	57	35.5 Å²	35.5	59%	0.588	20%	0.195	S	C	*	.	H	α-helix	trans	-68.8	-38.4	176.2	0	0	0	0	0	113.7	H126 A127 L128	H126-G130 PolarHBondContact O-N 3.09Å; A127-G130 PolarHBondContact O-N 2.7Å; L128-G130 VanDerWaalsContact C-N 3.31Å; L128-G130 PolarHBondContact O-N 3.47Å
131	L	95.7	Very high	96.3	Very high	44 Å²	44	37.5 Å²	37.5	23%	0.23	21%	0.207	C	C	.	.	H	α-helix	trans	-70.2	-42	-178.7	-70	-176.7	0	0	0	113.1	I67 I70 A127 L128 P184 Y188	I67-L131 HydrophobicContact CD1-CD1 3.89Å; I70-L131 HydrophobicContact CD1-CD1 3.3Å; I70-L131 HydrophobicContact CD1-CG 4.26Å; A127-L131 WeakPolarHBondContact O-CG 3.24Å; A127-L131 PolarHBondContact O-N 3.33Å; L128-L131 PolarHBondContact O-N 2.56Å; L131-P184 WeakPolarHBondContact O-CB 3.45Å; L131-Y188 WeakPolarHBondContact CD1-OH 3.28Å; L131-Y188 WeakPolarHBondContact CD2-OH 3.36Å
132	F	95.8	Very high	96.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-101.3	7.2	-175	-67.9	-75.3	0	0	0	114	I67 L81 L128 A134 N181 W185 Y188 M214 I216	I67-F132 HydrophobicContact CD1-CE2 4.3Å; I67-F132 HydrophobicContact CD1-CZ 4.35Å; L81-F132 HydrophobicContact CD2-CB 4.4Å; L81-F132 HydrophobicContact CD2-CD2 3.51Å; L81-F132 HydrophobicContact CD2-CE2 3.95Å; L81-F132 HydrophobicContact CD2-CG 3.9Å; L128-F132 HydrophobicContact CD2-CD2 4.34Å; L128-F132 HydrophobicContact CD2-CE2 4.02Å; L128-F132 PolarHBondContact O-N 2.81Å; F132-A134 PolarHBondContact O-N 3.15Å; F132-N181 PolarHBondContact O-ND2 3.23Å; F132-W185 HydrophobicContact CD1-CB 4.4Å; F132-W185 HydrophobicContact CE1-CB 4.19Å; F132-Y188 HydrophobicContact CE1-CD2 4.11Å; F132-Y188 AromaticContact CE1-CE2 3.88Å; F132-Y188 HydrophobicContact CE1-CE2 3.88Å; F132-Y188 HydrophobicContact CE2-CE2 4.44Å; F132-Y188 HydrophobicContact CZ-CD2 4.04Å; F132-Y188 AromaticContact CZ-CE2 3.61Å; F132-Y188 HydrophobicContact CZ-CE2 3.61Å; F132-M214 HydrophobicContact CD1-CE 4.46Å; F132-I216 HydrophobicContact CE1-CG2 4.12Å; F132-I216 HydrophobicContact CE2-CG2 3.99Å; F132-I216 HydrophobicContact CZ-CB 4.44Å; F132-I216 HydrophobicContact CZ-CD1 3.81Å; F132-I216 HydrophobicContact CZ-CG2 3.58Å
133	C	95.4	Very high	96.1	Very high	75 Å²	75	37.8 Å²	37.8	51%	0.507	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	42.2	-177.8	-59.9	0	0	0	0	112.4	S129 N181	S129-C133 WeakPolarHBondContact O-CA 3.45Å; S129-C133 PolarHBondContact O-N 2.93Å; S129-C133 VanDerWaalsContact O-N 3.12Å; C133-N181 PolarHBondContact O-ND2 3.06Å
134	A	95.1	Very high	96	Very high	5 Å²	5	36.2 Å²	36.2	4%	0.041	21%	0.209	C	C	.	.	S	Bend	trans	-121.9	153.3	-176.5	0	0	0	0	0	110.5	I83 S129 F132 L136 E175	I83-A134 HydrophobicContact CD1-CB 4.02Å; S129-A134 VanDerWaalsContact CA-O 3.26Å; S129-A134 WeakPolarHBondContact CA-O 3Å; S129-A134 VanDerWaalsContact CB-O 3.27Å; S129-A134 WeakPolarHBondContact CB-O 3.49Å; S129-A134 PolarHBondContact O-N 3.37Å; S129-A134 PolarHBondContact OG-O 3.26Å; F132-A134 PolarHBondContact O-N 3.15Å; A134-L136 HydrophobicContact CB-CD1 4.29Å; A134-L136 HydrophobicContact CB-CD2 4.4Å; A134-L136 HydrophobicContact CB-CG 3.85Å; A134-L136 PolarHBondContact O-N 2.98Å; A134-E175 VanDerWaalsContact CA-OE1 3.22Å; A134-E175 WeakPolarHBondContact CA-OE1 3.39Å; A134-E175 HydrophobicContact CB-CG 4.42Å
135	S	94.9	Very high	96	Very high	23 Å²	23	37 Å²	37	16%	0.161	21%	0.212	C	C	.	.			trans	-78	33	-178.3	78	0	0	0	0	114.6	N137 R138 L172 E175	S135-N137 VanDerWaalsContact C-OD1 3.25Å; S135-N137 PolarHBondContact O-N 3.31Å; S135-N137 VanDerWaalsContact O-N 3.13Å; S135-N137 PolarHBondContact O-OD1 3.24Å; S135-R138 WeakPolarHBondContact O-CB 3.41Å; S135-R138 WeakPolarHBondContact O-CG 3.34Å; S135-R138 PolarHBondContact O-N 3.45Å; S135-R138 VanDerWaalsContact O-N 3.09Å; S135-L172 WeakPolarHBondContact O-CD2 3.39Å; S135-L172 VanDerWaalsContact OG-CD2 3.29Å; S135-L172 WeakPolarHBondContact OG-CD2 3.47Å; S135-E175 WeakPolarHBondContact CB-OE2 3.41Å; S135-E175 PolarHBondContact N-OE1 2.57Å; S135-E175 PolarHBondContact OG-OE2 2.85Å
136	L	96.7	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-62.3	-20	-178.3	-56.8	176.8	0	0	0	113.4	L81 A104 L128 A134 R138 L139	L81-L136 HydrophobicContact CD1-CD1 3.71Å; L81-L136 HydrophobicContact CD1-CD2 3.97Å; L81-L136 HydrophobicContact CD2-CD1 3.83Å; L81-L136 HydrophobicContact CG-CD1 4.45Å; A104-L136 HydrophobicContact CB-CD2 3.75Å; L128-L136 HydrophobicContact CB-CD1 3.85Å; A134-L136 HydrophobicContact CB-CD1 4.29Å; A134-L136 HydrophobicContact CB-CD2 4.4Å; A134-L136 HydrophobicContact CB-CG 3.85Å; A134-L136 PolarHBondContact O-N 2.98Å; L136-R138 PolarHBondContact O-N 3.22Å; L136-R138 VanDerWaalsContact O-N 3.15Å; L136-L139 HydrophobicContact CB-CD1 4.37Å; L136-L139 HydrophobicContact CD2-CD1 3.86Å; L136-L139 VanDerWaalsContact O-CB 3.23Å; L136-L139 WeakPolarHBondContact O-CB 3.38Å; L136-L139 WeakPolarHBondContact O-CG 3.36Å; L136-L139 PolarHBondContact O-N 2.63Å
137	N	96.2	Very high	95.8	Very high	61 Å²	61	35.1 Å²	35.1	33%	0.326	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-58.5	-23.6	173.2	65.2	-46.9	0	0	0	113	S135 L139 S140	S135-N137 VanDerWaalsContact C-OD1 3.25Å; S135-N137 PolarHBondContact O-N 3.31Å; S135-N137 VanDerWaalsContact O-N 3.13Å; S135-N137 PolarHBondContact O-OD1 3.24Å; N137-L139 PolarHBondContact O-N 3.19Å; N137-S140 WeakPolarHBondContact O-CB 3.24Å; N137-S140 PolarHBondContact O-N 3.41Å; N137-S140 PolarHBondContact O-OG 3.12Å
138	R	93.5	Very high	95.7	Very high	152 Å²	152	34.4 Å²	34.4	57%	0.574	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-64	-24.7	172.7	-66.8	179.5	172.5	177	-0.7	112.8	S135 L136 S140 H144 L172	S135-R138 WeakPolarHBondContact O-CB 3.41Å; S135-R138 WeakPolarHBondContact O-CG 3.34Å; S135-R138 PolarHBondContact O-N 3.45Å; S135-R138 VanDerWaalsContact O-N 3.09Å; L136-R138 PolarHBondContact O-N 3.22Å; L136-R138 VanDerWaalsContact O-N 3.15Å; R138-S140 PolarHBondContact O-N 2.87Å; R138-H144 PolarHBondContact O-CD2 3.19Å; R138-L172 HydrophobicContact CB-CD1 4.47Å; R138-L172 HydrophobicContact CB-CD2 4.44Å
139	L	96.1	Very high	95.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-78.2	-7.3	-179.7	-55.6	172.9	0	0	0	112.9	L106 W121 T125 L136 N137 T141 H144 S170 L172	L106-L139 HydrophobicContact CB-CD1 4.2Å; L106-L139 HydrophobicContact CD2-CD1 4.47Å; W121-L139 HydrophobicContact CZ2-CB 4.24Å; W121-L139 PolarHBondContact NE1-O 3.22Å; T125-L139 HydrophobicContact CG2-CB 4.11Å; L136-L139 HydrophobicContact CB-CD1 4.37Å; L136-L139 HydrophobicContact CD2-CD1 3.86Å; L136-L139 VanDerWaalsContact O-CB 3.23Å; L136-L139 WeakPolarHBondContact O-CB 3.38Å; L136-L139 WeakPolarHBondContact O-CG 3.36Å; L136-L139 PolarHBondContact O-N 2.63Å; N137-L139 PolarHBondContact O-N 3.19Å; L139-T141 VanDerWaalsContact C-N 3.29Å; L139-T141 PolarHBondContact O-N 3.19Å; L139-H144 HydrophobicContact CD2-CB 4.14Å; L139-S170 WeakPolarHBondContact CD1-OG 3.43Å; L139-L172 HydrophobicContact CD1-CB 4.47Å; L139-L172 HydrophobicContact CD2-CB 3.94Å; L139-L172 HydrophobicContact CD2-CD1 4.42Å; L139-L172 HydrophobicContact CG-CB 4.48Å
140	S	95.6	Very high	95.3	Very high	13 Å²	13	40 Å²	40	9%	0.091	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-67.7	-23.7	-171.1	64.3	0	0	0	0	114.5	T125 N137 R138	T125-S140 VanDerWaalsContact OG1-CB 3.29Å; T125-S140 WeakPolarHBondContact OG1-CB 3.31Å; N137-S140 WeakPolarHBondContact O-CB 3.24Å; N137-S140 PolarHBondContact O-N 3.41Å; N137-S140 PolarHBondContact O-OG 3.12Å; R138-S140 PolarHBondContact O-N 2.87Å
141	T	94.3	Very high	95.1	Very high	59 Å²	59	37.5 Å²	37.5	36%	0.362	20%	0.203	S	C	.	.	S	Bend	trans	-98.7	155.3	-176.1	64.9	0	0	0	0	112.2	L139 E143 H144 F145	L139-T141 VanDerWaalsContact C-N 3.29Å; L139-T141 PolarHBondContact O-N 3.19Å; T141-E143 PolarHBondContact O-N 2.83Å; T141-H144 PolarHBondContact O-N 3.2Å; T141-F145 WeakPolarHBondContact O-CD1 3.48Å; T141-F145 WeakPolarHBondContact O-CE1 3.35Å
142	S	95.5	Very high	95.1	Very high	50 Å²	50	35.4 Å²	35.4	35%	0.35	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-12.6	-179.6	51.8	0	0	0	0	114.4	H144 F145 K412 R413 M414	S142-H144 PolarHBondContact O-N 2.84Å; S142-F145 VanDerWaalsContact CA-CE1 3.41Å; S142-K412 PolarHBondContact OG-O 3.38Å; S142-R413 CarbonylContact O-C 3.45Å; S142-R413 VanDerWaalsContact O-CA 3.3Å; S142-R413 WeakPolarHBondContact O-CA 3.23Å; S142-M414 PolarHBondContact O-N 3.41Å
143	E	94.7	Very high	94.8	Very high	52 Å²	52	40.4 Å²	40.4	24%	0.243	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-21	173.3	-70.4	179.7	-152.5	0	0	113.7	T141 W374 R411 M414	T141-E143 PolarHBondContact O-N 2.83Å; E143-W374 PolarHBondContact OE2-NE1 2.91Å; E143-W374 VanDerWaalsContact OE2-NE1 3.14Å; E143-R411 VanDerWaalsContact OE1-C 3.3Å; E143-R411 VanDerWaalsContact OE1-O 3.09Å; E143-M414 WeakPolarHBondContact O-CB 3.4Å; E143-M414 WeakPolarHBondContact O-CE 3.48Å
144	H	95.9	Very high	94.5	Very high	49 Å²	49	38.9 Å²	38.9	23%	0.227	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-8.8	-169.2	-68.1	-72	0	0	0	115.1	R138 L139 T141 S142 S170	R138-H144 PolarHBondContact O-CD2 3.19Å; L139-H144 HydrophobicContact CD2-CB 4.14Å; T141-H144 PolarHBondContact O-N 3.2Å; S142-H144 PolarHBondContact O-N 2.84Å; H144-S170 VanDerWaalsContact O-CB 3.23Å; H144-S170 WeakPolarHBondContact O-CB 3.42Å
145	F	96.9	Very high	94.3	Very high	18 Å²	18	41 Å²	41	8%	0.079	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	155.5	178.9	70	-106.1	0	0	0	113.5	W121 T141 S142 R168 Y169 M414	W121-F145 AromaticContact CD1-CD1 3.6Å; W121-F145 AromaticContact CD1-CE1 3.69Å; W121-F145 HydrophobicContact CZ2-CB 4.27Å; W121-F145 AromaticContact NE1-CD1 3.29Å; W121-F145 VanDerWaalsContact NE1-CD1 3.29Å; W121-F145 AromaticContact NE1-CE1 3.89Å; W121-F145 AromaticContact NE1-CG 3.91Å; T141-F145 WeakPolarHBondContact O-CD1 3.48Å; T141-F145 WeakPolarHBondContact O-CE1 3.35Å; S142-F145 VanDerWaalsContact CA-CE1 3.41Å; F145-R168 VanDerWaalsContact CE2-NE 3.28Å; F145-Y169 CarbonylContact C-O 3.53Å; F145-Y169 WeakPolarHBondContact CA-O 3.15Å; F145-Y169 WeakPolarHBondContact CB-O 3.23Å; F145-M414 WeakPolarHBondContact O-CB 3.19Å
146	A	96.8	Very high	94	Very high	5 Å²	5	40.3 Å²	40.3	4%	0.041	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	171.7	169	0	0	0	0	0	110.8	Y169 F369 L371 M414	A146-Y169 PolarHBondContact N-O 2.84Å; A146-Y169 PolarHBondContact O-N 3.46Å; A146-F369 HydrophobicContact CB-CZ 4.2Å; A146-L371 HydrophobicContact CB-CD2 3.52Å; A146-M414 HydrophobicContact CB-CG 4.47Å
147	S	95.8	Very high	93.6	Very high	32 Å²	32	42.5 Å²	42.5	22%	0.224	22%	0.216	C	C	.	.			trans	-123.3	84.5	-179.9	-44.7	0	0	0	0	109	V167 R168	S147-V167 WeakPolarHBondContact CA-O 3.22Å; S147-V167 VanDerWaalsContact CB-O 3.27Å; S147-V167 WeakPolarHBondContact CB-O 3.4Å; S147-V167 PolarHBondContact OG-O 2.91Å; S147-R168 PolarHBondContact OG-NH1 2.86Å
148	P	95.5	Very high	92.9	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.039	22%	0.215	C	C	.	.			trans	-65.2	150.4	178.3	25.3	-33.6	0	0	0	111.7	Y152 V167 F369	P148-Y152 HydrophobicContact CB-CD2 4.41Å; P148-Y152 HydrophobicContact CG-CD2 3.77Å; P148-Y152 HydrophobicContact CG-CG 4.32Å; P148-V167 HydrophobicContact CG-CG1 4.08Å; P148-V167 WeakPolarHBondContact O-CG1 3.3Å; P148-F369 HydrophobicContact CB-CD2 4.01Å; P148-F369 HydrophobicContact CB-CE1 4.46Å; P148-F369 HydrophobicContact CB-CE2 3.72Å; P148-F369 HydrophobicContact CB-CG 4.47Å; P148-F369 HydrophobicContact CB-CZ 3.97Å; P148-F369 HydrophobicContact CG-CE1 4.48Å; P148-F369 HydrophobicContact CG-CE2 4.41Å; P148-F369 HydrophobicContact CG-CZ 4.16Å
149	T	92.7	Very high	92	Very high	70 Å²	70	39 Å²	39	43%	0.429	21%	0.207	S	C	.	.	S	Bend	trans	-94.4	-40.6	-178.5	-52.7	0	0	0	0	111.8	K153 W402 E418	T149-K153 VanDerWaalsContact O-CE 3.32Å; T149-K153 WeakPolarHBondContact O-CE 3.23Å; T149-K153 PolarHBondContact O-NZ 2.82Å; T149-W402 HydrophobicContact CG2-CH2 4.49Å; T149-W402 HydrophobicContact CG2-CZ2 4.47Å; T149-E418 PolarHBondContact N-OE1 2.8Å; T149-E418 PolarHBondContact N-OE2 2.83Å
150	H	92.5	Very high	90.6	Very high	70 Å²	70	44.2 Å²	44.2	32%	0.324	23%	0.23	S	C	.	.	S	Bend	trans	-112.3	-34.4	-171.7	-69.6	-78.1	0	0	0	113.4	Y152 V367 W402 E418	H150-Y152 PolarHBondContact O-N 2.84Å; H150-V367 HydrophobicContact CB-CG1 3.91Å; H150-V367 HydrophobicContact CB-CG2 4.38Å; H150-W402 AromaticContact CD2-CE3 3.87Å; H150-W402 AromaticContact CD2-CH2 3.69Å; H150-W402 AromaticContact CD2-CZ2 3.98Å; H150-W402 AromaticContact CD2-CZ3 3.67Å; H150-W402 AromaticContact NE2-CE2 3.88Å; H150-W402 AromaticContact NE2-CZ2 3.96Å; H150-E418 WeakPolarHBondContact CA-OE1 3.4Å; H150-E418 PolarHBondContact N-OE1 3.4Å
151	S	92.3	Very high	88.9	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.021	27%	0.266	C	S	.	.	S	Bend	trans	-70.6	-31.2	-166.3	-55	0	0	0	0	114.4	V367 F369 E418 R509	S151-V367 WeakPolarHBondContact OG-CG1 3.41Å; S151-F369 WeakPolarHBondContact OG-CB 3.32Å; S151-E418 WeakPolarHBondContact CB-OE1 3.04Å; S151-E418 PolarHBondContact N-OE1 2.69Å; S151-E418 PolarHBondContact OG-OE1 3.08Å; S151-R509 PolarHBondContact O-NH2 3.31Å
152	Y	94.2	Very high	87.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	-126.6	75.8	-175.3	-71.7	-93.7	0	0	0	110.8	E105 W107 W109 P148 H150 Y169 F369 T459	E105-Y152 PolarHBondContact OE1-OH 2.7Å; W107-Y152 AromaticContact CD1-CD1 3.98Å; W107-Y152 AromaticContact CD1-CE1 3.9Å; W107-Y152 AromaticContact CD2-CD1 3.71Å; W107-Y152 HydrophobicContact CD2-CD1 3.71Å; W107-Y152 HydrophobicContact CD2-CE1 4.38Å; W107-Y152 AromaticContact CE2-CD1 3.76Å; W107-Y152 HydrophobicContact CE3-CD1 4.22Å; W107-Y152 AromaticContact CG-CD1 3.86Å; W107-Y152 HydrophobicContact CG-CD1 3.86Å; W107-Y152 HydrophobicContact CG-CE1 4.2Å; W107-Y152 HydrophobicContact CZ2-CD1 4.31Å; W107-Y152 AromaticContact NE1-CD1 3.91Å; W107-Y152 AromaticContact NE1-CE1 3.87Å; W109-Y152 WeakPolarHBondContact CZ2-O 3.43Å; W109-Y152 PolarHBondContact NE1-O 2.58Å; W109-Y152 VanDerWaalsContact NE1-O 3.09Å; P148-Y152 HydrophobicContact CB-CD2 4.41Å; P148-Y152 HydrophobicContact CG-CD2 3.77Å; P148-Y152 HydrophobicContact CG-CG 4.32Å; H150-Y152 PolarHBondContact O-N 2.84Å; Y152-Y169 AromaticContact CD1-CD2 3.91Å; Y152-Y169 HydrophobicContact CD1-CD2 3.91Å; Y152-Y169 HydrophobicContact CD1-CE2 4.15Å; Y152-Y169 AromaticContact CD2-CD2 3.79Å; Y152-Y169 HydrophobicContact CD2-CD2 3.79Å; Y152-Y169 HydrophobicContact CD2-CE2 4.21Å; Y152-Y169 HydrophobicContact CD2-CG 4.29Å; Y152-Y169 AromaticContact CE1-CD2 3.63Å; Y152-Y169 HydrophobicContact CE1-CD2 3.63Å; Y152-Y169 AromaticContact CE1-CE2 3.39Å; Y152-Y169 HydrophobicContact CE1-CE2 3.39Å; Y152-Y169 AromaticContact CE2-CD2 3.54Å; Y152-Y169 HydrophobicContact CE2-CD2 3.54Å; Y152-Y169 HydrophobicContact CE2-CE1 4.5Å; Y152-Y169 AromaticContact CE2-CE2 3.49Å; Y152-Y169 HydrophobicContact CE2-CE2 3.49Å; Y152-Y169 VanDerWaalsContact CE2-CE2 3.49Å; Y152-Y169 HydrophobicContact CE2-CG 4.15Å; Y152-Y169 AromaticContact CE2-CZ 3.95Å; Y152-Y169 AromaticContact CG-CD2 4Å; Y152-Y169 HydrophobicContact CG-CD2 4Å; Y152-Y169 AromaticContact CZ-CD2 3.46Å; Y152-Y169 VanDerWaalsContact CZ-CD2 3.46Å; Y152-Y169 AromaticContact CZ-CE2 3.02Å; Y152-Y169 AromaticContact CZ-CZ 3.64Å; Y152-Y169 WeakPolarHBondContact OH-CE2 3.34Å; Y152-Y169 VanDerWaalsContact OH-CZ 3.26Å; Y152-Y169 PolarHBondContact OH-OH 2.89Å; Y152-Y169 VanDerWaalsContact OH-OH 3.05Å; Y152-F369 HydrophobicContact CE2-CD1 4.1Å; Y152-F369 HydrophobicContact CE2-CE1 4.39Å; Y152-T459 HydrophobicContact CE2-CG2 4.06Å; Y152-T459 WeakPolarHBondContact OH-CG2 3.28Å; Y152-T459 PolarHBondContact OH-OG1 3.5Å
153	K	91	Very high	85.7	Confident	106 Å²	106	57.2 Å²	57.2	46%	0.461	30%	0.298	S	S	.	.			trans	-75.8	159.5	168.7	-61.8	-54.9	-167.9	-177.9	0	110.9	T149	T149-K153 VanDerWaalsContact O-CE 3.32Å; T149-K153 WeakPolarHBondContact O-CE 3.23Å; T149-K153 PolarHBondContact O-NZ 2.82Å
154	R	89.2	Confident	84.5	Confident	43 Å²	43	57.8 Å²	57.8	16%	0.162	31%	0.308	C	S	.	.			trans	-63.1	136.7	174.5	-66.5	177.8	-177	169.8	-3.1	109.6	D77 E78 W109 S164	D77-R154 IonicContact OD2-CZ 3.25Å; D77-R154 IonicContact OD2-NH2 3.17Å; E78-R154 WeakPolarHBondContact OE2-CA 3.23Å; E78-R154 WeakPolarHBondContact OE2-CB 3.34Å; W109-R154 HydrophobicContact CB-CG 4.16Å; W109-R154 HydrophobicContact CD2-CG 3.53Å; W109-R154 HydrophobicContact CE3-CG 4.21Å; W109-R154 VanDerWaalsContact CE3-NE 3.34Å; W109-R154 HydrophobicContact CG-CG 3.49Å; W109-R154 VanDerWaalsContact CG-CG 3.49Å; W109-R154 HydrophobicContact CZ2-CG 4.31Å; R154-S164 PolarHBondContact NH2-O 3.13Å
155	F	90	Very high	83.8	Confident	48 Å²	48	57 Å²	57	21%	0.211	31%	0.313	C	S	.	.	S	Bend	trans	-88.5	-26.8	167	-62.4	-35.5	0	0	0	111.3	E78 H80 W107 N487 F507	E78-F155 WeakPolarHBondContact OE1-CB 3.25Å; E78-F155 PolarHBondContact OE1-N 2.84Å; E78-F155 PolarHBondContact OE2-N 3.49Å; H80-F155 AromaticContact CE1-CD2 3.65Å; H80-F155 AromaticContact NE2-CD2 3.68Å; W107-F155 AromaticContact CH2-CD2 3.78Å; W107-F155 HydrophobicContact CH2-CD2 3.78Å; W107-F155 AromaticContact CH2-CE2 3.77Å; W107-F155 HydrophobicContact CH2-CE2 3.77Å; W107-F155 HydrophobicContact CH2-CG 4.38Å; W107-F155 HydrophobicContact CH2-CZ 4.35Å; W107-F155 AromaticContact CZ2-CD2 3.96Å; W107-F155 HydrophobicContact CZ2-CD2 3.96Å; W107-F155 AromaticContact CZ2-CE2 3.56Å; W107-F155 HydrophobicContact CZ2-CE2 3.56Å; W107-F155 HydrophobicContact CZ2-CZ 4.23Å; F155-N487 VanDerWaalsContact CB-OD1 3.28Å; F155-N487 WeakPolarHBondContact CB-OD1 3Å; F155-N487 WeakPolarHBondContact CD1-OD1 3.2Å; F155-N487 VanDerWaalsContact CG-OD1 3.31Å; F155-N487 WeakPolarHBondContact CG-OD1 3.49Å; F155-F507 HydrophobicContact CE1-CE1 4.1Å; F155-F507 HydrophobicContact CZ-CE1 4.2Å
156	G	89.8	Confident	83.5	Confident	10 Å²	10	59.8 Å²	59.8	10%	0.103	33%	0.326	C	S	.	.	S	Bend	trans	-89.1	167	177.4	0	0	0	0	0	114.5	E78 R220	E78-G156 PolarHBondContact OE2-N 2.9Å; G156-R220 CarbonylContact C-O 3.52Å; G156-R220 WeakPolarHBondContact CA-O 3.48Å
157	V	88.3	Confident	83.4	Confident	46 Å²	46	59.7 Å²	59.7	28%	0.279	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-78.6	141.1	174.6	-64.7	0	0	0	0	111.7	R220 I230	V157-R220 HydrophobicContact CG2-CB 4.02Å; V157-R220 PolarHBondContact N-O 3.4Å; V157-R220 VanDerWaalsContact O-CB 3.27Å; V157-R220 WeakPolarHBondContact O-CB 3.23Å; V157-I230 HydrophobicContact CG2-CG2 4.35Å
158	P	80.9	Confident	83.5	Confident	47 Å²	47	58.6 Å²	58.6	31%	0.305	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-71.3	144.5	177.6	31.8	-35.6	0	0	0	110.8	F160	P158-F160 VanDerWaalsContact C-N 3.26Å; P158-F160 WeakPolarHBondContact CB-O 3.21Å; P158-F160 PolarHBondContact O-N 2.64Å
159	K	73.8	Confident	83.6	Confident	93 Å²	93	58.3 Å²	58.3	40%	0.404	31%	0.314	S	S	.	.	S	Bend	trans	-63.6	-32.2	175.7	-173.5	170.7	-176.3	166.8	0	113.1
160	F	66.7	Low	83.8	Confident	109 Å²	109	55 Å²	55	48%	0.478	29%	0.294	S	S	.	.	S	Bend	trans	-126	149.1	179.8	-58.8	-75.4	0	0	0	109.8	Q113 P158 K162	Q113-F160 VanDerWaalsContact NE2-CE2 3.26Å; P158-F160 VanDerWaalsContact C-N 3.26Å; P158-F160 WeakPolarHBondContact CB-O 3.21Å; P158-F160 PolarHBondContact O-N 2.64Å; F160-K162 PolarHBondContact O-N 3.36Å
161	S	61.1	Low	84.1	Confident	121 Å²	121	51.9 Å²	51.9	85%	0.846	28%	0.28	S	S	*	.	S	Bend	trans	-57.8	-21.1	-177.7	54.1	0	0	0	0	114.7	V163	S161-V163 PolarHBondContact O-N 3.21Å
162	K	58.6	Low	84.2	Confident	160 Å²	160	52.7 Å²	52.7	70%	0.696	28%	0.284	S	S	*	.			trans	-78.3	110.1	173.6	-74.1	-173.5	178	-179.6	0	111	N112 F160 S164	N112-K162 PolarHBondContact ND2-O 2.64Å; F160-K162 PolarHBondContact O-N 3.36Å; K162-S164 PolarHBondContact O-N 3.48Å
163	V	62.2	Low	84.2	Confident	113 Å²	113	53.6 Å²	53.6	69%	0.685	29%	0.29	S	S	*	.			trans	-71.7	7.6	-179.3	-168.8	0	0	0	0	113.5	S161	S161-V163 PolarHBondContact O-N 3.21Å
164	S	69.5	Low	84.2	Confident	65 Å²	65	50.8 Å²	50.8	46%	0.455	29%	0.291	S	S	.	.			trans	-68.2	148.9	173.2	52.8	0	0	0	0	110.6	N112 R154 K162	N112-S164 PolarHBondContact ND2-O 3.27Å; N112-S164 PolarHBondContact ND2-OG 2.56Å; N112-S164 WeakPolarHBondContact OD1-CA 3.11Å; N112-S164 WeakPolarHBondContact OD1-CB 3.45Å; N112-S164 PolarHBondContact OD1-O 3.14Å; N112-S164 PolarHBondContact OD1-OG 2.92Å; R154-S164 PolarHBondContact NH2-O 3.13Å; K162-S164 PolarHBondContact O-N 3.48Å
165	G	81.5	Confident	84.5	Confident	33 Å²	33	50.3 Å²	50.3	34%	0.34	29%	0.291	S	S	.	.			trans	166.1	170.2	178	0	0	0	0	0	108.9	F110 N112	F110-G165 WeakPolarHBondContact O-CA 3.03Å; N112-G165 PolarHBondContact OD1-N 3.23Å
166	E	90.9	Very high	84.6	Confident	75 Å²	75	50.1 Å²	50.1	35%	0.35	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.2	-179.1	-146.2	-173.2	159.5	0	0	110	F110 V117 R168	F110-E166 PolarHBondContact N-O 2.73Å; F110-E166 PolarHBondContact O-N 2.63Å; V117-E166 HydrophobicContact CG1-CB 4.28Å; V117-E166 HydrophobicContact CG2-CB 4.06Å; E166-R168 IonicContact OE1-CZ 3.88Å; E166-R168 VanDerWaalsContact OE1-CZ 3.24Å; E166-R168 IonicContact OE1-NH1 3.81Å; E166-R168 PolarHBondContact OE1-NH1 2.83Å; E166-R168 IonicContact OE1-NH2 3.2Å; E166-R168 PolarHBondContact OE1-NH2 2.77Å; E166-R168 IonicContact OE2-CZ 2.7Å; E166-R168 IonicContact OE2-NH1 3.32Å; E166-R168 PolarHBondContact OE2-NH1 2.89Å; E166-R168 IonicContact OE2-NH2 2.93Å; E166-R168 PolarHBondContact OE2-NH2 3.05Å
167	V	95.4	Very high	84.9	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.024	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	142.2	174.6	62.9	0	0	0	0	109.6	W107 A108 W109 S147 P148	W107-V167 HydrophobicContact CE3-CG2 4.47Å; A108-V167 CarbonylContact O-C 3.56Å; A108-V167 WeakPolarHBondContact O-CA 3.3Å; W109-V167 HydrophobicContact CD2-CB 3.91Å; W109-V167 HydrophobicContact CD2-CG2 4.42Å; W109-V167 HydrophobicContact CE3-CB 4.23Å; W109-V167 HydrophobicContact CG-CB 4.44Å; W109-V167 HydrophobicContact CH2-CB 4.26Å; W109-V167 HydrophobicContact CH2-CG1 4.45Å; W109-V167 HydrophobicContact CZ2-CB 3.91Å; W109-V167 HydrophobicContact CZ2-CG1 4.25Å; W109-V167 HydrophobicContact CZ3-CB 4.41Å; S147-V167 WeakPolarHBondContact CA-O 3.22Å; S147-V167 VanDerWaalsContact CB-O 3.27Å; S147-V167 WeakPolarHBondContact CB-O 3.4Å; S147-V167 PolarHBondContact OG-O 2.91Å; P148-V167 HydrophobicContact CG-CG1 4.08Å; P148-V167 WeakPolarHBondContact O-CG1 3.3Å
168	R	96.9	Very high	85.2	Confident	8 Å²	8	49.8 Å²	49.8	3%	0.03	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.6	163.9	-67.2	-75.3	173.4	-77.1	0.4	107.3	W107 A108 F110 V117 D118 W121 F145 S147 E166	W107-R168 CarbonylContact C-O 3.46Å; W107-R168 WeakPolarHBondContact CA-O 3.49Å; W107-R168 VanDerWaalsContact CB-O 3.27Å; W107-R168 WeakPolarHBondContact CB-O 3.42Å; A108-R168 PolarHBondContact N-O 2.74Å; A108-R168 PolarHBondContact O-N 2.65Å; F110-R168 HydrophobicContact CD2-CG 4.32Å; F110-R168 HydrophobicContact CE2-CB 4.1Å; F110-R168 HydrophobicContact CE2-CG 3.77Å; V117-R168 HydrophobicContact CG1-CG 4.05Å; V117-R168 VanDerWaalsContact CG1-CZ 3.42Å; D118-R168 IonicContact OD1-CZ 2.64Å; D118-R168 VanDerWaalsContact OD1-CZ 3.32Å; D118-R168 IonicContact OD1-NE 2.73Å; D118-R168 PolarHBondContact OD1-NE 2.82Å; D118-R168 IonicContact OD1-NH2 3.18Å; D118-R168 PolarHBondContact OD1-NH2 3.09Å; W121-R168 HydrophobicContact CB-CG 4.13Å; W121-R168 HydrophobicContact CD2-CB 3.63Å; W121-R168 HydrophobicContact CD2-CG 3.9Å; W121-R168 HydrophobicContact CE3-CB 3.39Å; W121-R168 HydrophobicContact CE3-CG 3.97Å; W121-R168 HydrophobicContact CG-CB 4.25Å; W121-R168 HydrophobicContact CG-CG 3.98Å; W121-R168 HydrophobicContact CH2-CB 4.11Å; W121-R168 HydrophobicContact CZ2-CB 4.34Å; W121-R168 HydrophobicContact CZ3-CB 3.65Å; F145-R168 VanDerWaalsContact CE2-NE 3.28Å; S147-R168 PolarHBondContact OG-NH1 2.86Å; E166-R168 IonicContact OE1-CZ 3.88Å; E166-R168 VanDerWaalsContact OE1-CZ 3.24Å; E166-R168 IonicContact OE1-NH1 3.81Å; E166-R168 PolarHBondContact OE1-NH1 2.83Å; E166-R168 IonicContact OE1-NH2 3.2Å; E166-R168 PolarHBondContact OE1-NH2 2.77Å; E166-R168 IonicContact OE2-CZ 2.7Å; E166-R168 IonicContact OE2-NH1 3.32Å; E166-R168 PolarHBondContact OE2-NH1 2.89Å; E166-R168 IonicContact OE2-NH2 2.93Å; E166-R168 PolarHBondContact OE2-NH2 3.05Å
169	Y	97.8	Very high	85.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	134.1	177.8	178.1	-89.7	0	0	0	109.7	E105 W107 F145 A146 Y152 Q171 F369 L371	E105-Y169 HydrophobicContact CG-CE2 3.8Å; E105-Y169 WeakPolarHBondContact OE1-CE2 3.23Å; E105-Y169 VanDerWaalsContact OE1-CZ 3.29Å; E105-Y169 PolarHBondContact OE1-OH 3Å; W107-Y169 HydrophobicContact CB-CD2 3.66Å; W107-Y169 HydrophobicContact CB-CE2 4.42Å; W107-Y169 HydrophobicContact CB-CG 4.46Å; W107-Y169 HydrophobicContact CG-CD2 4.16Å; F145-Y169 CarbonylContact C-O 3.53Å; F145-Y169 WeakPolarHBondContact CA-O 3.15Å; F145-Y169 WeakPolarHBondContact CB-O 3.23Å; A146-Y169 PolarHBondContact N-O 2.84Å; A146-Y169 PolarHBondContact O-N 3.46Å; Y152-Y169 AromaticContact CD1-CD2 3.91Å; Y152-Y169 HydrophobicContact CD1-CD2 3.91Å; Y152-Y169 HydrophobicContact CD1-CE2 4.15Å; Y152-Y169 AromaticContact CD2-CD2 3.79Å; Y152-Y169 HydrophobicContact CD2-CD2 3.79Å; Y152-Y169 HydrophobicContact CD2-CE2 4.21Å; Y152-Y169 HydrophobicContact CD2-CG 4.29Å; Y152-Y169 AromaticContact CE1-CD2 3.63Å; Y152-Y169 HydrophobicContact CE1-CD2 3.63Å; Y152-Y169 AromaticContact CE1-CE2 3.39Å; Y152-Y169 HydrophobicContact CE1-CE2 3.39Å; Y152-Y169 AromaticContact CE2-CD2 3.54Å; Y152-Y169 HydrophobicContact CE2-CD2 3.54Å; Y152-Y169 HydrophobicContact CE2-CE1 4.5Å; Y152-Y169 AromaticContact CE2-CE2 3.49Å; Y152-Y169 HydrophobicContact CE2-CE2 3.49Å; Y152-Y169 VanDerWaalsContact CE2-CE2 3.49Å; Y152-Y169 HydrophobicContact CE2-CG 4.15Å; Y152-Y169 AromaticContact CE2-CZ 3.95Å; Y152-Y169 AromaticContact CG-CD2 4Å; Y152-Y169 HydrophobicContact CG-CD2 4Å; Y152-Y169 AromaticContact CZ-CD2 3.46Å; Y152-Y169 VanDerWaalsContact CZ-CD2 3.46Å; Y152-Y169 AromaticContact CZ-CE2 3.02Å; Y152-Y169 AromaticContact CZ-CZ 3.64Å; Y152-Y169 WeakPolarHBondContact OH-CE2 3.34Å; Y152-Y169 VanDerWaalsContact OH-CZ 3.26Å; Y152-Y169 PolarHBondContact OH-OH 2.89Å; Y152-Y169 VanDerWaalsContact OH-OH 3.05Å; Y169-Q171 HydrophobicContact CE1-CG 3.98Å; Y169-Q171 WeakPolarHBondContact OH-CG 3.24Å; Y169-Q171 PolarHBondContact OH-NE2 3.16Å; Y169-F369 HydrophobicContact CD1-CD1 4.5Å; Y169-F369 AromaticContact CD1-CE1 3.43Å; Y169-F369 HydrophobicContact CD1-CE1 3.43Å; Y169-F369 VanDerWaalsContact CD1-CE1 3.43Å; Y169-F369 HydrophobicContact CD1-CZ 4.03Å; Y169-F369 HydrophobicContact CE1-CD1 4.41Å; Y169-F369 AromaticContact CE1-CE1 3.65Å; Y169-F369 HydrophobicContact CE1-CE1 3.65Å; Y169-F369 HydrophobicContact CG-CE1 4.11Å; Y169-L371 HydrophobicContact CD1-CD1 3.88Å; Y169-L371 HydrophobicContact CD1-CD2 4.17Å; Y169-L371 HydrophobicContact CD1-CG 4.21Å; Y169-L371 HydrophobicContact CE1-CD1 3.66Å; Y169-L371 HydrophobicContact CE1-CG 4.08Å
170	S	97.6	Very high	86.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	158.2	179.1	69.8	0	0	0	0	112.3	L106 W121 L139 H144	L106-S170 PolarHBondContact N-O 2.67Å; L106-S170 PolarHBondContact O-N 2.9Å; L106-S170 PolarHBondContact O-OG 2.87Å; W121-S170 WeakPolarHBondContact CZ2-OG 3.39Å; L139-S170 WeakPolarHBondContact CD1-OG 3.43Å; H144-S170 VanDerWaalsContact O-CB 3.23Å; H144-S170 WeakPolarHBondContact O-CB 3.42Å
171	Q	97.4	Very high	88	Confident	5 Å²	5	45.8 Å²	45.8	2%	0.023	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	146	172.1	-67.5	178.8	31	0	0	110	A104 E105 Y169 L371 P456 A457	A104-Q171 CarbonylContact O-C 3.59Å; A104-Q171 VanDerWaalsContact O-CA 3.3Å; A104-Q171 WeakPolarHBondContact O-CA 3.49Å; E105-Q171 HydrophobicContact CB-CG 4.28Å; E105-Q171 HydrophobicContact CG-CG 4.31Å; Y169-Q171 HydrophobicContact CE1-CG 3.98Å; Y169-Q171 WeakPolarHBondContact OH-CG 3.24Å; Y169-Q171 PolarHBondContact OH-NE2 3.16Å; Q171-L371 HydrophobicContact CB-CD1 4.43Å; Q171-L371 HydrophobicContact CG-CD1 4.4Å; Q171-P456 HydrophobicContact CB-CB 4.15Å; Q171-A457 PolarHBondContact NE2-O 3.43Å
172	L	95.8	Very high	89.7	Confident	20 Å²	20	40.1 Å²	40.1	11%	0.105	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	81.9	170.6	-165.6	61	0	0	0	109.1	G103 A104 S135 R138 L139 G174 E175	G103-L172 WeakPolarHBondContact CA-O 3.29Å; A104-L172 HydrophobicContact CB-CB 4.27Å; A104-L172 PolarHBondContact N-O 3.06Å; A104-L172 PolarHBondContact O-N 2.77Å; S135-L172 WeakPolarHBondContact O-CD2 3.39Å; S135-L172 VanDerWaalsContact OG-CD2 3.29Å; S135-L172 WeakPolarHBondContact OG-CD2 3.47Å; R138-L172 HydrophobicContact CB-CD1 4.47Å; R138-L172 HydrophobicContact CB-CD2 4.44Å; L139-L172 HydrophobicContact CD1-CB 4.47Å; L139-L172 HydrophobicContact CD2-CB 3.94Å; L139-L172 HydrophobicContact CD2-CD1 4.42Å; L139-L172 HydrophobicContact CG-CB 4.48Å; L172-G174 PolarHBondContact O-N 3.27Å; L172-G174 VanDerWaalsContact O-N 3.09Å; L172-E175 HydrophobicContact CB-CB 4.2Å; L172-E175 HydrophobicContact CD2-CB 3.87Å; L172-E175 HydrophobicContact CD2-CG 4.37Å; L172-E175 HydrophobicContact CG-CB 3.95Å; L172-E175 WeakPolarHBondContact O-CB 3.33Å; L172-E175 PolarHBondContact O-N 3.24Å
173	P	94.1	Very high	91.3	Very high	20 Å²	20	35.9 Å²	35.9	13%	0.13	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.4	-170	-24.2	34.1	0	0	0	115.3	G103 E175 F454 P456 V514	G103-P173 WeakPolarHBondContact CA-O 3.32Å; P173-E175 VanDerWaalsContact C-N 3.3Å; P173-F454 HydrophobicContact CB-CB 3.77Å; P173-F454 HydrophobicContact CB-CD1 4.35Å; P173-F454 HydrophobicContact CB-CG 4.03Å; P173-F454 HydrophobicContact CG-CB 4.05Å; P173-P456 HydrophobicContact CG-CB 4.41Å; P173-P456 HydrophobicContact CG-CG 4.46Å; P173-V514 HydrophobicContact CB-CB 4.26Å; P173-V514 HydrophobicContact CB-CG1 3.39Å; P173-V514 HydrophobicContact CB-CG2 3.86Å; P173-V514 HydrophobicContact CG-CG1 3.99Å; P173-V514 HydrophobicContact CG-CG2 4.36Å
174	G	91.3	Very high	92.8	Very high	47 Å²	47	31.2 Å²	31.2	49%	0.485	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.6	177	0	0	0	0	0	114.8	L172 A176	L172-G174 PolarHBondContact O-N 3.27Å; L172-G174 VanDerWaalsContact O-N 3.09Å; G174-A176 PolarHBondContact O-N 3.26Å
175	E	94.1	Very high	94.1	Very high	33 Å²	33	28.1 Å²	28.1	15%	0.154	18%	0.18	C	C	.	.			trans	-93.8	75.2	-177.9	-167.6	74.9	-179	0	0	110.7	I83 G103 A104 A134 S135 L172 P173	I83-E175 WeakPolarHBondContact CG2-O 3.11Å; G103-E175 CarbonylContact C-O 3.5Å; G103-E175 WeakPolarHBondContact CA-O 3.35Å; A104-E175 HydrophobicContact CB-CB 3.97Å; A104-E175 HydrophobicContact CB-CG 4.14Å; A104-E175 PolarHBondContact N-O 3.01Å; A134-E175 VanDerWaalsContact CA-OE1 3.22Å; A134-E175 WeakPolarHBondContact CA-OE1 3.39Å; A134-E175 HydrophobicContact CB-CG 4.42Å; S135-E175 WeakPolarHBondContact CB-OE2 3.41Å; S135-E175 PolarHBondContact N-OE1 2.57Å; S135-E175 PolarHBondContact OG-OE2 2.85Å; L172-E175 HydrophobicContact CB-CB 4.2Å; L172-E175 HydrophobicContact CD2-CB 3.87Å; L172-E175 HydrophobicContact CD2-CG 4.37Å; L172-E175 HydrophobicContact CG-CB 3.95Å; L172-E175 WeakPolarHBondContact O-CB 3.33Å; L172-E175 PolarHBondContact O-N 3.24Å; P173-E175 VanDerWaalsContact C-N 3.3Å
176	A	93.1	Very high	94.7	Very high	43 Å²	43	27.3 Å²	27.3	36%	0.355	17%	0.169	S	C	.	.			trans	-68.8	153.7	179.4	0	0	0	0	0	112	R85 G174 C178	R85-A176 HydrophobicContact CB-CB 4.46Å; G174-A176 PolarHBondContact O-N 3.26Å; A176-C178 PolarHBondContact O-N 2.89Å
177	L	95.5	Very high	94.8	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	18%	0.18	C	C	.	.			trans	-65.5	124.4	175.9	-175.3	63.3	0	0	0	110.7	I83 R85 N181 F207 N212 M214	I83-L177 HydrophobicContact CB-CD1 4.04Å; I83-L177 HydrophobicContact CG2-CB 3.94Å; I83-L177 HydrophobicContact CG2-CD1 4Å; R85-L177 HydrophobicContact CB-CB 4.38Å; L177-N181 HydrophobicContact CD1-CB 3.92Å; L177-F207 HydrophobicContact CB-CE1 4.41Å; L177-F207 HydrophobicContact CD2-CE1 4.31Å; L177-F207 HydrophobicContact CD2-CZ 4.49Å; L177-F207 HydrophobicContact CG-CE1 3.89Å; L177-F207 HydrophobicContact CG-CZ 4.09Å; L177-F207 VanDerWaalsContact O-CE1 3.26Å; L177-F207 WeakPolarHBondContact O-CE1 3.46Å; L177-N212 HydrophobicContact CD2-CB 4.26Å; L177-N212 WeakPolarHBondContact CD2-OD1 3.47Å; L177-M214 HydrophobicContact CD1-CB 3.88Å; L177-M214 HydrophobicContact CD1-CE 3.83Å; L177-M214 HydrophobicContact CD1-SD 3.96Å; L177-M214 HydrophobicContact CD2-CB 3.84Å
178	C	94.3	Very high	94.7	Very high	45 Å²	45	31.6 Å²	31.6	30%	0.304	19%	0.185	S	C	.	.			trans	-122.9	166.8	177.6	-68.2	0	0	0	0	111.8	A176 E180 N181 L182 F207	A176-C178 PolarHBondContact O-N 2.89Å; C178-E180 HydrophobicContact CB-CG 4.23Å; C178-E180 WeakPolarHBondContact CB-OE1 3.43Å; C178-E180 VanDerWaalsContact CB-OE2 3.29Å; C178-E180 WeakPolarHBondContact CB-OE2 3.47Å; C178-E180 PolarHBondContact O-N 3.21Å; C178-N181 WeakPolarHBondContact CB-OD1 3.25Å; C178-N181 PolarHBondContact N-OD1 2.75Å; C178-N181 PolarHBondContact O-N 3.43Å; C178-N181 VanDerWaalsContact O-N 3.08Å; C178-N181 PolarHBondContact O-OD1 3.34Å; C178-L182 PolarHBondContact O-N 3Å; C178-F207 WeakPolarHBondContact O-CZ 3.25Å
179	S	93.1	Very high	94.6	Very high	63 Å²	63	31.5 Å²	31.5	44%	0.441	19%	0.185	S	C	.	.	H	α-helix	trans	-63.4	-28.4	178.4	49.6	0	0	0	0	113.3	N181 L182 T183	S179-N181 VanDerWaalsContact C-N 3.25Å; S179-N181 PolarHBondContact O-N 2.71Å; S179-L182 PolarHBondContact O-N 2.94Å; S179-T183 PolarHBondContact O-N 3.31Å; S179-T183 PolarHBondContact O-OG1 3.07Å
180	E	93	Very high	94.4	Very high	101 Å²	101	33.6 Å²	33.6	47%	0.472	20%	0.199	S	C	.	.	H	α-helix	trans	-65.9	-25.2	173.6	65.6	-96.8	-161.1	0	0	113.4	C178 P184	C178-E180 HydrophobicContact CB-CG 4.23Å; C178-E180 WeakPolarHBondContact CB-OE1 3.43Å; C178-E180 VanDerWaalsContact CB-OE2 3.29Å; C178-E180 WeakPolarHBondContact CB-OE2 3.47Å; C178-E180 PolarHBondContact O-N 3.21Å; E180-P184 WeakPolarHBondContact O-CD 3.25Å; E180-P184 WeakPolarHBondContact O-CG 3.37Å
181	N	95.7	Very high	94.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-83.6	-36.5	177.1	-48.8	110.4	0	0	0	111.6	I83 F132 C133 L177 C178 S179 T183 P184 W185 M214	I83-N181 HydrophobicContact CD1-CB 4.36Å; F132-N181 PolarHBondContact O-ND2 3.23Å; C133-N181 PolarHBondContact O-ND2 3.06Å; L177-N181 HydrophobicContact CD1-CB 3.92Å; C178-N181 WeakPolarHBondContact CB-OD1 3.25Å; C178-N181 PolarHBondContact N-OD1 2.75Å; C178-N181 PolarHBondContact O-N 3.43Å; C178-N181 VanDerWaalsContact O-N 3.08Å; C178-N181 PolarHBondContact O-OD1 3.34Å; S179-N181 VanDerWaalsContact C-N 3.25Å; S179-N181 PolarHBondContact O-N 2.71Å; N181-T183 VanDerWaalsContact C-N 3.32Å; N181-T183 PolarHBondContact O-N 3.22Å; N181-P184 VanDerWaalsContact O-CD 3.24Å; N181-P184 WeakPolarHBondContact O-CD 3.28Å; N181-P184 VanDerWaalsContact O-CG 3.29Å; N181-P184 WeakPolarHBondContact O-CG 3.21Å; N181-W185 PolarHBondContact O-N 3.11Å; N181-M214 HydrophobicContact CB-CE 3.96Å
182	L	95.2	Very high	93.9	Very high	3 Å²	3	39 Å²	39	2%	0.016	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-36.7	179.5	-178.2	62.5	0	0	0	111.9	C178 S179 W185 T186 P203 L206 F207 M214	C178-L182 PolarHBondContact O-N 3Å; S179-L182 PolarHBondContact O-N 2.94Å; L182-W185 HydrophobicContact CD1-CE3 3.89Å; L182-W185 HydrophobicContact CD1-CZ3 4.39Å; L182-W185 PolarHBondContact O-N 3.31Å; L182-T186 HydrophobicContact CD1-CG2 4.05Å; L182-T186 HydrophobicContact CG-CG2 4.25Å; L182-T186 WeakPolarHBondContact O-CG2 3.47Å; L182-T186 PolarHBondContact O-N 3.08Å; L182-T186 PolarHBondContact O-OG1 2.8Å; L182-P203 HydrophobicContact CD2-CB 4.31Å; L182-P203 HydrophobicContact CD2-CG 4.06Å; L182-L206 HydrophobicContact CD2-CD1 3.75Å; L182-F207 HydrophobicContact CB-CE2 4.44Å; L182-F207 HydrophobicContact CB-CZ 4.42Å; L182-F207 HydrophobicContact CD2-CE2 3.98Å; L182-M214 HydrophobicContact CD1-SD 4.25Å
183	T	93.2	Very high	93.7	Very high	71 Å²	71	40.3 Å²	40.3	44%	0.436	24%	0.236	S	C	.	.	H	α-helix	trans	-58.4	-54.2	-178.9	-58.2	0	0	0	0	113	S179 N181 T186	S179-T183 PolarHBondContact O-N 3.31Å; S179-T183 PolarHBondContact O-OG1 3.07Å; N181-T183 VanDerWaalsContact C-N 3.32Å; N181-T183 PolarHBondContact O-N 3.22Å; T183-T186 PolarHBondContact O-OG1 3.36Å
184	P	94.2	Very high	93.6	Very high	15 Å²	15	45 Å²	45	10%	0.097	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-33.7	175.3	25	-32.5	0	0	0	113	L131 E180 N181 K187	L131-P184 WeakPolarHBondContact O-CB 3.45Å; E180-P184 WeakPolarHBondContact O-CD 3.25Å; E180-P184 WeakPolarHBondContact O-CG 3.37Å; N181-P184 VanDerWaalsContact O-CD 3.24Å; N181-P184 WeakPolarHBondContact O-CD 3.28Å; N181-P184 VanDerWaalsContact O-CG 3.29Å; N181-P184 WeakPolarHBondContact O-CG 3.21Å; P184-K187 WeakPolarHBondContact O-CB 3.39Å; P184-K187 PolarHBondContact O-N 2.94Å; P184-K187 VanDerWaalsContact O-N 3.11Å
185	W	95.9	Very high	93.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.2	-49.9	175.6	-177.7	92.3	0	0	0	111.5	F46 F132 N181 L182 K187 Y188 L189 L201 M214 T215 E236 T237 L238	F46-W185 AromaticContact CD2-CH2 3.93Å; F46-W185 HydrophobicContact CD2-CH2 3.93Å; F46-W185 AromaticContact CE2-CH2 3.9Å; F46-W185 HydrophobicContact CE2-CH2 3.9Å; F132-W185 HydrophobicContact CD1-CB 4.4Å; F132-W185 HydrophobicContact CE1-CB 4.19Å; N181-W185 PolarHBondContact O-N 3.11Å; L182-W185 HydrophobicContact CD1-CE3 3.89Å; L182-W185 HydrophobicContact CD1-CZ3 4.39Å; L182-W185 PolarHBondContact O-N 3.31Å; W185-K187 PolarHBondContact O-N 3.47Å; W185-Y188 PolarHBondContact O-N 3.32Å; W185-L189 HydrophobicContact CZ3-CD1 4.04Å; W185-L201 HydrophobicContact CH2-CD1 4.47Å; W185-L201 HydrophobicContact CZ3-CD1 3.75Å; W185-M214 HydrophobicContact CB-CE 4.05Å; W185-M214 HydrophobicContact CB-CG 4.32Å; W185-M214 HydrophobicContact CB-SD 3.32Å; W185-M214 WeakPolarHBondContact CB-SD 3.38Å; W185-M214 VanDerWaalsContact CD1-CG 3.43Å; W185-M214 VanDerWaalsContact CD1-SD 3.56Å; W185-M214 HydrophobicContact CD2-CG 3.74Å; W185-M214 HydrophobicContact CD2-SD 3.82Å; W185-M214 HydrophobicContact CG-CE 4.18Å; W185-M214 HydrophobicContact CG-CG 3.6Å; W185-M214 HydrophobicContact CG-SD 3.27Å; W185-M214 HydrophobicContact CZ2-CG 4.37Å; W185-T215 PolarHBondContact NE1-O 3.39Å; W185-E236 HydrophobicContact CH2-CB 4.46Å; W185-E236 HydrophobicContact CZ2-CB 3.64Å; W185-E236 HydrophobicContact CZ2-CG 4.43Å; W185-T237 WeakPolarHBondContact CZ2-O 3.37Å; W185-L238 HydrophobicContact CH2-CB 3.94Å; W185-L238 HydrophobicContact CZ2-CB 4.34Å
186	T	94.9	Very high	93.6	Very high	16 Å²	16	46.7 Å²	46.7	10%	0.098	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-15.9	176.7	59.4	0	0	0	0	114.4	L182 T183 Y188 K192 L201	L182-T186 HydrophobicContact CD1-CG2 4.05Å; L182-T186 HydrophobicContact CG-CG2 4.25Å; L182-T186 WeakPolarHBondContact O-CG2 3.47Å; L182-T186 PolarHBondContact O-N 3.08Å; L182-T186 PolarHBondContact O-OG1 2.8Å; T183-T186 PolarHBondContact O-OG1 3.36Å; T186-Y188 PolarHBondContact O-N 2.93Å; T186-K192 VanDerWaalsContact O-CA 3.3Å; T186-K192 WeakPolarHBondContact O-CA 3.01Å; T186-L201 HydrophobicContact CG2-CD1 4.1Å
187	K	92.7	Very high	93.6	Very high	136 Å²	136	44.6 Å²	44.6	59%	0.591	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-17.3	175.7	-68.1	177.5	-175.9	174.3	0	112.9	P184 W185	P184-K187 WeakPolarHBondContact O-CB 3.39Å; P184-K187 PolarHBondContact O-N 2.94Å; P184-K187 VanDerWaalsContact O-N 3.11Å; W185-K187 PolarHBondContact O-N 3.47Å
188	Y	93.4	Very high	93.6	Very high	32 Å²	32	44.5 Å²	44.5	13%	0.125	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-17.7	178.8	-67	-48.9	0	0	0	113.6	P64 S66 I67 L131 F132 W185 T186 I216 E236	P64-Y188 HydrophobicContact CB-CD1 3.15Å; P64-Y188 HydrophobicContact CB-CE1 3.65Å; P64-Y188 HydrophobicContact CB-CG 3.94Å; P64-Y188 HydrophobicContact CG-CD1 3.9Å; P64-Y188 HydrophobicContact CG-CG 4.21Å; S66-Y188 WeakPolarHBondContact OG-CE1 3.24Å; S66-Y188 PolarHBondContact OG-OH 3.3Å; I67-Y188 HydrophobicContact CD1-CE2 4.24Å; I67-Y188 HydrophobicContact CG1-CE1 4.33Å; I67-Y188 HydrophobicContact CG1-CE2 4.45Å; L131-Y188 WeakPolarHBondContact CD1-OH 3.28Å; L131-Y188 WeakPolarHBondContact CD2-OH 3.36Å; F132-Y188 HydrophobicContact CE1-CD2 4.11Å; F132-Y188 AromaticContact CE1-CE2 3.88Å; F132-Y188 HydrophobicContact CE1-CE2 3.88Å; F132-Y188 HydrophobicContact CE2-CE2 4.44Å; F132-Y188 HydrophobicContact CZ-CD2 4.04Å; F132-Y188 AromaticContact CZ-CE2 3.61Å; F132-Y188 HydrophobicContact CZ-CE2 3.61Å; W185-Y188 PolarHBondContact O-N 3.32Å; T186-Y188 PolarHBondContact O-N 2.93Å; Y188-I216 HydrophobicContact CD2-CD1 4.27Å; Y188-E236 WeakPolarHBondContact CB-OE1 3.35Å
189	L	94.5	Very high	93.5	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.031	22%	0.218	C	C	.	.	S	Bend	trans	-67.8	132.4	168.2	-55.9	-179.4	0	0	0	110.5	F46 W185 C191 K192 L201 E236	F46-L189 HydrophobicContact CB-CD2 3.72Å; F46-L189 HydrophobicContact CD1-CD2 3.88Å; F46-L189 HydrophobicContact CD2-CD1 4.28Å; F46-L189 HydrophobicContact CD2-CD2 3.73Å; F46-L189 HydrophobicContact CE1-CD1 4.22Å; F46-L189 HydrophobicContact CE1-CD2 4.39Å; F46-L189 HydrophobicContact CE2-CD1 3.97Å; F46-L189 HydrophobicContact CE2-CD2 4.27Å; F46-L189 HydrophobicContact CG-CD2 3.51Å; F46-L189 HydrophobicContact CZ-CD1 3.94Å; W185-L189 HydrophobicContact CZ3-CD1 4.04Å; L189-C191 VanDerWaalsContact C-N 3.31Å; L189-C191 PolarHBondContact O-N 3.34Å; L189-K192 PolarHBondContact O-N 2.96Å; L189-L201 HydrophobicContact CD1-CD1 3.91Å; L189-E236 HydrophobicContact CD2-CB 4.39Å
190	P	92.6	Very high	93.6	Very high	44 Å²	44	39.6 Å²	39.6	29%	0.286	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-43.8	-178.8	-29.8	36.2	0	0	0	113.9	F26 I62 A271	F26-P190 HydrophobicContact CD1-CB 4.42Å; F26-P190 HydrophobicContact CD1-CG 3.82Å; F26-P190 HydrophobicContact CD2-CG 4.07Å; F26-P190 HydrophobicContact CE1-CB 4.44Å; F26-P190 HydrophobicContact CE1-CG 3.92Å; F26-P190 HydrophobicContact CE2-CG 4.11Å; F26-P190 HydrophobicContact CG-CG 3.93Å; F26-P190 HydrophobicContact CZ-CG 4.06Å; I62-P190 HydrophobicContact CG2-CB 4.41Å; I62-P190 HydrophobicContact CG2-CG 3.43Å; I62-P190 VanDerWaalsContact CG2-CG 3.43Å; P190-A271 HydrophobicContact CB-CB 3.68Å
191	C	92.8	Very high	93.7	Very high	23 Å²	23	35.1 Å²	35.1	16%	0.155	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	4.7	177.4	-66.2	0	0	0	0	114.1	L189 S193 F194 F195 C269	L189-C191 VanDerWaalsContact C-N 3.31Å; L189-C191 PolarHBondContact O-N 3.34Å; C191-S193 PolarHBondContact O-N 3.25Å; C191-F194 PolarHBondContact O-N 3.42Å; C191-F194 VanDerWaalsContact O-N 3.12Å; C191-F195 HydrophobicContact CB-CB 4.25Å; C191-C269 HydrophobicContact CB-CB 3.76Å; C191-C269 WeakPolarHBondContact CB-SG 3.14Å; C191-C269 WeakPolarHBondContact SG-CA 3.15Å; C191-C269 WeakPolarHBondContact SG-CB 3.16Å; C191-C269 CovalentContact SG-SG 2.03Å; C191-C269 PolarHBondContact SG-SG 3Å
192	K	92.9	Very high	93.6	Very high	97 Å²	97	40.1 Å²	40.1	42%	0.422	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	-135.8	-178.1	-56.7	170	179.2	170.9	0	111	T186 L189 F194 G198	T186-K192 VanDerWaalsContact O-CA 3.3Å; T186-K192 WeakPolarHBondContact O-CA 3.01Å; L189-K192 PolarHBondContact O-N 2.96Å; K192-F194 HydrophobicContact CB-CD2 3.87Å; K192-F194 HydrophobicContact CB-CE2 4.08Å; K192-F194 HydrophobicContact CD-CD2 4.14Å; K192-F194 HydrophobicContact CD-CE2 3.74Å; K192-G198 WeakPolarHBondContact O-CA 3.25Å
193	S	91	Very high	93.5	Very high	47 Å²	47	42.4 Å²	42.4	33%	0.329	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	18	173.4	58.3	0	0	0	0	113.7	C191 G198	C191-S193 PolarHBondContact O-N 3.25Å; S193-G198 WeakPolarHBondContact CA-O 3.35Å
194	F	92	Very high	93.5	Very high	118 Å²	118	44.2 Å²	44.2	52%	0.518	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-43.3	-172.9	-61.5	-59.5	0	0	0	113.4	C191 K192 K266	C191-F194 PolarHBondContact O-N 3.42Å; C191-F194 VanDerWaalsContact O-N 3.12Å; K192-F194 HydrophobicContact CB-CD2 3.87Å; K192-F194 HydrophobicContact CB-CE2 4.08Å; K192-F194 HydrophobicContact CD-CD2 4.14Å; K192-F194 HydrophobicContact CD-CE2 3.74Å; F194-K266 VanDerWaalsContact O-CB 3.29Å; F194-K266 WeakPolarHBondContact O-CB 3.47Å; F194-K266 VanDerWaalsContact O-CD 3.25Å; F194-K266 WeakPolarHBondContact O-CD 3.46Å
195	F	92.3	Very high	93.4	Very high	114 Å²	114	44 Å²	44	50%	0.5	22%	0.22	S	C	.	.	S	Bend	trans	-133.1	167.4	-175.7	-62.5	-88.8	0	0	0	111.5	C191 K266	C191-F195 HydrophobicContact CB-CB 4.25Å; F195-K266 VanDerWaalsContact CA-O 3.25Å; F195-K266 WeakPolarHBondContact CA-O 3.07Å; F195-K266 WeakPolarHBondContact CD1-O 3.3Å
196	G	92.5	Very high	93.4	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	64.2	-152.8	177.5	0	0	0	0	0	113.3	E28 G198 S199 K266 G267	E28-G196 WeakPolarHBondContact OE1-CA 3.39Å; G196-G198 PolarHBondContact O-N 3.44Å; G196-S199 WeakPolarHBondContact O-CB 3.25Å; G196-S199 PolarHBondContact O-N 3.39Å; G196-S199 VanDerWaalsContact O-N 3.16Å; G196-S199 PolarHBondContact O-OG 3.2Å; G196-K266 PolarHBondContact N-O 3.27Å; G196-G267 WeakPolarHBondContact CA-O 3.49Å; G196-G267 PolarHBondContact N-O 2.94Å
197	L	94.8	Very high	93.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-65.4	-28.1	179.6	-63.9	-176.8	0	0	0	112.5	E28 L30 F44 F46 S199 L200 F265 V277 T309	E28-L197 HydrophobicContact CB-CD1 3.96Å; E28-L197 HydrophobicContact CB-CG 4.45Å; E28-L197 HydrophobicContact CG-CB 4.44Å; E28-L197 HydrophobicContact CG-CD1 3.91Å; E28-L197 HydrophobicContact CG-CG 4.02Å; E28-L197 PolarHBondContact OE1-N 3.47Å; E28-L197 PolarHBondContact OE2-N 2.89Å; L30-L197 HydrophobicContact CB-CD1 3.9Å; L30-L197 HydrophobicContact CB-CD2 4.06Å; F44-L197 HydrophobicContact CD1-CB 4.25Å; F44-L197 HydrophobicContact CE1-CB 4.41Å; F46-L197 HydrophobicContact CE1-CB 4Å; F46-L197 HydrophobicContact CZ-CB 4.09Å; L197-S199 PolarHBondContact O-N 3.15Å; L197-S199 VanDerWaalsContact O-N 3.13Å; L197-L200 WeakPolarHBondContact O-CB 3.3Å; L197-L200 PolarHBondContact O-N 2.89Å; L197-F265 HydrophobicContact CD2-CD1 4.39Å; L197-F265 HydrophobicContact CD2-CE1 3.55Å; L197-F265 HydrophobicContact CD2-CZ 4.26Å; L197-V277 HydrophobicContact CD2-CG2 4.2Å; L197-T309 HydrophobicContact CD2-CG2 3.89Å
198	G	94.5	Very high	93.3	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.01	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-55.7	-27.8	173.7	0	0	0	0	0	113.7	K192 S193 G196 L200 L201	K192-G198 WeakPolarHBondContact O-CA 3.25Å; S193-G198 WeakPolarHBondContact CA-O 3.35Å; G196-G198 PolarHBondContact O-N 3.44Å; G198-L200 PolarHBondContact O-N 2.85Å; G198-L201 WeakPolarHBondContact O-CB 3.25Å; G198-L201 WeakPolarHBondContact O-CG 3.49Å; G198-L201 PolarHBondContact O-N 2.92Å; G198-L201 VanDerWaalsContact O-N 3.13Å
199	S	93.4	Very high	93.4	Very high	5 Å²	5	44 Å²	44	4%	0.035	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-67	-15.5	177.9	70.1	0	0	0	0	114.8	G196 L197 S263 E264 K266	G196-S199 WeakPolarHBondContact O-CB 3.25Å; G196-S199 PolarHBondContact O-N 3.39Å; G196-S199 VanDerWaalsContact O-N 3.16Å; G196-S199 PolarHBondContact O-OG 3.2Å; L197-S199 PolarHBondContact O-N 3.15Å; L197-S199 VanDerWaalsContact O-N 3.13Å; S199-S263 WeakPolarHBondContact O-CB 3.5Å; S199-S263 PolarHBondContact O-OG 3.08Å; S199-E264 PolarHBondContact OG-O 2.76Å; S199-K266 PolarHBondContact OG-N 3.46Å; S199-K266 VanDerWaalsContact OG-N 3.16Å
200	L	94.6	Very high	93.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-84.4	-12	175.4	-62	-177.8	0	0	0	113.3	L30 F44 L197 G198 R202 I257 L261 F265 T317	L30-L200 HydrophobicContact CD2-CD1 3.95Å; F44-L200 HydrophobicContact CE1-CB 4.02Å; F44-L200 HydrophobicContact CE1-CD1 4.11Å; F44-L200 HydrophobicContact CZ-CB 3.97Å; F44-L200 HydrophobicContact CZ-CD1 4.27Å; L197-L200 WeakPolarHBondContact O-CB 3.3Å; L197-L200 PolarHBondContact O-N 2.89Å; G198-L200 PolarHBondContact O-N 2.85Å; L200-R202 PolarHBondContact O-N 3.33Å; L200-I257 HydrophobicContact CD1-CG2 4.15Å; L200-I257 HydrophobicContact CD2-CG2 4.44Å; L200-L261 HydrophobicContact CB-CD1 4.07Å; L200-L261 HydrophobicContact CD1-CD1 4.11Å; L200-F265 HydrophobicContact CD1-CD1 4.09Å; L200-F265 HydrophobicContact CD1-CE1 3.47Å; L200-F265 VanDerWaalsContact CD1-CE1 3.47Å; L200-F265 HydrophobicContact CD1-CZ 4.16Å; L200-F265 HydrophobicContact CD2-CD1 4.34Å; L200-F265 HydrophobicContact CD2-CE1 4.45Å; L200-F265 HydrophobicContact CG-CD1 4.19Å; L200-F265 HydrophobicContact CG-CE1 4.07Å; L200-T317 HydrophobicContact CD2-CG2 4.36Å
201	L	94.8	Very high	93.6	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.037	22%	0.22	C	C	.	.			trans	-81.9	59.9	-170.4	-54.8	-177.1	0	0	0	113	F44 F46 W185 T186 L189 G198 P203 L206 L238	F44-L201 HydrophobicContact CD1-CD2 3.93Å; F44-L201 HydrophobicContact CD2-CD2 3.95Å; F44-L201 HydrophobicContact CE1-CD2 3.85Å; F44-L201 HydrophobicContact CE2-CD2 3.89Å; F44-L201 HydrophobicContact CG-CD2 3.99Å; F44-L201 HydrophobicContact CZ-CD2 3.84Å; F46-L201 HydrophobicContact CE2-CD1 4.31Å; F46-L201 HydrophobicContact CZ-CD1 4.33Å; W185-L201 HydrophobicContact CH2-CD1 4.47Å; W185-L201 HydrophobicContact CZ3-CD1 3.75Å; T186-L201 HydrophobicContact CG2-CD1 4.1Å; L189-L201 HydrophobicContact CD1-CD1 3.91Å; G198-L201 WeakPolarHBondContact O-CB 3.25Å; G198-L201 WeakPolarHBondContact O-CG 3.49Å; G198-L201 PolarHBondContact O-N 2.92Å; G198-L201 VanDerWaalsContact O-N 3.13Å; L201-P203 WeakPolarHBondContact O-CD 3.3Å; L201-L206 HydrophobicContact CB-CD1 4.21Å; L201-L206 HydrophobicContact CD2-CD1 4.48Å; L201-L238 HydrophobicContact CD2-CD2 3.62Å
202	R	93.6	Very high	93.7	Very high	107 Å²	107	43.6 Å²	43.6	40%	0.404	21%	0.214	S	C	.	.			trans	-82.9	118.3	179.8	-70	-166.1	-176.9	-159.8	3.1	111.6	L200 T204 S205 L206 G262 S263	L200-R202 PolarHBondContact O-N 3.33Å; R202-T204 VanDerWaalsContact C-N 3.29Å; R202-T204 PolarHBondContact O-N 3.04Å; R202-S205 PolarHBondContact O-N 3.3Å; R202-S205 VanDerWaalsContact O-N 3.07Å; R202-L206 VanDerWaalsContact O-CG 3.3Å; R202-L206 WeakPolarHBondContact O-CG 3.42Å; R202-L206 PolarHBondContact O-N 3Å; R202-G262 WeakPolarHBondContact CD-O 3.33Å; R202-G262 VanDerWaalsContact CZ-O 3.28Å; R202-G262 PolarHBondContact NE-O 2.93Å; R202-G262 PolarHBondContact NH1-O 2.99Å; R202-S263 VanDerWaalsContact NE-CB 3.28Å; R202-S263 PolarHBondContact NE-OG 3.43Å; R202-S263 PolarHBondContact NH2-OG 2.8Å
203	P	93.7	Very high	93.9	Very high	51 Å²	51	39 Å²	39	33%	0.331	19%	0.194	S	C	.	.	H	α-helix	trans	-55.5	-43.7	-179.5	-24.6	32.4	0	0	0	112.8	L182 L201 S205 L206 F207	L182-P203 HydrophobicContact CD2-CB 4.31Å; L182-P203 HydrophobicContact CD2-CG 4.06Å; L201-P203 WeakPolarHBondContact O-CD 3.3Å; P203-S205 PolarHBondContact O-N 3.49Å; P203-S205 VanDerWaalsContact O-N 3.11Å; P203-L206 PolarHBondContact O-N 3.22Å; P203-F207 HydrophobicContact CB-CD2 4.11Å; P203-F207 HydrophobicContact CB-CE2 4.17Å; P203-F207 VanDerWaalsContact O-CD2 3.22Å; P203-F207 WeakPolarHBondContact O-CD2 3.18Å; P203-F207 PolarHBondContact O-N 3.19Å
204	T	92.2	Very high	94.2	Very high	108 Å²	108	36.9 Å²	36.9	66%	0.663	18%	0.179	S	C	*	.	H	α-helix	trans	-60.6	-24.2	-178.3	52	0	0	0	0	114.1	R202 K208	R202-T204 VanDerWaalsContact C-N 3.29Å; R202-T204 PolarHBondContact O-N 3.04Å; T204-K208 WeakPolarHBondContact O-CD 3.36Å; T204-K208 WeakPolarHBondContact O-CE 3.13Å; T204-K208 WeakPolarHBondContact O-CG 3.18Å
205	S	92.6	Very high	94.4	Very high	12 Å²	12	32.3 Å²	32.3	8%	0.084	16%	0.161	C	C	.	.	H	α-helix	trans	-93.9	-49.3	174.8	-53.2	0	0	0	0	111	R202 P203 F207 K208 F242 L261	R202-S205 PolarHBondContact O-N 3.3Å; R202-S205 VanDerWaalsContact O-N 3.07Å; P203-S205 PolarHBondContact O-N 3.49Å; P203-S205 VanDerWaalsContact O-N 3.11Å; S205-F207 VanDerWaalsContact C-N 3.29Å; S205-F207 PolarHBondContact O-N 2.9Å; S205-K208 WeakPolarHBondContact O-CB 3.26Å; S205-K208 PolarHBondContact O-N 2.93Å; S205-F242 VanDerWaalsContact O-CE1 3.31Å; S205-F242 WeakPolarHBondContact O-CE1 3.1Å; S205-L261 WeakPolarHBondContact CB-O 3.49Å; S205-L261 VanDerWaalsContact OG-C 3.28Å; S205-L261 PolarHBondContact OG-O 2.9Å
206	L	94.8	Very high	94.7	Very high	4 Å²	4	27 Å²	27	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-56.7	-40.6	-176	-66.7	172.2	0	0	0	112.4	L182 L201 R202 P203 K208 S209 L238 V240 L261	L182-L206 HydrophobicContact CD2-CD1 3.75Å; L201-L206 HydrophobicContact CB-CD1 4.21Å; L201-L206 HydrophobicContact CD2-CD1 4.48Å; R202-L206 VanDerWaalsContact O-CG 3.3Å; R202-L206 WeakPolarHBondContact O-CG 3.42Å; R202-L206 PolarHBondContact O-N 3Å; P203-L206 PolarHBondContact O-N 3.22Å; L206-K208 PolarHBondContact O-N 2.86Å; L206-S209 VanDerWaalsContact O-CB 3.24Å; L206-S209 WeakPolarHBondContact O-CB 3.05Å; L206-S209 PolarHBondContact O-N 3.08Å; L206-S209 VanDerWaalsContact O-N 3.16Å; L206-S209 PolarHBondContact O-OG 2.8Å; L206-L238 HydrophobicContact CD1-CD2 3.7Å; L206-L238 HydrophobicContact CD2-CD2 4.01Å; L206-L238 HydrophobicContact CG-CD2 4.47Å; L206-V240 HydrophobicContact CD2-CG1 3.83Å; L206-V240 HydrophobicContact CD2-CG2 4.06Å; L206-L261 HydrophobicContact CD2-CD2 4.29Å
207	F	93.8	Very high	94.8	Very high	39 Å²	39	27.1 Å²	27.1	17%	0.171	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-2.6	-178	-73.4	-72.3	0	0	0	115.1	R85 L177 C178 L182 P203 S205 S209	R85-F207 PolarHBondContact NH1-O 2.98Å; L177-F207 HydrophobicContact CB-CE1 4.41Å; L177-F207 HydrophobicContact CD2-CE1 4.31Å; L177-F207 HydrophobicContact CD2-CZ 4.49Å; L177-F207 HydrophobicContact CG-CE1 3.89Å; L177-F207 HydrophobicContact CG-CZ 4.09Å; L177-F207 VanDerWaalsContact O-CE1 3.26Å; L177-F207 WeakPolarHBondContact O-CE1 3.46Å; C178-F207 WeakPolarHBondContact O-CZ 3.25Å; L182-F207 HydrophobicContact CB-CE2 4.44Å; L182-F207 HydrophobicContact CB-CZ 4.42Å; L182-F207 HydrophobicContact CD2-CE2 3.98Å; P203-F207 HydrophobicContact CB-CD2 4.11Å; P203-F207 HydrophobicContact CB-CE2 4.17Å; P203-F207 VanDerWaalsContact O-CD2 3.22Å; P203-F207 WeakPolarHBondContact O-CD2 3.18Å; P203-F207 PolarHBondContact O-N 3.19Å; S205-F207 VanDerWaalsContact C-N 3.29Å; S205-F207 PolarHBondContact O-N 2.9Å; F207-S209 VanDerWaalsContact C-N 3.31Å
208	K	93.5	Very high	94.9	Very high	137 Å²	137	27.2 Å²	27.2	60%	0.596	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-12.2	167.7	-62.2	175.9	177.6	174.7	0	112.8	T204 S205 L206 F242	T204-K208 WeakPolarHBondContact O-CD 3.36Å; T204-K208 WeakPolarHBondContact O-CE 3.13Å; T204-K208 WeakPolarHBondContact O-CG 3.18Å; S205-K208 WeakPolarHBondContact O-CB 3.26Å; S205-K208 PolarHBondContact O-N 2.93Å; L206-K208 PolarHBondContact O-N 2.86Å; K208-F242 HydrophobicContact CB-CE1 4.41Å
209	S	95.3	Very high	94.9	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.014	14%	0.141	C	C	.	.	S	Bend	trans	-62.5	153.2	175.6	60.5	0	0	0	0	112.2	L206 F207 Y211 N212 V241	L206-S209 VanDerWaalsContact O-CB 3.24Å; L206-S209 WeakPolarHBondContact O-CB 3.05Å; L206-S209 PolarHBondContact O-N 3.08Å; L206-S209 VanDerWaalsContact O-N 3.16Å; L206-S209 PolarHBondContact O-OG 2.8Å; F207-S209 VanDerWaalsContact C-N 3.31Å; S209-Y211 WeakPolarHBondContact CB-O 3.46Å; S209-Y211 PolarHBondContact OG-O 2.93Å; S209-N212 PolarHBondContact OG-ND2 3.2Å; S209-V241 CarbonylContact C-O 3.55Å; S209-V241 WeakPolarHBondContact CA-O 3.35Å; S209-V241 VanDerWaalsContact CB-O 3.25Å; S209-V241 WeakPolarHBondContact CB-O 3.18Å
210	N	94.6	Very high	94.8	Very high	62 Å²	62	28.2 Å²	28.2	33%	0.332	14%	0.142	S	C	.	.	S	Bend	trans	-76.6	-31.5	176.1	-64.7	63.6	0	0	0	111.4	W92 V241 D243	W92-N210 HydrophobicContact CZ2-CB 4.42Å; N210-V241 PolarHBondContact N-O 2.81Å; N210-D243 VanDerWaalsContact OD1-CB 3.24Å; N210-D243 WeakPolarHBondContact OD1-CB 3.45Å; N210-D243 PolarHBondContact OD1-N 2.93Å
211	Y	95.7	Very high	94.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.7	173.8	174.5	-100.4	0	0	0	109.2	R85 W88 W92 V99 S100 S209 T213 V240 V241	R85-Y211 WeakPolarHBondContact O-CA 3.18Å; W88-Y211 HydrophobicContact CE3-CD1 4.17Å; W88-Y211 HydrophobicContact CE3-CE1 4.1Å; W92-Y211 HydrophobicContact CZ3-CG 4.17Å; V99-Y211 HydrophobicContact CG1-CE1 4.27Å; V99-Y211 HydrophobicContact CG1-CE2 4.3Å; V99-Y211 WeakPolarHBondContact CG1-OH 3.34Å; S100-Y211 PolarHBondContact N-OH 3.06Å; S100-Y211 PolarHBondContact O-OH 2.92Å; S209-Y211 WeakPolarHBondContact CB-O 3.46Å; S209-Y211 PolarHBondContact OG-O 2.93Å; Y211-T213 HydrophobicContact CE1-CG2 3.65Å; Y211-T213 VanDerWaalsContact OH-CB 3.25Å; Y211-T213 WeakPolarHBondContact OH-CB 3.31Å; Y211-T213 WeakPolarHBondContact OH-CG2 3.28Å; Y211-V240 CarbonylContact O-C 3.59Å; Y211-V240 VanDerWaalsContact O-CA 3.3Å; Y211-V240 WeakPolarHBondContact O-CA 3.24Å; Y211-V241 HydrophobicContact CD1-CG2 4.15Å; Y211-V241 PolarHBondContact N-O 2.99Å; Y211-V241 PolarHBondContact O-N 2.83Å
212	N	96.1	Very high	94.5	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	137.3	168.5	48.5	68.1	0	0	0	109.9	S84 R85 L177 S209 T239 V240	S84-N212 CarbonylContact C-O 3.53Å; S84-N212 VanDerWaalsContact CA-O 3.23Å; S84-N212 WeakPolarHBondContact CA-O 3.49Å; R85-N212 WeakPolarHBondContact CB-OD1 3.22Å; R85-N212 PolarHBondContact N-O 3.36Å; R85-N212 PolarHBondContact O-N 3.16Å; L177-N212 HydrophobicContact CD2-CB 4.26Å; L177-N212 WeakPolarHBondContact CD2-OD1 3.47Å; S209-N212 PolarHBondContact OG-ND2 3.2Å; N212-T239 CarbonylContact C-O 3.57Å; N212-T239 VanDerWaalsContact CA-O 3.24Å; N212-T239 WeakPolarHBondContact CA-O 3.19Å; N212-V240 HydrophobicContact CB-CG1 3.78Å
213	T	96.7	Very high	94.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.3	173.1	-175	0	0	0	0	109.4	S84 Y211 L238 T239	S84-T213 VanDerWaalsContact OG-CB 3.31Å; S84-T213 WeakPolarHBondContact OG-CB 3.47Å; S84-T213 PolarHBondContact OG-OG1 2.89Å; Y211-T213 HydrophobicContact CE1-CG2 3.65Å; Y211-T213 VanDerWaalsContact OH-CB 3.25Å; Y211-T213 WeakPolarHBondContact OH-CB 3.31Å; Y211-T213 WeakPolarHBondContact OH-CG2 3.28Å; T213-L238 CarbonylContact O-C 3.19Å; T213-L238 WeakPolarHBondContact O-CA 3.08Å; T213-T239 PolarHBondContact N-O 2.82Å; T213-T239 PolarHBondContact O-N 2.81Å
214	M	96.7	Very high	93.8	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.02	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.7	176.5	179.4	-174.7	79.8	0	0	107.3	S82 I83 F132 L177 N181 L182 W185 T237 L238	S82-M214 CarbonylContact C-O 3.49Å; S82-M214 VanDerWaalsContact CA-O 3.27Å; S82-M214 WeakPolarHBondContact CA-O 3.31Å; I83-M214 HydrophobicContact CD1-CE 4.11Å; I83-M214 PolarHBondContact N-O 3.19Å; I83-M214 PolarHBondContact O-N 2.92Å; F132-M214 HydrophobicContact CD1-CE 4.46Å; L177-M214 HydrophobicContact CD1-CB 3.88Å; L177-M214 HydrophobicContact CD1-CE 3.83Å; L177-M214 HydrophobicContact CD1-SD 3.96Å; L177-M214 HydrophobicContact CD2-CB 3.84Å; N181-M214 HydrophobicContact CB-CE 3.96Å; L182-M214 HydrophobicContact CD1-SD 4.25Å; W185-M214 HydrophobicContact CB-CE 4.05Å; W185-M214 HydrophobicContact CB-CG 4.32Å; W185-M214 HydrophobicContact CB-SD 3.32Å; W185-M214 WeakPolarHBondContact CB-SD 3.38Å; W185-M214 VanDerWaalsContact CD1-CG 3.43Å; W185-M214 VanDerWaalsContact CD1-SD 3.56Å; W185-M214 HydrophobicContact CD2-CG 3.74Å; W185-M214 HydrophobicContact CD2-SD 3.82Å; W185-M214 HydrophobicContact CG-CE 4.18Å; W185-M214 HydrophobicContact CG-CG 3.6Å; W185-M214 HydrophobicContact CG-SD 3.27Å; W185-M214 HydrophobicContact CZ2-CG 4.37Å; M214-T237 CarbonylContact C-O 3.6Å; M214-T237 WeakPolarHBondContact CA-O 3.09Å; M214-L238 HydrophobicContact CB-CD1 4Å; M214-L238 HydrophobicContact CG-CD1 4.5Å
215	T	97.2	Very high	93.3	Very high	21 Å²	21	32.7 Å²	32.7	13%	0.129	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150	178.7	78.9	0	0	0	0	111.1	L81 W185 E236 T237	L81-T215 CarbonylContact O-C 3.49Å; L81-T215 VanDerWaalsContact O-CA 3.23Å; L81-T215 WeakPolarHBondContact O-CA 3.19Å; W185-T215 PolarHBondContact NE1-O 3.39Å; T215-E236 WeakPolarHBondContact O-CA 3.36Å; T215-T237 PolarHBondContact N-O 3.16Å; T215-T237 PolarHBondContact O-N 2.84Å; T215-T237 WeakPolarHBondContact OG1-CB 3.36Å; T215-T237 PolarHBondContact OG1-N 2.86Å; T215-T237 PolarHBondContact OG1-OG1 3Å
216	I	97	Very high	92.9	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	133.2	163.3	-174.4	169.9	0	0	0	108.3	I67 L81 F132 Y188 I234 M235 E236	I67-I216 HydrophobicContact CD1-CD1 4.23Å; I67-I216 HydrophobicContact CG1-CD1 4.26Å; L81-I216 HydrophobicContact CB-CG2 3.97Å; L81-I216 HydrophobicContact CD2-CG2 4.21Å; L81-I216 HydrophobicContact CG-CG2 4.46Å; L81-I216 PolarHBondContact N-O 2.79Å; L81-I216 PolarHBondContact O-N 3.44Å; F132-I216 HydrophobicContact CE1-CG2 4.12Å; F132-I216 HydrophobicContact CE2-CG2 3.99Å; F132-I216 HydrophobicContact CZ-CB 4.44Å; F132-I216 HydrophobicContact CZ-CD1 3.81Å; F132-I216 HydrophobicContact CZ-CG2 3.58Å; Y188-I216 HydrophobicContact CD2-CD1 4.27Å; I216-I234 HydrophobicContact CD1-CG2 4.37Å; I216-I234 HydrophobicContact CG1-CG2 4.28Å; I216-M235 CarbonylContact C-O 3.54Å; I216-M235 WeakPolarHBondContact CA-O 3.48Å; I216-E236 HydrophobicContact CB-CG 4.09Å; I216-E236 HydrophobicContact CD1-CG 3.84Å; I216-E236 HydrophobicContact CG1-CG 3.68Å
217	G	96.3	Very high	92.5	Very high	5 Å²	5	42.3 Å²	42.3	5%	0.052	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	152.2	175.1	0	0	0	0	0	111.3	F79 I234 M235	F79-G217 CarbonylContact O-C 3.58Å; F79-G217 WeakPolarHBondContact O-CA 3.12Å; G217-I234 VanDerWaalsContact O-CA 3.31Å; G217-I234 WeakPolarHBondContact O-CA 3.27Å; G217-M235 PolarHBondContact N-O 2.75Å; G217-M235 PolarHBondContact O-N 2.91Å
218	I	95.6	Very high	92.1	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136	166.4	-168.9	172.9	0	0	0	108.4	I67 E78 F79 L232 E233 I234	I67-I218 HydrophobicContact CG2-CB 4.44Å; I67-I218 HydrophobicContact CG2-CD1 4.31Å; E78-I218 VanDerWaalsContact CA-O 3.23Å; E78-I218 WeakPolarHBondContact CA-O 3.27Å; E78-I218 WeakPolarHBondContact CG-O 3.28Å; F79-I218 HydrophobicContact CD1-CG2 3.27Å; F79-I218 HydrophobicContact CE1-CB 4.2Å; F79-I218 HydrophobicContact CE1-CG2 3.27Å; F79-I218 HydrophobicContact CG-CG2 4.13Å; F79-I218 HydrophobicContact CZ-CG2 4.11Å; F79-I218 PolarHBondContact N-O 3.09Å; F79-I218 VanDerWaalsContact N-O 3.11Å; F79-I218 PolarHBondContact O-N 2.65Å; I218-L232 HydrophobicContact CD1-CD1 4.46Å; I218-L232 HydrophobicContact CD1-CD2 4.47Å; I218-E233 CarbonylContact C-O 3.54Å; I218-E233 VanDerWaalsContact CA-O 3.27Å; I218-E233 WeakPolarHBondContact CA-O 3.35Å; I218-I234 HydrophobicContact CB-CG1 4.19Å; I218-I234 HydrophobicContact CD1-CD1 4.32Å; I218-I234 HydrophobicContact CD1-CG1 4.06Å; I218-I234 HydrophobicContact CG1-CG1 3.87Å
219	R	94.1	Very high	91.8	Very high	13 Å²	13	42.5 Å²	42.5	5%	0.049	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	163	171.8	65.8	175.4	177.3	-179.5	-2	110.7	E78 V221 E233 N487 A489	E78-R219 HydrophobicContact CG-CB 3.96Å; R219-V221 HydrophobicContact CG-CG1 4.06Å; R219-E233 HydrophobicContact CG-CB 4.31Å; R219-E233 IonicContact CZ-OE1 2.82Å; R219-E233 PolarHBondContact N-O 3.17Å; R219-E233 IonicContact NE-OE1 3.15Å; R219-E233 PolarHBondContact NE-OE1 2.86Å; R219-E233 IonicContact NH2-OE1 3.45Å; R219-E233 PolarHBondContact NH2-OE1 2.76Å; R219-E233 IonicContact NH2-OE2 2.85Å; R219-E233 PolarHBondContact O-N 3.22Å; R219-N487 PolarHBondContact NH1-O 2.82Å; R219-N487 PolarHBondContact NH1-OD1 3.18Å; R219-A489 PolarHBondContact NH2-O 3.39Å
220	R	92.3	Very high	91.6	Very high	15 Å²	15	44.3 Å²	44.3	6%	0.057	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	137.8	169	-75.2	177.6	177.4	98.7	14.2	110.6	E52 D77 G156 V157 I230 G231 L232	E52-R220 IonicContact OE1-CZ 3.65Å; E52-R220 IonicContact OE1-NE 2.69Å; E52-R220 PolarHBondContact OE1-NE 2.93Å; E52-R220 IonicContact OE1-NH2 2.96Å; E52-R220 PolarHBondContact OE1-NH2 3Å; D77-R220 VanDerWaalsContact CA-NH1 3.25Å; D77-R220 IonicContact OD1-CZ 2.67Å; D77-R220 IonicContact OD1-NH1 3.34Å; D77-R220 PolarHBondContact OD1-NH1 3.29Å; G156-R220 CarbonylContact C-O 3.52Å; G156-R220 WeakPolarHBondContact CA-O 3.48Å; V157-R220 HydrophobicContact CG2-CB 4.02Å; V157-R220 PolarHBondContact N-O 3.4Å; V157-R220 VanDerWaalsContact O-CB 3.27Å; V157-R220 WeakPolarHBondContact O-CB 3.23Å; R220-I230 HydrophobicContact CB-CG2 3.99Å; R220-I230 HydrophobicContact CG-CG2 4.07Å; R220-G231 CarbonylContact C-O 3.38Å; R220-G231 VanDerWaalsContact CA-O 3.27Å; R220-G231 WeakPolarHBondContact CA-O 3.45Å; R220-L232 HydrophobicContact CG-CD2 3.97Å
221	V	92.2	Very high	91.4	Very high	19 Å²	19	41.3 Å²	41.3	12%	0.115	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	157.7	178.1	-63.6	0	0	0	0	110.3	R219 L223 G231 E233	R219-V221 HydrophobicContact CG-CG1 4.06Å; V221-L223 HydrophobicContact CG2-CD2 4.31Å; V221-G231 PolarHBondContact N-O 2.86Å; V221-G231 PolarHBondContact O-N 3.47Å; V221-E233 HydrophobicContact CG1-CB 3.91Å; V221-E233 HydrophobicContact CG2-CB 3.99Å
222	C	90.2	Very high	91.2	Very high	52 Å²	52	41.4 Å²	41.4	35%	0.351	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	125.1	170.2	-55.4	0	0	0	0	108.8	D224 C227	C222-D224 VanDerWaalsContact C-N 3.34Å; C222-C227 HydrophobicContact CB-CB 3.62Å; C222-C227 WeakPolarHBondContact CB-SG 3.5Å; C222-C227 WeakPolarHBondContact SG-CB 3.3Å; C222-C227 CovalentContact SG-SG 2.02Å; C222-C227 PolarHBondContact SG-SG 3.21Å
223	L	88.1	Confident	91.2	Very high	61 Å²	61	41.3 Å²	41.3	32%	0.319	21%	0.214	S	C	.	.	S	Bend	trans	-82.8	-16.2	175.7	-61.5	178.9	0	0	0	112.5	V221 T229	V221-L223 HydrophobicContact CG2-CD2 4.31Å; L223-T229 PolarHBondContact N-O 2.99Å
224	D	84.8	Confident	91.1	Very high	44 Å²	44	41.5 Å²	41.5	24%	0.235	22%	0.215	C	C	.	.	S	Bend	trans	-125.4	154.3	175.5	68	-63.1	0	0	0	111.7	C222 K226 C227 H228 T229	C222-D224 VanDerWaalsContact C-N 3.34Å; D224-K226 PolarHBondContact O-N 2.86Å; D224-K226 VanDerWaalsContact O-N 3.13Å; D224-K226 PolarHBondContact OD2-N 3.25Å; D224-C227 PolarHBondContact O-N 2.86Å; D224-C227 WeakPolarHBondContact OD1-CA 3.29Å; D224-C227 PolarHBondContact OD2-N 3.26Å; D224-C227 VanDerWaalsContact OD2-N 3.12Å; D224-H228 VanDerWaalsContact CG-N 3.32Å; D224-H228 PolarHBondContact OD1-N 2.74Å; D224-H228 IonicContact OD2-CG 3.73Å; D224-H228 PolarHBondContact OD2-N 2.6Å; D224-H228 IonicContact OD2-ND1 3.77Å; D224-H228 PolarHBondContact OD2-ND1 3.05Å; D224-T229 PolarHBondContact OD1-N 2.73Å; D224-T229 PolarHBondContact OD1-OG1 2.88Å
225	L	81.7	Confident	91.1	Very high	190 Å²	190	43.3 Å²	43.3	100%	0.995	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-29.8	-179.1	-72.4	167.1	0	0	0	113.8
226	K	84.4	Confident	91.1	Very high	171 Å²	171	42.7 Å²	42.7	74%	0.743	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-1.6	179.1	-63.9	-175.6	-176.7	179.7	0	112.7	D224 H228	D224-K226 PolarHBondContact O-N 2.86Å; D224-K226 VanDerWaalsContact O-N 3.13Å; D224-K226 PolarHBondContact OD2-N 3.25Å; K226-H228 VanDerWaalsContact C-N 3.3Å; K226-H228 WeakPolarHBondContact CB-CE1 3.42Å; K226-H228 VanDerWaalsContact CB-ND1 3.28Å; K226-H228 WeakPolarHBondContact CB-ND1 3.47Å; K226-H228 PolarHBondContact O-N 3.29Å
227	C	86.2	Confident	91.1	Very high	47 Å²	47	43 Å²	43	32%	0.318	22%	0.222	S	C	.	.			trans	54.3	36.6	-178.4	-152.7	0	0	0	0	115	C222 D224 T229	C222-C227 HydrophobicContact CB-CB 3.62Å; C222-C227 WeakPolarHBondContact CB-SG 3.5Å; C222-C227 WeakPolarHBondContact SG-CB 3.3Å; C222-C227 CovalentContact SG-SG 2.02Å; C222-C227 PolarHBondContact SG-SG 3.21Å; D224-C227 PolarHBondContact O-N 2.86Å; D224-C227 WeakPolarHBondContact OD1-CA 3.29Å; D224-C227 PolarHBondContact OD2-N 3.26Å; D224-C227 VanDerWaalsContact OD2-N 3.12Å; C227-T229 VanDerWaalsContact C-N 3.29Å
228	H	86.1	Confident	91.1	Very high	146 Å²	146	42.9 Å²	42.9	68%	0.676	22%	0.22	S	C	*	.			trans	-70.7	-31.3	170.3	-66.1	91.4	0	0	0	111.9	D224 K226	D224-H228 VanDerWaalsContact CG-N 3.32Å; D224-H228 PolarHBondContact OD1-N 2.74Å; D224-H228 IonicContact OD2-CG 3.73Å; D224-H228 PolarHBondContact OD2-N 2.6Å; D224-H228 IonicContact OD2-ND1 3.77Å; D224-H228 PolarHBondContact OD2-ND1 3.05Å; K226-H228 VanDerWaalsContact C-N 3.3Å; K226-H228 WeakPolarHBondContact CB-CE1 3.42Å; K226-H228 VanDerWaalsContact CB-ND1 3.28Å; K226-H228 WeakPolarHBondContact CB-ND1 3.47Å; K226-H228 PolarHBondContact O-N 3.29Å
229	T	87.6	Confident	91.2	Very high	34 Å²	34	42.8 Å²	42.8	21%	0.209	22%	0.22	C	C	.	.	S	Bend	trans	-112	113.5	-177.9	51.2	0	0	0	0	109.8	L223 D224 C227	L223-T229 PolarHBondContact N-O 2.99Å; D224-T229 PolarHBondContact OD1-N 2.73Å; D224-T229 PolarHBondContact OD1-OG1 2.88Å; C227-T229 VanDerWaalsContact C-N 3.29Å
230	I	89.5	Confident	91.3	Very high	40 Å²	40	42.2 Å²	42.2	21%	0.205	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	131.4	173.4	-56.6	177.1	0	0	0	107.9	E52 V157 R220	E52-I230 HydrophobicContact CG-CB 4.44Å; E52-I230 HydrophobicContact CG-CG2 4.07Å; E52-I230 PolarHBondContact N-O 2.81Å; E52-I230 VanDerWaalsContact N-O 3.17Å; V157-I230 HydrophobicContact CG2-CG2 4.35Å; R220-I230 HydrophobicContact CB-CG2 3.99Å; R220-I230 HydrophobicContact CG-CG2 4.07Å
231	G	91.2	Very high	91.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	168.5	171.8	0	0	0	0	0	112	T50 R220 V221	T50-G231 CarbonylContact O-C 3.51Å; T50-G231 WeakPolarHBondContact O-CA 3.23Å; R220-G231 CarbonylContact C-O 3.38Å; R220-G231 VanDerWaalsContact CA-O 3.27Å; R220-G231 WeakPolarHBondContact CA-O 3.45Å; V221-G231 PolarHBondContact N-O 2.86Å; V221-G231 PolarHBondContact O-N 3.47Å
232	L	92.4	Very high	91.7	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	139.3	165.8	-59.1	172	0	0	0	108.5	T49 T50 E52 F55 I68 I218 R220	T49-L232 VanDerWaalsContact CA-O 3.29Å; T49-L232 WeakPolarHBondContact CA-O 3.47Å; T50-L232 HydrophobicContact CG2-CB 4.33Å; T50-L232 PolarHBondContact N-O 2.66Å; T50-L232 PolarHBondContact O-N 3.49Å; E52-L232 HydrophobicContact CG-CD2 4.21Å; E52-L232 HydrophobicContact CG-CG 4.13Å; F55-L232 HydrophobicContact CE1-CD1 4.01Å; F55-L232 HydrophobicContact CE2-CD1 3.6Å; F55-L232 HydrophobicContact CE2-CD2 4.08Å; F55-L232 HydrophobicContact CE2-CG 4.13Å; F55-L232 HydrophobicContact CZ-CD1 3.3Å; F55-L232 HydrophobicContact CZ-CD2 4.01Å; F55-L232 HydrophobicContact CZ-CG 4.15Å; I68-L232 HydrophobicContact CG1-CD1 4.39Å; I68-L232 HydrophobicContact CG2-CD1 4.03Å; I218-L232 HydrophobicContact CD1-CD1 4.46Å; I218-L232 HydrophobicContact CD1-CD2 4.47Å; R220-L232 HydrophobicContact CG-CD2 3.97Å
233	E	94.5	Very high	91.9	Very high	2 Å²	2	39 Å²	39	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.6	168.5	-178.2	-174.1	78.4	0	0	108.6	A48 T49 I218 R219 V221 S490	A48-E233 CarbonylContact O-C 3.56Å; A48-E233 WeakPolarHBondContact O-CA 3.4Å; T49-E233 HydrophobicContact CG2-CB 3.99Å; T49-E233 HydrophobicContact CG2-CG 3.87Å; I218-E233 CarbonylContact C-O 3.54Å; I218-E233 VanDerWaalsContact CA-O 3.27Å; I218-E233 WeakPolarHBondContact CA-O 3.35Å; R219-E233 HydrophobicContact CG-CB 4.31Å; R219-E233 IonicContact CZ-OE1 2.82Å; R219-E233 PolarHBondContact N-O 3.17Å; R219-E233 IonicContact NE-OE1 3.15Å; R219-E233 PolarHBondContact NE-OE1 2.86Å; R219-E233 IonicContact NH2-OE1 3.45Å; R219-E233 PolarHBondContact NH2-OE1 2.76Å; R219-E233 IonicContact NH2-OE2 2.85Å; R219-E233 PolarHBondContact O-N 3.22Å; V221-E233 HydrophobicContact CG1-CB 3.91Å; V221-E233 HydrophobicContact CG2-CB 3.99Å; E233-S490 WeakPolarHBondContact OE2-CA 3.46Å; E233-S490 WeakPolarHBondContact OE2-CB 3.32Å; E233-S490 PolarHBondContact OE2-OG 3.31Å
234	I	95.5	Very high	92.1	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.2	165	-65.4	177.4	0	0	0	107.5	A48 L63 P64 I67 I68 I216 G217 I218 E236	A48-I234 PolarHBondContact N-O 2.9Å; A48-I234 PolarHBondContact O-N 3.46Å; L63-I234 HydrophobicContact CB-CD1 4.4Å; L63-I234 HydrophobicContact CD2-CB 4.44Å; L63-I234 HydrophobicContact CD2-CD1 3.87Å; L63-I234 HydrophobicContact CD2-CG1 3.99Å; L63-I234 HydrophobicContact CG-CD1 4.38Å; P64-I234 HydrophobicContact CG-CD1 3.74Å; I67-I234 HydrophobicContact CB-CD1 4.09Å; I67-I234 HydrophobicContact CG2-CD1 3.81Å; I67-I234 HydrophobicContact CG2-CG1 4.45Å; I68-I234 HydrophobicContact CG1-CD1 4.18Å; I216-I234 HydrophobicContact CD1-CG2 4.37Å; I216-I234 HydrophobicContact CG1-CG2 4.28Å; G217-I234 VanDerWaalsContact O-CA 3.31Å; G217-I234 WeakPolarHBondContact O-CA 3.27Å; I218-I234 HydrophobicContact CB-CG1 4.19Å; I218-I234 HydrophobicContact CD1-CD1 4.32Å; I218-I234 HydrophobicContact CD1-CG1 4.06Å; I218-I234 HydrophobicContact CG1-CG1 3.87Å; I234-E236 HydrophobicContact CG2-CG 4.46Å
235	M	96	Very high	92.4	Very high	42 Å²	42	36.2 Å²	36.2	21%	0.207	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.4	178.9	-169.8	172.1	66.8	0	0	109.6	F46 I216 G217 T237 L485	F46-M235 WeakPolarHBondContact O-CA 3.3Å; I216-M235 CarbonylContact C-O 3.54Å; I216-M235 WeakPolarHBondContact CA-O 3.48Å; G217-M235 PolarHBondContact N-O 2.75Å; G217-M235 PolarHBondContact O-N 2.91Å; M235-T237 HydrophobicContact CG-CG2 4.07Å; M235-L485 HydrophobicContact SD-CD2 4.02Å
236	E	97	Very high	92.9	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.6	177.3	-76.9	177.6	-126	0	0	108.3	F46 W185 Y188 L189 T215 I216 I234	F46-E236 HydrophobicContact CB-CB 4.16Å; F46-E236 WeakPolarHBondContact CB-O 3.25Å; F46-E236 PolarHBondContact N-O 2.89Å; F46-E236 PolarHBondContact O-N 2.98Å; W185-E236 HydrophobicContact CH2-CB 4.46Å; W185-E236 HydrophobicContact CZ2-CB 3.64Å; W185-E236 HydrophobicContact CZ2-CG 4.43Å; Y188-E236 WeakPolarHBondContact CB-OE1 3.35Å; L189-E236 HydrophobicContact CD2-CB 4.39Å; T215-E236 WeakPolarHBondContact O-CA 3.36Å; I216-E236 HydrophobicContact CB-CG 4.09Å; I216-E236 HydrophobicContact CD1-CG 3.84Å; I216-E236 HydrophobicContact CG1-CG 3.68Å; I234-E236 HydrophobicContact CG2-CG 4.46Å
237	T	97.4	Very high	93.2	Very high	9 Å²	9	28 Å²	28	6%	0.055	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.7	177.4	83.5	0	0	0	0	112.1	F44 W185 M214 T215 M235	F44-T237 CarbonylContact O-C 3.57Å; F44-T237 WeakPolarHBondContact O-CA 3.3Å; F44-T237 WeakPolarHBondContact O-CB 3.34Å; W185-T237 WeakPolarHBondContact CZ2-O 3.37Å; M214-T237 CarbonylContact C-O 3.6Å; M214-T237 WeakPolarHBondContact CA-O 3.09Å; T215-T237 PolarHBondContact N-O 3.16Å; T215-T237 PolarHBondContact O-N 2.84Å; T215-T237 WeakPolarHBondContact OG1-CB 3.36Å; T215-T237 PolarHBondContact OG1-N 2.86Å; T215-T237 PolarHBondContact OG1-OG1 3Å; M235-T237 HydrophobicContact CG-CG2 4.07Å
238	L	97.3	Very high	93.5	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	115.8	170.9	-178.1	78.9	0	0	0	108.6	H43 F44 W185 L201 L206 T213 M214 V240	H43-L238 WeakPolarHBondContact CA-O 3.45Å; F44-L238 HydrophobicContact CB-CB 4.28Å; F44-L238 HydrophobicContact CD2-CB 4.37Å; F44-L238 HydrophobicContact CD2-CD2 4.3Å; F44-L238 PolarHBondContact N-O 2.85Å; F44-L238 PolarHBondContact O-N 2.89Å; W185-L238 HydrophobicContact CH2-CB 3.94Å; W185-L238 HydrophobicContact CZ2-CB 4.34Å; L201-L238 HydrophobicContact CD2-CD2 3.62Å; L206-L238 HydrophobicContact CD1-CD2 3.7Å; L206-L238 HydrophobicContact CD2-CD2 4.01Å; L206-L238 HydrophobicContact CG-CD2 4.47Å; T213-L238 CarbonylContact O-C 3.19Å; T213-L238 WeakPolarHBondContact O-CA 3.08Å; M214-L238 HydrophobicContact CB-CD1 4Å; M214-L238 HydrophobicContact CG-CD1 4.5Å; L238-V240 HydrophobicContact CD2-CG1 4.44Å; L238-V240 HydrophobicContact CG-CG1 4.29Å
239	T	97.3	Very high	93.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.7	173.8	-45.8	0	0	0	0	109.4	F42 H43 V97 N212 T213	F42-T239 CarbonylContact O-C 3.59Å; F42-T239 WeakPolarHBondContact O-CA 3.45Å; H43-T239 HydrophobicContact CB-CG2 4.33Å; H43-T239 PolarHBondContact ND1-OG1 3.23Å; V97-T239 HydrophobicContact CG2-CG2 3.86Å; N212-T239 CarbonylContact C-O 3.57Å; N212-T239 VanDerWaalsContact CA-O 3.24Å; N212-T239 WeakPolarHBondContact CA-O 3.19Å; T213-T239 PolarHBondContact N-O 2.82Å; T213-T239 PolarHBondContact O-N 2.81Å
240	V	96.9	Very high	93.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.2	175.2	-63.7	0	0	0	0	111	A41 F42 L206 Y211 N212 L238 F242	A41-V240 CarbonylContact C-O 3.59Å; A41-V240 VanDerWaalsContact CA-O 3.28Å; A41-V240 WeakPolarHBondContact CA-O 3.41Å; F42-V240 HydrophobicContact CB-CG2 3.79Å; F42-V240 HydrophobicContact CD2-CG2 4.34Å; F42-V240 PolarHBondContact N-O 3.44Å; F42-V240 PolarHBondContact O-N 2.99Å; L206-V240 HydrophobicContact CD2-CG1 3.83Å; L206-V240 HydrophobicContact CD2-CG2 4.06Å; Y211-V240 CarbonylContact O-C 3.59Å; Y211-V240 VanDerWaalsContact O-CA 3.3Å; Y211-V240 WeakPolarHBondContact O-CA 3.24Å; N212-V240 HydrophobicContact CB-CG1 3.78Å; L238-V240 HydrophobicContact CD2-CG1 4.44Å; L238-V240 HydrophobicContact CG-CG1 4.29Å; V240-F242 HydrophobicContact CB-CE2 3.99Å; V240-F242 HydrophobicContact CG2-CD2 4.25Å; V240-F242 HydrophobicContact CG2-CE2 3.53Å; V240-F242 HydrophobicContact CG2-CZ 4.36Å
241	V	96.8	Very high	93.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.6	177.5	-178.7	0	0	0	0	109.8	L35 Y39 T40 A41 W88 W92 S209 N210 Y211	L35-V241 HydrophobicContact CD1-CG1 3.68Å; L35-V241 HydrophobicContact CD1-CG2 4.06Å; Y39-V241 HydrophobicContact CD1-CG1 4.35Å; T40-V241 WeakPolarHBondContact O-CA 3.45Å; A41-V241 HydrophobicContact CB-CG2 4.06Å; W88-V241 HydrophobicContact CZ3-CG2 3.93Å; W92-V241 HydrophobicContact CD2-CG1 4.02Å; W92-V241 HydrophobicContact CE3-CB 4.47Å; W92-V241 HydrophobicContact CE3-CG1 4.15Å; W92-V241 HydrophobicContact CE3-CG2 4.17Å; W92-V241 HydrophobicContact CH2-CB 4.17Å; W92-V241 HydrophobicContact CH2-CG1 4.02Å; W92-V241 HydrophobicContact CZ2-CB 4.49Å; W92-V241 HydrophobicContact CZ2-CG1 3.85Å; W92-V241 HydrophobicContact CZ3-CB 4.12Å; W92-V241 HydrophobicContact CZ3-CG1 4.12Å; W92-V241 HydrophobicContact CZ3-CG2 4.04Å; S209-V241 CarbonylContact C-O 3.55Å; S209-V241 WeakPolarHBondContact CA-O 3.35Å; S209-V241 VanDerWaalsContact CB-O 3.25Å; S209-V241 WeakPolarHBondContact CB-O 3.18Å; N210-V241 PolarHBondContact N-O 2.81Å; Y211-V241 HydrophobicContact CD1-CG2 4.15Å; Y211-V241 PolarHBondContact N-O 2.99Å; Y211-V241 PolarHBondContact O-N 2.83Å
242	F	96	Very high	92.8	Very high	2 Å²	2	39 Å²	39	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.8	-179.2	-69.2	-89.1	0	0	0	111.5	Y39 T40 F42 S205 K208 V240 R244 L247 I260 L261	Y39-F242 VanDerWaalsContact CA-O 3.3Å; Y39-F242 WeakPolarHBondContact CA-O 3.09Å; T40-F242 PolarHBondContact N-O 2.81Å; T40-F242 PolarHBondContact O-N 3.24Å; F42-F242 HydrophobicContact CD2-CD2 4.04Å; F42-F242 HydrophobicContact CD2-CE2 4.17Å; F42-F242 HydrophobicContact CE2-CD2 4.18Å; S205-F242 VanDerWaalsContact O-CE1 3.31Å; S205-F242 WeakPolarHBondContact O-CE1 3.1Å; K208-F242 HydrophobicContact CB-CE1 4.41Å; V240-F242 HydrophobicContact CB-CE2 3.99Å; V240-F242 HydrophobicContact CG2-CD2 4.25Å; V240-F242 HydrophobicContact CG2-CE2 3.53Å; V240-F242 HydrophobicContact CG2-CZ 4.36Å; F242-R244 PolarHBondContact O-N 2.82Å; F242-L247 HydrophobicContact CB-CD1 4.35Å; F242-L247 HydrophobicContact CD1-CD1 4.06Å; F242-I260 HydrophobicContact CB-CG2 3.99Å; F242-I260 HydrophobicContact CD1-CG2 3.85Å; F242-I260 HydrophobicContact CD2-CG2 3.37Å; F242-I260 HydrophobicContact CE1-CG2 4.11Å; F242-I260 HydrophobicContact CE2-CG2 3.65Å; F242-I260 HydrophobicContact CG-CG2 3.46Å; F242-I260 VanDerWaalsContact CG-CG2 3.46Å; F242-I260 HydrophobicContact CZ-CG2 4.01Å; F242-L261 HydrophobicContact CE2-CD2 3.72Å; F242-L261 HydrophobicContact CZ-CD2 4.05Å
243	D	94.2	Very high	92.6	Very high	16 Å²	16	40.4 Å²	40.4	9%	0.086	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	106.3	162.2	-165.9	-31.4	0	0	0	110	Y39 N210 S245 L246	Y39-D243 HydrophobicContact CD1-CB 3.98Å; Y39-D243 HydrophobicContact CE1-CB 3.55Å; Y39-D243 VanDerWaalsContact CE1-CG 3.49Å; Y39-D243 WeakPolarHBondContact CE1-OD2 3.17Å; Y39-D243 PolarHBondContact OH-OD2 3.44Å; N210-D243 VanDerWaalsContact OD1-CB 3.24Å; N210-D243 WeakPolarHBondContact OD1-CB 3.45Å; N210-D243 PolarHBondContact OD1-N 2.93Å; D243-S245 PolarHBondContact O-N 3.47Å; D243-S245 VanDerWaalsContact OD1-CB 3.27Å; D243-S245 WeakPolarHBondContact OD1-CB 3.33Å; D243-S245 PolarHBondContact OD1-N 2.6Å; D243-S245 PolarHBondContact OD1-OG 3.37Å; D243-L246 HydrophobicContact CB-CD1 3.97Å; D243-L246 HydrophobicContact CB-CG 4Å; D243-L246 PolarHBondContact O-N 2.78Å; D243-L246 VanDerWaalsContact O-N 3.14Å
244	R	91.8	Very high	92.3	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-62.4	-25.3	178.9	-64.9	-166	-60.8	-94.1	14.6	112.2	D34 G38 Y39 T40 F242 L246 L247 F248 I260	D34-R244 VanDerWaalsContact CG-NH1 3.26Å; D34-R244 IonicContact OD1-CZ 3.32Å; D34-R244 IonicContact OD1-NH1 3.47Å; D34-R244 PolarHBondContact OD1-NH1 2.9Å; D34-R244 VanDerWaalsContact OD1-NH1 3.15Å; D34-R244 IonicContact OD1-NH2 2.75Å; D34-R244 PolarHBondContact OD1-NH2 2.75Å; D34-R244 IonicContact OD2-CZ 3.56Å; D34-R244 IonicContact OD2-NH1 2.91Å; D34-R244 PolarHBondContact OD2-NH1 2.89Å; D34-R244 IonicContact OD2-NH2 3.05Å; D34-R244 PolarHBondContact OD2-NH2 2.91Å; G38-R244 WeakPolarHBondContact O-CB 3.28Å; G38-R244 VanDerWaalsContact O-CG 3.28Å; G38-R244 WeakPolarHBondContact O-CG 3.4Å; G38-R244 PolarHBondContact O-N 3.26Å; Y39-R244 VanDerWaalsContact C-NH1 3.31Å; Y39-R244 PolarHBondContact O-NH1 3.07Å; Y39-R244 VanDerWaalsContact O-NH1 3.15Å; T40-R244 WeakPolarHBondContact OG1-CD 3.34Å; T40-R244 PolarHBondContact OG1-NH1 3.05Å; F242-R244 PolarHBondContact O-N 2.82Å; R244-L246 PolarHBondContact O-N 2.87Å; R244-L247 PolarHBondContact O-N 3.13Å; R244-L247 VanDerWaalsContact O-N 3.09Å; R244-F248 HydrophobicContact CB-CD2 3.93Å; R244-F248 HydrophobicContact CB-CE2 4.29Å; R244-F248 HydrophobicContact CG-CD2 4.44Å; R244-F248 HydrophobicContact CG-CE2 4.32Å; R244-F248 WeakPolarHBondContact O-CD2 3.34Å; R244-F248 PolarHBondContact O-N 2.83Å; R244-I260 HydrophobicContact CG-CD1 4.42Å
245	S	90.4	Very high	92.1	Very high	47 Å²	47	44.1 Å²	44.1	33%	0.329	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-68.7	-17.9	178.1	73.7	0	0	0	0	113.5	D243	D243-S245 PolarHBondContact O-N 3.47Å; D243-S245 VanDerWaalsContact OD1-CB 3.27Å; D243-S245 WeakPolarHBondContact OD1-CB 3.33Å; D243-S245 PolarHBondContact OD1-N 2.6Å; D243-S245 PolarHBondContact OD1-OG 3.37Å
246	L	91.9	Very high	91.9	Very high	124 Å²	124	42.8 Å²	42.8	65%	0.649	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-86.6	-18	173	-58.3	-179.3	0	0	0	112.9	D243 R244	D243-L246 HydrophobicContact CB-CD1 3.97Å; D243-L246 HydrophobicContact CB-CG 4Å; D243-L246 PolarHBondContact O-N 2.78Å; D243-L246 VanDerWaalsContact O-N 3.14Å; R244-L246 PolarHBondContact O-N 2.87Å
247	L	91	Very high	91.7	Very high	65 Å²	65	42.4 Å²	42.4	34%	0.34	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-29.2	-176.1	-60.2	179.5	0	0	0	112.7	F242 R244 I260	F242-L247 HydrophobicContact CB-CD1 4.35Å; F242-L247 HydrophobicContact CD1-CD1 4.06Å; R244-L247 PolarHBondContact O-N 3.13Å; R244-L247 VanDerWaalsContact O-N 3.09Å; L247-I260 HydrophobicContact CD1-CG1 4.35Å; L247-I260 HydrophobicContact CD1-CG2 4.14Å
248	F	92.3	Very high	91.5	Very high	42 Å²	42	47.8 Å²	47.8	18%	0.184	25%	0.254	C	S	.	.	S	Bend	trans	-130.1	152.1	-175	-49.3	-73.2	0	0	0	111.2	R244 K250 W255 S259 I260	R244-F248 HydrophobicContact CB-CD2 3.93Å; R244-F248 HydrophobicContact CB-CE2 4.29Å; R244-F248 HydrophobicContact CG-CD2 4.44Å; R244-F248 HydrophobicContact CG-CE2 4.32Å; R244-F248 WeakPolarHBondContact O-CD2 3.34Å; R244-F248 PolarHBondContact O-N 2.83Å; F248-K250 VanDerWaalsContact C-N 3.25Å; F248-K250 PolarHBondContact O-N 2.79Å; F248-W255 HydrophobicContact CD2-CB 4.46Å; F248-W255 HydrophobicContact CE2-CB 3.71Å; F248-W255 HydrophobicContact CZ-CB 3.77Å; F248-S259 VanDerWaalsContact CZ-OG 3.3Å; F248-S259 WeakPolarHBondContact CZ-OG 3.38Å; F248-I260 HydrophobicContact CE2-CG1 4.07Å; F248-I260 HydrophobicContact CZ-CG1 4.03Å
249	A	88.3	Confident	91.3	Very high	106 Å²	106	50.1 Å²	50.1	88%	0.876	27%	0.271	S	S	*	.	S	Bend	trans	-62.3	-27.3	-177.4	0	0	0	0	0	114.5
250	K	86.5	Confident	91.2	Very high	146 Å²	146	50.5 Å²	50.5	64%	0.635	27%	0.273	S	S	*	.	S	Bend	trans	-135.4	148.9	177.6	-61.4	-178.1	-179.1	179.6	0	109.7	F248 T252 S253	F248-K250 VanDerWaalsContact C-N 3.25Å; F248-K250 PolarHBondContact O-N 2.79Å; K250-T252 VanDerWaalsContact C-N 3.29Å; K250-T252 PolarHBondContact O-N 3.05Å; K250-S253 PolarHBondContact N-OG 3.25Å; K250-S253 VanDerWaalsContact O-CB 3.24Å; K250-S253 WeakPolarHBondContact O-CB 3.36Å; K250-S253 PolarHBondContact O-N 3.42Å; K250-S253 VanDerWaalsContact O-N 3.16Å; K250-S253 PolarHBondContact O-OG 3.28Å
251	R	82.6	Confident	91.1	Very high	140 Å²	140	50.5 Å²	50.5	53%	0.528	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-33.2	177.6	-68.7	-178.9	-177.7	173.7	0.3	113.6	S253	R251-S253 VanDerWaalsContact C-N 3.32Å
252	T	82	Confident	90.8	Very high	63 Å²	63	52 Å²	52	39%	0.387	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	3.7	178.6	57.1	0	0	0	0	113.1	K250	K250-T252 VanDerWaalsContact C-N 3.29Å; K250-T252 PolarHBondContact O-N 3.05Å
253	S	88.5	Confident	90.5	Very high	31 Å²	31	52 Å²	52	22%	0.217	29%	0.288	C	S	.	.	S	Bend	trans	-58.9	136.7	172.9	-72.6	0	0	0	0	109.4	K250 R251 W255	K250-S253 PolarHBondContact N-OG 3.25Å; K250-S253 VanDerWaalsContact O-CB 3.24Å; K250-S253 WeakPolarHBondContact O-CB 3.36Å; K250-S253 PolarHBondContact O-N 3.42Å; K250-S253 VanDerWaalsContact O-N 3.16Å; K250-S253 PolarHBondContact O-OG 3.28Å; R251-S253 VanDerWaalsContact C-N 3.32Å; S253-W255 PolarHBondContact O-N 3.25Å
254	P	89.4	Confident	90.3	Very high	79 Å²	79	53.9 Å²	53.9	51%	0.513	30%	0.296	S	S	.	.			trans	-61	136.6	175.2	25.8	-32.8	0	0	0	109.6	P320 F321	P254-P320 HydrophobicContact CB-CB 3.85Å; P254-F321 CarbonylContact C-O 3.5Å; P254-F321 WeakPolarHBondContact CA-O 3.48Å
255	W	91.2	Very high	89.9	Confident	3 Å²	3	54.5 Å²	54.5	1%	0.011	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-127.2	155.9	180	60.8	-90.3	0	0	0	109.5	I32 T40 F42 F248 S253 I260 M286 P320 F321	I32-W255 HydrophobicContact CG2-CH2 3.89Å; I32-W255 HydrophobicContact CG2-CZ3 4.48Å; T40-W255 HydrophobicContact CG2-CH2 3.6Å; T40-W255 HydrophobicContact CG2-CZ2 3.88Å; T40-W255 HydrophobicContact CG2-CZ3 4.09Å; F42-W255 AromaticContact CZ-CZ3 3.95Å; F42-W255 HydrophobicContact CZ-CZ3 3.95Å; F248-W255 HydrophobicContact CD2-CB 4.46Å; F248-W255 HydrophobicContact CE2-CB 3.71Å; F248-W255 HydrophobicContact CZ-CB 3.77Å; S253-W255 PolarHBondContact O-N 3.25Å; W255-I260 HydrophobicContact CB-CD1 4.27Å; W255-I260 HydrophobicContact CD2-CD1 3.76Å; W255-I260 HydrophobicContact CE3-CD1 3.39Å; W255-I260 HydrophobicContact CE3-CG1 4.26Å; W255-I260 HydrophobicContact CG-CD1 4.16Å; W255-I260 HydrophobicContact CZ3-CD1 4.02Å; W255-M286 HydrophobicContact CH2-CE 4.28Å; W255-M286 HydrophobicContact CZ2-CE 3.77Å; W255-M286 HydrophobicContact CZ2-SD 4.07Å; W255-P320 CarbonylContact O-C 3.58Å; W255-P320 WeakPolarHBondContact O-CA 3.44Å; W255-F321 HydrophobicContact CD2-CB 3.8Å; W255-F321 HydrophobicContact CD2-CD2 4.3Å; W255-F321 HydrophobicContact CD2-CG 4.33Å; W255-F321 HydrophobicContact CE3-CB 4.15Å; W255-F321 AromaticContact CE3-CD2 3.77Å; W255-F321 HydrophobicContact CE3-CD2 3.77Å; W255-F321 HydrophobicContact CE3-CG 4.17Å; W255-F321 HydrophobicContact CG-CB 4.36Å; W255-F321 HydrophobicContact CH2-CB 4Å; W255-F321 HydrophobicContact CH2-CD1 4.14Å; W255-F321 AromaticContact CH2-CD2 3.88Å; W255-F321 HydrophobicContact CH2-CD2 3.88Å; W255-F321 HydrophobicContact CH2-CE2 4.45Å; W255-F321 AromaticContact CH2-CG 3.73Å; W255-F321 HydrophobicContact CH2-CG 3.73Å; W255-F321 HydrophobicContact CZ2-CB 3.65Å; W255-F321 HydrophobicContact CZ2-CD1 4.38Å; W255-F321 HydrophobicContact CZ2-CD2 4.41Å; W255-F321 AromaticContact CZ2-CG 3.9Å; W255-F321 HydrophobicContact CZ2-CG 3.9Å; W255-F321 HydrophobicContact CZ3-CB 4.23Å; W255-F321 AromaticContact CZ3-CD2 3.53Å; W255-F321 HydrophobicContact CZ3-CD2 3.53Å; W255-F321 HydrophobicContact CZ3-CE2 4.05Å; W255-F321 AromaticContact CZ3-CG 3.87Å; W255-F321 HydrophobicContact CZ3-CG 3.87Å; W255-F321 PolarHBondContact N-O 2.94Å; W255-F321 WeakPolarHBondContact O-CA 3.3Å; W255-F321 WeakPolarHBondContact O-CB 3.41Å; W255-F321 WeakPolarHBondContact O-CD2 3.1Å; W255-F321 PolarHBondContact O-N 3.41Å
256	S	92.1	Very high	89.8	Confident	15 Å²	15	57.3 Å²	57.3	11%	0.105	31%	0.305	C	S	.	.			trans	-128.4	163.5	174.5	71.4	0	0	0	0	110.9	R258 S259 I260 T317 F319	S256-R258 PolarHBondContact O-N 3.12Å; S256-S259 PolarHBondContact N-OG 2.92Å; S256-S259 PolarHBondContact O-N 3.48Å; S256-S259 PolarHBondContact O-OG 3.05Å; S256-S259 WeakPolarHBondContact OG-CB 3.35Å; S256-S259 PolarHBondContact OG-N 3.45Å; S256-S259 VanDerWaalsContact OG-N 3.11Å; S256-I260 PolarHBondContact O-N 3.38Å; S256-T317 VanDerWaalsContact CB-O 3.23Å; S256-T317 WeakPolarHBondContact CB-O 3.41Å; S256-T317 PolarHBondContact OG-O 3.01Å; S256-F319 WeakPolarHBondContact CA-O 3.02Å; S256-F319 WeakPolarHBondContact CB-O 3.22Å
257	I	92.7	Very high	89.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-55.5	-43.9	175.8	-57.2	176.5	0	0	0	109.9	I32 F42 L200 S259 I260 L261 F316 T317 F321	I32-I257 HydrophobicContact CD1-CD1 3.51Å; I32-I257 HydrophobicContact CD1-CG1 3.96Å; F42-I257 HydrophobicContact CE1-CG1 4.29Å; F42-I257 HydrophobicContact CE1-CG2 4.33Å; L200-I257 HydrophobicContact CD1-CG2 4.15Å; L200-I257 HydrophobicContact CD2-CG2 4.44Å; I257-S259 VanDerWaalsContact C-N 3.33Å; I257-S259 PolarHBondContact O-N 3.1Å; I257-I260 PolarHBondContact O-N 2.82Å; I257-L261 HydrophobicContact CG2-CD1 3.67Å; I257-L261 HydrophobicContact CG2-CG 4.22Å; I257-L261 WeakPolarHBondContact O-CB 3.38Å; I257-L261 PolarHBondContact O-N 3.22Å; I257-F316 HydrophobicContact CD1-CD1 3.95Å; I257-F316 HydrophobicContact CD1-CE1 3.49Å; I257-F316 VanDerWaalsContact CD1-CE1 3.49Å; I257-T317 HydrophobicContact CB-CG2 4.46Å; I257-T317 HydrophobicContact CG2-CG2 4.41Å; I257-T317 PolarHBondContact N-O 3.01Å; I257-F321 HydrophobicContact CG1-CE2 4.02Å; I257-F321 HydrophobicContact CG1-CZ 4.49Å
258	R	92.9	Very high	89.5	Confident	121 Å²	121	52.4 Å²	52.4	46%	0.457	29%	0.291	S	S	.	.	H	α-helix	trans	-62.3	-39.1	177	-175	-177.7	-176.8	168	-2.5	111.8	S256 I260 G262 S263 E264 T317 S318	S256-R258 PolarHBondContact O-N 3.12Å; R258-I260 VanDerWaalsContact C-N 3.32Å; R258-I260 PolarHBondContact O-N 3.25Å; R258-G262 WeakPolarHBondContact O-CA 3.43Å; R258-G262 PolarHBondContact O-N 3.11Å; R258-S263 WeakPolarHBondContact CA-O 3.3Å; R258-E264 VanDerWaalsContact CD-OE1 3.3Å; R258-E264 WeakPolarHBondContact CD-OE1 3.45Å; R258-E264 HydrophobicContact CG-CG 4.01Å; R258-E264 IonicContact CZ-OE1 2.88Å; R258-E264 VanDerWaalsContact CZ-OE1 3.32Å; R258-E264 IonicContact CZ-OE2 3.77Å; R258-E264 IonicContact NE-OE1 3.87Å; R258-E264 IonicContact NH1-OE1 3.57Å; R258-E264 PolarHBondContact NH1-OE1 2.89Å; R258-E264 IonicContact NH1-OE2 3.06Å; R258-E264 PolarHBondContact NH1-OE2 3.11Å; R258-T317 VanDerWaalsContact CB-O 3.31Å; R258-T317 WeakPolarHBondContact CB-O 3.41Å; R258-T317 PolarHBondContact N-O 3.37Å; R258-S318 WeakPolarHBondContact CD-OG 3.46Å
259	S	93	Very high	89.5	Confident	52 Å²	52	50.4 Å²	50.4	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-68	-30.9	-179.8	73	0	0	0	0	113.3	F248 S256 I257	F248-S259 VanDerWaalsContact CZ-OG 3.3Å; F248-S259 WeakPolarHBondContact CZ-OG 3.38Å; S256-S259 PolarHBondContact N-OG 2.92Å; S256-S259 PolarHBondContact O-N 3.48Å; S256-S259 PolarHBondContact O-OG 3.05Å; S256-S259 WeakPolarHBondContact OG-CB 3.35Å; S256-S259 PolarHBondContact OG-N 3.45Å; S256-S259 VanDerWaalsContact OG-N 3.11Å; I257-S259 VanDerWaalsContact C-N 3.33Å; I257-S259 PolarHBondContact O-N 3.1Å
260	I	94.9	Very high	89.6	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-91.3	-51	179.8	-61	179.6	0	0	0	111.2	T40 F42 F242 R244 L247 F248 W255 S256 I257 R258	T40-I260 HydrophobicContact CG2-CD1 4.41Å; F42-I260 HydrophobicContact CE2-CB 4.23Å; F42-I260 HydrophobicContact CE2-CD1 4.08Å; F42-I260 HydrophobicContact CE2-CG2 3.77Å; F42-I260 HydrophobicContact CZ-CB 4.35Å; F42-I260 HydrophobicContact CZ-CD1 4.15Å; F42-I260 HydrophobicContact CZ-CG2 4.39Å; F242-I260 HydrophobicContact CB-CG2 3.99Å; F242-I260 HydrophobicContact CD1-CG2 3.85Å; F242-I260 HydrophobicContact CD2-CG2 3.37Å; F242-I260 HydrophobicContact CE1-CG2 4.11Å; F242-I260 HydrophobicContact CE2-CG2 3.65Å; F242-I260 HydrophobicContact CG-CG2 3.46Å; F242-I260 VanDerWaalsContact CG-CG2 3.46Å; F242-I260 HydrophobicContact CZ-CG2 4.01Å; R244-I260 HydrophobicContact CG-CD1 4.42Å; L247-I260 HydrophobicContact CD1-CG1 4.35Å; L247-I260 HydrophobicContact CD1-CG2 4.14Å; F248-I260 HydrophobicContact CE2-CG1 4.07Å; F248-I260 HydrophobicContact CZ-CG1 4.03Å; W255-I260 HydrophobicContact CB-CD1 4.27Å; W255-I260 HydrophobicContact CD2-CD1 3.76Å; W255-I260 HydrophobicContact CE3-CD1 3.39Å; W255-I260 HydrophobicContact CE3-CG1 4.26Å; W255-I260 HydrophobicContact CG-CD1 4.16Å; W255-I260 HydrophobicContact CZ3-CD1 4.02Å; S256-I260 PolarHBondContact O-N 3.38Å; I257-I260 PolarHBondContact O-N 2.82Å; R258-I260 VanDerWaalsContact C-N 3.32Å; R258-I260 PolarHBondContact O-N 3.25Å
261	L	94.8	Very high	89.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-85.1	-12.2	-176.7	-58	-175.7	0	0	0	113.2	F42 F44 L200 S205 L206 F242 I257 S263	F42-L261 HydrophobicContact CD1-CD1 4.05Å; F42-L261 HydrophobicContact CD2-CD2 4.12Å; F42-L261 HydrophobicContact CE1-CD1 4.23Å; F42-L261 HydrophobicContact CE1-CG 4.48Å; F42-L261 HydrophobicContact CE2-CD2 4.38Å; F42-L261 HydrophobicContact CG-CD1 4.37Å; F42-L261 HydrophobicContact CG-CD2 4.3Å; F42-L261 HydrophobicContact CZ-CG 4.49Å; F44-L261 HydrophobicContact CZ-CD1 3.99Å; L200-L261 HydrophobicContact CB-CD1 4.07Å; L200-L261 HydrophobicContact CD1-CD1 4.11Å; S205-L261 WeakPolarHBondContact CB-O 3.49Å; S205-L261 VanDerWaalsContact OG-C 3.28Å; S205-L261 PolarHBondContact OG-O 2.9Å; L206-L261 HydrophobicContact CD2-CD2 4.29Å; F242-L261 HydrophobicContact CE2-CD2 3.72Å; F242-L261 HydrophobicContact CZ-CD2 4.05Å; I257-L261 HydrophobicContact CG2-CD1 3.67Å; I257-L261 HydrophobicContact CG2-CG 4.22Å; I257-L261 WeakPolarHBondContact O-CB 3.38Å; I257-L261 PolarHBondContact O-N 3.22Å; L261-S263 PolarHBondContact O-N 2.77Å
262	G	91.1	Very high	90.4	Very high	30 Å²	30	41 Å²	41	31%	0.309	24%	0.241	S	C	.	.	S	Bend	trans	66.9	18.4	176.5	0	0	0	0	0	114.6	R202 R258	R202-G262 WeakPolarHBondContact CD-O 3.33Å; R202-G262 VanDerWaalsContact CZ-O 3.28Å; R202-G262 PolarHBondContact NE-O 2.93Å; R202-G262 PolarHBondContact NH1-O 2.99Å; R258-G262 WeakPolarHBondContact O-CA 3.43Å; R258-G262 PolarHBondContact O-N 3.11Å
263	S	89.7	Confident	91	Very high	2 Å²	2	42 Å²	42	1%	0.014	24%	0.244	C	C	.	.			trans	-142.9	166.1	-178.1	-152.1	0	0	0	0	111.3	S199 R202 R258 L261	S199-S263 WeakPolarHBondContact O-CB 3.5Å; S199-S263 PolarHBondContact O-OG 3.08Å; R202-S263 VanDerWaalsContact NE-CB 3.28Å; R202-S263 PolarHBondContact NE-OG 3.43Å; R202-S263 PolarHBondContact NH2-OG 2.8Å; R258-S263 WeakPolarHBondContact CA-O 3.3Å; L261-S263 PolarHBondContact O-N 2.77Å
264	E	88.6	Confident	91.2	Very high	56 Å²	56	41.3 Å²	41.3	26%	0.262	24%	0.239	S	C	.	.			trans	-121.6	162.8	175.6	-55	-168.4	126.4	0	0	109.9	S199 R258 K266 T317 S318	S199-E264 PolarHBondContact OG-O 2.76Å; R258-E264 VanDerWaalsContact CD-OE1 3.3Å; R258-E264 WeakPolarHBondContact CD-OE1 3.45Å; R258-E264 HydrophobicContact CG-CG 4.01Å; R258-E264 IonicContact CZ-OE1 2.88Å; R258-E264 VanDerWaalsContact CZ-OE1 3.32Å; R258-E264 IonicContact CZ-OE2 3.77Å; R258-E264 IonicContact NE-OE1 3.87Å; R258-E264 IonicContact NH1-OE1 3.57Å; R258-E264 PolarHBondContact NH1-OE1 2.89Å; R258-E264 IonicContact NH1-OE2 3.06Å; R258-E264 PolarHBondContact NH1-OE2 3.11Å; E264-K266 PolarHBondContact O-N 3.1Å; E264-T317 WeakPolarHBondContact CA-OG1 3.22Å; E264-T317 WeakPolarHBondContact CB-OG1 3.17Å; E264-T317 WeakPolarHBondContact CG-OG1 3.25Å; E264-S318 PolarHBondContact OE1-OG 2.88Å
265	F	84.3	Confident	91.5	Very high	15 Å²	15	37.8 Å²	37.8	7%	0.066	22%	0.216	C	C	.	.			trans	-62.9	123.8	171.8	-67.6	-52.2	0	0	0	110.6	L197 L200 V277 L312 F316 T317	L197-F265 HydrophobicContact CD2-CD1 4.39Å; L197-F265 HydrophobicContact CD2-CE1 3.55Å; L197-F265 HydrophobicContact CD2-CZ 4.26Å; L200-F265 HydrophobicContact CD1-CD1 4.09Å; L200-F265 HydrophobicContact CD1-CE1 3.47Å; L200-F265 VanDerWaalsContact CD1-CE1 3.47Å; L200-F265 HydrophobicContact CD1-CZ 4.16Å; L200-F265 HydrophobicContact CD2-CD1 4.34Å; L200-F265 HydrophobicContact CD2-CE1 4.45Å; L200-F265 HydrophobicContact CG-CD1 4.19Å; L200-F265 HydrophobicContact CG-CE1 4.07Å; F265-V277 HydrophobicContact CZ-CG2 3.85Å; F265-L312 HydrophobicContact CD2-CD1 4.48Å; F265-L312 HydrophobicContact CE2-CD1 3.77Å; F265-L312 HydrophobicContact CZ-CD1 4.4Å; F265-F316 HydrophobicContact CD2-CD1 4.28Å; F265-F316 AromaticContact CE2-CD1 3.45Å; F265-F316 HydrophobicContact CE2-CD1 3.45Å; F265-F316 VanDerWaalsContact CE2-CD1 3.45Å; F265-F316 AromaticContact CE2-CE1 3.94Å; F265-F316 HydrophobicContact CE2-CE1 3.94Å; F265-F316 HydrophobicContact CE2-CG 4.31Å; F265-F316 HydrophobicContact CZ-CD1 4.31Å; F265-F316 HydrophobicContact CZ-CE1 4.41Å; F265-T317 HydrophobicContact CB-CG2 4.44Å; F265-T317 HydrophobicContact CD1-CG2 4.4Å; F265-T317 HydrophobicContact CD2-CG2 3.45Å; F265-T317 VanDerWaalsContact CD2-CG2 3.45Å; F265-T317 HydrophobicContact CE2-CG2 3.69Å; F265-T317 HydrophobicContact CG-CG2 3.83Å; F265-T317 HydrophobicContact CZ-CG2 4.22Å
266	K	87.6	Confident	91.6	Very high	105 Å²	105	40.9 Å²	40.9	46%	0.457	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-99.1	78.4	171.1	-66.3	-177.9	178	-179.8	0	109.6	F194 F195 G196 S199 E264	F194-K266 VanDerWaalsContact O-CB 3.29Å; F194-K266 WeakPolarHBondContact O-CB 3.47Å; F194-K266 VanDerWaalsContact O-CD 3.25Å; F194-K266 WeakPolarHBondContact O-CD 3.46Å; F195-K266 VanDerWaalsContact CA-O 3.25Å; F195-K266 WeakPolarHBondContact CA-O 3.07Å; F195-K266 WeakPolarHBondContact CD1-O 3.3Å; G196-K266 PolarHBondContact N-O 3.27Å; S199-K266 PolarHBondContact OG-N 3.46Å; S199-K266 VanDerWaalsContact OG-N 3.16Å; E264-K266 PolarHBondContact O-N 3.1Å
267	G	86.7	Confident	91.7	Very high	52 Å²	52	40.2 Å²	40.2	54%	0.536	22%	0.223	S	C	.	.	S	Bend	trans	59.3	-172.8	179.6	0	0	0	0	0	114.5	G196	G196-G267 WeakPolarHBondContact CA-O 3.49Å; G196-G267 PolarHBondContact N-O 2.94Å
268	F	90.2	Very high	91.8	Very high	34 Å²	34	40.4 Å²	40.4	15%	0.149	22%	0.224	C	C	.	.			trans	-89	148.6	176.1	179.5	-99.2	0	0	0	110.8	D270 A272 T309 K310	F268-D270 PolarHBondContact O-N 2.83Å; F268-A272 WeakPolarHBondContact CE1-O 3.41Å; F268-A272 HydrophobicContact CZ-CB 3.99Å; F268-A272 WeakPolarHBondContact CZ-O 3.35Å; F268-T309 WeakPolarHBondContact CD2-OG1 3.47Å; F268-K310 HydrophobicContact CB-CG 4.27Å; F268-K310 HydrophobicContact CD1-CG 4.3Å; F268-K310 HydrophobicContact CD2-CB 4.41Å; F268-K310 HydrophobicContact CD2-CD 4.14Å; F268-K310 HydrophobicContact CD2-CG 3.24Å; F268-K310 HydrophobicContact CE2-CD 3.98Å; F268-K310 HydrophobicContact CE2-CG 3.5Å; F268-K310 VanDerWaalsContact CE2-CG 3.5Å; F268-K310 HydrophobicContact CG-CD 4.45Å; F268-K310 HydrophobicContact CG-CG 3.69Å; F268-K310 HydrophobicContact CZ-CD 4.24Å; F268-K310 HydrophobicContact CZ-CG 4.2Å
269	C	92.3	Very high	91.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.203	C	C	.	.			trans	-82.4	103.2	170.9	174.2	0	0	0	0	109.7	C191 A271 A272	C191-C269 HydrophobicContact CB-CB 3.76Å; C191-C269 WeakPolarHBondContact CB-SG 3.14Å; C191-C269 WeakPolarHBondContact SG-CA 3.15Å; C191-C269 WeakPolarHBondContact SG-CB 3.16Å; C191-C269 CovalentContact SG-SG 2.03Å; C191-C269 PolarHBondContact SG-SG 3Å; C269-A271 PolarHBondContact O-N 2.82Å; C269-A272 HydrophobicContact CB-CB 4.16Å; C269-A272 VanDerWaalsContact O-CB 3.28Å; C269-A272 WeakPolarHBondContact O-CB 3.2Å; C269-A272 PolarHBondContact O-N 3.35Å
270	D	91.3	Very high	91.8	Very high	151 Å²	151	32.3 Å²	32.3	81%	0.807	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.9	-176	-66.8	-29.5	0	0	0	114.6	F268 A272	F268-D270 PolarHBondContact O-N 2.83Å; D270-A272 VanDerWaalsContact C-N 3.26Å; D270-A272 PolarHBondContact O-N 2.92Å
271	A	91.4	Very high	91.6	Very high	38 Å²	38	33 Å²	33	31%	0.314	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-14.2	174.1	0	0	0	0	0	113.3	P190 C269	P190-A271 HydrophobicContact CB-CB 3.68Å; C269-A271 PolarHBondContact O-N 2.82Å
272	A	93.7	Very high	91.2	Very high	6 Å²	6	33.4 Å²	33.4	5%	0.05	19%	0.193	C	C	.	.			trans	-84.6	131.5	178	0	0	0	0	0	111.3	F26 E28 F268 C269 D270	F26-A272 HydrophobicContact CD1-CB 3.62Å; F26-A272 HydrophobicContact CE1-CB 3.96Å; F26-A272 CarbonylContact O-C 3.6Å; F26-A272 WeakPolarHBondContact O-CA 3.16Å; E28-A272 HydrophobicContact CG-CB 4.33Å; F268-A272 WeakPolarHBondContact CE1-O 3.41Å; F268-A272 HydrophobicContact CZ-CB 3.99Å; F268-A272 WeakPolarHBondContact CZ-O 3.35Å; C269-A272 HydrophobicContact CB-CB 4.16Å; C269-A272 VanDerWaalsContact O-CB 3.28Å; C269-A272 WeakPolarHBondContact O-CB 3.2Å; C269-A272 PolarHBondContact O-N 3.35Å; D270-A272 VanDerWaalsContact C-N 3.26Å; D270-A272 PolarHBondContact O-N 2.92Å
273	N	93.9	Very high	90.9	Very high	83 Å²	83	32 Å²	32	44%	0.444	18%	0.178	S	C	.	.	S	Bend	trans	-70.4	-43.1	170.4	-65.9	75.6	0	0	0	109.9	N25 F26	N25-N273 WeakPolarHBondContact CA-OD1 3.28Å; N25-N273 WeakPolarHBondContact OD1-CB 3.39Å; N25-N273 PolarHBondContact OD1-ND2 3.38Å; N25-N273 PolarHBondContact OD1-OD1 2.68Å; F26-N273 PolarHBondContact N-OD1 3.48Å; F26-N273 PolarHBondContact O-N 3.36Å
274	S	93.6	Very high	90.5	Very high	18 Å²	18	32.5 Å²	32.5	13%	0.126	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	146	171	78.5	0	0	0	0	112.5	D27 E28	D27-S274 WeakPolarHBondContact CA-O 3.13Å; D27-S274 VanDerWaalsContact CG-OG 3.28Å; D27-S274 VanDerWaalsContact OD1-CB 3.32Å; D27-S274 WeakPolarHBondContact OD1-CB 3.44Å; D27-S274 PolarHBondContact OD1-N 3.42Å; D27-S274 VanDerWaalsContact OD1-N 3.12Å; D27-S274 PolarHBondContact OD1-OG 2.87Å; E28-S274 PolarHBondContact N-O 3.31Å
275	S	94.8	Very high	90	Very high	4 Å²	4	34.3 Å²	34.3	3%	0.028	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	116.9	172.9	177.2	0	0	0	0	109.1	E28 T309	E28-S275 VanDerWaalsContact CD-OG 3.29Å; E28-S275 WeakPolarHBondContact CG-OG 3.39Å; E28-S275 CarbonylContact O-C 3.5Å; E28-S275 WeakPolarHBondContact O-CA 3.41Å; E28-S275 VanDerWaalsContact OE1-CB 3.24Å; E28-S275 WeakPolarHBondContact OE1-CB 3.4Å; E28-S275 PolarHBondContact OE1-OG 2.94Å; S275-T309 WeakPolarHBondContact CB-OG1 3.45Å; S275-T309 PolarHBondContact O-N 2.88Å; S275-T309 PolarHBondContact O-OG1 3.45Å; S275-T309 VanDerWaalsContact OG-CG2 3.24Å; S275-T309 WeakPolarHBondContact OG-CG2 3.42Å; S275-T309 PolarHBondContact OG-OG1 2.78Å
276	R	94.8	Very high	89.7	Confident	69 Å²	69	34.5 Å²	34.5	26%	0.26	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150.6	-170.2	-66.9	-179	173.1	121.6	-3.2	113.2	E28 E29 L30 F278 Y307 S493	E28-R276 PolarHBondContact O-N 3.06Å; E29-R276 CarbonylContact C-O 3.51Å; E29-R276 VanDerWaalsContact CA-O 3.3Å; E29-R276 WeakPolarHBondContact CA-O 3.08Å; E29-R276 HydrophobicContact CG-CB 4.42Å; L30-R276 PolarHBondContact N-O 3.34Å; R276-F278 HydrophobicContact CB-CD2 4.45Å; R276-F278 HydrophobicContact CB-CE2 3.74Å; R276-F278 HydrophobicContact CB-CZ 4Å; R276-Y307 CarbonylContact C-O 3.57Å; R276-Y307 WeakPolarHBondContact CA-O 3.35Å; R276-Y307 WeakPolarHBondContact CB-O 3.27Å; R276-S493 PolarHBondContact NH1-OG 2.97Å
277	V	94.2	Very high	89.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.4	172.5	-177.3	0	0	0	0	108.4	L30 I32 L197 F265 A306 Y307 T309 L312 F316	L30-V277 HydrophobicContact CB-CG1 4.46Å; L30-V277 HydrophobicContact CB-CG2 4.32Å; L30-V277 HydrophobicContact CD2-CG1 4.3Å; L30-V277 HydrophobicContact CG-CG1 4.41Å; L30-V277 CarbonylContact O-C 3.54Å; L30-V277 WeakPolarHBondContact O-CA 3.32Å; I32-V277 HydrophobicContact CD1-CG1 3.86Å; I32-V277 HydrophobicContact CG1-CG1 4.35Å; L197-V277 HydrophobicContact CD2-CG2 4.2Å; F265-V277 HydrophobicContact CZ-CG2 3.85Å; V277-A306 CarbonylContact O-C 3.49Å; V277-A306 WeakPolarHBondContact O-CA 3.35Å; V277-Y307 PolarHBondContact N-O 3.35Å; V277-Y307 PolarHBondContact O-N 2.96Å; V277-T309 HydrophobicContact CG2-CG2 3.77Å; V277-L312 HydrophobicContact CG2-CD1 4.09Å; V277-F316 HydrophobicContact CG1-CE1 4.39Å; V277-F316 HydrophobicContact CG1-CZ 4.39Å
278	F	94.3	Very high	88.8	Confident	5 Å²	5	33 Å²	33	2%	0.022	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.5	175.6	-58.8	-85.1	0	0	0	109.6	E29 L30 L31 I32 R276 L280 V303 A305 A306 F496	E29-F278 HydrophobicContact CB-CE2 4.37Å; E29-F278 HydrophobicContact CG-CE2 4.16Å; L30-F278 PolarHBondContact O-N 3.28Å; L31-F278 CarbonylContact C-O 3.42Å; L31-F278 WeakPolarHBondContact CA-O 3.33Å; L31-F278 HydrophobicContact CD2-CB 3.68Å; L31-F278 HydrophobicContact CD2-CD2 3.76Å; L31-F278 HydrophobicContact CD2-CG 4.02Å; I32-F278 PolarHBondContact N-O 3.11Å; R276-F278 HydrophobicContact CB-CD2 4.45Å; R276-F278 HydrophobicContact CB-CE2 3.74Å; R276-F278 HydrophobicContact CB-CZ 4Å; F278-L280 HydrophobicContact CB-CD2 4.49Å; F278-V303 HydrophobicContact CD1-CG1 4.01Å; F278-V303 HydrophobicContact CD1-CG2 4.42Å; F278-A305 WeakPolarHBondContact CA-O 3.35Å; F278-A306 HydrophobicContact CD1-CB 3.58Å; F278-A306 HydrophobicContact CE1-CB 3.68Å; F278-F496 AromaticContact CD1-CD2 3.97Å; F278-F496 HydrophobicContact CD1-CD2 3.97Å; F278-F496 AromaticContact CD1-CE2 3.95Å; F278-F496 HydrophobicContact CD1-CE2 3.95Å; F278-F496 HydrophobicContact CD2-CE2 4.4Å; F278-F496 AromaticContact CE1-CD2 3.83Å; F278-F496 HydrophobicContact CE1-CD2 3.83Å; F278-F496 HydrophobicContact CE1-CE2 4.2Å; F278-F496 HydrophobicContact CG-CD2 4.5Å; F278-F496 HydrophobicContact CG-CE2 4.05Å; F278-F496 HydrophobicContact CZ-CD2 4.24Å
279	I	93.1	Very high	87.5	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	116.1	167.7	-57.4	169	0	0	0	106.5	L288 L290 L304 A305 Y307 F321	I279-L288 HydrophobicContact CD1-CD1 3.89Å; I279-L288 HydrophobicContact CD1-CD2 3.82Å; I279-L288 HydrophobicContact CG2-CD1 4.21Å; I279-L288 HydrophobicContact CG2-CD2 4.17Å; I279-L290 HydrophobicContact CD1-CD1 3.91Å; I279-L304 HydrophobicContact CG2-CB 4.42Å; I279-L304 HydrophobicContact CG2-CD2 4.4Å; I279-L304 WeakPolarHBondContact O-CB 3.48Å; I279-L304 PolarHBondContact O-N 2.69Å; I279-A305 HydrophobicContact CB-CB 4.49Å; I279-A305 HydrophobicContact CD1-CB 4.33Å; I279-A305 PolarHBondContact N-O 3.06Å; I279-A305 PolarHBondContact O-N 3.06Å; I279-Y307 HydrophobicContact CD1-CE2 3.75Å; I279-Y307 HydrophobicContact CG1-CE2 4.38Å; I279-F321 HydrophobicContact CD1-CE1 3.75Å; I279-F321 HydrophobicContact CD1-CZ 4.25Å; I279-F321 HydrophobicContact CG1-CE1 4.37Å
280	L	93.1	Very high	86.1	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	151.7	-176.7	-61.7	179.7	0	0	0	111.6	L31 I32 K33 F96 F278 S282 R302 V303 L483 F496	L31-L280 HydrophobicContact CB-CD1 3.92Å; L31-L280 HydrophobicContact CB-CG 4.34Å; L31-L280 HydrophobicContact CD1-CD1 4.21Å; L31-L280 HydrophobicContact CD2-CD2 4.33Å; L31-L280 HydrophobicContact CG-CD1 4.48Å; I32-L280 PolarHBondContact O-N 2.82Å; K33-L280 HydrophobicContact CB-CB 4.08Å; K33-L280 HydrophobicContact CB-CD1 4.06Å; K33-L280 HydrophobicContact CD-CB 4.41Å; K33-L280 HydrophobicContact CD-CD1 4.21Å; K33-L280 HydrophobicContact CG-CB 4.09Å; K33-L280 HydrophobicContact CG-CD1 4.46Å; F96-L280 HydrophobicContact CD2-CD1 3.83Å; F96-L280 HydrophobicContact CE2-CD1 3.89Å; F278-L280 HydrophobicContact CB-CD2 4.49Å; L280-S282 PolarHBondContact O-N 2.82Å; L280-R302 WeakPolarHBondContact CA-O 3.42Å; L280-V303 HydrophobicContact CD2-CG2 4.24Å; L280-L483 HydrophobicContact CD1-CD1 3.66Å; L280-L483 HydrophobicContact CD2-CD1 4.1Å; L280-L483 HydrophobicContact CG-CD1 4.39Å; L280-F496 HydrophobicContact CD2-CZ 4.23Å
281	T	90.1	Very high	84.9	Confident	22 Å²	22	33 Å²	33	14%	0.135	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-60.2	130.4	173.6	-56.1	0	0	0	0	110.4	N301 R302 A478 A479	T281-N301 PolarHBondContact OG1-O 2.8Å; T281-R302 PolarHBondContact N-O 2.87Å; T281-R302 VanDerWaalsContact OG1-C 3.31Å; T281-R302 PolarHBondContact OG1-O 3.25Å; T281-A478 HydrophobicContact CG2-CB 4.19Å; T281-A479 HydrophobicContact CG2-CB 4.45Å; T281-A479 WeakPolarHBondContact O-CB 3.44Å
282	S	87.5	Confident	83.4	Confident	9 Å²	9	37.4 Å²	37.4	6%	0.063	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-102	162.7	-172.4	155.8	0	0	0	0	111.5	L280 E284 H477 A479	L280-S282 PolarHBondContact O-N 2.82Å; S282-E284 VanDerWaalsContact CB-O 3.27Å; S282-E284 WeakPolarHBondContact CB-O 3.23Å; S282-E284 PolarHBondContact OG-N 2.73Å; S282-E284 PolarHBondContact OG-O 3.45Å; S282-H477 PolarHBondContact O-CE1 2.81Å; S282-A479 WeakPolarHBondContact O-CB 3.06Å
283	Y	82.9	Confident	81.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-79.1	-21	170.2	-53.3	-66.4	0	0	0	113.3	L35 S328 H332 A479 F480	L35-Y283 WeakPolarHBondContact O-CD2 3.37Å; Y283-S328 VanDerWaalsContact O-CB 3.25Å; Y283-S328 WeakPolarHBondContact O-CB 3.28Å; Y283-S328 PolarHBondContact O-N 2.7Å; Y283-S328 PolarHBondContact O-OG 2.85Å; Y283-H332 WeakPolarHBondContact CB-CE1 3.41Å; Y283-H332 VanDerWaalsContact CB-ND1 3.35Å; Y283-H332 WeakPolarHBondContact CB-ND1 3.38Å; Y283-H332 AromaticContact CD1-ND1 3.97Å; Y283-H332 AromaticContact CD2-ND1 3.47Å; Y283-H332 WeakPolarHBondContact CD2-ND1 3.46Å; Y283-H332 AromaticContact CG-CE1 3.8Å; Y283-H332 AromaticContact CG-ND1 3.32Å; Y283-H332 VanDerWaalsContact CG-ND1 3.32Å; Y283-A479 HydrophobicContact CD1-CB 3.5Å; Y283-A479 VanDerWaalsContact CD1-CB 3.5Å; Y283-A479 HydrophobicContact CE1-CB 3.6Å; Y283-A479 WeakPolarHBondContact CE1-O 3.47Å; Y283-A479 HydrophobicContact CG-CB 4.19Å; Y283-A479 PolarHBondContact OH-O 3.15Å; Y283-F480 HydrophobicContact CD1-CD1 4.47Å; Y283-F480 HydrophobicContact CD1-CD2 4.23Å; Y283-F480 AromaticContact CD1-CE1 3.89Å; Y283-F480 HydrophobicContact CD1-CE1 3.89Å; Y283-F480 AromaticContact CD1-CE2 3.65Å; Y283-F480 HydrophobicContact CD1-CE2 3.65Å; Y283-F480 AromaticContact CD1-CZ 3.43Å; Y283-F480 HydrophobicContact CD1-CZ 3.43Å; Y283-F480 VanDerWaalsContact CD1-CZ 3.43Å; Y283-F480 AromaticContact CE1-CD1 3.56Å; Y283-F480 HydrophobicContact CE1-CD1 3.56Å; Y283-F480 AromaticContact CE1-CD2 3.9Å; Y283-F480 HydrophobicContact CE1-CD2 3.9Å; Y283-F480 AromaticContact CE1-CE1 3.28Å; Y283-F480 HydrophobicContact CE1-CE1 3.28Å; Y283-F480 AromaticContact CE1-CE2 3.67Å; Y283-F480 HydrophobicContact CE1-CE2 3.67Å; Y283-F480 AromaticContact CE1-CG 3.84Å; Y283-F480 HydrophobicContact CE1-CG 3.84Å; Y283-F480 AromaticContact CE1-CZ 3.34Å; Y283-F480 HydrophobicContact CE1-CZ 3.34Å
284	E	81.5	Confident	80.5	Confident	13 Å²	13	44.6 Å²	44.6	6%	0.061	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	145.6	171.7	-67.7	176.4	-160.3	0	0	109	G36 H37 S282 M286 T323	G36-E284 WeakPolarHBondContact CA-OE1 3.39Å; H37-E284 PolarHBondContact N-OE1 3.15Å; S282-E284 VanDerWaalsContact CB-O 3.27Å; S282-E284 WeakPolarHBondContact CB-O 3.23Å; S282-E284 PolarHBondContact OG-N 2.73Å; S282-E284 PolarHBondContact OG-O 3.45Å; E284-M286 PolarHBondContact O-N 2.89Å; E284-T323 PolarHBondContact OE2-OG1 2.99Å
285	D	77.8	Confident	79.6	Confident	94 Å²	94	46.5 Å²	46.5	50%	0.503	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	122.7	175.8	-66.5	-32.6	0	0	0	109.8	D324	D285-D324 PolarHBondContact O-N 3.18Å
286	M	78.9	Confident	78.9	Confident	19 Å²	19	49 Å²	49	9%	0.094	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.1	-179.4	-97.9	-104.2	-82.5	0	0	108.9	D34 W255 E284 L288 F321 T323	D34-M286 HydrophobicContact CB-CE 4.21Å; D34-M286 HydrophobicContact CB-CG 4.22Å; D34-M286 HydrophobicContact CB-SD 4.46Å; W255-M286 HydrophobicContact CH2-CE 4.28Å; W255-M286 HydrophobicContact CZ2-CE 3.77Å; W255-M286 HydrophobicContact CZ2-SD 4.07Å; E284-M286 PolarHBondContact O-N 2.89Å; M286-L288 PolarHBondContact O-N 2.86Å; M286-F321 HydrophobicContact CE-CB 4.3Å; M286-F321 HydrophobicContact CE-CD1 3.68Å; M286-F321 HydrophobicContact CE-CE1 4.49Å; M286-F321 HydrophobicContact CE-CG 4.34Å; M286-F321 HydrophobicContact SD-CB 3.95Å; M286-F321 HydrophobicContact SD-CD1 4.29Å; M286-T323 HydrophobicContact CG-CG2 3.75Å; M286-T323 HydrophobicContact SD-CG2 3.8Å
287	N	78.8	Confident	78.1	Confident	83 Å²	83	52.8 Å²	52.8	44%	0.444	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	116.6	172.9	-73.6	-45.2	0	0	0	109	P289 K322 D324	N287-P289 WeakPolarHBondContact O-CD 3.38Å; N287-K322 PolarHBondContact N-O 2.95Å; N287-D324 PolarHBondContact ND2-OD1 3.29Å; N287-D324 VanDerWaalsContact ND2-OD1 3.1Å; N287-D324 PolarHBondContact ND2-OD2 3.4Å
288	L	76.2	Confident	77.5	Confident	44 Å²	44	54 Å²	54	23%	0.23	29%	0.287	C	S	.	.			trans	-96.9	113.7	175.4	-67.6	-174.8	0	0	0	109.9	I279 M286 L290 L304 A305 F321	I279-L288 HydrophobicContact CD1-CD1 3.89Å; I279-L288 HydrophobicContact CD1-CD2 3.82Å; I279-L288 HydrophobicContact CG2-CD1 4.21Å; I279-L288 HydrophobicContact CG2-CD2 4.17Å; M286-L288 PolarHBondContact O-N 2.86Å; L288-L290 VanDerWaalsContact C-N 3.29Å; L288-L290 HydrophobicContact CB-CB 4.42Å; L288-L290 HydrophobicContact CB-CD1 3.94Å; L288-L290 HydrophobicContact CD1-CD1 4.27Å; L288-L290 HydrophobicContact CD2-CD1 4.23Å; L288-L290 HydrophobicContact CG-CD1 4.39Å; L288-L290 PolarHBondContact O-N 2.96Å; L288-L304 HydrophobicContact CD1-CB 4.47Å; L288-L304 HydrophobicContact CD1-CD2 3.43Å; L288-L304 VanDerWaalsContact CD1-CD2 3.43Å; L288-L304 HydrophobicContact CD1-CG 3.6Å; L288-L304 HydrophobicContact CG-CD2 3.83Å; L288-L304 HydrophobicContact CG-CG 4.49Å; L288-A305 HydrophobicContact CD1-CB 4.05Å; L288-F321 HydrophobicContact CD2-CD1 3.51Å; L288-F321 HydrophobicContact CD2-CE1 3.52Å
289	P	64	Low	76.9	Confident	62 Å²	62	58.1 Å²	58.1	40%	0.403	32%	0.316	S	S	.	.			trans	-80.6	80.7	170.4	32.3	-31.7	0	0	0	108.5	N287 P320	N287-P289 WeakPolarHBondContact O-CD 3.38Å; P289-P320 VanDerWaalsContact CD-O 3.32Å; P289-P320 WeakPolarHBondContact CD-O 3.34Å; P289-P320 HydrophobicContact CG-CG 4.31Å; P289-P320 WeakPolarHBondContact CG-O 3.33Å
290	L	63	Low	76.6	Confident	30 Å²	30	59.4 Å²	59.4	16%	0.157	32%	0.323	C	S	.	.			trans	-127.8	132.8	-172.1	-98.5	138.3	0	0	0	113.3	I279 L288 N292 Y307 F316	I279-L290 HydrophobicContact CD1-CD1 3.91Å; L288-L290 VanDerWaalsContact C-N 3.29Å; L288-L290 HydrophobicContact CB-CB 4.42Å; L288-L290 HydrophobicContact CB-CD1 3.94Å; L288-L290 HydrophobicContact CD1-CD1 4.27Å; L288-L290 HydrophobicContact CD2-CD1 4.23Å; L288-L290 HydrophobicContact CG-CD1 4.39Å; L288-L290 PolarHBondContact O-N 2.96Å; L290-N292 PolarHBondContact O-N 3.03Å; L290-Y307 HydrophobicContact CD1-CE2 4.18Å; L290-Y307 VanDerWaalsContact CD1-OH 3.26Å; L290-Y307 WeakPolarHBondContact CD1-OH 3.07Å; L290-Y307 HydrophobicContact CD2-CD1 4.27Å; L290-Y307 HydrophobicContact CD2-CE1 3.24Å; L290-Y307 HydrophobicContact CD2-CE2 4.05Å; L290-Y307 WeakPolarHBondContact CD2-OH 3.21Å; L290-Y307 HydrophobicContact CG-CE1 4.43Å; L290-Y307 VanDerWaalsContact CG-OH 3.31Å; L290-Y307 WeakPolarHBondContact CG-OH 3.27Å; L290-F316 HydrophobicContact CD2-CD2 4.47Å; L290-F316 HydrophobicContact CD2-CE2 4.01Å
291	D	64.7	Low	76.3	Confident	93 Å²	93	65.7 Å²	65.7	50%	0.497	36%	0.357	S	S	.	.			trans	-72.9	106.9	170.6	-174.4	-2.8	0	0	0	107.8	K293 L294	D291-K293 PolarHBondContact O-N 3.04Å; D291-K293 WeakPolarHBondContact OD1-CB 3.27Å; D291-K293 WeakPolarHBondContact OD1-CG 3.47Å; D291-K293 PolarHBondContact OD1-N 2.82Å; D291-L294 PolarHBondContact O-N 2.79Å
292	N	61.3	Low	76.2	Confident	129 Å²	129	66.1 Å²	66.1	69%	0.69	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-52.4	-19.9	-179.3	-75.6	-11.7	0	0	0	113.3	L290 L294 N295	L290-N292 PolarHBondContact O-N 3.03Å; N292-L294 PolarHBondContact O-N 2.86Å; N292-N295 PolarHBondContact O-N 2.72Å
293	K	60.9	Low	76.4	Confident	185 Å²	185	66.3 Å²	66.3	80%	0.804	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-62.1	-25.8	176.7	-70.9	179.3	179.6	176.6	0	114.4	D291	D291-K293 PolarHBondContact O-N 3.04Å; D291-K293 WeakPolarHBondContact OD1-CB 3.27Å; D291-K293 WeakPolarHBondContact OD1-CG 3.47Å; D291-K293 PolarHBondContact OD1-N 2.82Å
294	L	65.8	Low	76.7	Confident	55 Å²	55	70.3 Å²	70.3	29%	0.288	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-91.5	-6.8	-178.4	-63.5	175	0	0	0	113.1	D291 N292 V296 Y307 D311	D291-L294 PolarHBondContact O-N 2.79Å; N292-L294 PolarHBondContact O-N 2.86Å; L294-V296 PolarHBondContact O-N 2.79Å; L294-Y307 HydrophobicContact CB-CD1 4.08Å; L294-Y307 HydrophobicContact CB-CE1 4.19Å; L294-Y307 WeakPolarHBondContact O-CD1 3.13Å; L294-D311 HydrophobicContact CD2-CB 4.05Å; L294-D311 WeakPolarHBondContact CD2-O 3.34Å
295	N	74.4	Confident	77.1	Confident	59 Å²	59	70 Å²	70	32%	0.316	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-73.4	127.4	-177.1	-65	3.2	0	0	0	109.9	N292 A306 Y307	N292-N295 PolarHBondContact O-N 2.72Å; N295-A306 CarbonylContact C-O 3.59Å; N295-A306 WeakPolarHBondContact CA-O 3.17Å; N295-Y307 WeakPolarHBondContact OD1-CE1 3.33Å; N295-Y307 PolarHBondContact OD1-OH 3.05Å
296	V	78.7	Confident	77.8	Confident	55 Å²	55	65.8 Å²	65.8	33%	0.333	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-76.1	130.7	162.6	-179.6	0	0	0	0	107.2	L294 C298 A306	L294-V296 PolarHBondContact O-N 2.79Å; V296-C298 PolarHBondContact O-N 2.86Å; V296-A306 HydrophobicContact CB-CB 4.33Å; V296-A306 PolarHBondContact N-O 3.31Å
297	D	77.9	Confident	78.4	Confident	150 Å²	150	64.9 Å²	64.9	80%	0.802	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-61.2	124.6	177.5	-168.9	21.8	0	0	0	110.3
298	C	82.2	Confident	79	Confident	26 Å²	26	62 Å²	62	18%	0.176	34%	0.337	C	S	.	.			trans	-142.5	110	179.5	-172.8	0	0	0	0	107.4	V296 D300 V303 A306	V296-C298 PolarHBondContact O-N 2.86Å; C298-D300 PolarHBondContact O-N 2.94Å; C298-V303 HydrophobicContact CB-CG1 4.32Å; C298-A306 HydrophobicContact CB-CB 4Å
299	S	81.5	Confident	79.6	Confident	91 Å²	91	60.4 Å²	60.4	64%	0.636	33%	0.329	S	S	*	.			trans	-82.5	3.1	-173.9	53	0	0	0	0	114	N301	S299-N301 PolarHBondContact O-N 3.41Å
300	D	86.4	Confident	80.7	Confident	28 Å²	28	63.3 Å²	63.3	15%	0.15	34%	0.335	C	S	.	.			trans	-81.5	118.5	-177.9	-165.1	-51.6	0	0	0	111	C298 R302 V303 F496	C298-D300 PolarHBondContact O-N 2.94Å; D300-R302 PolarHBondContact O-N 3.5Å; D300-R302 WeakPolarHBondContact OD1-CB 3.4Å; D300-R302 VanDerWaalsContact OD1-CG 3.23Å; D300-R302 WeakPolarHBondContact OD1-CG 3.41Å; D300-R302 IonicContact OD1-CZ 3.19Å; D300-R302 PolarHBondContact OD1-N 3.24Å; D300-R302 IonicContact OD1-NE 2.71Å; D300-R302 PolarHBondContact OD1-NE 2.87Å; D300-R302 IonicContact OD1-NH2 3.81Å; D300-R302 IonicContact OD2-CZ 3.68Å; D300-R302 IonicContact OD2-NE 3.55Å; D300-R302 PolarHBondContact OD2-NE 3.38Å; D300-R302 IonicContact OD2-NH2 2.7Å; D300-R302 PolarHBondContact OD2-NH2 3.33Å; D300-V303 HydrophobicContact CB-CG2 4.27Å; D300-V303 PolarHBondContact O-N 3.11Å; D300-F496 HydrophobicContact CB-CB 4.04Å; D300-F496 HydrophobicContact CB-CD1 4.23Å; D300-F496 HydrophobicContact CB-CG 4.33Å; D300-F496 WeakPolarHBondContact OD2-CD1 3.37Å
301	N	87	Confident	81.8	Confident	132 Å²	132	66.4 Å²	66.4	71%	0.706	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-14.9	-179.1	-62.5	-4	0	0	0	114.2	T281 S299 V303 A478	T281-N301 PolarHBondContact OG1-O 2.8Å; S299-N301 PolarHBondContact O-N 3.41Å; N301-V303 VanDerWaalsContact C-N 3.29Å; N301-A478 HydrophobicContact CB-CB 4.42Å; N301-A478 WeakPolarHBondContact O-CB 3.2Å
302	R	88.9	Confident	82.8	Confident	31 Å²	31	62.8 Å²	62.8	12%	0.117	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-13	175.5	-55.6	172.1	-65.7	171.7	-2.3	112.1	L280 T281 D300 H481 N482 L483 F495	L280-R302 WeakPolarHBondContact CA-O 3.42Å; T281-R302 PolarHBondContact N-O 2.87Å; T281-R302 VanDerWaalsContact OG1-C 3.31Å; T281-R302 PolarHBondContact OG1-O 3.25Å; D300-R302 PolarHBondContact O-N 3.5Å; D300-R302 WeakPolarHBondContact OD1-CB 3.4Å; D300-R302 VanDerWaalsContact OD1-CG 3.23Å; D300-R302 WeakPolarHBondContact OD1-CG 3.41Å; D300-R302 IonicContact OD1-CZ 3.19Å; D300-R302 PolarHBondContact OD1-N 3.24Å; D300-R302 IonicContact OD1-NE 2.71Å; D300-R302 PolarHBondContact OD1-NE 2.87Å; D300-R302 IonicContact OD1-NH2 3.81Å; D300-R302 IonicContact OD2-CZ 3.68Å; D300-R302 IonicContact OD2-NE 3.55Å; D300-R302 PolarHBondContact OD2-NE 3.38Å; D300-R302 IonicContact OD2-NH2 2.7Å; D300-R302 PolarHBondContact OD2-NH2 3.33Å; R302-H481 HydrophobicContact CG-CB 3.98Å; R302-N482 PolarHBondContact NH1-O 3.24Å; R302-L483 HydrophobicContact CB-CD2 4.01Å; R302-L483 HydrophobicContact CG-CD2 4.42Å; R302-F495 VanDerWaalsContact NH1-CE1 3.3Å
303	V	91.3	Very high	83.7	Confident	14 Å²	14	59.5 Å²	59.5	9%	0.085	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118.2	179.2	-179.1	0	0	0	0	108.5	F278 L280 C298 D300 N301 A305 A306 F496	F278-V303 HydrophobicContact CD1-CG1 4.01Å; F278-V303 HydrophobicContact CD1-CG2 4.42Å; L280-V303 HydrophobicContact CD2-CG2 4.24Å; C298-V303 HydrophobicContact CB-CG1 4.32Å; D300-V303 HydrophobicContact CB-CG2 4.27Å; D300-V303 PolarHBondContact O-N 3.11Å; N301-V303 VanDerWaalsContact C-N 3.29Å; V303-A305 WeakPolarHBondContact CG1-O 3.46Å; V303-A306 HydrophobicContact CG1-CB 4.23Å; V303-F496 HydrophobicContact CG2-CD1 4.18Å; V303-F496 HydrophobicContact CG2-CD2 3.62Å; V303-F496 HydrophobicContact CG2-CE1 4.14Å; V303-F496 HydrophobicContact CG2-CE2 3.55Å; V303-F496 HydrophobicContact CG2-CG 3.95Å; V303-F496 HydrophobicContact CG2-CZ 3.83Å
304	L	89	Confident	84.3	Confident	84 Å²	84	53.1 Å²	53.1	44%	0.44	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-37.9	175.5	-177.9	61.4	0	0	0	111.1	I279 L288	I279-L304 HydrophobicContact CG2-CB 4.42Å; I279-L304 HydrophobicContact CG2-CD2 4.4Å; I279-L304 WeakPolarHBondContact O-CB 3.48Å; I279-L304 PolarHBondContact O-N 2.69Å; L288-L304 HydrophobicContact CD1-CB 4.47Å; L288-L304 HydrophobicContact CD1-CD2 3.43Å; L288-L304 VanDerWaalsContact CD1-CD2 3.43Å; L288-L304 HydrophobicContact CD1-CG 3.6Å; L288-L304 HydrophobicContact CG-CD2 3.83Å; L288-L304 HydrophobicContact CG-CG 4.49Å
305	A	90.4	Very high	85	Confident	7 Å²	7	53.4 Å²	53.4	6%	0.058	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	149.3	173.6	0	0	0	0	0	111.7	F278 I279 L288 V303 Y307	F278-A305 WeakPolarHBondContact CA-O 3.35Å; I279-A305 HydrophobicContact CB-CB 4.49Å; I279-A305 HydrophobicContact CD1-CB 4.33Å; I279-A305 PolarHBondContact N-O 3.06Å; I279-A305 PolarHBondContact O-N 3.06Å; L288-A305 HydrophobicContact CD1-CB 4.05Å; V303-A305 WeakPolarHBondContact CG1-O 3.46Å; A305-Y307 HydrophobicContact CB-CE2 3.59Å; A305-Y307 VanDerWaalsContact CB-OH 3.25Å; A305-Y307 WeakPolarHBondContact CB-OH 3.38Å
306	A	92.3	Very high	85.4	Confident	4 Å²	4	50.7 Å²	50.7	3%	0.033	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141	176.7	0	0	0	0	0	110.4	V277 F278 N295 V296 C298 V303	V277-A306 CarbonylContact O-C 3.49Å; V277-A306 WeakPolarHBondContact O-CA 3.35Å; F278-A306 HydrophobicContact CD1-CB 3.58Å; F278-A306 HydrophobicContact CE1-CB 3.68Å; N295-A306 CarbonylContact C-O 3.59Å; N295-A306 WeakPolarHBondContact CA-O 3.17Å; V296-A306 HydrophobicContact CB-CB 4.33Å; V296-A306 PolarHBondContact N-O 3.31Å; C298-A306 HydrophobicContact CB-CB 4Å; V303-A306 HydrophobicContact CG1-CB 4.23Å
307	Y	91.6	Very high	85.6	Confident	1 Å²	1	48 Å²	48	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	147.1	-178	-59.4	-80.2	0	0	0	111	R276 V277 I279 L290 L294 N295 A305 L312 F316	R276-Y307 CarbonylContact C-O 3.57Å; R276-Y307 WeakPolarHBondContact CA-O 3.35Å; R276-Y307 WeakPolarHBondContact CB-O 3.27Å; V277-Y307 PolarHBondContact N-O 3.35Å; V277-Y307 PolarHBondContact O-N 2.96Å; I279-Y307 HydrophobicContact CD1-CE2 3.75Å; I279-Y307 HydrophobicContact CG1-CE2 4.38Å; L290-Y307 HydrophobicContact CD1-CE2 4.18Å; L290-Y307 VanDerWaalsContact CD1-OH 3.26Å; L290-Y307 WeakPolarHBondContact CD1-OH 3.07Å; L290-Y307 HydrophobicContact CD2-CD1 4.27Å; L290-Y307 HydrophobicContact CD2-CE1 3.24Å; L290-Y307 HydrophobicContact CD2-CE2 4.05Å; L290-Y307 WeakPolarHBondContact CD2-OH 3.21Å; L290-Y307 HydrophobicContact CG-CE1 4.43Å; L290-Y307 VanDerWaalsContact CG-OH 3.31Å; L290-Y307 WeakPolarHBondContact CG-OH 3.27Å; L294-Y307 HydrophobicContact CB-CD1 4.08Å; L294-Y307 HydrophobicContact CB-CE1 4.19Å; L294-Y307 WeakPolarHBondContact O-CD1 3.13Å; N295-Y307 WeakPolarHBondContact OD1-CE1 3.33Å; N295-Y307 PolarHBondContact OD1-OH 3.05Å; A305-Y307 HydrophobicContact CB-CE2 3.59Å; A305-Y307 VanDerWaalsContact CB-OH 3.25Å; A305-Y307 WeakPolarHBondContact CB-OH 3.38Å; Y307-L312 HydrophobicContact CD1-CD2 3.86Å; Y307-L312 HydrophobicContact CG-CD2 4Å; Y307-F316 HydrophobicContact CD1-CE2 4.37Å; Y307-F316 HydrophobicContact CD2-CE2 4.01Å; Y307-F316 AromaticContact CD2-CZ 3.97Å; Y307-F316 HydrophobicContact CD2-CZ 3.97Å; Y307-F316 HydrophobicContact CE2-CE2 4.19Å; Y307-F316 HydrophobicContact CE2-CZ 4.34Å; Y307-F316 HydrophobicContact CG-CE2 4.14Å; Y307-F316 HydrophobicContact CG-CZ 4.38Å
308	S	91.4	Very high	85.9	Confident	21 Å²	21	43.3 Å²	43.3	15%	0.147	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.8	164.4	152.7	0	0	0	0	108.5	K310 D311 L312	S308-K310 PolarHBondContact O-N 2.89Å; S308-K310 PolarHBondContact OG-N 2.95Å; S308-D311 WeakPolarHBondContact CB-OD2 3.35Å; S308-D311 PolarHBondContact O-N 2.86Å; S308-D311 VanDerWaalsContact O-N 3.1Å; S308-D311 PolarHBondContact OG-OD2 2.96Å; S308-L312 WeakPolarHBondContact O-CG 3.3Å; S308-L312 PolarHBondContact O-N 2.69Å
309	T	89.5	Confident	85.8	Confident	11 Å²	11	45.1 Å²	45.1	7%	0.067	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.3	-177.7	60.1	0	0	0	0	113.2	L197 F268 S275 V277 D311 L312	L197-T309 HydrophobicContact CD2-CG2 3.89Å; F268-T309 WeakPolarHBondContact CD2-OG1 3.47Å; S275-T309 WeakPolarHBondContact CB-OG1 3.45Å; S275-T309 PolarHBondContact O-N 2.88Å; S275-T309 PolarHBondContact O-OG1 3.45Å; S275-T309 VanDerWaalsContact OG-CG2 3.24Å; S275-T309 WeakPolarHBondContact OG-CG2 3.42Å; S275-T309 PolarHBondContact OG-OG1 2.78Å; V277-T309 HydrophobicContact CG2-CG2 3.77Å; T309-D311 PolarHBondContact O-N 2.92Å; T309-L312 HydrophobicContact CG2-CD1 4.46Å; T309-L312 PolarHBondContact O-N 3.41Å
310	K	87.3	Confident	85.9	Confident	123 Å²	123	43.9 Å²	43.9	54%	0.535	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-35.1	172.9	-66.4	-175.7	-180	-179.8	0	112.2	F268 S308	F268-K310 HydrophobicContact CB-CG 4.27Å; F268-K310 HydrophobicContact CD1-CG 4.3Å; F268-K310 HydrophobicContact CD2-CB 4.41Å; F268-K310 HydrophobicContact CD2-CD 4.14Å; F268-K310 HydrophobicContact CD2-CG 3.24Å; F268-K310 HydrophobicContact CE2-CD 3.98Å; F268-K310 HydrophobicContact CE2-CG 3.5Å; F268-K310 VanDerWaalsContact CE2-CG 3.5Å; F268-K310 HydrophobicContact CG-CD 4.45Å; F268-K310 HydrophobicContact CG-CG 3.69Å; F268-K310 HydrophobicContact CZ-CD 4.24Å; F268-K310 HydrophobicContact CZ-CG 4.2Å; S308-K310 PolarHBondContact O-N 2.89Å; S308-K310 PolarHBondContact OG-N 2.95Å
311	D	85.9	Confident	85.8	Confident	95 Å²	95	42.7 Å²	42.7	51%	0.508	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-10.6	-175	-50.4	-58.5	0	0	0	111.6	L294 S308 T309	L294-D311 HydrophobicContact CD2-CB 4.05Å; L294-D311 WeakPolarHBondContact CD2-O 3.34Å; S308-D311 WeakPolarHBondContact CB-OD2 3.35Å; S308-D311 PolarHBondContact O-N 2.86Å; S308-D311 VanDerWaalsContact O-N 3.1Å; S308-D311 PolarHBondContact OG-OD2 2.96Å; T309-D311 PolarHBondContact O-N 2.92Å
312	L	84.3	Confident	85.6	Confident	17 Å²	17	41.5 Å²	41.5	9%	0.089	23%	0.233	C	C	.	.			trans	-81	122.7	179.6	-65.9	-177.1	0	0	0	111.3	F265 V277 Y307 S308 T309 F316	F265-L312 HydrophobicContact CD2-CD1 4.48Å; F265-L312 HydrophobicContact CE2-CD1 3.77Å; F265-L312 HydrophobicContact CZ-CD1 4.4Å; V277-L312 HydrophobicContact CG2-CD1 4.09Å; Y307-L312 HydrophobicContact CD1-CD2 3.86Å; Y307-L312 HydrophobicContact CG-CD2 4Å; S308-L312 WeakPolarHBondContact O-CG 3.3Å; S308-L312 PolarHBondContact O-N 2.69Å; T309-L312 HydrophobicContact CG2-CD1 4.46Å; T309-L312 PolarHBondContact O-N 3.41Å; L312-F316 HydrophobicContact CB-CB 4.26Å; L312-F316 HydrophobicContact CB-CG 4.45Å; L312-F316 HydrophobicContact CD1-CD1 3.92Å; L312-F316 HydrophobicContact CD1-CD2 4.1Å; L312-F316 HydrophobicContact CD1-CE1 3.92Å; L312-F316 HydrophobicContact CD1-CE2 4.13Å; L312-F316 HydrophobicContact CD1-CG 3.97Å; L312-F316 HydrophobicContact CD1-CZ 4.03Å; L312-F316 HydrophobicContact CD2-CB 4.31Å; L312-F316 HydrophobicContact CD2-CD2 3.36Å; L312-F316 HydrophobicContact CD2-CE2 3.67Å; L312-F316 HydrophobicContact CD2-CG 3.87Å; L312-F316 HydrophobicContact CD2-CZ 4.4Å; L312-F316 HydrophobicContact CG-CD2 4.25Å; L312-F316 HydrophobicContact CG-CG 4.31Å
313	S	80.2	Confident	85.1	Confident	61 Å²	61	40.2 Å²	40.2	43%	0.427	23%	0.228	S	C	.	.			trans	-68.3	156.9	167.1	73.9	0	0	0	0	111.4	S315 F316	S313-S315 PolarHBondContact O-N 2.86Å; S313-S315 VanDerWaalsContact O-N 3.09Å; S313-S315 PolarHBondContact OG-OG 2.77Å; S313-F316 VanDerWaalsContact O-CB 3.23Å; S313-F316 WeakPolarHBondContact O-CB 3.39Å; S313-F316 PolarHBondContact O-N 2.83Å
314	A	74.1	Confident	84.3	Confident	50 Å²	50	43 Å²	43	41%	0.413	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-54.9	-31.4	175.2	0	0	0	0	0	112.8	F316 T317	A314-F316 PolarHBondContact O-N 3.14Å; A314-T317 PolarHBondContact O-N 2.98Å; A314-T317 PolarHBondContact O-OG1 3.04Å
315	S	80	Confident	83.3	Confident	61 Å²	61	40.7 Å²	40.7	43%	0.427	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-64.2	-17.4	177.6	75.6	0	0	0	0	114	S313 T317 S318 F319	S313-S315 PolarHBondContact O-N 2.86Å; S313-S315 VanDerWaalsContact O-N 3.09Å; S313-S315 PolarHBondContact OG-OG 2.77Å; S315-T317 PolarHBondContact O-N 2.67Å; S315-S318 WeakPolarHBondContact O-CA 3.29Å; S315-S318 WeakPolarHBondContact O-CB 3.38Å; S315-S318 PolarHBondContact O-N 2.92Å; S315-F319 PolarHBondContact O-N 2.97Å
316	F	84.4	Confident	82.2	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.009	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-55	-40.7	177.7	176	-86.9	0	0	0	112.4	I257 F265 V277 L290 Y307 L312 S313 A314 S318 F319	I257-F316 HydrophobicContact CD1-CD1 3.95Å; I257-F316 HydrophobicContact CD1-CE1 3.49Å; I257-F316 VanDerWaalsContact CD1-CE1 3.49Å; F265-F316 HydrophobicContact CD2-CD1 4.28Å; F265-F316 AromaticContact CE2-CD1 3.45Å; F265-F316 HydrophobicContact CE2-CD1 3.45Å; F265-F316 VanDerWaalsContact CE2-CD1 3.45Å; F265-F316 AromaticContact CE2-CE1 3.94Å; F265-F316 HydrophobicContact CE2-CE1 3.94Å; F265-F316 HydrophobicContact CE2-CG 4.31Å; F265-F316 HydrophobicContact CZ-CD1 4.31Å; F265-F316 HydrophobicContact CZ-CE1 4.41Å; V277-F316 HydrophobicContact CG1-CE1 4.39Å; V277-F316 HydrophobicContact CG1-CZ 4.39Å; L290-F316 HydrophobicContact CD2-CD2 4.47Å; L290-F316 HydrophobicContact CD2-CE2 4.01Å; Y307-F316 HydrophobicContact CD1-CE2 4.37Å; Y307-F316 HydrophobicContact CD2-CE2 4.01Å; Y307-F316 AromaticContact CD2-CZ 3.97Å; Y307-F316 HydrophobicContact CD2-CZ 3.97Å; Y307-F316 HydrophobicContact CE2-CE2 4.19Å; Y307-F316 HydrophobicContact CE2-CZ 4.34Å; Y307-F316 HydrophobicContact CG-CE2 4.14Å; Y307-F316 HydrophobicContact CG-CZ 4.38Å; L312-F316 HydrophobicContact CB-CB 4.26Å; L312-F316 HydrophobicContact CB-CG 4.45Å; L312-F316 HydrophobicContact CD1-CD1 3.92Å; L312-F316 HydrophobicContact CD1-CD2 4.1Å; L312-F316 HydrophobicContact CD1-CE1 3.92Å; L312-F316 HydrophobicContact CD1-CE2 4.13Å; L312-F316 HydrophobicContact CD1-CG 3.97Å; L312-F316 HydrophobicContact CD1-CZ 4.03Å; L312-F316 HydrophobicContact CD2-CB 4.31Å; L312-F316 HydrophobicContact CD2-CD2 3.36Å; L312-F316 HydrophobicContact CD2-CE2 3.67Å; L312-F316 HydrophobicContact CD2-CG 3.87Å; L312-F316 HydrophobicContact CD2-CZ 4.4Å; L312-F316 HydrophobicContact CG-CD2 4.25Å; L312-F316 HydrophobicContact CG-CG 4.31Å; S313-F316 VanDerWaalsContact O-CB 3.23Å; S313-F316 WeakPolarHBondContact O-CB 3.39Å; S313-F316 PolarHBondContact O-N 2.83Å; A314-F316 PolarHBondContact O-N 3.14Å; F316-S318 PolarHBondContact O-N 2.87Å; F316-S318 VanDerWaalsContact O-N 3.14Å; F316-F319 VanDerWaalsContact CA-CE2 3.46Å; F316-F319 HydrophobicContact CB-CD2 4.08Å; F316-F319 HydrophobicContact CB-CE2 3.97Å; F316-F319 AromaticContact CD2-CD2 3.68Å; F316-F319 HydrophobicContact CD2-CD2 3.68Å; F316-F319 AromaticContact CD2-CE2 3.8Å; F316-F319 HydrophobicContact CD2-CE2 3.8Å; F316-F319 HydrophobicContact CE2-CD2 4.46Å; F316-F319 HydrophobicContact CG-CD2 4.03Å; F316-F319 HydrophobicContact CG-CE2 4.23Å; F316-F319 WeakPolarHBondContact O-CB 3.19Å; F316-F319 WeakPolarHBondContact O-CD2 3.04Å; F316-F319 PolarHBondContact O-N 2.81Å
317	T	81.8	Confident	80.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-64.8	-19.5	179	60.3	0	0	0	0	113	L200 S256 I257 R258 E264 F265 A314 S315	L200-T317 HydrophobicContact CD2-CG2 4.36Å; S256-T317 VanDerWaalsContact CB-O 3.23Å; S256-T317 WeakPolarHBondContact CB-O 3.41Å; S256-T317 PolarHBondContact OG-O 3.01Å; I257-T317 HydrophobicContact CB-CG2 4.46Å; I257-T317 HydrophobicContact CG2-CG2 4.41Å; I257-T317 PolarHBondContact N-O 3.01Å; R258-T317 VanDerWaalsContact CB-O 3.31Å; R258-T317 WeakPolarHBondContact CB-O 3.41Å; R258-T317 PolarHBondContact N-O 3.37Å; E264-T317 WeakPolarHBondContact CA-OG1 3.22Å; E264-T317 WeakPolarHBondContact CB-OG1 3.17Å; E264-T317 WeakPolarHBondContact CG-OG1 3.25Å; F265-T317 HydrophobicContact CB-CG2 4.44Å; F265-T317 HydrophobicContact CD1-CG2 4.4Å; F265-T317 HydrophobicContact CD2-CG2 3.45Å; F265-T317 VanDerWaalsContact CD2-CG2 3.45Å; F265-T317 HydrophobicContact CE2-CG2 3.69Å; F265-T317 HydrophobicContact CG-CG2 3.83Å; F265-T317 HydrophobicContact CZ-CG2 4.22Å; A314-T317 PolarHBondContact O-N 2.98Å; A314-T317 PolarHBondContact O-OG1 3.04Å; S315-T317 PolarHBondContact O-N 2.67Å
318	S	84.1	Confident	79.1	Confident	50 Å²	50	55.3 Å²	55.3	35%	0.35	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-93	-2.6	177.4	-64.2	0	0	0	0	113.4	R258 E264 S315 F316	R258-S318 WeakPolarHBondContact CD-OG 3.46Å; E264-S318 PolarHBondContact OE1-OG 2.88Å; S315-S318 WeakPolarHBondContact O-CA 3.29Å; S315-S318 WeakPolarHBondContact O-CB 3.38Å; S315-S318 PolarHBondContact O-N 2.92Å; F316-S318 PolarHBondContact O-N 2.87Å; F316-S318 VanDerWaalsContact O-N 3.14Å
319	F	81.2	Confident	77.5	Confident	65 Å²	65	56 Å²	56	29%	0.285	32%	0.315	S	S	.	.			trans	-64.4	132	178.9	-71.2	-41.3	0	0	0	112.2	S256 S315 F316 F321	S256-F319 WeakPolarHBondContact CA-O 3.02Å; S256-F319 WeakPolarHBondContact CB-O 3.22Å; S315-F319 PolarHBondContact O-N 2.97Å; F316-F319 VanDerWaalsContact CA-CE2 3.46Å; F316-F319 HydrophobicContact CB-CD2 4.08Å; F316-F319 HydrophobicContact CB-CE2 3.97Å; F316-F319 AromaticContact CD2-CD2 3.68Å; F316-F319 HydrophobicContact CD2-CD2 3.68Å; F316-F319 AromaticContact CD2-CE2 3.8Å; F316-F319 HydrophobicContact CD2-CE2 3.8Å; F316-F319 HydrophobicContact CE2-CD2 4.46Å; F316-F319 HydrophobicContact CG-CD2 4.03Å; F316-F319 HydrophobicContact CG-CE2 4.23Å; F316-F319 WeakPolarHBondContact O-CB 3.19Å; F316-F319 WeakPolarHBondContact O-CD2 3.04Å; F316-F319 PolarHBondContact O-N 2.81Å; F319-F321 WeakPolarHBondContact O-CD2 3.33Å; F319-F321 PolarHBondContact O-N 3.37Å
320	P	83.3	Confident	75.8	Confident	65 Å²	65	60.7 Å²	60.7	42%	0.422	35%	0.347	S	S	.	.			trans	-81.5	111.2	-177.9	30.8	-32.2	0	0	0	111.5	P254 W255 P289	P254-P320 HydrophobicContact CB-CB 3.85Å; W255-P320 CarbonylContact O-C 3.58Å; W255-P320 WeakPolarHBondContact O-CA 3.44Å; P289-P320 VanDerWaalsContact CD-O 3.32Å; P289-P320 WeakPolarHBondContact CD-O 3.34Å; P289-P320 HydrophobicContact CG-CG 4.31Å; P289-P320 WeakPolarHBondContact CG-O 3.33Å
321	F	83.6	Confident	74.6	Confident	3 Å²	3	60.2 Å²	60.2	1%	0.013	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-75.2	132.8	161.9	-60.5	-92.8	0	0	0	109.3	P254 W255 I257 I279 M286 L288 F319	P254-F321 CarbonylContact C-O 3.5Å; P254-F321 WeakPolarHBondContact CA-O 3.48Å; W255-F321 HydrophobicContact CD2-CB 3.8Å; W255-F321 HydrophobicContact CD2-CD2 4.3Å; W255-F321 HydrophobicContact CD2-CG 4.33Å; W255-F321 HydrophobicContact CE3-CB 4.15Å; W255-F321 AromaticContact CE3-CD2 3.77Å; W255-F321 HydrophobicContact CE3-CD2 3.77Å; W255-F321 HydrophobicContact CE3-CG 4.17Å; W255-F321 HydrophobicContact CG-CB 4.36Å; W255-F321 HydrophobicContact CH2-CB 4Å; W255-F321 HydrophobicContact CH2-CD1 4.14Å; W255-F321 AromaticContact CH2-CD2 3.88Å; W255-F321 HydrophobicContact CH2-CD2 3.88Å; W255-F321 HydrophobicContact CH2-CE2 4.45Å; W255-F321 AromaticContact CH2-CG 3.73Å; W255-F321 HydrophobicContact CH2-CG 3.73Å; W255-F321 HydrophobicContact CZ2-CB 3.65Å; W255-F321 HydrophobicContact CZ2-CD1 4.38Å; W255-F321 HydrophobicContact CZ2-CD2 4.41Å; W255-F321 AromaticContact CZ2-CG 3.9Å; W255-F321 HydrophobicContact CZ2-CG 3.9Å; W255-F321 HydrophobicContact CZ3-CB 4.23Å; W255-F321 AromaticContact CZ3-CD2 3.53Å; W255-F321 HydrophobicContact CZ3-CD2 3.53Å; W255-F321 HydrophobicContact CZ3-CE2 4.05Å; W255-F321 AromaticContact CZ3-CG 3.87Å; W255-F321 HydrophobicContact CZ3-CG 3.87Å; W255-F321 PolarHBondContact N-O 2.94Å; W255-F321 WeakPolarHBondContact O-CA 3.3Å; W255-F321 WeakPolarHBondContact O-CB 3.41Å; W255-F321 WeakPolarHBondContact O-CD2 3.1Å; W255-F321 PolarHBondContact O-N 3.41Å; I257-F321 HydrophobicContact CG1-CE2 4.02Å; I257-F321 HydrophobicContact CG1-CZ 4.49Å; I279-F321 HydrophobicContact CD1-CE1 3.75Å; I279-F321 HydrophobicContact CD1-CZ 4.25Å; I279-F321 HydrophobicContact CG1-CE1 4.37Å; M286-F321 HydrophobicContact CE-CB 4.3Å; M286-F321 HydrophobicContact CE-CD1 3.68Å; M286-F321 HydrophobicContact CE-CE1 4.49Å; M286-F321 HydrophobicContact CE-CG 4.34Å; M286-F321 HydrophobicContact SD-CB 3.95Å; M286-F321 HydrophobicContact SD-CD1 4.29Å; L288-F321 HydrophobicContact CD2-CD1 3.51Å; L288-F321 HydrophobicContact CD2-CE1 3.52Å; F319-F321 WeakPolarHBondContact O-CD2 3.33Å; F319-F321 PolarHBondContact O-N 3.37Å
322	K	82.7	Confident	73.9	Confident	107 Å²	107	56.3 Å²	56.3	47%	0.465	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.9	177.3	-171.6	-176.9	177	-168.2	0	110.1	N287	N287-K322 PolarHBondContact N-O 2.95Å
323	T	79.4	Confident	73.8	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.018	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.8	170.6	73.4	0	0	0	0	110.1	D34 E284 M286 G325	D34-T323 WeakPolarHBondContact OD2-CG2 3.38Å; E284-T323 PolarHBondContact OE2-OG1 2.99Å; M286-T323 HydrophobicContact CG-CG2 3.75Å; M286-T323 HydrophobicContact SD-CG2 3.8Å; T323-G325 PolarHBondContact O-N 3.06Å
324	D	73.8	Confident	74.2	Confident	73 Å²	73	55.4 Å²	55.4	39%	0.39	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-10.1	179.9	-72.6	-16	0	0	0	112.1	D285 N287 K326	D285-D324 PolarHBondContact O-N 3.18Å; N287-D324 PolarHBondContact ND2-OD1 3.29Å; N287-D324 VanDerWaalsContact ND2-OD1 3.1Å; N287-D324 PolarHBondContact ND2-OD2 3.4Å; D324-K326 PolarHBondContact O-N 3.13Å; D324-K326 VanDerWaalsContact O-N 3.14Å
325	G	68.6	Low	75	Confident	36 Å²	36	54.4 Å²	54.4	37%	0.371	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	68.3	3.7	-179.8	0	0	0	0	0	114	T323 E327	T323-G325 PolarHBondContact O-N 3.06Å; G325-E327 PolarHBondContact O-N 3.21Å
326	K	66.9	Low	75.6	Confident	156 Å²	156	51.5 Å²	51.5	68%	0.678	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	114	169.5	-68.4	-178.3	-179.6	175.9	0	107.9	D324 S328	D324-K326 PolarHBondContact O-N 3.13Å; D324-K326 VanDerWaalsContact O-N 3.14Å; K326-S328 PolarHBondContact O-N 3.12Å
327	E	62.1	Low	76	Confident	109 Å²	109	51.8 Å²	51.8	51%	0.509	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	117.7	174.8	-65.2	-179.1	173.4	0	0	109	H37 G325 S329	H37-E327 IonicContact CE1-OE1 2.89Å; H37-E327 PolarHBondContact CE1-OE1 3.11Å; H37-E327 IonicContact ND1-OE1 2.73Å; G325-E327 PolarHBondContact O-N 3.21Å; E327-S329 PolarHBondContact O-N 2.88Å
328	S	56.7	Low	76.7	Confident	54 Å²	54	52.3 Å²	52.3	38%	0.378	29%	0.294	S	S	.	.	S	Bend	trans	-69.5	-24.1	177.8	71.4	0	0	0	0	112.1	Y283 K326	Y283-S328 VanDerWaalsContact O-CB 3.25Å; Y283-S328 WeakPolarHBondContact O-CB 3.28Å; Y283-S328 PolarHBondContact O-N 2.7Å; Y283-S328 PolarHBondContact O-OG 2.85Å; K326-S328 PolarHBondContact O-N 3.12Å
329	S	57.6	Low	77.3	Confident	36 Å²	36	51.5 Å²	51.5	25%	0.252	29%	0.287	S	S	.	.			trans	-160.1	143.9	177.7	64.6	0	0	0	0	112	E327 Q331	E327-S329 PolarHBondContact O-N 2.88Å; S329-Q331 PolarHBondContact O-N 3.44Å; S329-Q331 VanDerWaalsContact O-N 3.15Å
330	S	54.3	Low	77.9	Confident	108 Å²	108	48.7 Å²	48.7	76%	0.755	28%	0.275	S	S	*	.	S	Bend	trans	-77	10.1	-176.6	57.1	0	0	0	0	115.4
331	Q	62.7	Low	78.5	Confident	114 Å²	114	50.3 Å²	50.3	53%	0.533	28%	0.277	S	S	.	.			trans	-123.6	56.5	-169.5	-70.4	-169.8	-6.8	0	0	113.7	S329 S333 F480	S329-Q331 PolarHBondContact O-N 3.44Å; S329-Q331 VanDerWaalsContact O-N 3.15Å; Q331-S333 PolarHBondContact O-N 3.42Å; Q331-S333 VanDerWaalsContact O-N 3.1Å; Q331-F480 WeakPolarHBondContact O-CE1 3.34Å; Q331-F480 WeakPolarHBondContact O-CZ 3.27Å
332	H	69.4	Low	79	Confident	13 Å²	13	52.9 Å²	52.9	6%	0.06	29%	0.29	C	S	.	.			trans	-60.2	-18.5	176.1	-63.7	-78.1	0	0	0	114.6	H37 G93 Y283	H37-H332 AromaticContact CE1-CD2 3.71Å; H37-H332 AromaticContact CE1-NE2 3.77Å; H37-H332 AromaticContact NE2-CD2 3.27Å; H37-H332 PolarHBondContact NE2-CD2 3.15Å; H37-H332 VanDerWaalsContact NE2-CD2 3.27Å; H37-H332 AromaticContact NE2-CG 3.87Å; H37-H332 AromaticContact NE2-NE2 3.7Å; G93-H332 WeakPolarHBondContact CA-O 3.18Å; Y283-H332 WeakPolarHBondContact CB-CE1 3.41Å; Y283-H332 VanDerWaalsContact CB-ND1 3.35Å; Y283-H332 WeakPolarHBondContact CB-ND1 3.38Å; Y283-H332 AromaticContact CD1-ND1 3.97Å; Y283-H332 AromaticContact CD2-ND1 3.47Å; Y283-H332 WeakPolarHBondContact CD2-ND1 3.46Å; Y283-H332 AromaticContact CG-CE1 3.8Å; Y283-H332 AromaticContact CG-ND1 3.32Å; Y283-H332 VanDerWaalsContact CG-ND1 3.32Å
333	S	82.9	Confident	79.5	Confident	48 Å²	48	50 Å²	50	34%	0.336	28%	0.282	S	S	.	.	S	Bend	trans	-65.8	146.8	-171.3	-54.7	0	0	0	0	114.7	Q331	Q331-S333 PolarHBondContact O-N 3.42Å; Q331-S333 VanDerWaalsContact O-N 3.1Å
334	P	88.9	Confident	79.9	Confident	10 Å²	10	53.1 Å²	53.1	7%	0.065	31%	0.314	C	S	.	.			trans	-67.2	158	177.7	30.2	-37.8	0	0	0	112.9	E90 S94 V336 R359	E90-P334 HydrophobicContact CB-CG 4.46Å; E90-P334 WeakPolarHBondContact O-CD 3.42Å; S94-P334 WeakPolarHBondContact OG-CA 2.94Å; P334-V336 VanDerWaalsContact C-N 3.33Å; P334-V336 PolarHBondContact O-N 3.16Å; P334-R359 VanDerWaalsContact O-CD 3.23Å; P334-R359 WeakPolarHBondContact O-CD 3.43Å
335	I	89.8	Confident	80.1	Confident	29 Å²	29	55.1 Å²	55.1	15%	0.149	33%	0.334	C	S	.	.	S	Bend	trans	-61	-43.5	178	-61.9	170.4	0	0	0	111.1	R359 A360 L472	I335-R359 PolarHBondContact O-N 2.92Å; I335-A360 HydrophobicContact CG2-CB 3.84Å; I335-L472 HydrophobicContact CD1-CD1 3.53Å; I335-L472 HydrophobicContact CD1-CD2 3.77Å; I335-L472 HydrophobicContact CD1-CG 4.27Å; I335-L472 HydrophobicContact CG1-CD2 4.48Å
336	V	93.1	Very high	80.8	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.8	174.2	-179.4	0	0	0	0	107.9	P334 T357 L364 I366 L423 Y462 L510	P334-V336 VanDerWaalsContact C-N 3.33Å; P334-V336 PolarHBondContact O-N 3.16Å; V336-T357 WeakPolarHBondContact CA-O 3.44Å; V336-L364 HydrophobicContact CG2-CD1 3.33Å; V336-I366 HydrophobicContact CG1-CD1 4.42Å; V336-L423 HydrophobicContact CG1-CD2 4.14Å; V336-L423 HydrophobicContact CG2-CD2 4.39Å; V336-Y462 HydrophobicContact CB-CE1 3.79Å; V336-Y462 HydrophobicContact CG1-CE1 4.24Å; V336-Y462 HydrophobicContact CG2-CD1 4.4Å; V336-Y462 HydrophobicContact CG2-CE1 3.75Å; V336-Y462 HydrophobicContact CG2-CE2 4.44Å; V336-L510 HydrophobicContact CB-CD1 4.07Å; V336-L510 HydrophobicContact CG1-CD1 4.02Å; V336-L510 WeakPolarHBondContact O-CD1 3.2Å
337	S	94.2	Very high	81.5	Confident	7 Å²	7	51.7 Å²	51.7	5%	0.049	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144	172.2	98	0	0	0	0	110.5	E90 L356 T357	E90-S337 WeakPolarHBondContact OE1-CB 2.86Å; E90-S337 PolarHBondContact OE1-OG 2.63Å; E90-S337 WeakPolarHBondContact OE2-CB 3.49Å; E90-S337 PolarHBondContact OE2-OG 3.26Å; S337-L356 CarbonylContact O-C 3.54Å; S337-L356 VanDerWaalsContact O-CA 3.3Å; S337-L356 WeakPolarHBondContact O-CA 3.44Å; S337-T357 PolarHBondContact N-O 3.17Å; S337-T357 PolarHBondContact O-N 3.32Å
338	A	95.4	Very high	82.8	Confident	11 Å²	11	51.5 Å²	51.5	9%	0.091	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	117.1	-172.1	0	0	0	0	0	110.1	F355 L356 V460 T512	A338-F355 WeakPolarHBondContact CA-O 3.27Å; A338-L356 HydrophobicContact CB-CD2 3.61Å; A338-V460 HydrophobicContact CB-CB 4.38Å; A338-V460 HydrophobicContact CB-CG2 3.82Å; A338-T512 HydrophobicContact CB-CG2 3.91Å
339	T	95.9	Very high	84.4	Confident	34 Å²	34	56.8 Å²	56.8	21%	0.209	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	148.9	177.6	51.8	0	0	0	0	110.8	A354 F355	T339-A354 CarbonylContact O-C 3.57Å; T339-A354 VanDerWaalsContact O-CA 3.25Å; T339-A354 WeakPolarHBondContact O-CA 3.23Å; T339-F355 PolarHBondContact N-O 2.98Å; T339-F355 PolarHBondContact O-N 3.28Å
340	K	95.6	Very high	86.2	Confident	5 Å²	5	55.3 Å²	55.3	2%	0.022	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.6	179	-171.7	170.2	80.1	162.4	0	109.4	V352 A354 D370 P456 A458 T512 S515	K340-V352 HydrophobicContact CD-CG1 3.66Å; K340-V352 HydrophobicContact CG-CG1 3.58Å; K340-A354 HydrophobicContact CG-CB 4.44Å; K340-D370 IonicContact NZ-OD1 3.47Å; K340-D370 PolarHBondContact NZ-OD1 3.16Å; K340-D370 IonicContact NZ-OD2 2.65Å; K340-P456 WeakPolarHBondContact CE-O 3.36Å; K340-P456 PolarHBondContact NZ-O 3.14Å; K340-A458 HydrophobicContact CD-CB 4.15Å; K340-T512 HydrophobicContact CB-CG2 4Å; K340-S515 PolarHBondContact O-OG 2.91Å
341	H	95	Very high	88.1	Confident	99 Å²	99	50.2 Å²	50.2	46%	0.458	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	148.2	178.6	-60.3	-76.9	0	0	0	111	V352 K353 F355	H341-V352 WeakPolarHBondContact O-CA 3.36Å; H341-K353 PolarHBondContact N-O 3.32Å; H341-K353 PolarHBondContact O-N 3.14Å; H341-F355 AromaticContact CD2-CD2 3.81Å; H341-F355 AromaticContact CD2-CE2 3.72Å
342	I	94.1	Very high	89.8	Confident	58 Å²	58	44.8 Å²	44.8	30%	0.297	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	140.7	169.8	-68.1	160.8	0	0	0	108.9	G351 L455 L516 V517	I342-G351 CarbonylContact C-O 3.55Å; I342-G351 WeakPolarHBondContact CA-O 3.5Å; I342-L455 HydrophobicContact CD1-CD1 3.95Å; I342-L455 HydrophobicContact CG1-CD1 3.84Å; I342-L516 WeakPolarHBondContact CD1-O 3.23Å; I342-V517 HydrophobicContact CD1-CB 4.36Å; I342-V517 HydrophobicContact CD1-CG2 3.43Å; I342-V517 VanDerWaalsContact CD1-CG2 3.43Å; I342-V517 HydrophobicContact CG1-CG2 4.12Å
343	T	93.9	Very high	91.1	Very high	47 Å²	47	46.9 Å²	46.9	29%	0.288	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	166.8	177.6	58.5	0	0	0	0	110.7	G350 G351 K353	T343-G350 CarbonylContact O-C 3.39Å; T343-G350 WeakPolarHBondContact O-CA 3.35Å; T343-G351 PolarHBondContact N-O 3.29Å; T343-G351 PolarHBondContact O-N 3.18Å; T343-G351 VanDerWaalsContact OG1-CA 3.28Å; T343-G351 WeakPolarHBondContact OG1-CA 3.25Å; T343-G351 PolarHBondContact OG1-O 3.02Å; T343-K353 HydrophobicContact CG2-CB 3.7Å
344	G	86	Confident	91.8	Very high	68 Å²	68	44.6 Å²	44.6	70%	0.701	27%	0.272	S	S	*	.			trans	88.8	162	-179	0	0	0	0	0	113.2
345	S	79.4	Confident	92.2	Very high	114 Å²	114	45.8 Å²	45.8	80%	0.797	28%	0.276	S	S	*	.			trans	-126	153.9	-180	59.2	0	0	0	0	110.7
346	G	83.3	Confident	92.5	Very high	50 Å²	50	44.4 Å²	44.4	52%	0.515	27%	0.269	S	S	.	.	S	Bend	trans	87.5	-172.4	177.2	0	0	0	0	0	115.1	K437	G346-K437 PolarHBondContact O-NZ 3.22Å
347	S	81	Confident	92.7	Very high	71 Å²	71	45.8 Å²	45.8	50%	0.497	28%	0.277	S	S	.	.	S	Bend	trans	-99.4	-5.5	-166.4	-49.9	0	0	0	0	115	K437	S347-K437 WeakPolarHBondContact O-CD 3.47Å
348	V	88.8	Confident	92.8	Very high	104 Å²	104	45.7 Å²	45.7	63%	0.63	28%	0.277	S	S	*	.	S	Bend	trans	-108.5	-47.8	-174	-178.2	0	0	0	0	112.5	R436 K437	V348-R436 WeakPolarHBondContact O-CA 3.45Å; V348-K437 PolarHBondContact O-N 3.28Å
349	R	91.8	Very high	92.6	Very high	166 Å²	166	50.9 Å²	50.9	63%	0.626	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	146.8	-178.3	-66.7	-175.4	-179.1	173.4	0.7	110.2
350	G	93.8	Very high	92.4	Very high	5 Å²	5	49.4 Å²	49.4	5%	0.052	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	-175.1	167.6	0	0	0	0	0	108.5	T343 V434 F435	T343-G350 CarbonylContact O-C 3.39Å; T343-G350 WeakPolarHBondContact O-CA 3.35Å; G350-V434 WeakPolarHBondContact O-CA 3.36Å; G350-V434 VanDerWaalsContact O-CG1 3.25Å; G350-V434 WeakPolarHBondContact O-CG1 3.43Å; G350-F435 PolarHBondContact N-O 3.45Å; G350-F435 PolarHBondContact O-N 2.95Å
351	G	95.8	Very high	92.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	175.6	173.7	0	0	0	0	0	110.5	I342 T343 Y433	I342-G351 CarbonylContact C-O 3.55Å; I342-G351 WeakPolarHBondContact CA-O 3.5Å; T343-G351 PolarHBondContact N-O 3.29Å; T343-G351 PolarHBondContact O-N 3.18Å; T343-G351 VanDerWaalsContact OG1-CA 3.28Å; T343-G351 WeakPolarHBondContact OG1-CA 3.25Å; T343-G351 PolarHBondContact OG1-O 3.02Å; G351-Y433 CarbonylContact C-O 3.57Å; G351-Y433 WeakPolarHBondContact CA-O 2.9Å
352	V	96.9	Very high	92.3	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.6	174.6	173.8	0	0	0	0	108	K340 H341 T432 Y433 F435 L455	K340-V352 HydrophobicContact CD-CG1 3.66Å; K340-V352 HydrophobicContact CG-CG1 3.58Å; H341-V352 WeakPolarHBondContact O-CA 3.36Å; V352-T432 WeakPolarHBondContact O-CA 3.46Å; V352-T432 WeakPolarHBondContact O-CB 3.18Å; V352-T432 PolarHBondContact O-OG1 2.9Å; V352-Y433 HydrophobicContact CB-CD1 4.37Å; V352-Y433 HydrophobicContact CB-CD2 4.23Å; V352-Y433 HydrophobicContact CB-CE1 3.84Å; V352-Y433 HydrophobicContact CB-CE2 3.68Å; V352-Y433 VanDerWaalsContact CB-CZ 3.47Å; V352-Y433 HydrophobicContact CG1-CE1 3.97Å; V352-Y433 HydrophobicContact CG2-CE1 4.49Å; V352-Y433 HydrophobicContact CG2-CE2 3.65Å; V352-Y433 WeakPolarHBondContact CG2-OH 3.48Å; V352-Y433 PolarHBondContact N-O 2.93Å; V352-Y433 PolarHBondContact O-N 2.85Å; V352-Y433 VanDerWaalsContact O-N 3.08Å; V352-F435 HydrophobicContact CG2-CD1 4.28Å; V352-F435 HydrophobicContact CG2-CE1 3.86Å; V352-L455 HydrophobicContact CG2-CD1 4.11Å
353	K	97.1	Very high	92.4	Very high	56 Å²	56	51.9 Å²	51.9	24%	0.243	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	110.7	167.1	-169.1	174.2	-176	-171.1	0	107.9	H341 T343 F355 I430 I431	H341-K353 PolarHBondContact N-O 3.32Å; H341-K353 PolarHBondContact O-N 3.14Å; T343-K353 HydrophobicContact CG2-CB 3.7Å; K353-F355 HydrophobicContact CB-CE2 4.28Å; K353-F355 HydrophobicContact CD-CE1 4.15Å; K353-F355 HydrophobicContact CD-CE2 3.87Å; K353-F355 HydrophobicContact CD-CZ 3.44Å; K353-F355 VanDerWaalsContact CD-CZ 3.44Å; K353-F355 HydrophobicContact CG-CD2 4.4Å; K353-F355 HydrophobicContact CG-CE1 4.4Å; K353-F355 HydrophobicContact CG-CE2 3.73Å; K353-F355 HydrophobicContact CG-CZ 3.76Å; K353-I430 HydrophobicContact CD-CG2 4.19Å; K353-I430 HydrophobicContact CG-CG2 3.79Å; K353-I431 CarbonylContact C-O 3.38Å; K353-I431 WeakPolarHBondContact CA-O 3.46Å
354	A	97.8	Very high	92.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.5	173.7	0	0	0	0	0	109.6	T339 K340 Y368 I430 I431	T339-A354 CarbonylContact O-C 3.57Å; T339-A354 VanDerWaalsContact O-CA 3.25Å; T339-A354 WeakPolarHBondContact O-CA 3.23Å; K340-A354 HydrophobicContact CG-CB 4.44Å; A354-Y368 HydrophobicContact CB-CE2 3.77Å; A354-I430 WeakPolarHBondContact O-CA 3.5Å; A354-I431 HydrophobicContact CB-CB 4.42Å; A354-I431 PolarHBondContact N-O 2.85Å; A354-I431 PolarHBondContact O-N 2.8Å
355	F	97.2	Very high	92.9	Very high	36 Å²	36	50.9 Å²	50.9	16%	0.158	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.3	177.9	-60.2	-95.8	0	0	0	108.5	A338 T339 H341 K353 Q428 L429 I430	A338-F355 WeakPolarHBondContact CA-O 3.27Å; T339-F355 PolarHBondContact N-O 2.98Å; T339-F355 PolarHBondContact O-N 3.28Å; H341-F355 AromaticContact CD2-CD2 3.81Å; H341-F355 AromaticContact CD2-CE2 3.72Å; K353-F355 HydrophobicContact CB-CE2 4.28Å; K353-F355 HydrophobicContact CD-CE1 4.15Å; K353-F355 HydrophobicContact CD-CE2 3.87Å; K353-F355 HydrophobicContact CD-CZ 3.44Å; K353-F355 VanDerWaalsContact CD-CZ 3.44Å; K353-F355 HydrophobicContact CG-CD2 4.4Å; K353-F355 HydrophobicContact CG-CE1 4.4Å; K353-F355 HydrophobicContact CG-CE2 3.73Å; K353-F355 HydrophobicContact CG-CZ 3.76Å; F355-Q428 HydrophobicContact CB-CG 4.4Å; F355-Q428 HydrophobicContact CD1-CG 4.34Å; F355-L429 WeakPolarHBondContact CA-O 3.24Å; F355-I430 HydrophobicContact CD1-CD1 3.92Å; F355-I430 HydrophobicContact CD1-CG1 3.68Å; F355-I430 HydrophobicContact CE1-CD1 3.82Å; F355-I430 HydrophobicContact CE1-CG1 4.02Å; F355-I430 HydrophobicContact CE1-CG2 4.44Å
356	L	97.1	Very high	93.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	111.3	171.9	-47.7	-176.2	0	0	0	107.9	S337 A338 I366 Y368 L423 Q428 L429 I431 V460	S337-L356 CarbonylContact O-C 3.54Å; S337-L356 VanDerWaalsContact O-CA 3.3Å; S337-L356 WeakPolarHBondContact O-CA 3.44Å; A338-L356 HydrophobicContact CB-CD2 3.61Å; L356-I366 HydrophobicContact CD1-CG2 4.3Å; L356-Y368 HydrophobicContact CD1-CD2 4.23Å; L356-Y368 HydrophobicContact CD2-CD2 4.45Å; L356-L423 HydrophobicContact CB-CD1 4.46Å; L356-L423 HydrophobicContact CB-CD2 4.42Å; L356-L423 WeakPolarHBondContact O-CD1 3.27Å; L356-Q428 CarbonylContact O-C 3.57Å; L356-Q428 WeakPolarHBondContact O-CA 3.36Å; L356-L429 HydrophobicContact CB-CB 4.24Å; L356-L429 HydrophobicContact CD1-CD2 4.09Å; L356-L429 PolarHBondContact N-O 3.23Å; L356-L429 PolarHBondContact O-N 2.72Å; L356-I431 HydrophobicContact CD1-CD1 4.35Å; L356-V460 HydrophobicContact CD1-CG1 4.17Å; L356-V460 HydrophobicContact CD1-CG2 4.42Å; L356-V460 HydrophobicContact CD2-CG1 4.28Å; L356-V460 HydrophobicContact CD2-CG2 3.6Å
357	T	96	Very high	94.4	Very high	30 Å²	30	44.3 Å²	44.3	18%	0.184	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.1	-175.7	-49.6	0	0	0	0	109.5	V336 S337 Q428	V336-T357 WeakPolarHBondContact CA-O 3.44Å; S337-T357 PolarHBondContact N-O 3.17Å; S337-T357 PolarHBondContact O-N 3.32Å; T357-Q428 PolarHBondContact OG1-NE2 3.35Å
358	S	95.7	Very high	95.2	Very high	5 Å²	5	40.9 Å²	40.9	4%	0.035	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.7	171.4	-172.3	0	0	0	0	110.6	A360 P424 L426 N427	S358-A360 PolarHBondContact OG-N 3.23Å; S358-P424 WeakPolarHBondContact CB-O 3.34Å; S358-L426 CarbonylContact O-C 3.51Å; S358-L426 WeakPolarHBondContact O-CA 3.45Å; S358-N427 WeakPolarHBondContact CB-O 3.39Å; S358-N427 PolarHBondContact N-O 2.97Å
359	R	92.1	Very high	95.7	Very high	119 Å²	119	36 Å²	36	45%	0.449	17%	0.167	S	C	.	.			trans	-107.2	4.8	166.4	-53	-175.2	-167	-108	0.8	111.6	P334 I335	P334-R359 VanDerWaalsContact O-CD 3.23Å; P334-R359 WeakPolarHBondContact O-CD 3.43Å; I335-R359 PolarHBondContact O-N 2.92Å
360	A	91.8	Very high	95.9	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.033	14%	0.137	C	C	.	.	S	Bend	trans	-77.8	146.2	172.8	0	0	0	0	0	110.5	I335 S358 F362 L364 A425 L426	I335-A360 HydrophobicContact CG2-CB 3.84Å; S358-A360 PolarHBondContact OG-N 3.23Å; A360-F362 HydrophobicContact CB-CD1 4.25Å; A360-F362 HydrophobicContact CB-CD2 4.08Å; A360-F362 HydrophobicContact CB-CE1 4.06Å; A360-F362 HydrophobicContact CB-CE2 3.91Å; A360-F362 HydrophobicContact CB-CG 4.26Å; A360-F362 HydrophobicContact CB-CZ 3.89Å; A360-F362 PolarHBondContact O-N 3.38Å; A360-L364 HydrophobicContact CB-CD1 4.43Å; A360-A425 CarbonylContact O-C 3.56Å; A360-A425 WeakPolarHBondContact O-CA 3.5Å; A360-L426 WeakPolarHBondContact O-CD2 3.44Å; A360-L426 WeakPolarHBondContact O-CG 3.36Å; A360-L426 PolarHBondContact O-N 3.03Å
361	N	92.7	Very high	96.1	Very high	86 Å²	86	28 Å²	28	46%	0.46	14%	0.135	S	C	.	.	S	Bend	trans	-85.3	12.4	171.8	63.9	-29.4	0	0	0	113.2	A425 Y471	N361-A425 VanDerWaalsContact C-CB 3.46Å; N361-Y471 VanDerWaalsContact ND2-CZ 3.33Å; N361-Y471 PolarHBondContact ND2-OH 2.88Å; N361-Y471 VanDerWaalsContact OD1-CE1 3.29Å; N361-Y471 WeakPolarHBondContact OD1-CE1 3.45Å
362	F	95.1	Very high	96.1	Very high	34 Å²	34	28.1 Å²	28.1	15%	0.149	14%	0.135	C	C	.	.	S	Bend	trans	-133.9	159.9	176.2	51.6	-98.6	0	0	0	110.3	A360 L364 A425 L464 Q468 Y471 L472	A360-F362 HydrophobicContact CB-CD1 4.25Å; A360-F362 HydrophobicContact CB-CD2 4.08Å; A360-F362 HydrophobicContact CB-CE1 4.06Å; A360-F362 HydrophobicContact CB-CE2 3.91Å; A360-F362 HydrophobicContact CB-CG 4.26Å; A360-F362 HydrophobicContact CB-CZ 3.89Å; A360-F362 PolarHBondContact O-N 3.38Å; F362-L364 HydrophobicContact CD2-CD2 4.07Å; F362-L364 HydrophobicContact CD2-CG 4.29Å; F362-L364 HydrophobicContact CE2-CD2 3.62Å; F362-L364 HydrophobicContact CE2-CG 4.13Å; F362-A425 WeakPolarHBondContact O-CA 3.47Å; F362-L464 HydrophobicContact CE2-CD2 4.01Å; F362-L464 HydrophobicContact CZ-CD2 4.22Å; F362-Q468 HydrophobicContact CD1-CG 4.33Å; F362-Q468 HydrophobicContact CD2-CG 3.83Å; F362-Q468 HydrophobicContact CE1-CB 4.37Å; F362-Q468 HydrophobicContact CE1-CG 4.18Å; F362-Q468 HydrophobicContact CE2-CB 4.08Å; F362-Q468 VanDerWaalsContact CE2-CD 3.48Å; F362-Q468 HydrophobicContact CE2-CG 3.62Å; F362-Q468 HydrophobicContact CG-CG 4.17Å; F362-Q468 HydrophobicContact CZ-CB 3.89Å; F362-Q468 HydrophobicContact CZ-CG 3.82Å; F362-Y471 HydrophobicContact CE1-CD1 4.12Å; F362-Y471 HydrophobicContact CE1-CE1 4.48Å; F362-L472 HydrophobicContact CZ-CD1 4.29Å; F362-L472 HydrophobicContact CZ-CG 4.5Å
363	N	96	Very high	96.1	Very high	93 Å²	93	28.2 Å²	28.2	50%	0.497	14%	0.136	S	C	.	.			trans	-76.3	143.9	178.6	-63.5	-15.7	0	0	0	110.4	T422 L423 P424 A425	N363-T422 HydrophobicContact CB-CG2 3.92Å; N363-L423 WeakPolarHBondContact CA-O 3.35Å; N363-P424 WeakPolarHBondContact OD1-CA 3.3Å; N363-A425 PolarHBondContact OD1-N 2.82Å
364	L	95.5	Very high	96	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.5	178	-73.1	170.6	0	0	0	110	V336 A360 F362 I366 T422 L423 Y462 L464	V336-L364 HydrophobicContact CG2-CD1 3.33Å; A360-L364 HydrophobicContact CB-CD1 4.43Å; F362-L364 HydrophobicContact CD2-CD2 4.07Å; F362-L364 HydrophobicContact CD2-CG 4.29Å; F362-L364 HydrophobicContact CE2-CD2 3.62Å; F362-L364 HydrophobicContact CE2-CG 4.13Å; L364-I366 HydrophobicContact CB-CD1 4.31Å; L364-I366 HydrophobicContact CB-CG1 4.06Å; L364-T422 CarbonylContact O-C 3.57Å; L364-T422 WeakPolarHBondContact O-CA 3.49Å; L364-L423 HydrophobicContact CB-CB 4.38Å; L364-L423 PolarHBondContact N-O 2.9Å; L364-L423 PolarHBondContact O-N 2.81Å; L364-Y462 HydrophobicContact CD2-CD2 4.24Å; L364-L464 HydrophobicContact CD2-CD2 3.64Å
365	E	95.8	Very high	95.8	Very high	93 Å²	93	27.6 Å²	27.6	44%	0.435	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.1	167.7	-172.6	161.1	-148	0	0	109	R401 V420 Y462	E365-R401 WeakPolarHBondContact OE1-CD 3.4Å; E365-R401 IonicContact OE1-CZ 3.24Å; E365-R401 IonicContact OE1-NE 3.82Å; E365-R401 IonicContact OE1-NH1 3.76Å; E365-R401 PolarHBondContact OE1-NH1 2.94Å; E365-R401 IonicContact OE2-NH1 3.37Å; E365-R401 PolarHBondContact OE2-NH1 2.58Å; E365-R401 VanDerWaalsContact OE2-NH1 3.1Å; E365-V420 HydrophobicContact CG-CG1 3.95Å; E365-Y462 WeakPolarHBondContact O-CB 3.31Å
366	I	96.9	Very high	95.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.4	-170.5	-58.9	-163.8	0	0	0	109.6	V336 L356 L364 V420 I421 L423 V460 S461	V336-I366 HydrophobicContact CG1-CD1 4.42Å; L356-I366 HydrophobicContact CD1-CG2 4.3Å; L364-I366 HydrophobicContact CB-CD1 4.31Å; L364-I366 HydrophobicContact CB-CG1 4.06Å; I366-V420 WeakPolarHBondContact O-CA 3.29Å; I366-I421 PolarHBondContact N-O 2.78Å; I366-I421 PolarHBondContact O-N 3.41Å; I366-L423 HydrophobicContact CD1-CB 3.47Å; I366-L423 VanDerWaalsContact CD1-CB 3.47Å; I366-L423 HydrophobicContact CD1-CD2 3.35Å; I366-L423 HydrophobicContact CD1-CG 4.03Å; I366-L423 HydrophobicContact CG1-CB 3.97Å; I366-V460 HydrophobicContact CD1-CG1 4.46Å; I366-V460 HydrophobicContact CG2-CG1 3.4Å; I366-S461 WeakPolarHBondContact CA-O 3.28Å
367	V	97.6	Very high	95.5	Very high	25 Å²	25	27.9 Å²	27.9	15%	0.152	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114.4	165	-167.4	0	0	0	0	108.7	H150 S151 E418 L419 V420 V460 S461	H150-V367 HydrophobicContact CB-CG1 3.91Å; H150-V367 HydrophobicContact CB-CG2 4.38Å; S151-V367 WeakPolarHBondContact OG-CG1 3.41Å; V367-E418 HydrophobicContact CG1-CG 4.25Å; V367-L419 CarbonylContact C-O 3.52Å; V367-L419 VanDerWaalsContact CA-O 3.24Å; V367-L419 WeakPolarHBondContact CA-O 3.22Å; V367-V420 HydrophobicContact CG2-CG2 4.37Å; V367-V460 WeakPolarHBondContact O-CA 3.14Å; V367-S461 PolarHBondContact N-O 3.08Å; V367-S461 PolarHBondContact O-N 2.85Å
368	Y	98.1	Very high	95.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129	172.2	174.2	-83.4	0	0	0	109.2	A354 L356 D370 E418 L419 I431 A458 T459 V460	A354-Y368 HydrophobicContact CB-CE2 3.77Å; L356-Y368 HydrophobicContact CD1-CD2 4.23Å; L356-Y368 HydrophobicContact CD2-CD2 4.45Å; Y368-D370 HydrophobicContact CD1-CB 4.5Å; Y368-D370 HydrophobicContact CE1-CB 3.55Å; Y368-D370 PolarHBondContact OH-OD2 2.93Å; Y368-E418 CarbonylContact O-C 3.59Å; Y368-E418 WeakPolarHBondContact O-CA 3.24Å; Y368-L419 HydrophobicContact CD1-CD1 3.76Å; Y368-L419 HydrophobicContact CG-CD1 4.32Å; Y368-L419 PolarHBondContact N-O 3.06Å; Y368-L419 PolarHBondContact O-N 3.09Å; Y368-I431 HydrophobicContact CD1-CD1 3.97Å; Y368-I431 HydrophobicContact CD2-CD1 3.71Å; Y368-I431 HydrophobicContact CE1-CD1 4.31Å; Y368-I431 HydrophobicContact CE1-CG2 4.49Å; Y368-I431 HydrophobicContact CE2-CD1 4.08Å; Y368-I431 HydrophobicContact CG-CD1 3.65Å; Y368-A458 HydrophobicContact CD2-CB 4.47Å; Y368-A458 HydrophobicContact CE1-CB 4.48Å; Y368-A458 HydrophobicContact CE2-CB 3.6Å; Y368-A458 WeakPolarHBondContact OH-CB 3.46Å; Y368-T459 WeakPolarHBondContact CA-O 2.96Å; Y368-V460 HydrophobicContact CD2-CG2 4.05Å
369	F	98.1	Very high	95.4	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.009	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.4	178.4	172.1	-104.6	0	0	0	111.2	A146 P148 S151 Y152 Y169 L371 I417 E418 A458 T459	A146-F369 HydrophobicContact CB-CZ 4.2Å; P148-F369 HydrophobicContact CB-CD2 4.01Å; P148-F369 HydrophobicContact CB-CE1 4.46Å; P148-F369 HydrophobicContact CB-CE2 3.72Å; P148-F369 HydrophobicContact CB-CG 4.47Å; P148-F369 HydrophobicContact CB-CZ 3.97Å; P148-F369 HydrophobicContact CG-CE1 4.48Å; P148-F369 HydrophobicContact CG-CE2 4.41Å; P148-F369 HydrophobicContact CG-CZ 4.16Å; S151-F369 WeakPolarHBondContact OG-CB 3.32Å; Y152-F369 HydrophobicContact CE2-CD1 4.1Å; Y152-F369 HydrophobicContact CE2-CE1 4.39Å; Y169-F369 HydrophobicContact CD1-CD1 4.5Å; Y169-F369 AromaticContact CD1-CE1 3.43Å; Y169-F369 HydrophobicContact CD1-CE1 3.43Å; Y169-F369 VanDerWaalsContact CD1-CE1 3.43Å; Y169-F369 HydrophobicContact CD1-CZ 4.03Å; Y169-F369 HydrophobicContact CE1-CD1 4.41Å; Y169-F369 AromaticContact CE1-CE1 3.65Å; Y169-F369 HydrophobicContact CE1-CE1 3.65Å; Y169-F369 HydrophobicContact CG-CE1 4.11Å; F369-L371 HydrophobicContact CE1-CD2 3.94Å; F369-L371 HydrophobicContact CE1-CG 4.14Å; F369-L371 HydrophobicContact CZ-CD2 3.59Å; F369-L371 HydrophobicContact CZ-CG 4.28Å; F369-I417 WeakPolarHBondContact CA-O 3.24Å; F369-E418 HydrophobicContact CB-CG 4.36Å; F369-E418 HydrophobicContact CD2-CB 3.98Å; F369-E418 HydrophobicContact CD2-CG 4.1Å; F369-A458 CarbonylContact O-C 3.6Å; F369-A458 VanDerWaalsContact O-CA 3.25Å; F369-A458 WeakPolarHBondContact O-CA 3.5Å; F369-T459 PolarHBondContact N-O 2.83Å; F369-T459 PolarHBondContact O-N 3.42Å
370	D	97.5	Very high	95.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	132	-176.7	-160.9	8.6	0	0	0	110.3	K340 Y368 S416 I417 Y433 A458	K340-D370 IonicContact NZ-OD1 3.47Å; K340-D370 PolarHBondContact NZ-OD1 3.16Å; K340-D370 IonicContact NZ-OD2 2.65Å; Y368-D370 HydrophobicContact CD1-CB 4.5Å; Y368-D370 HydrophobicContact CE1-CB 3.55Å; Y368-D370 PolarHBondContact OH-OD2 2.93Å; D370-S416 VanDerWaalsContact O-CA 3.25Å; D370-S416 WeakPolarHBondContact O-CA 3.2Å; D370-I417 PolarHBondContact N-O 3.31Å; D370-I417 PolarHBondContact O-N 3.08Å; D370-Y433 PolarHBondContact OD2-OH 2.89Å; D370-A458 HydrophobicContact CB-CB 3.98Å
371	L	97.3	Very high	95.5	Very high	2 Å²	2	33 Å²	33	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	135.7	175	-69.2	-179.4	0	0	0	109.7	A146 Y169 Q171 F369 P373 M414 P456	A146-L371 HydrophobicContact CB-CD2 3.52Å; Y169-L371 HydrophobicContact CD1-CD1 3.88Å; Y169-L371 HydrophobicContact CD1-CD2 4.17Å; Y169-L371 HydrophobicContact CD1-CG 4.21Å; Y169-L371 HydrophobicContact CE1-CD1 3.66Å; Y169-L371 HydrophobicContact CE1-CG 4.08Å; Q171-L371 HydrophobicContact CB-CD1 4.43Å; Q171-L371 HydrophobicContact CG-CD1 4.4Å; F369-L371 HydrophobicContact CE1-CD2 3.94Å; F369-L371 HydrophobicContact CE1-CG 4.14Å; F369-L371 HydrophobicContact CZ-CD2 3.59Å; F369-L371 HydrophobicContact CZ-CG 4.28Å; L371-P373 WeakPolarHBondContact O-CD 3.42Å; L371-M414 HydrophobicContact CB-CG 4.48Å; L371-M414 HydrophobicContact CB-SD 3.89Å; L371-M414 HydrophobicContact CD2-CG 3.93Å; L371-M414 HydrophobicContact CD2-SD 4.43Å; L371-P456 HydrophobicContact CB-CB 3.95Å; L371-P456 HydrophobicContact CB-CG 3.92Å; L371-P456 HydrophobicContact CD1-CB 4.13Å; L371-P456 HydrophobicContact CD1-CG 4.24Å
372	I	96.4	Very high	95.6	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	96.1	-179.5	-61.3	164	0	0	0	108	T376 V378 F380 S408 G415 I417	I372-T376 WeakPolarHBondContact CG2-O 3.14Å; I372-T376 WeakPolarHBondContact CG2-OG1 3.3Å; I372-V378 HydrophobicContact CD1-CB 4.33Å; I372-V378 HydrophobicContact CD1-CG2 3.72Å; I372-V378 HydrophobicContact CG1-CG2 4.09Å; I372-V378 HydrophobicContact CG2-CG2 3.6Å; I372-F380 HydrophobicContact CD1-CE1 4.09Å; I372-F380 HydrophobicContact CD1-CZ 4.14Å; I372-S408 WeakPolarHBondContact O-CB 3.27Å; I372-G415 PolarHBondContact N-O 3.38Å; I372-G415 WeakPolarHBondContact O-CA 3.46Å; I372-G415 PolarHBondContact O-N 3.41Å; I372-I417 HydrophobicContact CD1-CD1 3.72Å; I372-I417 HydrophobicContact CD1-CG1 3.64Å
373	P	95.9	Very high	95.7	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.026	16%	0.161	C	C	.	.			trans	-53.9	150.3	178.4	-27.5	35.6	0	0	0	112.5	L371 Y375 T376 M414 L455 P456	L371-P373 WeakPolarHBondContact O-CD 3.42Å; P373-Y375 HydrophobicContact CB-CD1 3.89Å; P373-Y375 HydrophobicContact CB-CD2 3.98Å; P373-Y375 HydrophobicContact CB-CE1 3.4Å; P373-Y375 VanDerWaalsContact CB-CE1 3.4Å; P373-Y375 HydrophobicContact CB-CE2 3.52Å; P373-Y375 HydrophobicContact CB-CG 4.15Å; P373-Y375 HydrophobicContact CG-CE1 4.27Å; P373-Y375 HydrophobicContact CG-CE2 3.98Å; P373-Y375 WeakPolarHBondContact CG-OH 3.37Å; P373-Y375 PolarHBondContact O-N 2.83Å; P373-Y375 VanDerWaalsContact O-N 3.07Å; P373-T376 CarbonylContact O-C 3.55Å; P373-T376 PolarHBondContact O-N 2.7Å; P373-T376 PolarHBondContact O-OG1 3.1Å; P373-M414 WeakPolarHBondContact CA-SD 3.32Å; P373-M414 HydrophobicContact CB-CE 4.45Å; P373-M414 HydrophobicContact CB-SD 4.43Å; P373-M414 HydrophobicContact CG-CE 4.31Å; P373-M414 HydrophobicContact CG-SD 4.32Å; P373-M414 VanDerWaalsContact N-SD 3.37Å; P373-L455 HydrophobicContact CG-CD2 4.04Å; P373-P456 VanDerWaalsContact CG-CD 3.48Å; P373-P456 HydrophobicContact CG-CG 4.15Å
374	W	94.9	Very high	95.7	Very high	21 Å²	21	32.4 Å²	32.4	8%	0.08	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.8	-176.5	61.8	-102.8	0	0	0	114.3	E143 T376 L409 R411 Q440	E143-W374 PolarHBondContact OE2-NE1 2.91Å; E143-W374 VanDerWaalsContact OE2-NE1 3.14Å; W374-T376 PolarHBondContact O-N 3.44Å; W374-L409 VanDerWaalsContact CB-O 3.23Å; W374-L409 WeakPolarHBondContact CB-O 3Å; W374-R411 HydrophobicContact CD2-CG 4.48Å; W374-R411 HydrophobicContact CE3-CG 3.89Å; W374-R411 HydrophobicContact CH2-CG 3.86Å; W374-R411 HydrophobicContact CZ2-CG 4.43Å; W374-R411 HydrophobicContact CZ3-CG 3.56Å; W374-Q440 VanDerWaalsContact CH2-OE1 3.26Å
375	Y	94.2	Very high	95.8	Very high	22 Å²	22	33 Å²	33	9%	0.086	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-3.8	175.8	52.5	-107.3	0	0	0	113.6	P373 V438 Q440 F453 F454 L455 M519	P373-Y375 HydrophobicContact CB-CD1 3.89Å; P373-Y375 HydrophobicContact CB-CD2 3.98Å; P373-Y375 HydrophobicContact CB-CE1 3.4Å; P373-Y375 VanDerWaalsContact CB-CE1 3.4Å; P373-Y375 HydrophobicContact CB-CE2 3.52Å; P373-Y375 HydrophobicContact CB-CG 4.15Å; P373-Y375 HydrophobicContact CG-CE1 4.27Å; P373-Y375 HydrophobicContact CG-CE2 3.98Å; P373-Y375 WeakPolarHBondContact CG-OH 3.37Å; P373-Y375 PolarHBondContact O-N 2.83Å; P373-Y375 VanDerWaalsContact O-N 3.07Å; Y375-V438 PolarHBondContact O-N 3.02Å; Y375-Q440 VanDerWaalsContact CB-NE2 3.31Å; Y375-F453 HydrophobicContact CD1-CD1 4.19Å; Y375-F453 AromaticContact CE1-CD1 4Å; Y375-F453 HydrophobicContact CE1-CD1 4Å; Y375-F453 HydrophobicContact CE2-CB 3.96Å; Y375-F454 PolarHBondContact OH-O 3.46Å; Y375-L455 HydrophobicContact CE2-CD2 4.07Å; Y375-M519 HydrophobicContact CD2-CE 3.28Å; Y375-M519 HydrophobicContact CE2-CE 4.02Å; Y375-M519 HydrophobicContact CG-CE 3.93Å
376	T	94.3	Very high	95.9	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	113.3	169.4	54	0	0	0	0	110.2	I372 P373 W374 S408 F435 L455	I372-T376 WeakPolarHBondContact CG2-O 3.14Å; I372-T376 WeakPolarHBondContact CG2-OG1 3.3Å; P373-T376 CarbonylContact O-C 3.55Å; P373-T376 PolarHBondContact O-N 2.7Å; P373-T376 PolarHBondContact O-OG1 3.1Å; W374-T376 PolarHBondContact O-N 3.44Å; T376-S408 PolarHBondContact O-OG 2.98Å; T376-F435 HydrophobicContact CG2-CD2 3.55Å; T376-F435 HydrophobicContact CG2-CE1 4.43Å; T376-F435 HydrophobicContact CG2-CE2 3.45Å; T376-F435 VanDerWaalsContact CG2-CE2 3.45Å; T376-F435 HydrophobicContact CG2-CG 4.12Å; T376-F435 HydrophobicContact CG2-CZ 3.93Å; T376-L455 HydrophobicContact CG2-CD2 3.78Å
377	Q	94.1	Very high	95.9	Very high	38 Å²	38	30.3 Å²	30.3	18%	0.178	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	105.5	178.4	-72.4	179.5	-17.2	0	0	109.9	F435 R436 V438	Q377-F435 CarbonylContact O-C 3.57Å; Q377-F435 WeakPolarHBondContact O-CA 3.47Å; Q377-F435 WeakPolarHBondContact O-CB 3.44Å; Q377-R436 HydrophobicContact CB-CG 3.74Å; Q377-R436 PolarHBondContact N-O 3.5Å; Q377-R436 PolarHBondContact O-N 2.7Å; Q377-V438 HydrophobicContact CG-CG2 3.85Å
378	V	95.4	Very high	95.9	Very high	14 Å²	14	30 Å²	30	9%	0.085	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	133.5	-177	175.4	0	0	0	0	110.9	I372 F380 Y433 F435	I372-V378 HydrophobicContact CD1-CB 4.33Å; I372-V378 HydrophobicContact CD1-CG2 3.72Å; I372-V378 HydrophobicContact CG1-CG2 4.09Å; I372-V378 HydrophobicContact CG2-CG2 3.6Å; V378-F380 HydrophobicContact CB-CD1 4.42Å; V378-F380 HydrophobicContact CB-CE1 3.94Å; V378-F380 HydrophobicContact CB-CE2 4.34Å; V378-F380 HydrophobicContact CB-CZ 3.91Å; V378-F380 HydrophobicContact CG1-CD1 3.71Å; V378-F380 HydrophobicContact CG1-CE1 3.62Å; V378-F380 HydrophobicContact CG1-CG 4.24Å; V378-F380 HydrophobicContact CG1-CZ 4.09Å; V378-F380 PolarHBondContact O-N 3.47Å; V378-Y433 HydrophobicContact CB-CD2 4.32Å; V378-Y433 HydrophobicContact CG1-CD2 3.66Å; V378-Y433 HydrophobicContact CG1-CE2 4.41Å; V378-Y433 HydrophobicContact CG1-CG 4.11Å; V378-Y433 HydrophobicContact CG2-CD2 3.61Å; V378-Y433 HydrophobicContact CG2-CE2 3.58Å; V378-F435 HydrophobicContact CB-CB 4.48Å; V378-F435 HydrophobicContact CG2-CB 3.91Å
379	F	94.1	Very high	95.7	Very high	77 Å²	77	31.9 Å²	31.9	34%	0.338	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	95.9	166.3	-59.3	-73.6	0	0	0	108.1	S381 S382 V434 R436	F379-S381 PolarHBondContact O-N 2.91Å; F379-S381 VanDerWaalsContact O-N 3.13Å; F379-S382 WeakPolarHBondContact O-CA 3.15Å; F379-S382 VanDerWaalsContact O-CB 3.3Å; F379-S382 WeakPolarHBondContact O-CB 3.42Å; F379-S382 PolarHBondContact O-N 2.78Å; F379-S382 PolarHBondContact O-OG 3.4Å; F379-V434 HydrophobicContact CD2-CG1 4.22Å; F379-V434 PolarHBondContact N-O 3.49Å; F379-R436 HydrophobicContact CE2-CB 3.94Å; F379-R436 HydrophobicContact CE2-CG 4.37Å; F379-R436 HydrophobicContact CZ-CB 3.95Å; F379-R436 HydrophobicContact CZ-CG 4.05Å
380	F	92	Very high	95.4	Very high	55 Å²	55	35.3 Å²	35.3	24%	0.241	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	-22.3	-175	-65.8	-69.9	0	0	0	114.2	I372 V378 S382 L383 V405 P407 I417	I372-F380 HydrophobicContact CD1-CE1 4.09Å; I372-F380 HydrophobicContact CD1-CZ 4.14Å; V378-F380 HydrophobicContact CB-CD1 4.42Å; V378-F380 HydrophobicContact CB-CE1 3.94Å; V378-F380 HydrophobicContact CB-CE2 4.34Å; V378-F380 HydrophobicContact CB-CZ 3.91Å; V378-F380 HydrophobicContact CG1-CD1 3.71Å; V378-F380 HydrophobicContact CG1-CE1 3.62Å; V378-F380 HydrophobicContact CG1-CG 4.24Å; V378-F380 HydrophobicContact CG1-CZ 4.09Å; V378-F380 PolarHBondContact O-N 3.47Å; F380-S382 PolarHBondContact O-N 2.88Å; F380-L383 VanDerWaalsContact O-CB 3.25Å; F380-L383 WeakPolarHBondContact O-CB 3.45Å; F380-L383 PolarHBondContact O-N 3.44Å; F380-L383 VanDerWaalsContact O-N 3.08Å; F380-V405 HydrophobicContact CD1-CB 4.33Å; F380-V405 HydrophobicContact CD1-CG1 3.31Å; F380-V405 HydrophobicContact CD1-CG2 4.06Å; F380-V405 HydrophobicContact CD2-CG1 3.67Å; F380-V405 HydrophobicContact CE1-CB 4.3Å; F380-V405 HydrophobicContact CE1-CG1 3.11Å; F380-V405 HydrophobicContact CE1-CG2 4.28Å; F380-V405 HydrophobicContact CE2-CG1 3.49Å; F380-V405 VanDerWaalsContact CE2-CG1 3.49Å; F380-V405 HydrophobicContact CG-CG1 3.58Å; F380-V405 HydrophobicContact CZ-CG1 3.2Å; F380-P407 HydrophobicContact CD2-CG 4.32Å; F380-P407 HydrophobicContact CE2-CB 3.73Å; F380-P407 HydrophobicContact CE2-CG 3.69Å; F380-P407 HydrophobicContact CZ-CB 4.44Å; F380-I417 HydrophobicContact CD1-CD1 4.31Å; F380-I417 HydrophobicContact CD1-CG1 4.38Å; F380-I417 HydrophobicContact CE1-CD1 3.82Å; F380-I417 HydrophobicContact CE1-CG1 3.69Å
381	S	94	Very high	95.1	Very high	121 Å²	121	44.1 Å²	44.1	85%	0.846	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	-17.7	169	56.1	0	0	0	0	113.9	F379	F379-S381 PolarHBondContact O-N 2.91Å; F379-S381 VanDerWaalsContact O-N 3.13Å
382	S	95.6	Very high	94.9	Very high	26 Å²	26	48.2 Å²	48.2	18%	0.182	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-3	175.7	73.9	0	0	0	0	113.9	F379 F380 K384 V434	F379-S382 WeakPolarHBondContact O-CA 3.15Å; F379-S382 VanDerWaalsContact O-CB 3.3Å; F379-S382 WeakPolarHBondContact O-CB 3.42Å; F379-S382 PolarHBondContact O-N 2.78Å; F379-S382 PolarHBondContact O-OG 3.4Å; F380-S382 PolarHBondContact O-N 2.88Å; S382-K384 PolarHBondContact O-N 2.91Å; S382-V434 WeakPolarHBondContact OG-CB 3.43Å; S382-V434 PolarHBondContact OG-N 2.96Å; S382-V434 PolarHBondContact OG-O 2.83Å
383	L	96.6	Very high	94.7	Very high	35 Å²	35	53.9 Å²	53.9	18%	0.183	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	117.4	177.9	-179.8	63.1	0	0	0	109.5	F380 I385 L403 I431 T432 Y433	F380-L383 VanDerWaalsContact O-CB 3.25Å; F380-L383 WeakPolarHBondContact O-CB 3.45Å; F380-L383 PolarHBondContact O-N 3.44Å; F380-L383 VanDerWaalsContact O-N 3.08Å; L383-I385 HydrophobicContact CD1-CD1 4.45Å; L383-I385 HydrophobicContact CD1-CG1 4.21Å; L383-I385 HydrophobicContact CD2-CD1 4.42Å; L383-I385 HydrophobicContact CG-CD1 4.4Å; L383-I385 HydrophobicContact CG-CG1 4.32Å; L383-L403 HydrophobicContact CD2-CD1 4.04Å; L383-L403 HydrophobicContact CD2-CD2 4.29Å; L383-I431 HydrophobicContact CD1-CG2 4.06Å; L383-T432 CarbonylContact C-O 3.53Å; L383-T432 WeakPolarHBondContact CA-O 3.25Å; L383-Y433 HydrophobicContact CD1-CD1 4.28Å
384	K	96.5	Very high	94.6	Very high	138 Å²	138	58.6 Å²	58.6	60%	0.6	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.8	175.3	-64	179.6	-177.5	-176.4	0	108.8	S382 Y386 T432	S382-K384 PolarHBondContact O-N 2.91Å; K384-Y386 HydrophobicContact CB-CD1 4.45Å; K384-T432 HydrophobicContact CB-CG2 3.87Å; K384-T432 PolarHBondContact N-O 3.15Å; K384-T432 PolarHBondContact O-N 3.1Å
385	I	97.6	Very high	94.6	Very high	14 Å²	14	63.9 Å²	63.9	7%	0.072	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.4	178.8	-51.6	172.3	0	0	0	108.3	L383 I398 P400 L419 I421 L429 I430 I431	L383-I385 HydrophobicContact CD1-CD1 4.45Å; L383-I385 HydrophobicContact CD1-CG1 4.21Å; L383-I385 HydrophobicContact CD2-CD1 4.42Å; L383-I385 HydrophobicContact CG-CD1 4.4Å; L383-I385 HydrophobicContact CG-CG1 4.32Å; I385-I398 PolarHBondContact O-N 3.45Å; I385-I398 VanDerWaalsContact O-N 3.1Å; I385-P400 HydrophobicContact CD1-CG 4.29Å; I385-L419 HydrophobicContact CD1-CD1 3.94Å; I385-L419 HydrophobicContact CD1-CD2 3.67Å; I385-I421 HydrophobicContact CB-CD1 4.49Å; I385-I421 HydrophobicContact CD1-CD1 4.41Å; I385-I421 HydrophobicContact CG2-CD1 3.42Å; I385-I421 VanDerWaalsContact CG2-CD1 3.42Å; I385-L429 HydrophobicContact CG2-CD1 3.78Å; I385-L429 HydrophobicContact CG2-CG 4.3Å; I385-I430 WeakPolarHBondContact CA-O 3.34Å; I385-I431 HydrophobicContact CG1-CG1 4.33Å; I385-I431 HydrophobicContact CG1-CG2 4.32Å; I385-I431 HydrophobicContact CG2-CG1 4.04Å
386	Y	97.1	Very high	94.6	Very high	38 Å²	38	66.2 Å²	66.2	15%	0.149	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	147.9	-179	52.5	-84.6	0	0	0	110.6	K384 K395 T396 I430 T432	K384-Y386 HydrophobicContact CB-CD1 4.45Å; Y386-K395 HydrophobicContact CD2-CD 4.19Å; Y386-K395 HydrophobicContact CD2-CG 4.22Å; Y386-K395 HydrophobicContact CE2-CD 4.15Å; Y386-T396 CarbonylContact C-O 3.59Å; Y386-T396 WeakPolarHBondContact CA-O 3.46Å; Y386-T396 WeakPolarHBondContact CB-O 3.38Å; Y386-I430 HydrophobicContact CD2-CB 4.06Å; Y386-I430 HydrophobicContact CD2-CD1 4.22Å; Y386-I430 HydrophobicContact CE1-CB 4.3Å; Y386-I430 HydrophobicContact CE1-CG2 4Å; Y386-I430 HydrophobicContact CE2-CB 3.71Å; Y386-I430 HydrophobicContact CE2-CD1 3.54Å; Y386-I430 HydrophobicContact CE2-CG1 4.14Å; Y386-I430 HydrophobicContact CE2-CG2 3.91Å; Y386-I430 PolarHBondContact N-O 3.09Å; Y386-I430 VanDerWaalsContact N-O 3.08Å; Y386-I430 PolarHBondContact O-N 2.94Å; Y386-I430 WeakPolarHBondContact OH-CG2 3.4Å; Y386-T432 HydrophobicContact CE1-CG2 4.14Å
387	S	96.9	Very high	94.7	Very high	0 Å²	0	72 Å²	72	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	140.6	168	176.4	0	0	0	0	109.8	K395 T396 N427 Q428	S387-K395 WeakPolarHBondContact O-CA 3.49Å; S387-T396 PolarHBondContact N-O 2.89Å; S387-T396 PolarHBondContact O-N 2.79Å; S387-N427 WeakPolarHBondContact OG-CB 3.31Å; S387-N427 PolarHBondContact OG-ND2 3.49Å; S387-N427 VanDerWaalsContact OG-ND2 3.1Å; S387-Q428 CarbonylContact C-O 2.84Å; S387-Q428 VanDerWaalsContact CA-O 3.27Å; S387-Q428 WeakPolarHBondContact CA-O 3.45Å
388	L	96.7	Very high	94.7	Very high	19 Å²	19	71.6 Å²	71.6	10%	0.099	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.2	173.2	-179.3	69.9	0	0	0	107.6	Q393 K395 Q428 I430	L388-Q393 WeakPolarHBondContact CD1-O 3.46Å; L388-K395 HydrophobicContact CD1-CG 3.74Å; L388-Q428 PolarHBondContact N-O 3.01Å; L388-Q428 PolarHBondContact O-N 2.84Å; L388-I430 HydrophobicContact CB-CD1 4.16Å; L388-I430 HydrophobicContact CD2-CD1 4.21Å
389	D	95.1	Very high	94.6	Very high	39 Å²	39	76.7 Å²	76.7	21%	0.209	41%	0.405	C	S	.	.			trans	-80.4	119.1	165.8	171.2	-1.7	0	0	0	108.4	K391 T392 Q393 N394	D389-K391 PolarHBondContact O-N 2.83Å; D389-K391 WeakPolarHBondContact OD1-CB 3.47Å; D389-K391 PolarHBondContact OD1-N 3.47Å; D389-T392 WeakPolarHBondContact CB-OG1 3.41Å; D389-T392 VanDerWaalsContact OD2-CG2 3.3Å; D389-T392 WeakPolarHBondContact OD2-CG2 3.37Å; D389-T392 PolarHBondContact OD2-OG1 3.14Å; D389-Q393 WeakPolarHBondContact O-CA 3.23Å; D389-Q393 PolarHBondContact O-N 3.41Å; D389-N394 PolarHBondContact N-O 3.3Å
390	P	91.1	Very high	94.8	Very high	73 Å²	73	74.7 Å²	74.7	47%	0.474	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.6	-178	25.3	-33.7	0	0	0	113.7	Q393 L426	P390-Q393 PolarHBondContact O-NE2 2.96Å; P390-L426 VanDerWaalsContact CD-O 3.28Å; P390-L426 WeakPolarHBondContact CD-O 3.47Å; P390-L426 WeakPolarHBondContact CG-O 3.47Å
391	K	92.3	Very high	95	Very high	185 Å²	185	80.3 Å²	80.3	80%	0.804	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-49	-178.7	-65	-179.1	179.7	178.6	0	112	D389	D389-K391 PolarHBondContact O-N 2.83Å; D389-K391 WeakPolarHBondContact OD1-CB 3.47Å; D389-K391 PolarHBondContact OD1-N 3.47Å
392	T	92.3	Very high	95.1	Very high	89 Å²	89	78.5 Å²	78.5	55%	0.546	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-13.1	-177.1	61.5	0	0	0	0	113	D389 N394	D389-T392 WeakPolarHBondContact CB-OG1 3.41Å; D389-T392 VanDerWaalsContact OD2-CG2 3.3Å; D389-T392 WeakPolarHBondContact OD2-CG2 3.37Å; D389-T392 PolarHBondContact OD2-OG1 3.14Å; T392-N394 PolarHBondContact O-N 2.81Å; T392-N394 WeakPolarHBondContact OG1-CB 3.46Å; T392-N394 PolarHBondContact OG1-N 2.88Å
393	Q	92.1	Very high	95.1	Very high	120 Å²	120	81.2 Å²	81.2	56%	0.561	41%	0.407	S	S	*	.			trans	55.1	16.9	-169.9	-64.5	-66.1	-42.9	0	0	113.4	L388 D389 P390	L388-Q393 WeakPolarHBondContact CD1-O 3.46Å; D389-Q393 WeakPolarHBondContact O-CA 3.23Å; D389-Q393 PolarHBondContact O-N 3.41Å; P390-Q393 PolarHBondContact O-NE2 2.96Å
394	N	93.8	Very high	95.1	Very high	104 Å²	104	81.1 Å²	81.1	56%	0.556	41%	0.411	S	S	*	.			trans	-76.9	136.9	-177.8	-158.9	5.4	0	0	0	109.9	D389 T392	D389-N394 PolarHBondContact N-O 3.3Å; T392-N394 PolarHBondContact O-N 2.81Å; T392-N394 WeakPolarHBondContact OG1-CB 3.46Å; T392-N394 PolarHBondContact OG1-N 2.88Å
395	K	94.6	Very high	95.1	Very high	132 Å²	132	77 Å²	77	57%	0.574	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.4	-177.7	-70.3	178.3	-174.6	169.1	0	109.9	Y386 S387 L388	Y386-K395 HydrophobicContact CD2-CD 4.19Å; Y386-K395 HydrophobicContact CD2-CG 4.22Å; Y386-K395 HydrophobicContact CE2-CD 4.15Å; S387-K395 WeakPolarHBondContact O-CA 3.49Å; L388-K395 HydrophobicContact CD1-CG 3.74Å
396	T	95.5	Very high	95	Very high	71 Å²	71	80.9 Å²	80.9	44%	0.436	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.6	175.7	56.7	0	0	0	0	109.3	Y386 S387 I398	Y386-T396 CarbonylContact C-O 3.59Å; Y386-T396 WeakPolarHBondContact CA-O 3.46Å; Y386-T396 WeakPolarHBondContact CB-O 3.38Å; S387-T396 PolarHBondContact N-O 2.89Å; S387-T396 PolarHBondContact O-N 2.79Å; T396-I398 PolarHBondContact O-N 2.9Å
397	V	95.3	Very high	94.9	Very high	125 Å²	125	82 Å²	82	76%	0.758	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	131.2	175.7	178.6	0	0	0	0	108.2
398	I	93.6	Very high	94.8	Very high	29 Å²	29	82.5 Å²	82.5	15%	0.149	43%	0.429	C	S	.	.			trans	-112.7	126.3	177.8	-62.7	-168.4	0	0	0	109.1	I385 T396 I421 P424 L429	I385-I398 PolarHBondContact O-N 3.45Å; I385-I398 VanDerWaalsContact O-N 3.1Å; T396-I398 PolarHBondContact O-N 2.9Å; I398-I421 HydrophobicContact CB-CD1 4.31Å; I398-I421 HydrophobicContact CG2-CD1 3.66Å; I398-I421 HydrophobicContact CG2-CG1 3.76Å; I398-P424 HydrophobicContact CD1-CG 3.63Å; I398-L429 HydrophobicContact CB-CD1 4.36Å; I398-L429 HydrophobicContact CD1-CD1 3.93Å
399	T	94.9	Very high	94.7	Very high	120 Å²	120	85.5 Å²	85.5	74%	0.736	44%	0.444	S	S	*	.			trans	-87	123.4	171.4	49.8	0	0	0	0	109.7
400	P	96.6	Very high	94.6	Very high	36 Å²	36	85 Å²	85	23%	0.234	45%	0.446	C	S	.	.			trans	-65.6	146.2	174.4	29.2	-34.2	0	0	0	110.1	I385 W402 L403 L419 V420 I421	I385-P400 HydrophobicContact CD1-CG 4.29Å; P400-W402 PolarHBondContact O-N 3.1Å; P400-L403 HydrophobicContact CG-CB 4.13Å; P400-L419 HydrophobicContact CB-CD2 3.85Å; P400-L419 HydrophobicContact CG-CD2 3.88Å; P400-V420 CarbonylContact C-O 3.59Å; P400-I421 HydrophobicContact CB-CB 4.26Å; P400-I421 HydrophobicContact CB-CD1 4.22Å; P400-I421 HydrophobicContact CB-CG1 4.48Å
401	R	96.2	Very high	94.7	Very high	173 Å²	173	84.6 Å²	84.6	65%	0.653	44%	0.435	S	S	*	.	S	Bend	trans	-66.4	-32.1	173	-73.6	179.5	172.6	-173.4	-3	111.4	E365 V420	E365-R401 WeakPolarHBondContact OE1-CD 3.4Å; E365-R401 IonicContact OE1-CZ 3.24Å; E365-R401 IonicContact OE1-NE 3.82Å; E365-R401 IonicContact OE1-NH1 3.76Å; E365-R401 PolarHBondContact OE1-NH1 2.94Å; E365-R401 IonicContact OE2-NH1 3.37Å; E365-R401 PolarHBondContact OE2-NH1 2.58Å; E365-R401 VanDerWaalsContact OE2-NH1 3.1Å; R401-V420 PolarHBondContact N-O 3.35Å
402	W	96.9	Very high	94.8	Very high	83 Å²	83	82.6 Å²	82.6	31%	0.314	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	139.3	177.7	-171.9	89.9	0	0	0	110.3	T149 H150 P400 A404 E418 L419 V420	T149-W402 HydrophobicContact CG2-CH2 4.49Å; T149-W402 HydrophobicContact CG2-CZ2 4.47Å; H150-W402 AromaticContact CD2-CE3 3.87Å; H150-W402 AromaticContact CD2-CH2 3.69Å; H150-W402 AromaticContact CD2-CZ2 3.98Å; H150-W402 AromaticContact CD2-CZ3 3.67Å; H150-W402 AromaticContact NE2-CE2 3.88Å; H150-W402 AromaticContact NE2-CZ2 3.96Å; P400-W402 PolarHBondContact O-N 3.1Å; W402-A404 HydrophobicContact CE3-CB 4.26Å; W402-A404 HydrophobicContact CH2-CB 3.07Å; W402-A404 HydrophobicContact CZ2-CB 3.55Å; W402-A404 HydrophobicContact CZ3-CB 3.46Å; W402-A404 VanDerWaalsContact CZ3-CB 3.46Å; W402-E418 HydrophobicContact CH2-CB 4.44Å; W402-E418 HydrophobicContact CH2-CG 4.49Å; W402-E418 HydrophobicContact CZ3-CB 3.75Å; W402-E418 HydrophobicContact CZ3-CG 3.71Å; W402-L419 CarbonylContact O-C 3.51Å; W402-L419 WeakPolarHBondContact O-CA 3.33Å; W402-V420 HydrophobicContact CB-CB 3.93Å; W402-V420 HydrophobicContact CB-CG2 3.99Å; W402-V420 HydrophobicContact CE3-CG2 4.19Å; W402-V420 PolarHBondContact N-O 3.21Å; W402-V420 PolarHBondContact O-N 3.44Å
403	L	96.3	Very high	94.9	Very high	83 Å²	83	80.9 Å²	80.9	44%	0.435	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	115.1	179.4	169.2	67.9	0	0	0	108	L383 P400 V405 I417 E418 L419	L383-L403 HydrophobicContact CD2-CD1 4.04Å; L383-L403 HydrophobicContact CD2-CD2 4.29Å; P400-L403 HydrophobicContact CG-CB 4.13Å; L403-V405 HydrophobicContact CD1-CG2 3.63Å; L403-V405 HydrophobicContact CD2-CG2 4.35Å; L403-V405 HydrophobicContact CG-CG2 3.94Å; L403-I417 HydrophobicContact CD1-CG2 4.3Å; L403-E418 WeakPolarHBondContact CA-O 3.2Å; L403-L419 HydrophobicContact CB-CD2 4.3Å; L403-L419 HydrophobicContact CD1-CD2 3.35Å; L403-L419 HydrophobicContact CD1-CG 4.24Å; L403-L419 HydrophobicContact CG-CD2 4.38Å
404	A	96.3	Very high	95.1	Very high	32 Å²	32	75.4 Å²	75.4	26%	0.264	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128	164.4	0	0	0	0	0	110.2	W402 E418	W402-A404 HydrophobicContact CE3-CB 4.26Å; W402-A404 HydrophobicContact CH2-CB 3.07Å; W402-A404 HydrophobicContact CZ2-CB 3.55Å; W402-A404 HydrophobicContact CZ3-CB 3.46Å; W402-A404 VanDerWaalsContact CZ3-CB 3.46Å; A404-E418 PolarHBondContact N-O 3.33Å; A404-E418 PolarHBondContact O-N 3.07Å
405	V	95.2	Very high	95.2	Very high	53 Å²	53	70.5 Å²	70.5	32%	0.321	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.2	177.6	172.3	0	0	0	0	108.5	F380 L403 I417	F380-V405 HydrophobicContact CD1-CB 4.33Å; F380-V405 HydrophobicContact CD1-CG1 3.31Å; F380-V405 HydrophobicContact CD1-CG2 4.06Å; F380-V405 HydrophobicContact CD2-CG1 3.67Å; F380-V405 HydrophobicContact CE1-CB 4.3Å; F380-V405 HydrophobicContact CE1-CG1 3.11Å; F380-V405 HydrophobicContact CE1-CG2 4.28Å; F380-V405 HydrophobicContact CE2-CG1 3.49Å; F380-V405 VanDerWaalsContact CE2-CG1 3.49Å; F380-V405 HydrophobicContact CG-CG1 3.58Å; F380-V405 HydrophobicContact CZ-CG1 3.2Å; L403-V405 HydrophobicContact CD1-CG2 3.63Å; L403-V405 HydrophobicContact CD2-CG2 4.35Å; L403-V405 HydrophobicContact CG-CG2 3.94Å; V405-I417 HydrophobicContact CG2-CG1 4.43Å
406	K	95.4	Very high	95.4	Very high	94 Å²	94	64.7 Å²	64.7	41%	0.409	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	105.4	169.4	-151.2	-179.2	-177.7	169.1	0	107.7	G415 S416	K406-G415 CarbonylContact O-C 3.49Å; K406-G415 WeakPolarHBondContact O-CA 3.39Å; K406-S416 PolarHBondContact N-O 3.26Å; K406-S416 PolarHBondContact O-N 3.32Å
407	P	95.3	Very high	95.4	Very high	62 Å²	62	61.3 Å²	61.3	40%	0.403	31%	0.314	S	S	.	.			trans	-57.2	149.1	180	-25.7	34.1	0	0	0	112.2	F380 R413	F380-P407 HydrophobicContact CD2-CG 4.32Å; F380-P407 HydrophobicContact CE2-CB 3.73Å; F380-P407 HydrophobicContact CE2-CG 3.69Å; F380-P407 HydrophobicContact CZ-CB 4.44Å; P407-R413 PolarHBondContact O-NH1 2.81Å; P407-R413 PolarHBondContact O-NH2 2.98Å
408	S	95.4	Very high	95.6	Very high	10 Å²	10	55.6 Å²	55.6	7%	0.07	28%	0.279	C	S	.	.			trans	-78.6	148.7	171	67.7	0	0	0	0	110.7	I372 T376 R413	I372-S408 WeakPolarHBondContact O-CB 3.27Å; T376-S408 PolarHBondContact O-OG 2.98Å; S408-R413 WeakPolarHBondContact CA-O 3.31Å
409	L	94.8	Very high	95.7	Very high	82 Å²	82	54.2 Å²	54.2	43%	0.429	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-117.8	121.6	175.2	-62.4	178.1	0	0	0	108.6	W374 R411 K412 R413	W374-L409 VanDerWaalsContact CB-O 3.23Å; W374-L409 WeakPolarHBondContact CB-O 3Å; L409-R411 PolarHBondContact O-N 2.82Å; L409-K412 HydrophobicContact CB-CB 3.95Å; L409-K412 PolarHBondContact O-N 2.82Å; L409-R413 HydrophobicContact CB-CB 3.99Å; L409-R413 HydrophobicContact CD1-CB 4.27Å; L409-R413 HydrophobicContact CG-CB 4.29Å; L409-R413 PolarHBondContact N-O 3.45Å; L409-R413 PolarHBondContact O-N 2.97Å
410	A	93	Very high	95.9	Very high	30 Å²	30	49.3 Å²	49.3	25%	0.248	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	124.7	-175.6	0	0	0	0	0	111.3	K412 V438	A410-K412 PolarHBondContact O-N 2.9Å; A410-V438 HydrophobicContact CB-CG1 4.23Å; A410-V438 HydrophobicContact CB-CG2 4.44Å
411	R	92.7	Very high	95.9	Very high	63 Å²	63	47.6 Å²	47.6	24%	0.238	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	27.3	178.9	-51.9	166.6	179.3	85	14.2	114.2	E143 W374 L409 L439 E444	E143-R411 VanDerWaalsContact OE1-C 3.3Å; E143-R411 VanDerWaalsContact OE1-O 3.09Å; W374-R411 HydrophobicContact CD2-CG 4.48Å; W374-R411 HydrophobicContact CE3-CG 3.89Å; W374-R411 HydrophobicContact CH2-CG 3.86Å; W374-R411 HydrophobicContact CZ2-CG 4.43Å; W374-R411 HydrophobicContact CZ3-CG 3.56Å; L409-R411 PolarHBondContact O-N 2.82Å; R411-L439 PolarHBondContact NH2-O 3.13Å; R411-E444 WeakPolarHBondContact CD-OE1 3.48Å; R411-E444 IonicContact CZ-OE1 3.39Å; R411-E444 IonicContact CZ-OE2 2.77Å; R411-E444 IonicContact NE-OE1 3.28Å; R411-E444 PolarHBondContact NE-OE1 2.78Å; R411-E444 IonicContact NE-OE2 3.58Å; R411-E444 PolarHBondContact NE-OE2 3.39Å; R411-E444 IonicContact NH2-OE1 2.67Å; R411-E444 IonicContact NH2-OE2 3.12Å; R411-E444 PolarHBondContact NH2-OE2 3.06Å
412	K	94.3	Very high	96	Very high	144 Å²	144	41.3 Å²	41.3	63%	0.626	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-140.4	-45.6	-177.6	-71.5	-170	177.5	-173.2	0	112.4	S142 L409 A410	S142-K412 PolarHBondContact OG-O 3.38Å; L409-K412 HydrophobicContact CB-CB 3.95Å; L409-K412 PolarHBondContact O-N 2.82Å; A410-K412 PolarHBondContact O-N 2.9Å
413	R	95.1	Very high	96	Very high	53 Å²	53	37.3 Å²	37.3	20%	0.2	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-150.9	133.3	-169.8	-159.4	175.8	50.2	64.5	-3.2	114.3	S142 P407 S408 L409	S142-R413 CarbonylContact O-C 3.45Å; S142-R413 VanDerWaalsContact O-CA 3.3Å; S142-R413 WeakPolarHBondContact O-CA 3.23Å; P407-R413 PolarHBondContact O-NH1 2.81Å; P407-R413 PolarHBondContact O-NH2 2.98Å; S408-R413 WeakPolarHBondContact CA-O 3.31Å; L409-R413 HydrophobicContact CB-CB 3.99Å; L409-R413 HydrophobicContact CD1-CB 4.27Å; L409-R413 HydrophobicContact CG-CB 4.29Å; L409-R413 PolarHBondContact N-O 3.45Å; L409-R413 PolarHBondContact O-N 2.97Å
414	M	96.3	Very high	96	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.025	18%	0.183	C	C	.	.			trans	-61.2	133.3	164.6	-176.4	61.6	78.4	0	0	110.1	S142 E143 F145 A146 L371 P373	S142-M414 PolarHBondContact O-N 3.41Å; E143-M414 WeakPolarHBondContact O-CB 3.4Å; E143-M414 WeakPolarHBondContact O-CE 3.48Å; F145-M414 WeakPolarHBondContact O-CB 3.19Å; A146-M414 HydrophobicContact CB-CG 4.47Å; L371-M414 HydrophobicContact CB-CG 4.48Å; L371-M414 HydrophobicContact CB-SD 3.89Å; L371-M414 HydrophobicContact CD2-CG 3.93Å; L371-M414 HydrophobicContact CD2-SD 4.43Å; P373-M414 WeakPolarHBondContact CA-SD 3.32Å; P373-M414 HydrophobicContact CB-CE 4.45Å; P373-M414 HydrophobicContact CB-SD 4.43Å; P373-M414 HydrophobicContact CG-CE 4.31Å; P373-M414 HydrophobicContact CG-SD 4.32Å; P373-M414 VanDerWaalsContact N-SD 3.37Å
415	G	96.7	Very high	96	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	168.2	168.3	0	0	0	0	0	111.6	I372 K406	I372-G415 PolarHBondContact N-O 3.38Å; I372-G415 WeakPolarHBondContact O-CA 3.46Å; I372-G415 PolarHBondContact O-N 3.41Å; K406-G415 CarbonylContact O-C 3.49Å; K406-G415 WeakPolarHBondContact O-CA 3.39Å
416	S	96.9	Very high	96	Very high	11 Å²	11	35.9 Å²	35.9	8%	0.077	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	149.9	173.9	60.3	0	0	0	0	111.5	D370 K406	D370-S416 VanDerWaalsContact O-CA 3.25Å; D370-S416 WeakPolarHBondContact O-CA 3.2Å; K406-S416 PolarHBondContact N-O 3.26Å; K406-S416 PolarHBondContact O-N 3.32Å
417	I	97.2	Very high	96	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.1	163.5	-67.9	164.8	0	0	0	106.7	F369 D370 I372 F380 L403 V405 L419 Y433	F369-I417 WeakPolarHBondContact CA-O 3.24Å; D370-I417 PolarHBondContact N-O 3.31Å; D370-I417 PolarHBondContact O-N 3.08Å; I372-I417 HydrophobicContact CD1-CD1 3.72Å; I372-I417 HydrophobicContact CD1-CG1 3.64Å; F380-I417 HydrophobicContact CD1-CD1 4.31Å; F380-I417 HydrophobicContact CD1-CG1 4.38Å; F380-I417 HydrophobicContact CE1-CD1 3.82Å; F380-I417 HydrophobicContact CE1-CG1 3.69Å; L403-I417 HydrophobicContact CD1-CG2 4.3Å; V405-I417 HydrophobicContact CG2-CG1 4.43Å; I417-L419 HydrophobicContact CG2-CD1 4.15Å; I417-L419 HydrophobicContact CG2-CG 3.96Å; I417-Y433 HydrophobicContact CD1-CD1 3.85Å; I417-Y433 HydrophobicContact CD1-CE1 3.84Å; I417-Y433 HydrophobicContact CD1-CG 4.26Å
418	E	97.7	Very high	96.1	Very high	5 Å²	5	32 Å²	32	2%	0.023	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.7	172.3	-165.9	176.1	-152.8	0	0	109.1	T149 H150 S151 V367 Y368 F369 W402 L403 A404	T149-E418 PolarHBondContact N-OE1 2.8Å; T149-E418 PolarHBondContact N-OE2 2.83Å; H150-E418 WeakPolarHBondContact CA-OE1 3.4Å; H150-E418 PolarHBondContact N-OE1 3.4Å; S151-E418 WeakPolarHBondContact CB-OE1 3.04Å; S151-E418 PolarHBondContact N-OE1 2.69Å; S151-E418 PolarHBondContact OG-OE1 3.08Å; V367-E418 HydrophobicContact CG1-CG 4.25Å; Y368-E418 CarbonylContact O-C 3.59Å; Y368-E418 WeakPolarHBondContact O-CA 3.24Å; F369-E418 HydrophobicContact CB-CG 4.36Å; F369-E418 HydrophobicContact CD2-CB 3.98Å; F369-E418 HydrophobicContact CD2-CG 4.1Å; W402-E418 HydrophobicContact CH2-CB 4.44Å; W402-E418 HydrophobicContact CH2-CG 4.49Å; W402-E418 HydrophobicContact CZ3-CB 3.75Å; W402-E418 HydrophobicContact CZ3-CG 3.71Å; L403-E418 WeakPolarHBondContact CA-O 3.2Å; A404-E418 PolarHBondContact N-O 3.33Å; A404-E418 PolarHBondContact O-N 3.07Å
419	L	97.1	Very high	96.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.1	-174.6	-65.7	161.4	0	0	0	109	V367 Y368 I385 P400 W402 L403 I417 I431	V367-L419 CarbonylContact C-O 3.52Å; V367-L419 VanDerWaalsContact CA-O 3.24Å; V367-L419 WeakPolarHBondContact CA-O 3.22Å; Y368-L419 HydrophobicContact CD1-CD1 3.76Å; Y368-L419 HydrophobicContact CG-CD1 4.32Å; Y368-L419 PolarHBondContact N-O 3.06Å; Y368-L419 PolarHBondContact O-N 3.09Å; I385-L419 HydrophobicContact CD1-CD1 3.94Å; I385-L419 HydrophobicContact CD1-CD2 3.67Å; P400-L419 HydrophobicContact CB-CD2 3.85Å; P400-L419 HydrophobicContact CG-CD2 3.88Å; W402-L419 CarbonylContact O-C 3.51Å; W402-L419 WeakPolarHBondContact O-CA 3.33Å; L403-L419 HydrophobicContact CB-CD2 4.3Å; L403-L419 HydrophobicContact CD1-CD2 3.35Å; L403-L419 HydrophobicContact CD1-CG 4.24Å; L403-L419 HydrophobicContact CG-CD2 4.38Å; I417-L419 HydrophobicContact CG2-CD1 4.15Å; I417-L419 HydrophobicContact CG2-CG 3.96Å; L419-I431 HydrophobicContact CD1-CD1 3.79Å; L419-I431 HydrophobicContact CD1-CG1 4.27Å; L419-I431 HydrophobicContact CD1-CG2 4.11Å
420	V	97.9	Very high	96.4	Very high	17 Å²	17	27.8 Å²	27.8	10%	0.103	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.4	158.5	-175.7	0	0	0	0	107.1	E365 I366 V367 P400 R401 W402	E365-V420 HydrophobicContact CG-CG1 3.95Å; I366-V420 WeakPolarHBondContact O-CA 3.29Å; V367-V420 HydrophobicContact CG2-CG2 4.37Å; P400-V420 CarbonylContact C-O 3.59Å; R401-V420 PolarHBondContact N-O 3.35Å; W402-V420 HydrophobicContact CB-CB 3.93Å; W402-V420 HydrophobicContact CB-CG2 3.99Å; W402-V420 HydrophobicContact CE3-CG2 4.19Å; W402-V420 PolarHBondContact N-O 3.21Å; W402-V420 PolarHBondContact O-N 3.44Å
421	I	97.5	Very high	96.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	144.9	-169.7	-170.5	157.1	0	0	0	111.8	I366 I385 I398 P400 L429	I366-I421 PolarHBondContact N-O 2.78Å; I366-I421 PolarHBondContact O-N 3.41Å; I385-I421 HydrophobicContact CB-CD1 4.49Å; I385-I421 HydrophobicContact CD1-CD1 4.41Å; I385-I421 HydrophobicContact CG2-CD1 3.42Å; I385-I421 VanDerWaalsContact CG2-CD1 3.42Å; I398-I421 HydrophobicContact CB-CD1 4.31Å; I398-I421 HydrophobicContact CG2-CD1 3.66Å; I398-I421 HydrophobicContact CG2-CG1 3.76Å; P400-I421 HydrophobicContact CB-CB 4.26Å; P400-I421 HydrophobicContact CB-CD1 4.22Å; P400-I421 HydrophobicContact CB-CG1 4.48Å; I421-L429 HydrophobicContact CD1-CD1 4Å; I421-L429 HydrophobicContact CD1-CD2 3.97Å; I421-L429 HydrophobicContact CG1-CD2 4.14Å; I421-L429 HydrophobicContact CG2-CD2 3.69Å
422	T	97.2	Very high	96.8	Very high	40 Å²	40	24.5 Å²	24.5	25%	0.245	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	121.3	173	-52.8	0	0	0	0	109.8	N363 L364 P424	N363-T422 HydrophobicContact CB-CG2 3.92Å; L364-T422 CarbonylContact O-C 3.57Å; L364-T422 WeakPolarHBondContact O-CA 3.49Å; T422-P424 WeakPolarHBondContact O-CD 3.46Å
423	L	97.3	Very high	96.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	111.8	164.8	174.5	62.8	0	0	0	108.2	V336 L356 N363 L364 I366 L429	V336-L423 HydrophobicContact CG1-CD2 4.14Å; V336-L423 HydrophobicContact CG2-CD2 4.39Å; L356-L423 HydrophobicContact CB-CD1 4.46Å; L356-L423 HydrophobicContact CB-CD2 4.42Å; L356-L423 WeakPolarHBondContact O-CD1 3.27Å; N363-L423 WeakPolarHBondContact CA-O 3.35Å; L364-L423 HydrophobicContact CB-CB 4.38Å; L364-L423 PolarHBondContact N-O 2.9Å; L364-L423 PolarHBondContact O-N 2.81Å; I366-L423 HydrophobicContact CD1-CB 3.47Å; I366-L423 VanDerWaalsContact CD1-CB 3.47Å; I366-L423 HydrophobicContact CD1-CD2 3.35Å; I366-L423 HydrophobicContact CD1-CG 4.03Å; I366-L423 HydrophobicContact CG1-CB 3.97Å; L423-L429 HydrophobicContact CD1-CB 3.49Å; L423-L429 VanDerWaalsContact CD1-CB 3.49Å
424	P	96.8	Very high	97	Very high	24 Å²	24	18 Å²	18	16%	0.156	10%	0.104	C	C	.	.			trans	-67.2	154	-178.4	-18.1	31.7	0	0	0	112.6	S358 N363 I398 T422 L426 N427	S358-P424 WeakPolarHBondContact CB-O 3.34Å; N363-P424 WeakPolarHBondContact OD1-CA 3.3Å; I398-P424 HydrophobicContact CD1-CG 3.63Å; T422-P424 WeakPolarHBondContact O-CD 3.46Å; P424-L426 PolarHBondContact O-N 2.71Å; P424-N427 HydrophobicContact CB-CB 4.07Å; P424-N427 PolarHBondContact O-N 2.95Å
425	A	95.6	Very high	97	Very high	27 Å²	27	17.8 Å²	17.8	22%	0.223	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	136.3	174	0	0	0	0	0	111.6	A360 N361 F362 N363 N427	A360-A425 CarbonylContact O-C 3.56Å; A360-A425 WeakPolarHBondContact O-CA 3.5Å; N361-A425 VanDerWaalsContact C-CB 3.46Å; F362-A425 WeakPolarHBondContact O-CA 3.47Å; N363-A425 PolarHBondContact OD1-N 2.82Å; A425-N427 PolarHBondContact O-N 3.03Å; A425-N427 PolarHBondContact O-OD1 3.32Å
426	L	95.4	Very high	96.8	Very high	86 Å²	86	23.7 Å²	23.7	45%	0.45	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	15.3	175.1	-56.9	176.2	0	0	0	115.7	S358 A360 P390 P424	S358-L426 CarbonylContact O-C 3.51Å; S358-L426 WeakPolarHBondContact O-CA 3.45Å; A360-L426 WeakPolarHBondContact O-CD2 3.44Å; A360-L426 WeakPolarHBondContact O-CG 3.36Å; A360-L426 PolarHBondContact O-N 3.03Å; P390-L426 VanDerWaalsContact CD-O 3.28Å; P390-L426 WeakPolarHBondContact CD-O 3.47Å; P390-L426 WeakPolarHBondContact CG-O 3.47Å; P424-L426 PolarHBondContact O-N 2.71Å
427	N	96.6	Very high	96.7	Very high	30 Å²	30	24.4 Å²	24.4	16%	0.16	13%	0.127	C	C	.	.			trans	-112	165.2	-178.1	-77.5	4.3	0	0	0	111.6	S358 S387 P424 A425	S358-N427 WeakPolarHBondContact CB-O 3.39Å; S358-N427 PolarHBondContact N-O 2.97Å; S387-N427 WeakPolarHBondContact OG-CB 3.31Å; S387-N427 PolarHBondContact OG-ND2 3.49Å; S387-N427 VanDerWaalsContact OG-ND2 3.1Å; P424-N427 HydrophobicContact CB-CB 4.07Å; P424-N427 PolarHBondContact O-N 2.95Å; A425-N427 PolarHBondContact O-N 3.03Å; A425-N427 PolarHBondContact O-OD1 3.32Å
428	Q	97	Very high	96.5	Very high	44 Å²	44	25.3 Å²	25.3	21%	0.206	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126	171	-174	175.6	66.7	0	0	110.1	F355 L356 T357 S387 L388 I430	F355-Q428 HydrophobicContact CB-CG 4.4Å; F355-Q428 HydrophobicContact CD1-CG 4.34Å; L356-Q428 CarbonylContact O-C 3.57Å; L356-Q428 WeakPolarHBondContact O-CA 3.36Å; T357-Q428 PolarHBondContact OG1-NE2 3.35Å; S387-Q428 CarbonylContact C-O 2.84Å; S387-Q428 VanDerWaalsContact CA-O 3.27Å; S387-Q428 WeakPolarHBondContact CA-O 3.45Å; L388-Q428 PolarHBondContact N-O 3.01Å; L388-Q428 PolarHBondContact O-N 2.84Å; Q428-I430 HydrophobicContact CG-CG1 4.2Å
429	L	97.7	Very high	96.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.5	169.4	-174.8	74.2	0	0	0	109.5	F355 L356 I385 I398 I421 L423 I431	F355-L429 WeakPolarHBondContact CA-O 3.24Å; L356-L429 HydrophobicContact CB-CB 4.24Å; L356-L429 HydrophobicContact CD1-CD2 4.09Å; L356-L429 PolarHBondContact N-O 3.23Å; L356-L429 PolarHBondContact O-N 2.72Å; I385-L429 HydrophobicContact CG2-CD1 3.78Å; I385-L429 HydrophobicContact CG2-CG 4.3Å; I398-L429 HydrophobicContact CB-CD1 4.36Å; I398-L429 HydrophobicContact CD1-CD1 3.93Å; I421-L429 HydrophobicContact CD1-CD1 4Å; I421-L429 HydrophobicContact CD1-CD2 3.97Å; I421-L429 HydrophobicContact CG1-CD2 4.14Å; I421-L429 HydrophobicContact CG2-CD2 3.69Å; L423-L429 HydrophobicContact CD1-CB 3.49Å; L423-L429 VanDerWaalsContact CD1-CB 3.49Å; L429-I431 HydrophobicContact CD2-CD1 4.27Å; L429-I431 HydrophobicContact CD2-CG1 4.41Å; L429-I431 HydrophobicContact CG-CG1 4.45Å
430	I	97.9	Very high	95.9	Very high	4 Å²	4	32 Å²	32	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118	-179.1	-60.1	174.8	0	0	0	108.6	K353 A354 F355 I385 Y386 L388 Q428	K353-I430 HydrophobicContact CD-CG2 4.19Å; K353-I430 HydrophobicContact CG-CG2 3.79Å; A354-I430 WeakPolarHBondContact O-CA 3.5Å; F355-I430 HydrophobicContact CD1-CD1 3.92Å; F355-I430 HydrophobicContact CD1-CG1 3.68Å; F355-I430 HydrophobicContact CE1-CD1 3.82Å; F355-I430 HydrophobicContact CE1-CG1 4.02Å; F355-I430 HydrophobicContact CE1-CG2 4.44Å; I385-I430 WeakPolarHBondContact CA-O 3.34Å; Y386-I430 HydrophobicContact CD2-CB 4.06Å; Y386-I430 HydrophobicContact CD2-CD1 4.22Å; Y386-I430 HydrophobicContact CE1-CB 4.3Å; Y386-I430 HydrophobicContact CE1-CG2 4Å; Y386-I430 HydrophobicContact CE2-CB 3.71Å; Y386-I430 HydrophobicContact CE2-CD1 3.54Å; Y386-I430 HydrophobicContact CE2-CG1 4.14Å; Y386-I430 HydrophobicContact CE2-CG2 3.91Å; Y386-I430 PolarHBondContact N-O 3.09Å; Y386-I430 VanDerWaalsContact N-O 3.08Å; Y386-I430 PolarHBondContact O-N 2.94Å; Y386-I430 WeakPolarHBondContact OH-CG2 3.4Å; L388-I430 HydrophobicContact CB-CD1 4.16Å; L388-I430 HydrophobicContact CD2-CD1 4.21Å; Q428-I430 HydrophobicContact CG-CG1 4.2Å
431	I	97.8	Very high	95.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.7	176.3	-59.6	160	0	0	0	107	K353 A354 L356 Y368 L383 I385 L419 L429	K353-I431 CarbonylContact C-O 3.38Å; K353-I431 WeakPolarHBondContact CA-O 3.46Å; A354-I431 HydrophobicContact CB-CB 4.42Å; A354-I431 PolarHBondContact N-O 2.85Å; A354-I431 PolarHBondContact O-N 2.8Å; L356-I431 HydrophobicContact CD1-CD1 4.35Å; Y368-I431 HydrophobicContact CD1-CD1 3.97Å; Y368-I431 HydrophobicContact CD2-CD1 3.71Å; Y368-I431 HydrophobicContact CE1-CD1 4.31Å; Y368-I431 HydrophobicContact CE1-CG2 4.49Å; Y368-I431 HydrophobicContact CE2-CD1 4.08Å; Y368-I431 HydrophobicContact CG-CD1 3.65Å; L383-I431 HydrophobicContact CD1-CG2 4.06Å; I385-I431 HydrophobicContact CG1-CG1 4.33Å; I385-I431 HydrophobicContact CG1-CG2 4.32Å; I385-I431 HydrophobicContact CG2-CG1 4.04Å; L419-I431 HydrophobicContact CD1-CD1 3.79Å; L419-I431 HydrophobicContact CD1-CG1 4.27Å; L419-I431 HydrophobicContact CD1-CG2 4.11Å; L429-I431 HydrophobicContact CD2-CD1 4.27Å; L429-I431 HydrophobicContact CD2-CG1 4.41Å; L429-I431 HydrophobicContact CG-CG1 4.45Å
432	T	97.4	Very high	94.8	Very high	24 Å²	24	48.4 Å²	48.4	15%	0.147	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.8	-180	-170.5	0	0	0	0	112.4	V352 L383 K384 Y386	V352-T432 WeakPolarHBondContact O-CA 3.46Å; V352-T432 WeakPolarHBondContact O-CB 3.18Å; V352-T432 PolarHBondContact O-OG1 2.9Å; L383-T432 CarbonylContact C-O 3.53Å; L383-T432 WeakPolarHBondContact CA-O 3.25Å; K384-T432 HydrophobicContact CB-CG2 3.87Å; K384-T432 PolarHBondContact N-O 3.15Å; K384-T432 PolarHBondContact O-N 3.1Å; Y386-T432 HydrophobicContact CE1-CG2 4.14Å
433	Y	96.7	Very high	94.3	Very high	5 Å²	5	51.3 Å²	51.3	2%	0.02	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	152.7	176.8	57.2	-97	0	0	0	110.1	G351 V352 D370 V378 L383 I417 F435	G351-Y433 CarbonylContact C-O 3.57Å; G351-Y433 WeakPolarHBondContact CA-O 2.9Å; V352-Y433 HydrophobicContact CB-CD1 4.37Å; V352-Y433 HydrophobicContact CB-CD2 4.23Å; V352-Y433 HydrophobicContact CB-CE1 3.84Å; V352-Y433 HydrophobicContact CB-CE2 3.68Å; V352-Y433 VanDerWaalsContact CB-CZ 3.47Å; V352-Y433 HydrophobicContact CG1-CE1 3.97Å; V352-Y433 HydrophobicContact CG2-CE1 4.49Å; V352-Y433 HydrophobicContact CG2-CE2 3.65Å; V352-Y433 WeakPolarHBondContact CG2-OH 3.48Å; V352-Y433 PolarHBondContact N-O 2.93Å; V352-Y433 PolarHBondContact O-N 2.85Å; V352-Y433 VanDerWaalsContact O-N 3.08Å; D370-Y433 PolarHBondContact OD2-OH 2.89Å; V378-Y433 HydrophobicContact CB-CD2 4.32Å; V378-Y433 HydrophobicContact CG1-CD2 3.66Å; V378-Y433 HydrophobicContact CG1-CE2 4.41Å; V378-Y433 HydrophobicContact CG1-CG 4.11Å; V378-Y433 HydrophobicContact CG2-CD2 3.61Å; V378-Y433 HydrophobicContact CG2-CE2 3.58Å; L383-Y433 HydrophobicContact CD1-CD1 4.28Å; I417-Y433 HydrophobicContact CD1-CD1 3.85Å; I417-Y433 HydrophobicContact CD1-CE1 3.84Å; I417-Y433 HydrophobicContact CD1-CG 4.26Å; Y433-F435 HydrophobicContact CE2-CD1 4.46Å
434	V	96.4	Very high	94	Very high	55 Å²	55	53.5 Å²	53.5	33%	0.333	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	141.9	-179.6	-178.8	0	0	0	0	109.1	G350 F379 S382	G350-V434 WeakPolarHBondContact O-CA 3.36Å; G350-V434 VanDerWaalsContact O-CG1 3.25Å; G350-V434 WeakPolarHBondContact O-CG1 3.43Å; F379-V434 HydrophobicContact CD2-CG1 4.22Å; F379-V434 PolarHBondContact N-O 3.49Å; S382-V434 WeakPolarHBondContact OG-CB 3.43Å; S382-V434 PolarHBondContact OG-N 2.96Å; S382-V434 PolarHBondContact OG-O 2.83Å
435	F	95.6	Very high	93.6	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.009	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157.2	173.5	62.5	-101.3	0	0	0	111.8	G350 V352 T376 Q377 V378 Y433 K437 L455 V517	G350-F435 PolarHBondContact N-O 3.45Å; G350-F435 PolarHBondContact O-N 2.95Å; V352-F435 HydrophobicContact CG2-CD1 4.28Å; V352-F435 HydrophobicContact CG2-CE1 3.86Å; T376-F435 HydrophobicContact CG2-CD2 3.55Å; T376-F435 HydrophobicContact CG2-CE1 4.43Å; T376-F435 HydrophobicContact CG2-CE2 3.45Å; T376-F435 VanDerWaalsContact CG2-CE2 3.45Å; T376-F435 HydrophobicContact CG2-CG 4.12Å; T376-F435 HydrophobicContact CG2-CZ 3.93Å; Q377-F435 CarbonylContact O-C 3.57Å; Q377-F435 WeakPolarHBondContact O-CA 3.47Å; Q377-F435 WeakPolarHBondContact O-CB 3.44Å; V378-F435 HydrophobicContact CB-CB 4.48Å; V378-F435 HydrophobicContact CG2-CB 3.91Å; Y433-F435 HydrophobicContact CE2-CD1 4.46Å; F435-K437 HydrophobicContact CE2-CG 4.08Å; F435-L455 HydrophobicContact CE1-CD1 4.28Å; F435-L455 HydrophobicContact CZ-CD1 4.35Å; F435-V517 HydrophobicContact CE2-CG1 4.35Å; F435-V517 HydrophobicContact CE2-CG2 4.44Å; F435-V517 HydrophobicContact CZ-CG1 4.47Å; F435-V517 HydrophobicContact CZ-CG2 3.85Å
436	R	94.2	Very high	93.2	Very high	124 Å²	124	54.6 Å²	54.6	47%	0.468	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	142.7	164.6	66.8	177.1	-175.4	-175.5	0.3	110.7	V348 Q377 F379	V348-R436 WeakPolarHBondContact O-CA 3.45Å; Q377-R436 HydrophobicContact CB-CG 3.74Å; Q377-R436 PolarHBondContact N-O 3.5Å; Q377-R436 PolarHBondContact O-N 2.7Å; F379-R436 HydrophobicContact CE2-CB 3.94Å; F379-R436 HydrophobicContact CE2-CG 4.37Å; F379-R436 HydrophobicContact CZ-CB 3.95Å; F379-R436 HydrophobicContact CZ-CG 4.05Å
437	K	93.7	Very high	92.7	Very high	25 Å²	25	57.7 Å²	57.7	11%	0.109	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	126.9	173.7	-62	176.6	-172.2	-178	0	108.4	G346 S347 V348 F435 V517 T518 M519	G346-K437 PolarHBondContact O-NZ 3.22Å; S347-K437 WeakPolarHBondContact O-CD 3.47Å; V348-K437 PolarHBondContact O-N 3.28Å; F435-K437 HydrophobicContact CE2-CG 4.08Å; K437-V517 HydrophobicContact CD-CG1 4.1Å; K437-V517 HydrophobicContact CG-CG1 4.28Å; K437-T518 WeakPolarHBondContact CD-O 3.16Å; K437-T518 WeakPolarHBondContact CE-O 2.97Å; K437-T518 PolarHBondContact NZ-O 3.35Å; K437-M519 HydrophobicContact CB-SD 3.77Å; K437-M519 HydrophobicContact CD-SD 4.08Å; K437-M519 HydrophobicContact CG-SD 4Å
438	V	92.7	Very high	92.3	Very high	19 Å²	19	60.7 Å²	60.7	12%	0.115	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-81.5	130.2	174	-179.2	0	0	0	0	108.1	Y375 Q377 A410 Q440	Y375-V438 PolarHBondContact O-N 3.02Å; Q377-V438 HydrophobicContact CG-CG2 3.85Å; A410-V438 HydrophobicContact CB-CG1 4.23Å; A410-V438 HydrophobicContact CB-CG2 4.44Å; V438-Q440 PolarHBondContact O-N 3.06Å; V438-Q440 PolarHBondContact O-NE2 3.27Å
439	L	90.7	Very high	91.7	Very high	124 Å²	124	59 Å²	59	65%	0.649	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-62.5	128.4	174.6	-67	175.7	0	0	0	110.2	R411 P520	R411-L439 PolarHBondContact NH2-O 3.13Å; L439-P520 HydrophobicContact CD2-CB 4.42Å; L439-P520 HydrophobicContact CD2-CG 3.45Å; L439-P520 VanDerWaalsContact CD2-CG 3.45Å
440	Q	91.3	Very high	91.2	Very high	22 Å²	22	64.9 Å²	64.9	10%	0.103	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-81.2	145.4	178	-55.2	-55.8	-53.6	0	0	109.9	W374 Y375 V438 E444 F445 F453	W374-Q440 VanDerWaalsContact CH2-OE1 3.26Å; Y375-Q440 VanDerWaalsContact CB-NE2 3.31Å; V438-Q440 PolarHBondContact O-N 3.06Å; V438-Q440 PolarHBondContact O-NE2 3.27Å; Q440-E444 WeakPolarHBondContact CA-OE2 3.42Å; Q440-E444 HydrophobicContact CB-CB 4.14Å; Q440-F445 HydrophobicContact CB-CD1 4.46Å; Q440-F445 HydrophobicContact CB-CD2 4.14Å; Q440-F445 HydrophobicContact CB-CE1 4.01Å; Q440-F445 HydrophobicContact CB-CE2 3.65Å; Q440-F445 HydrophobicContact CB-CZ 3.58Å; Q440-F445 HydrophobicContact CG-CE1 4.16Å; Q440-F445 HydrophobicContact CG-CZ 4.19Å; Q440-F453 HydrophobicContact CG-CE1 4.49Å; Q440-F453 HydrophobicContact CG-CE2 4.24Å; Q440-F453 HydrophobicContact CG-CZ 3.81Å
441	R	90.4	Very high	90.8	Very high	143 Å²	143	69.1 Å²	69.1	54%	0.54	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-76.1	162.4	167.4	-59.1	177.1	-176.4	168.4	-5.3	109.4	N443 E444 F445	R441-N443 WeakPolarHBondContact CB-OD1 3.41Å; R441-N443 PolarHBondContact O-N 2.59Å; R441-N443 VanDerWaalsContact O-N 3.08Å; R441-E444 HydrophobicContact CB-CB 4.48Å; R441-E444 HydrophobicContact CB-CG 3.92Å; R441-E444 WeakPolarHBondContact CD-OE1 3.27Å; R441-E444 HydrophobicContact CG-CG 4.5Å; R441-E444 WeakPolarHBondContact CG-OE1 3.44Å; R441-E444 PolarHBondContact N-OE2 2.03Å; R441-E444 IonicContact NE-OE1 3.95Å; R441-E444 WeakPolarHBondContact O-CB 3.47Å; R441-E444 PolarHBondContact O-N 2.88Å; R441-F445 WeakPolarHBondContact O-CD2 3.26Å
442	W	82.7	Confident	90.5	Very high	219 Å²	219	69.4 Å²	69.4	83%	0.83	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.8	-176.5	70.8	-92.8	0	0	0	113.7
443	N	86.3	Confident	90.2	Very high	101 Å²	101	69.3 Å²	69.3	54%	0.54	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	2.7	-179.7	67.3	-42.8	0	0	0	114.3	R441	R441-N443 WeakPolarHBondContact CB-OD1 3.41Å; R441-N443 PolarHBondContact O-N 2.59Å; R441-N443 VanDerWaalsContact O-N 3.08Å
444	E	90.2	Very high	90.1	Very high	45 Å²	45	72.1 Å²	72.1	21%	0.21	35%	0.353	C	S	.	.	S	Bend	trans	-95.9	-8.1	-178.9	-70.1	171.3	178.4	0	0	112.5	R411 Q440 R441	R411-E444 WeakPolarHBondContact CD-OE1 3.48Å; R411-E444 IonicContact CZ-OE1 3.39Å; R411-E444 IonicContact CZ-OE2 2.77Å; R411-E444 IonicContact NE-OE1 3.28Å; R411-E444 PolarHBondContact NE-OE1 2.78Å; R411-E444 IonicContact NE-OE2 3.58Å; R411-E444 PolarHBondContact NE-OE2 3.39Å; R411-E444 IonicContact NH2-OE1 2.67Å; R411-E444 IonicContact NH2-OE2 3.12Å; R411-E444 PolarHBondContact NH2-OE2 3.06Å; Q440-E444 WeakPolarHBondContact CA-OE2 3.42Å; Q440-E444 HydrophobicContact CB-CB 4.14Å; R441-E444 HydrophobicContact CB-CB 4.48Å; R441-E444 HydrophobicContact CB-CG 3.92Å; R441-E444 WeakPolarHBondContact CD-OE1 3.27Å; R441-E444 HydrophobicContact CG-CG 4.5Å; R441-E444 WeakPolarHBondContact CG-OE1 3.44Å; R441-E444 PolarHBondContact N-OE2 2.03Å; R441-E444 IonicContact NE-OE1 3.95Å; R441-E444 WeakPolarHBondContact O-CB 3.47Å; R441-E444 PolarHBondContact O-N 2.88Å
445	F	89.5	Confident	90.1	Very high	28 Å²	28	69.7 Å²	69.7	12%	0.123	34%	0.338	C	S	.	.	S	Bend	trans	-75.6	140.7	177.4	-71.6	-83.5	0	0	0	111.6	Q440 R441 A449 F453 P520 T521 P522 F524	Q440-F445 HydrophobicContact CB-CD1 4.46Å; Q440-F445 HydrophobicContact CB-CD2 4.14Å; Q440-F445 HydrophobicContact CB-CE1 4.01Å; Q440-F445 HydrophobicContact CB-CE2 3.65Å; Q440-F445 HydrophobicContact CB-CZ 3.58Å; Q440-F445 HydrophobicContact CG-CE1 4.16Å; Q440-F445 HydrophobicContact CG-CZ 4.19Å; R441-F445 WeakPolarHBondContact O-CD2 3.26Å; F445-A449 HydrophobicContact CB-CB 4.01Å; F445-A449 HydrophobicContact CD1-CB 3.72Å; F445-A449 HydrophobicContact CG-CB 4.16Å; F445-F453 HydrophobicContact CD1-CE2 4.05Å; F445-F453 HydrophobicContact CD1-CZ 4.19Å; F445-F453 HydrophobicContact CE1-CE2 4.38Å; F445-P520 WeakPolarHBondContact CZ-O 3.25Å; F445-T521 HydrophobicContact CD1-CG2 4.4Å; F445-T521 HydrophobicContact CE1-CG2 3.99Å; F445-P522 VanDerWaalsContact CE2-CD 3.5Å; F445-P522 HydrophobicContact CE2-CG 4Å; F445-P522 HydrophobicContact CZ-CG 4.37Å; F445-F524 HydrophobicContact CB-CZ 4Å; F445-F524 HydrophobicContact CD1-CZ 4.19Å; F445-F524 HydrophobicContact CD2-CE1 4.26Å; F445-F524 AromaticContact CD2-CZ 3.8Å; F445-F524 HydrophobicContact CD2-CZ 3.8Å; F445-F524 HydrophobicContact CE2-CZ 4.3Å; F445-F524 HydrophobicContact CG-CE1 4.48Å; F445-F524 AromaticContact CG-CZ 3.73Å; F445-F524 HydrophobicContact CG-CZ 3.73Å
446	P	87.9	Confident	90.1	Very high	47 Å²	47	69.8 Å²	69.8	31%	0.305	34%	0.339	S	S	.	.			trans	-65.4	161.1	167.2	30.2	-34.3	0	0	0	110.3	D448 A449 F453	P446-D448 PolarHBondContact O-N 2.83Å; P446-D448 VanDerWaalsContact O-N 3.09Å; P446-A449 PolarHBondContact O-N 2.95Å; P446-F453 VanDerWaalsContact CD-CZ 3.44Å; P446-F453 HydrophobicContact CG-CZ 4.42Å
447	P	84.6	Confident	90.2	Very high	151 Å²	151	64 Å²	64	98%	0.981	32%	0.317	S	S	*	.	S	Bend	trans	-52.7	-32.4	178.4	-28.1	35.3	0	0	0	114.2
448	D	86.8	Confident	90.4	Very high	92 Å²	92	62.8 Å²	62.8	49%	0.492	31%	0.312	S	S	.	.	S	Bend	trans	-109.1	80.5	169.8	-173.4	-2.4	0	0	0	110.4	P446 N450 H451	P446-D448 PolarHBondContact O-N 2.83Å; P446-D448 VanDerWaalsContact O-N 3.09Å; D448-N450 PolarHBondContact O-N 2.67Å; D448-N450 PolarHBondContact OD1-N 3.43Å; D448-H451 HydrophobicContact CB-CB 4.29Å; D448-H451 PolarHBondContact O-N 2.89Å; D448-H451 PolarHBondContact OD1-N 2.91Å
449	A	85.8	Confident	90.6	Very high	8 Å²	8	61.9 Å²	61.9	7%	0.066	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-26.1	-179.2	0	0	0	0	0	113.3	F445 P446 G452 T521 F524	F445-A449 HydrophobicContact CB-CB 4.01Å; F445-A449 HydrophobicContact CD1-CB 3.72Å; F445-A449 HydrophobicContact CG-CB 4.16Å; P446-A449 PolarHBondContact O-N 2.95Å; A449-G452 PolarHBondContact O-N 3.3Å; A449-T521 HydrophobicContact CB-CG2 3.81Å; A449-F524 HydrophobicContact CB-CE2 3.49Å; A449-F524 VanDerWaalsContact CB-CE2 3.49Å; A449-F524 HydrophobicContact CB-CZ 3.81Å
450	N	87.6	Confident	90.9	Very high	125 Å²	125	56 Å²	56	67%	0.668	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-26.4	-177.1	-71.8	-32.1	0	0	0	112.3	D448 G452	D448-N450 PolarHBondContact O-N 2.67Å; D448-N450 PolarHBondContact OD1-N 3.43Å; N450-G452 PolarHBondContact O-N 3.1Å
451	H	89.3	Confident	91.1	Very high	92 Å²	92	55.1 Å²	55.1	43%	0.426	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.2	170.6	-177.6	-157.3	0	0	0	112.5	D448 F454	D448-H451 HydrophobicContact CB-CB 4.29Å; D448-H451 PolarHBondContact O-N 2.89Å; D448-H451 PolarHBondContact OD1-N 2.91Å; H451-F454 AromaticContact CE1-CZ 3.49Å; H451-F454 VanDerWaalsContact CE1-CZ 3.49Å; H451-F454 WeakPolarHBondContact CE1-CZ 3.31Å
452	G	90.8	Very high	91.3	Very high	6 Å²	6	48.8 Å²	48.8	6%	0.062	25%	0.248	C	C	.	.			trans	97.2	-167.6	178.9	0	0	0	0	0	113.8	A449 N450	A449-G452 PolarHBondContact O-N 3.3Å; N450-G452 PolarHBondContact O-N 3.1Å
453	F	92.1	Very high	91.7	Very high	23 Å²	23	42.4 Å²	42.4	10%	0.101	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.8	-175	-73.8	-109	0	0	0	110.7	Y375 Q440 F445 P446 V517 M519	Y375-F453 HydrophobicContact CD1-CD1 4.19Å; Y375-F453 AromaticContact CE1-CD1 4Å; Y375-F453 HydrophobicContact CE1-CD1 4Å; Y375-F453 HydrophobicContact CE2-CB 3.96Å; Q440-F453 HydrophobicContact CG-CE1 4.49Å; Q440-F453 HydrophobicContact CG-CE2 4.24Å; Q440-F453 HydrophobicContact CG-CZ 3.81Å; F445-F453 HydrophobicContact CD1-CE2 4.05Å; F445-F453 HydrophobicContact CD1-CZ 4.19Å; F445-F453 HydrophobicContact CE1-CE2 4.38Å; P446-F453 VanDerWaalsContact CD-CZ 3.44Å; P446-F453 HydrophobicContact CG-CZ 4.42Å; F453-V517 PolarHBondContact N-O 3.01Å; F453-V517 PolarHBondContact O-N 3.05Å; F453-M519 HydrophobicContact CB-CE 4.4Å; F453-M519 HydrophobicContact CB-CG 4.45Å; F453-M519 HydrophobicContact CD2-CB 3.9Å; F453-M519 HydrophobicContact CD2-CG 3.26Å; F453-M519 HydrophobicContact CE2-CB 3.86Å; F453-M519 HydrophobicContact CE2-CG 3.59Å; F453-M519 HydrophobicContact CG-CE 4.46Å; F453-M519 HydrophobicContact CG-CG 3.97Å; F453-M519 HydrophobicContact CZ-CG 4.5Å
454	F	93.9	Very high	91.9	Very high	63 Å²	63	38 Å²	38	28%	0.276	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.8	-179.5	-67.8	-73	0	0	0	113.1	P173 Y375 H451 V514 S515 L516	P173-F454 HydrophobicContact CB-CB 3.77Å; P173-F454 HydrophobicContact CB-CD1 4.35Å; P173-F454 HydrophobicContact CB-CG 4.03Å; P173-F454 HydrophobicContact CG-CB 4.05Å; Y375-F454 PolarHBondContact OH-O 3.46Å; H451-F454 AromaticContact CE1-CZ 3.49Å; H451-F454 VanDerWaalsContact CE1-CZ 3.49Å; H451-F454 WeakPolarHBondContact CE1-CZ 3.31Å; F454-V514 HydrophobicContact CB-CG1 4Å; F454-V514 HydrophobicContact CD1-CG1 3.61Å; F454-V514 HydrophobicContact CE1-CG1 4.48Å; F454-V514 HydrophobicContact CG-CG1 4.21Å; F454-S515 CarbonylContact C-O 3.46Å; F454-S515 WeakPolarHBondContact CA-O 3.47Å; F454-L516 HydrophobicContact CD1-CD2 3.43Å; F454-L516 VanDerWaalsContact CD1-CD2 3.43Å; F454-L516 HydrophobicContact CD1-CG 4.02Å; F454-L516 HydrophobicContact CE1-CD1 4.46Å; F454-L516 HydrophobicContact CE1-CD2 3.46Å; F454-L516 VanDerWaalsContact CE1-CD2 3.46Å; F454-L516 HydrophobicContact CE1-CG 3.99Å; F454-L516 HydrophobicContact CG-CD2 4.03Å; F454-L516 HydrophobicContact CZ-CD2 4.06Å
455	L	95.1	Very high	91.9	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	124.8	160.3	-62.9	-177.3	0	0	0	109.7	I342 V352 P373 Y375 T376 F435 V514 S515 V517	I342-L455 HydrophobicContact CD1-CD1 3.95Å; I342-L455 HydrophobicContact CG1-CD1 3.84Å; V352-L455 HydrophobicContact CG2-CD1 4.11Å; P373-L455 HydrophobicContact CG-CD2 4.04Å; Y375-L455 HydrophobicContact CE2-CD2 4.07Å; T376-L455 HydrophobicContact CG2-CD2 3.78Å; F435-L455 HydrophobicContact CE1-CD1 4.28Å; F435-L455 HydrophobicContact CZ-CD1 4.35Å; L455-V514 WeakPolarHBondContact O-CG1 3.36Å; L455-S515 PolarHBondContact N-O 3.41Å; L455-S515 PolarHBondContact O-N 2.73Å; L455-V517 HydrophobicContact CD1-CG2 3.43Å; L455-V517 VanDerWaalsContact CD1-CG2 3.43Å; L455-V517 HydrophobicContact CD2-CG2 3.98Å; L455-V517 HydrophobicContact CG-CG2 3.51Å
456	P	96.5	Very high	91.8	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.026	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-51.3	157.9	175.8	-27.5	35.6	0	0	0	113	Q171 P173 K340 L371 P373	Q171-P456 HydrophobicContact CB-CB 4.15Å; P173-P456 HydrophobicContact CG-CB 4.41Å; P173-P456 HydrophobicContact CG-CG 4.46Å; K340-P456 WeakPolarHBondContact CE-O 3.36Å; K340-P456 PolarHBondContact NZ-O 3.14Å; L371-P456 HydrophobicContact CB-CB 3.95Å; L371-P456 HydrophobicContact CB-CG 3.92Å; L371-P456 HydrophobicContact CD1-CB 4.13Å; L371-P456 HydrophobicContact CD1-CG 4.24Å; P373-P456 VanDerWaalsContact CG-CD 3.48Å; P373-P456 HydrophobicContact CG-CG 4.15Å
457	A	97.1	Very high	91.8	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.008	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-65.5	140.4	170.1	0	0	0	0	0	110.9	P101 Q171 H511 T512 V514	P101-A457 HydrophobicContact CB-CB 3.55Å; P101-A457 HydrophobicContact CG-CB 4.34Å; Q171-A457 PolarHBondContact NE2-O 3.43Å; A457-H511 HydrophobicContact CB-CB 4.22Å; A457-T512 WeakPolarHBondContact CB-O 3.05Å; A457-V514 HydrophobicContact CB-CG2 4.32Å
458	A	97.5	Very high	92.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-75.2	143.7	160.4	0	0	0	0	0	110.6	K340 Y368 F369 D370 H511 T512	K340-A458 HydrophobicContact CD-CB 4.15Å; Y368-A458 HydrophobicContact CD2-CB 4.47Å; Y368-A458 HydrophobicContact CE1-CB 4.48Å; Y368-A458 HydrophobicContact CE2-CB 3.6Å; Y368-A458 WeakPolarHBondContact OH-CB 3.46Å; F369-A458 CarbonylContact O-C 3.6Å; F369-A458 VanDerWaalsContact O-CA 3.25Å; F369-A458 WeakPolarHBondContact O-CA 3.5Å; D370-A458 HydrophobicContact CB-CB 3.98Å; A458-H511 WeakPolarHBondContact O-CA 3.22Å; A458-T512 WeakPolarHBondContact CA-OG1 3.21Å; A458-T512 HydrophobicContact CB-CG2 4.06Å; A458-T512 WeakPolarHBondContact CB-OG1 3.37Å; A458-T512 PolarHBondContact N-OG1 2.75Å; A458-T512 PolarHBondContact O-N 2.87Å; A458-T512 PolarHBondContact O-OG1 3.1Å
459	T	97	Very high	92.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	136.5	175.7	-53.2	0	0	0	0	109.7	Y152 Y368 F369 R509 L510	Y152-T459 HydrophobicContact CE2-CG2 4.06Å; Y152-T459 WeakPolarHBondContact OH-CG2 3.28Å; Y152-T459 PolarHBondContact OH-OG1 3.5Å; Y368-T459 WeakPolarHBondContact CA-O 2.96Å; F369-T459 PolarHBondContact N-O 2.83Å; F369-T459 PolarHBondContact O-N 3.42Å; T459-R509 HydrophobicContact CG2-CG 3.56Å; T459-L510 WeakPolarHBondContact CA-O 3.45Å
460	V	96.7	Very high	92.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	115.9	178.6	-176.6	0	0	0	0	107.3	A338 L356 I366 V367 Y368 R509 L510	A338-V460 HydrophobicContact CB-CB 4.38Å; A338-V460 HydrophobicContact CB-CG2 3.82Å; L356-V460 HydrophobicContact CD1-CG1 4.17Å; L356-V460 HydrophobicContact CD1-CG2 4.42Å; L356-V460 HydrophobicContact CD2-CG1 4.28Å; L356-V460 HydrophobicContact CD2-CG2 3.6Å; I366-V460 HydrophobicContact CD1-CG1 4.46Å; I366-V460 HydrophobicContact CG2-CG1 3.4Å; V367-V460 WeakPolarHBondContact O-CA 3.14Å; Y368-V460 HydrophobicContact CD2-CG2 4.05Å; V460-R509 CarbonylContact O-C 3.54Å; V460-R509 WeakPolarHBondContact O-CA 3.5Å; V460-L510 HydrophobicContact CB-CB 4.35Å; V460-L510 PolarHBondContact N-O 3.03Å; V460-L510 PolarHBondContact O-N 3.31Å
461	S	95.3	Very high	92.4	Very high	4 Å²	4	39 Å²	39	3%	0.028	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	140.3	-179.6	-54.7	0	0	0	0	110.9	I366 V367 V508 R509	I366-S461 WeakPolarHBondContact CA-O 3.28Å; V367-S461 PolarHBondContact N-O 3.08Å; V367-S461 PolarHBondContact O-N 2.85Å; S461-V508 CarbonylContact C-O 3.56Å; S461-V508 VanDerWaalsContact CA-O 3.27Å; S461-V508 WeakPolarHBondContact CA-O 3.29Å; S461-R509 PolarHBondContact OG-NE 3.3Å
462	Y	94.4	Very high	92.3	Very high	11 Å²	11	35.5 Å²	35.5	4%	0.043	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	160.9	174.5	61.8	-90.3	0	0	0	110.5	V336 L364 E365 L464 F507 V508 L510	V336-Y462 HydrophobicContact CB-CE1 3.79Å; V336-Y462 HydrophobicContact CG1-CE1 4.24Å; V336-Y462 HydrophobicContact CG2-CD1 4.4Å; V336-Y462 HydrophobicContact CG2-CE1 3.75Å; V336-Y462 HydrophobicContact CG2-CE2 4.44Å; L364-Y462 HydrophobicContact CD2-CD2 4.24Å; E365-Y462 WeakPolarHBondContact O-CB 3.31Å; Y462-L464 HydrophobicContact CD2-CD2 4.17Å; Y462-L464 HydrophobicContact CD2-CG 4.27Å; Y462-L464 HydrophobicContact CE2-CD1 4.46Å; Y462-L464 HydrophobicContact CE2-CD2 4Å; Y462-L464 HydrophobicContact CE2-CG 4.03Å; Y462-F507 WeakPolarHBondContact O-CA 3.43Å; Y462-V508 HydrophobicContact CD1-CB 4.34Å; Y462-V508 HydrophobicContact CD2-CB 4.3Å; Y462-V508 HydrophobicContact CE1-CB 3.84Å; Y462-V508 HydrophobicContact CE1-CG1 3.84Å; Y462-V508 HydrophobicContact CE2-CB 3.79Å; Y462-V508 HydrophobicContact CE2-CG1 4.44Å; Y462-V508 HydrophobicContact CE2-CG2 3.85Å; Y462-V508 PolarHBondContact N-O 3.19Å; Y462-V508 PolarHBondContact O-N 3.02Å; Y462-L510 HydrophobicContact CE1-CD1 4.12Å
463	V	91.8	Very high	92	Very high	85 Å²	85	38.1 Å²	38.1	52%	0.515	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.5	176.5	-179.8	0	0	0	0	108.2	G506 F507	V463-G506 WeakPolarHBondContact CA-O 3.45Å; V463-F507 HydrophobicContact CG2-CB 4.36Å; V463-F507 HydrophobicContact CG2-CD2 3.81Å
464	L	90.8	Very high	91.8	Very high	9 Å²	9	45.5 Å²	45.5	5%	0.047	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	131.7	168.4	-59.7	173.2	0	0	0	109	F362 L364 Y462 Q468 I469 L472 G506	F362-L464 HydrophobicContact CE2-CD2 4.01Å; F362-L464 HydrophobicContact CZ-CD2 4.22Å; L364-L464 HydrophobicContact CD2-CD2 3.64Å; Y462-L464 HydrophobicContact CD2-CD2 4.17Å; Y462-L464 HydrophobicContact CD2-CG 4.27Å; Y462-L464 HydrophobicContact CE2-CD1 4.46Å; Y462-L464 HydrophobicContact CE2-CD2 4Å; Y462-L464 HydrophobicContact CE2-CG 4.03Å; L464-Q468 HydrophobicContact CB-CB 4.42Å; L464-Q468 HydrophobicContact CD2-CB 4.47Å; L464-I469 HydrophobicContact CB-CD1 4.15Å; L464-I469 HydrophobicContact CB-CG1 3.62Å; L464-I469 HydrophobicContact CD1-CG1 4.38Å; L464-L472 HydrophobicContact CD1-CD1 3.75Å; L464-G506 PolarHBondContact N-O 3.4Å
465	N	89.4	Confident	91.4	Very high	73 Å²	73	46 Å²	46	39%	0.39	24%	0.235	S	C	.	.			trans	-77.1	165.1	172.5	68	22.2	0	0	0	110.8	E467 Q468 I469	N465-E467 VanDerWaalsContact C-N 3.26Å; N465-E467 PolarHBondContact O-N 3.26Å; N465-E467 PolarHBondContact OD1-N 3.41Å; N465-Q468 PolarHBondContact O-N 3.23Å; N465-Q468 VanDerWaalsContact O-N 3.12Å; N465-Q468 WeakPolarHBondContact OD1-CB 3.41Å; N465-Q468 VanDerWaalsContact OD1-CD 3.31Å; N465-Q468 WeakPolarHBondContact OD1-CG 3.3Å; N465-Q468 PolarHBondContact OD1-N 2.91Å; N465-Q468 PolarHBondContact OD1-OE1 3.35Å; N465-I469 WeakPolarHBondContact O-CG1 3.41Å; N465-I469 PolarHBondContact O-N 3.4Å
466	S	87.4	Confident	91	Very high	69 Å²	69	48.9 Å²	48.9	48%	0.483	25%	0.247	S	C	.	.	H	α-helix	trans	-56.9	-38.9	-177	-48.8	0	0	0	0	112.8	Q468 I469 D470	S466-Q468 PolarHBondContact O-N 2.76Å; S466-I469 PolarHBondContact O-N 3.18Å; S466-D470 WeakPolarHBondContact O-CB 3.45Å; S466-D470 VanDerWaalsContact O-CG 3.28Å; S466-D470 PolarHBondContact O-N 3.15Å
467	E	88.9	Confident	90.4	Very high	156 Å²	156	52.6 Å²	52.6	73%	0.729	26%	0.264	S	S	*	.	H	α-helix	trans	-63.1	-42.5	178.1	-63.7	179.9	179.1	0	0	112.4	N465 Y471	N465-E467 VanDerWaalsContact C-N 3.26Å; N465-E467 PolarHBondContact O-N 3.26Å; N465-E467 PolarHBondContact OD1-N 3.41Å; E467-Y471 VanDerWaalsContact O-CB 3.27Å; E467-Y471 WeakPolarHBondContact O-CB 3.44Å; E467-Y471 PolarHBondContact O-N 3.43Å
468	Q	90.5	Very high	89.9	Confident	31 Å²	31	53.3 Å²	53.3	15%	0.145	27%	0.27	C	S	.	.	H	α-helix	trans	-66.4	-41.1	177	-74.2	164.9	-13.4	0	0	111.1	F362 L464 N465 S466 Y471 L472	F362-Q468 HydrophobicContact CD1-CG 4.33Å; F362-Q468 HydrophobicContact CD2-CG 3.83Å; F362-Q468 HydrophobicContact CE1-CB 4.37Å; F362-Q468 HydrophobicContact CE1-CG 4.18Å; F362-Q468 HydrophobicContact CE2-CB 4.08Å; F362-Q468 VanDerWaalsContact CE2-CD 3.48Å; F362-Q468 HydrophobicContact CE2-CG 3.62Å; F362-Q468 HydrophobicContact CG-CG 4.17Å; F362-Q468 HydrophobicContact CZ-CB 3.89Å; F362-Q468 HydrophobicContact CZ-CG 3.82Å; L464-Q468 HydrophobicContact CB-CB 4.42Å; L464-Q468 HydrophobicContact CD2-CB 4.47Å; N465-Q468 PolarHBondContact O-N 3.23Å; N465-Q468 VanDerWaalsContact O-N 3.12Å; N465-Q468 WeakPolarHBondContact OD1-CB 3.41Å; N465-Q468 VanDerWaalsContact OD1-CD 3.31Å; N465-Q468 WeakPolarHBondContact OD1-CG 3.3Å; N465-Q468 PolarHBondContact OD1-N 2.91Å; N465-Q468 PolarHBondContact OD1-OE1 3.35Å; S466-Q468 PolarHBondContact O-N 2.76Å; Q468-Y471 PolarHBondContact O-N 3.18Å; Q468-L472 WeakPolarHBondContact O-CB 2.99Å; Q468-L472 WeakPolarHBondContact O-CG 3.13Å; Q468-L472 PolarHBondContact O-N 2.54Å
469	I	87.7	Confident	89.3	Confident	23 Å²	23	53.4 Å²	53.4	12%	0.118	27%	0.271	C	S	.	.	H	α-helix	trans	-66.2	-46.7	177.8	-60.1	165.9	0	0	0	110	L464 N465 S466 Y471 L472 N473 Q504	L464-I469 HydrophobicContact CB-CD1 4.15Å; L464-I469 HydrophobicContact CB-CG1 3.62Å; L464-I469 HydrophobicContact CD1-CG1 4.38Å; N465-I469 WeakPolarHBondContact O-CG1 3.41Å; N465-I469 PolarHBondContact O-N 3.4Å; S466-I469 PolarHBondContact O-N 3.18Å; I469-Y471 VanDerWaalsContact C-N 3.28Å; I469-Y471 PolarHBondContact O-N 3.4Å; I469-L472 PolarHBondContact O-N 3.47Å; I469-L472 VanDerWaalsContact O-N 3.14Å; I469-N473 WeakPolarHBondContact O-CB 3.24Å; I469-N473 PolarHBondContact O-N 2.83Å; I469-N473 PolarHBondContact O-OD1 3.08Å; I469-Q504 HydrophobicContact CD1-CB 3.64Å; I469-Q504 VanDerWaalsContact CD1-OE1 3.27Å
470	D	88.1	Confident	88.6	Confident	66 Å²	66	54.3 Å²	54.3	35%	0.353	28%	0.275	S	S	.	.	H	α-helix	trans	-61.1	-38.9	177.2	-73.1	-12.3	0	0	0	111.8	S466 N473 K474 Q504	S466-D470 WeakPolarHBondContact O-CB 3.45Å; S466-D470 VanDerWaalsContact O-CG 3.28Å; S466-D470 PolarHBondContact O-N 3.15Å; D470-N473 PolarHBondContact O-N 2.89Å; D470-K474 WeakPolarHBondContact O-CG 3.35Å; D470-K474 PolarHBondContact O-N 2.85Å; D470-K474 VanDerWaalsContact O-N 3.08Å; D470-Q504 PolarHBondContact OD1-NE2 2.65Å
471	Y	89.2	Confident	88	Confident	99 Å²	99	55.6 Å²	55.6	39%	0.388	28%	0.281	S	S	.	.	H	α-helix	trans	-62	-47.3	173.2	174.1	-98.2	0	0	0	112	N361 F362 E467 Q468 I469 N473 K474 T475	N361-Y471 VanDerWaalsContact ND2-CZ 3.33Å; N361-Y471 PolarHBondContact ND2-OH 2.88Å; N361-Y471 VanDerWaalsContact OD1-CE1 3.29Å; N361-Y471 WeakPolarHBondContact OD1-CE1 3.45Å; F362-Y471 HydrophobicContact CE1-CD1 4.12Å; F362-Y471 HydrophobicContact CE1-CE1 4.48Å; E467-Y471 VanDerWaalsContact O-CB 3.27Å; E467-Y471 WeakPolarHBondContact O-CB 3.44Å; E467-Y471 PolarHBondContact O-N 3.43Å; Q468-Y471 PolarHBondContact O-N 3.18Å; I469-Y471 VanDerWaalsContact C-N 3.28Å; I469-Y471 PolarHBondContact O-N 3.4Å; Y471-N473 VanDerWaalsContact C-N 3.32Å; Y471-N473 PolarHBondContact O-N 3.41Å; Y471-K474 PolarHBondContact O-N 2.88Å; Y471-T475 HydrophobicContact CD2-CG2 4.09Å; Y471-T475 HydrophobicContact CE1-CG2 4.23Å; Y471-T475 HydrophobicContact CE2-CG2 3.6Å; Y471-T475 WeakPolarHBondContact O-CB 3.49Å; Y471-T475 WeakPolarHBondContact O-CG2 3.46Å; Y471-T475 PolarHBondContact O-N 3.04Å; Y471-T475 PolarHBondContact O-OG1 3.26Å
472	L	87.5	Confident	87.2	Confident	17 Å²	17	57.5 Å²	57.5	9%	0.089	29%	0.291	C	S	.	.	H	α-helix	trans	-63.6	-39.8	177.3	-71	167.7	0	0	0	111.2	I335 F362 L464 Q468 I469 K474 T475 K476	I335-L472 HydrophobicContact CD1-CD1 3.53Å; I335-L472 HydrophobicContact CD1-CD2 3.77Å; I335-L472 HydrophobicContact CD1-CG 4.27Å; I335-L472 HydrophobicContact CG1-CD2 4.48Å; F362-L472 HydrophobicContact CZ-CD1 4.29Å; F362-L472 HydrophobicContact CZ-CG 4.5Å; L464-L472 HydrophobicContact CD1-CD1 3.75Å; Q468-L472 WeakPolarHBondContact O-CB 2.99Å; Q468-L472 WeakPolarHBondContact O-CG 3.13Å; Q468-L472 PolarHBondContact O-N 2.54Å; I469-L472 PolarHBondContact O-N 3.47Å; I469-L472 VanDerWaalsContact O-N 3.14Å; L472-K474 VanDerWaalsContact C-N 3.29Å; L472-K474 PolarHBondContact O-N 2.88Å; L472-T475 PolarHBondContact O-N 2.81Å; L472-K476 HydrophobicContact CD2-CG 4.24Å; L472-K476 WeakPolarHBondContact O-CA 3.24Å; L472-K476 VanDerWaalsContact O-CB 3.29Å; L472-K476 WeakPolarHBondContact O-CB 3.49Å; L472-K476 PolarHBondContact O-N 3.21Å
473	N	85.9	Confident	86.8	Confident	61 Å²	61	57.1 Å²	57.1	33%	0.326	29%	0.289	S	S	.	.	H	α-helix	trans	-64.1	-34.7	178.9	-71.4	-7.5	0	0	0	112.4	I469 D470 Y471 H481	I469-N473 WeakPolarHBondContact O-CB 3.24Å; I469-N473 PolarHBondContact O-N 2.83Å; I469-N473 PolarHBondContact O-OD1 3.08Å; D470-N473 PolarHBondContact O-N 2.89Å; Y471-N473 VanDerWaalsContact C-N 3.32Å; Y471-N473 PolarHBondContact O-N 3.41Å; N473-H481 WeakPolarHBondContact CA-NE2 3.43Å; N473-H481 PolarHBondContact OD1-ND1 3.35Å
474	K	87.3	Confident	86.6	Confident	179 Å²	179	54 Å²	54	78%	0.778	27%	0.27	S	S	*	.	H	α-helix	trans	-77.5	-34	176.5	-72.3	171.9	-176.9	173.4	0	113.5	D470 Y471 L472	D470-K474 WeakPolarHBondContact O-CG 3.35Å; D470-K474 PolarHBondContact O-N 2.85Å; D470-K474 VanDerWaalsContact O-N 3.08Å; Y471-K474 PolarHBondContact O-N 2.88Å; L472-K474 VanDerWaalsContact C-N 3.29Å; L472-K474 PolarHBondContact O-N 2.88Å
475	T	86.3	Confident	86.5	Confident	72 Å²	72	55 Å²	55	44%	0.442	28%	0.275	S	S	.	.	H	α-helix	trans	-98.9	-26.4	-170.4	54.7	0	0	0	0	114.2	Y471 L472	Y471-T475 HydrophobicContact CD2-CG2 4.09Å; Y471-T475 HydrophobicContact CE1-CG2 4.23Å; Y471-T475 HydrophobicContact CE2-CG2 3.6Å; Y471-T475 WeakPolarHBondContact O-CB 3.49Å; Y471-T475 WeakPolarHBondContact O-CG2 3.46Å; Y471-T475 PolarHBondContact O-N 3.04Å; Y471-T475 PolarHBondContact O-OG1 3.26Å; L472-T475 PolarHBondContact O-N 2.81Å
476	K	85	Confident	86.5	Confident	66 Å²	66	51.8 Å²	51.8	29%	0.287	26%	0.258	S	S	.	.	S	Bend	trans	-109.4	143.3	-177.5	-61.9	-68.6	-174	169.4	0	110.3	L472 F480 H481	L472-K476 HydrophobicContact CD2-CG 4.24Å; L472-K476 WeakPolarHBondContact O-CA 3.24Å; L472-K476 VanDerWaalsContact O-CB 3.29Å; L472-K476 WeakPolarHBondContact O-CB 3.49Å; L472-K476 PolarHBondContact O-N 3.21Å; K476-F480 HydrophobicContact CB-CB 4.02Å; K476-F480 HydrophobicContact CB-CD2 4.47Å; K476-F480 HydrophobicContact CB-CG 4.49Å; K476-H481 PolarHBondContact O-NE2 3.22Å
477	H	84.8	Confident	86.4	Confident	82 Å²	82	50.9 Å²	50.9	38%	0.38	25%	0.248	S	C	.	.			trans	-55.8	147.8	172.3	-174.8	-104.3	0	0	0	111.3	S282 A479 F480 H481	S282-H477 PolarHBondContact O-CE1 2.81Å; H477-A479 WeakPolarHBondContact ND1-CB 3.18Å; H477-A479 PolarHBondContact ND1-N 2.87Å; H477-A479 PolarHBondContact O-N 3.49Å; H477-F480 HydrophobicContact CB-CD2 3.91Å; H477-F480 HydrophobicContact CB-CE2 4.16Å; H477-F480 WeakPolarHBondContact O-CB 3.33Å; H477-F480 PolarHBondContact O-N 2.86Å; H477-H481 PolarHBondContact O-CD2 2.81Å
478	A	85.6	Confident	86.3	Confident	16 Å²	16	46.9 Å²	46.9	13%	0.132	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-56.4	-28.8	-174.3	0	0	0	0	0	113.8	T281 N301 F480 H481	T281-A478 HydrophobicContact CG2-CB 4.19Å; N301-A478 HydrophobicContact CB-CB 4.42Å; N301-A478 WeakPolarHBondContact O-CB 3.2Å; A478-F480 PolarHBondContact O-N 2.71Å; A478-F480 VanDerWaalsContact O-N 3.15Å; A478-H481 WeakPolarHBondContact O-CB 3.27Å; A478-H481 PolarHBondContact O-N 3.35Å; A478-H481 VanDerWaalsContact O-N 3.08Å
479	A	85.3	Confident	86.3	Confident	2 Å²	2	45.4 Å²	45.4	2%	0.017	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-61.1	-20.4	175	0	0	0	0	0	114.4	K33 T281 S282 Y283 H477	K33-A479 PolarHBondContact NZ-O 3.01Å; T281-A479 HydrophobicContact CG2-CB 4.45Å; T281-A479 WeakPolarHBondContact O-CB 3.44Å; S282-A479 WeakPolarHBondContact O-CB 3.06Å; Y283-A479 HydrophobicContact CD1-CB 3.5Å; Y283-A479 VanDerWaalsContact CD1-CB 3.5Å; Y283-A479 HydrophobicContact CE1-CB 3.6Å; Y283-A479 WeakPolarHBondContact CE1-O 3.47Å; Y283-A479 HydrophobicContact CG-CB 4.19Å; Y283-A479 PolarHBondContact OH-O 3.15Å; H477-A479 WeakPolarHBondContact ND1-CB 3.18Å; H477-A479 PolarHBondContact ND1-N 2.87Å; H477-A479 PolarHBondContact O-N 3.49Å
480	F	83	Confident	86.4	Confident	20 Å²	20	45.5 Å²	45.5	9%	0.088	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-89.7	-8.9	177.1	-68.2	-78.2	0	0	0	114.1	Y283 Q331 K476 H477 A478	Y283-F480 HydrophobicContact CD1-CD1 4.47Å; Y283-F480 HydrophobicContact CD1-CD2 4.23Å; Y283-F480 AromaticContact CD1-CE1 3.89Å; Y283-F480 HydrophobicContact CD1-CE1 3.89Å; Y283-F480 AromaticContact CD1-CE2 3.65Å; Y283-F480 HydrophobicContact CD1-CE2 3.65Å; Y283-F480 AromaticContact CD1-CZ 3.43Å; Y283-F480 HydrophobicContact CD1-CZ 3.43Å; Y283-F480 VanDerWaalsContact CD1-CZ 3.43Å; Y283-F480 AromaticContact CE1-CD1 3.56Å; Y283-F480 HydrophobicContact CE1-CD1 3.56Å; Y283-F480 AromaticContact CE1-CD2 3.9Å; Y283-F480 HydrophobicContact CE1-CD2 3.9Å; Y283-F480 AromaticContact CE1-CE1 3.28Å; Y283-F480 HydrophobicContact CE1-CE1 3.28Å; Y283-F480 AromaticContact CE1-CE2 3.67Å; Y283-F480 HydrophobicContact CE1-CE2 3.67Å; Y283-F480 AromaticContact CE1-CG 3.84Å; Y283-F480 HydrophobicContact CE1-CG 3.84Å; Y283-F480 AromaticContact CE1-CZ 3.34Å; Y283-F480 HydrophobicContact CE1-CZ 3.34Å; Q331-F480 WeakPolarHBondContact O-CE1 3.34Å; Q331-F480 WeakPolarHBondContact O-CZ 3.27Å; K476-F480 HydrophobicContact CB-CB 4.02Å; K476-F480 HydrophobicContact CB-CD2 4.47Å; K476-F480 HydrophobicContact CB-CG 4.49Å; H477-F480 HydrophobicContact CB-CD2 3.91Å; H477-F480 HydrophobicContact CB-CE2 4.16Å; H477-F480 WeakPolarHBondContact O-CB 3.33Å; H477-F480 PolarHBondContact O-N 2.86Å; A478-F480 PolarHBondContact O-N 2.71Å; A478-F480 VanDerWaalsContact O-N 3.15Å
481	H	83.3	Confident	86.6	Confident	26 Å²	26	42.7 Å²	42.7	12%	0.12	21%	0.207	C	C	.	.	S	Bend	trans	-70.3	144.6	-175.4	-62.2	-177.3	0	0	0	109.9	R302 N473 K476 H477 A478 L483	R302-H481 HydrophobicContact CG-CB 3.98Å; N473-H481 WeakPolarHBondContact CA-NE2 3.43Å; N473-H481 PolarHBondContact OD1-ND1 3.35Å; K476-H481 PolarHBondContact O-NE2 3.22Å; H477-H481 PolarHBondContact O-CD2 2.81Å; A478-H481 WeakPolarHBondContact O-CB 3.27Å; A478-H481 PolarHBondContact O-N 3.35Å; A478-H481 VanDerWaalsContact O-N 3.08Å; H481-L483 PolarHBondContact O-N 2.7Å
482	N	79.6	Confident	86.8	Confident	44 Å²	44	38.1 Å²	38.1	24%	0.235	19%	0.19	C	C	.	.			trans	-65.8	132	177.6	-173.1	6.6	0	0	0	109.4	R302 N484 F507 V508	R302-N482 PolarHBondContact NH1-O 3.24Å; N482-N484 VanDerWaalsContact OD1-CB 3.27Å; N482-N484 WeakPolarHBondContact OD1-CB 3.27Å; N482-N484 PolarHBondContact OD1-N 2.67Å; N482-N484 PolarHBondContact OD1-ND2 2.87Å; N482-F507 PolarHBondContact ND2-O 2.77Å; N482-V508 WeakPolarHBondContact ND2-CG2 3.29Å
483	L	84.7	Confident	87	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.016	19%	0.188	C	C	.	.			trans	-122.7	14.1	178.5	-74.9	169.8	0	0	0	111	F96 L280 R302 H481 L485 Y492 F495 F496	F96-L483 HydrophobicContact CB-CB 4.1Å; F96-L483 HydrophobicContact CB-CD1 4.26Å; F96-L483 HydrophobicContact CD2-CD1 4.44Å; F96-L483 CarbonylContact O-C 3.59Å; F96-L483 VanDerWaalsContact O-CA 3.24Å; F96-L483 WeakPolarHBondContact O-CA 3.23Å; F96-L483 WeakPolarHBondContact O-CB 3.49Å; L280-L483 HydrophobicContact CD1-CD1 3.66Å; L280-L483 HydrophobicContact CD2-CD1 4.1Å; L280-L483 HydrophobicContact CG-CD1 4.39Å; R302-L483 HydrophobicContact CB-CD2 4.01Å; R302-L483 HydrophobicContact CG-CD2 4.42Å; H481-L483 PolarHBondContact O-N 2.7Å; L483-L485 PolarHBondContact O-N 3.2Å; L483-Y492 WeakPolarHBondContact O-CE1 3.29Å; L483-Y492 PolarHBondContact O-OH 3.17Å; L483-F495 HydrophobicContact CD2-CE1 4.39Å; L483-F496 HydrophobicContact CD2-CE1 3.51Å; L483-F496 HydrophobicContact CD2-CZ 3.91Å
484	N	87.4	Confident	87.2	Confident	19 Å²	19	38.5 Å²	38.5	10%	0.102	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-58.4	126.4	168.9	-69.2	-17.4	0	0	0	108.7	F96 V97 S98 N482 P486	F96-N484 PolarHBondContact O-N 3.36Å; V97-N484 VanDerWaalsContact CA-OD1 3.28Å; V97-N484 WeakPolarHBondContact CA-OD1 3.46Å; V97-N484 PolarHBondContact N-OD1 3.2Å; V97-N484 PolarHBondContact O-OD1 2.96Å; V97-N484 VanDerWaalsContact O-OD1 3.07Å; S98-N484 PolarHBondContact N-OD1 2.74Å; N482-N484 VanDerWaalsContact OD1-CB 3.27Å; N482-N484 WeakPolarHBondContact OD1-CB 3.27Å; N482-N484 PolarHBondContact OD1-N 2.67Å; N482-N484 PolarHBondContact OD1-ND2 2.87Å; N484-P486 WeakPolarHBondContact O-CD 3.27Å
485	L	89.4	Confident	87.3	Confident	32 Å²	32	31.5 Å²	31.5	17%	0.168	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-62.2	122.5	-179.8	-166.4	71.7	0	0	0	109.1	M235 L483 A489 Y492 F495	M235-L485 HydrophobicContact SD-CD2 4.02Å; L483-L485 PolarHBondContact O-N 3.2Å; L485-A489 HydrophobicContact CD1-CB 3.92Å; L485-A489 HydrophobicContact CG-CB 4.18Å; L485-Y492 HydrophobicContact CB-CE1 4.43Å; L485-Y492 HydrophobicContact CD1-CD1 4.07Å; L485-Y492 HydrophobicContact CD1-CD2 4.33Å; L485-Y492 HydrophobicContact CD1-CE1 4.1Å; L485-Y492 HydrophobicContact CD1-CE2 4.36Å; L485-Y492 HydrophobicContact CD1-CG 4.17Å; L485-F495 HydrophobicContact CD1-CB 4.05Å; L485-F495 HydrophobicContact CD1-CD1 4.49Å
486	P	88.7	Confident	87.5	Confident	5 Å²	5	28.3 Å²	28.3	3%	0.032	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-72.5	160.3	-177	30.4	-35.9	0	0	0	111.5	N484 W488 A489 F495 D505	N484-P486 WeakPolarHBondContact O-CD 3.27Å; P486-W488 HydrophobicContact CB-CD2 4.42Å; P486-W488 HydrophobicContact CB-CG 4.48Å; P486-W488 HydrophobicContact CB-CZ2 4.21Å; P486-W488 HydrophobicContact CG-CD2 4.02Å; P486-W488 VanDerWaalsContact CG-CE2 3.41Å; P486-W488 HydrophobicContact CG-CH2 4.05Å; P486-W488 HydrophobicContact CG-CZ2 3.44Å; P486-W488 VanDerWaalsContact CG-CZ2 3.44Å; P486-W488 PolarHBondContact O-N 2.65Å; P486-W488 VanDerWaalsContact O-N 3.13Å; P486-A489 HydrophobicContact CG-CB 3.79Å; P486-A489 PolarHBondContact O-N 2.92Å; P486-F495 HydrophobicContact CG-CD2 3.66Å; P486-F495 HydrophobicContact CG-CE2 3.83Å; P486-F495 HydrophobicContact CG-CG 4.21Å; P486-F495 HydrophobicContact CG-CZ 4.49Å; P486-D505 HydrophobicContact CB-CB 3.49Å; P486-D505 VanDerWaalsContact CB-CB 3.49Å
487	N	87.2	Confident	87.5	Confident	49 Å²	49	29.9 Å²	29.9	26%	0.262	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.9	-172.6	-70.1	-49.2	0	0	0	115.1	F155 R219 D505	F155-N487 VanDerWaalsContact CB-OD1 3.28Å; F155-N487 WeakPolarHBondContact CB-OD1 3Å; F155-N487 WeakPolarHBondContact CD1-OD1 3.2Å; F155-N487 VanDerWaalsContact CG-OD1 3.31Å; F155-N487 WeakPolarHBondContact CG-OD1 3.49Å; R219-N487 PolarHBondContact NH1-O 2.82Å; R219-N487 PolarHBondContact NH1-OD1 3.18Å; N487-D505 PolarHBondContact N-OD2 2.97Å; N487-D505 VanDerWaalsContact N-OD2 3.14Å; N487-D505 PolarHBondContact ND2-OD2 3.07Å
488	W	86.6	Confident	86.9	Confident	73 Å²	73	28.8 Å²	28.8	28%	0.277	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.8	178.3	57.2	-102.1	0	0	0	113.6	P486 Q494 F495 T498 A502 P503	P486-W488 HydrophobicContact CB-CD2 4.42Å; P486-W488 HydrophobicContact CB-CG 4.48Å; P486-W488 HydrophobicContact CB-CZ2 4.21Å; P486-W488 HydrophobicContact CG-CD2 4.02Å; P486-W488 VanDerWaalsContact CG-CE2 3.41Å; P486-W488 HydrophobicContact CG-CH2 4.05Å; P486-W488 HydrophobicContact CG-CZ2 3.44Å; P486-W488 VanDerWaalsContact CG-CZ2 3.44Å; P486-W488 PolarHBondContact O-N 2.65Å; P486-W488 VanDerWaalsContact O-N 3.13Å; W488-Q494 HydrophobicContact CZ3-CG 4.28Å; W488-Q494 PolarHBondContact O-NE2 3.46Å; W488-F495 AromaticContact CH2-CD2 3.86Å; W488-F495 HydrophobicContact CH2-CD2 3.86Å; W488-F495 AromaticContact CZ2-CD2 3.94Å; W488-F495 HydrophobicContact CZ2-CD2 3.94Å; W488-F495 HydrophobicContact CZ2-CE2 4.38Å; W488-T498 HydrophobicContact CH2-CG2 3.97Å; W488-T498 WeakPolarHBondContact CH2-OG1 3.36Å; W488-T498 HydrophobicContact CZ3-CG2 3.89Å; W488-A502 HydrophobicContact CD2-CB 4.29Å; W488-A502 HydrophobicContact CH2-CB 3.87Å; W488-A502 HydrophobicContact CZ2-CB 3.47Å; W488-A502 VanDerWaalsContact CZ2-CB 3.47Å; W488-A502 HydrophobicContact CZ3-CB 4.4Å; W488-P503 PolarHBondContact NE1-O 3.28Å
489	A	89.6	Confident	85.8	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.			trans	-103.2	138.6	178.6	0	0	0	0	0	110.7	R219 L485 P486 F495	R219-A489 PolarHBondContact NH2-O 3.39Å; L485-A489 HydrophobicContact CD1-CB 3.92Å; L485-A489 HydrophobicContact CG-CB 4.18Å; P486-A489 HydrophobicContact CG-CB 3.79Å; P486-A489 PolarHBondContact O-N 2.92Å; A489-F495 HydrophobicContact CB-CB 4.27Å
490	S	90	Very high	84.2	Confident	25 Å²	25	40.4 Å²	40.4	18%	0.175	21%	0.208	C	C	.	.	S	Bend	trans	-96.3	-23.1	171	-57.4	0	0	0	0	111.9	A47 E233	A47-S490 VanDerWaalsContact CB-O 3.27Å; A47-S490 WeakPolarHBondContact CB-O 3.28Å; E233-S490 WeakPolarHBondContact OE2-CA 3.46Å; E233-S490 WeakPolarHBondContact OE2-CB 3.32Å; E233-S490 PolarHBondContact OE2-OG 3.31Å
491	S	92.9	Very high	82.4	Confident	6 Å²	6	44.8 Å²	44.8	4%	0.042	24%	0.241	C	C	.	.	S	Bend	trans	-141	153.4	-175.8	71.1	0	0	0	0	112.4	E29 S493 Q494 F495	E29-S491 WeakPolarHBondContact OE1-CB 3.32Å; E29-S491 WeakPolarHBondContact OE2-CA 3.42Å; E29-S491 WeakPolarHBondContact OE2-CB 3.37Å; S491-S493 VanDerWaalsContact C-N 3.34Å; S491-S493 PolarHBondContact OG-OG 2.97Å; S491-S493 VanDerWaalsContact OG-OG 3.09Å; S491-Q494 WeakPolarHBondContact O-CB 3.22Å; S491-Q494 PolarHBondContact O-N 3.28Å; S491-Q494 WeakPolarHBondContact OG-CB 2.98Å; S491-Q494 PolarHBondContact OG-N 3Å; S491-F495 PolarHBondContact O-N 2.92Å
492	Y	93.2	Very high	81.1	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-36.4	176.3	-78.4	-76.4	0	0	0	112.3	E29 L31 H43 N45 L483 L485 Q494 F495 F496	E29-Y492 PolarHBondContact OE1-N 3.1Å; E29-Y492 WeakPolarHBondContact OE2-CB 3.37Å; E29-Y492 PolarHBondContact OE2-N 3.1Å; L31-Y492 HydrophobicContact CD1-CD1 3.96Å; L31-Y492 HydrophobicContact CD1-CD2 3.94Å; L31-Y492 HydrophobicContact CD1-CE1 3.68Å; L31-Y492 HydrophobicContact CD1-CE2 3.65Å; L31-Y492 HydrophobicContact CD1-CG 4.09Å; L31-Y492 HydrophobicContact CD2-CD1 4.27Å; L31-Y492 HydrophobicContact CD2-CD2 4.2Å; L31-Y492 HydrophobicContact CD2-CG 3.96Å; L31-Y492 HydrophobicContact CG-CD2 4.22Å; L31-Y492 HydrophobicContact CG-CE2 4.33Å; L31-Y492 HydrophobicContact CG-CG 4.41Å; H43-Y492 AromaticContact CD2-CE2 3.89Å; H43-Y492 AromaticContact NE2-CE2 3.83Å; N45-Y492 HydrophobicContact CB-CD2 4.11Å; N45-Y492 HydrophobicContact CB-CE2 4.02Å; L483-Y492 WeakPolarHBondContact O-CE1 3.29Å; L483-Y492 PolarHBondContact O-OH 3.17Å; L485-Y492 HydrophobicContact CB-CE1 4.43Å; L485-Y492 HydrophobicContact CD1-CD1 4.07Å; L485-Y492 HydrophobicContact CD1-CD2 4.33Å; L485-Y492 HydrophobicContact CD1-CE1 4.1Å; L485-Y492 HydrophobicContact CD1-CE2 4.36Å; L485-Y492 HydrophobicContact CD1-CG 4.17Å; Y492-Q494 VanDerWaalsContact C-N 3.31Å; Y492-Q494 PolarHBondContact O-N 2.52Å; Y492-F495 HydrophobicContact CD1-CD1 4.16Å; Y492-F495 HydrophobicContact CE1-CD1 4.42Å; Y492-F495 CarbonylContact O-C 3.55Å; Y492-F495 WeakPolarHBondContact O-CB 3.41Å; Y492-F495 PolarHBondContact O-N 2.85Å; Y492-F495 VanDerWaalsContact O-N 3.1Å; Y492-F496 HydrophobicContact CD1-CE1 4.34Å; Y492-F496 HydrophobicContact CD1-CE2 4.17Å; Y492-F496 AromaticContact CD1-CZ 3.74Å; Y492-F496 HydrophobicContact CD1-CZ 3.74Å; Y492-F496 HydrophobicContact CG-CE2 4.4Å; Y492-F496 HydrophobicContact CG-CZ 4.4Å; Y492-F496 WeakPolarHBondContact O-CB 3.48Å; Y492-F496 WeakPolarHBondContact O-CD2 3.27Å; Y492-F496 WeakPolarHBondContact O-CG 3.39Å; Y492-F496 PolarHBondContact O-N 3.42Å
493	S	91.9	Very high	80	Confident	8 Å²	8	47.4 Å²	47.4	6%	0.056	27%	0.265	C	S	.	.	H	α-helix	trans	-58.7	-42.1	171.8	47.7	0	0	0	0	112.6	E29 R276 S491 F495 N497	E29-S493 VanDerWaalsContact OE1-CB 3.24Å; E29-S493 WeakPolarHBondContact OE1-CB 3.5Å; E29-S493 PolarHBondContact OE1-N 3.39Å; E29-S493 PolarHBondContact OE1-OG 3.47Å; R276-S493 PolarHBondContact NH1-OG 2.97Å; S491-S493 VanDerWaalsContact C-N 3.34Å; S491-S493 PolarHBondContact OG-OG 2.97Å; S491-S493 VanDerWaalsContact OG-OG 3.09Å; S493-F495 VanDerWaalsContact C-N 3.35Å; S493-N497 WeakPolarHBondContact O-CB 3.21Å; S493-N497 VanDerWaalsContact O-CG 3.24Å; S493-N497 PolarHBondContact O-N 3.5Å; S493-N497 VanDerWaalsContact O-N 3.15Å; S493-N497 PolarHBondContact O-ND2 2.69Å
494	Q	89.5	Confident	78.7	Confident	78 Å²	78	50 Å²	50	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-43.4	172.3	-173	-169.7	-0.8	0	0	110.7	W488 S491 Y492 T498	W488-Q494 HydrophobicContact CZ3-CG 4.28Å; W488-Q494 PolarHBondContact O-NE2 3.46Å; S491-Q494 WeakPolarHBondContact O-CB 3.22Å; S491-Q494 PolarHBondContact O-N 3.28Å; S491-Q494 WeakPolarHBondContact OG-CB 2.98Å; S491-Q494 PolarHBondContact OG-N 3Å; Y492-Q494 VanDerWaalsContact C-N 3.31Å; Y492-Q494 PolarHBondContact O-N 2.52Å; Q494-T498 WeakPolarHBondContact O-CG2 3.45Å; Q494-T498 PolarHBondContact O-N 3.12Å
495	F	90	Very high	77.7	Confident	31 Å²	31	51.6 Å²	51.6	14%	0.136	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-40.8	-179.8	180	-145	0	0	0	113.6	R302 L483 L485 P486 W488 A489 S491 Y492 S493 T498	R302-F495 VanDerWaalsContact NH1-CE1 3.3Å; L483-F495 HydrophobicContact CD2-CE1 4.39Å; L485-F495 HydrophobicContact CD1-CB 4.05Å; L485-F495 HydrophobicContact CD1-CD1 4.49Å; P486-F495 HydrophobicContact CG-CD2 3.66Å; P486-F495 HydrophobicContact CG-CE2 3.83Å; P486-F495 HydrophobicContact CG-CG 4.21Å; P486-F495 HydrophobicContact CG-CZ 4.49Å; W488-F495 AromaticContact CH2-CD2 3.86Å; W488-F495 HydrophobicContact CH2-CD2 3.86Å; W488-F495 AromaticContact CZ2-CD2 3.94Å; W488-F495 HydrophobicContact CZ2-CD2 3.94Å; W488-F495 HydrophobicContact CZ2-CE2 4.38Å; A489-F495 HydrophobicContact CB-CB 4.27Å; S491-F495 PolarHBondContact O-N 2.92Å; Y492-F495 HydrophobicContact CD1-CD1 4.16Å; Y492-F495 HydrophobicContact CE1-CD1 4.42Å; Y492-F495 CarbonylContact O-C 3.55Å; Y492-F495 WeakPolarHBondContact O-CB 3.41Å; Y492-F495 PolarHBondContact O-N 2.85Å; Y492-F495 VanDerWaalsContact O-N 3.1Å; S493-F495 VanDerWaalsContact C-N 3.35Å; F495-T498 PolarHBondContact O-OG1 2.87Å
496	F	89.2	Confident	77.5	Confident	6 Å²	6	50.2 Å²	50.2	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-78.2	-29.6	-178.7	-60.1	-36	0	0	0	113.3	L31 F278 L280 D300 V303 L483 Y492	L31-F496 HydrophobicContact CD2-CE2 4.39Å; F278-F496 AromaticContact CD1-CD2 3.97Å; F278-F496 HydrophobicContact CD1-CD2 3.97Å; F278-F496 AromaticContact CD1-CE2 3.95Å; F278-F496 HydrophobicContact CD1-CE2 3.95Å; F278-F496 HydrophobicContact CD2-CE2 4.4Å; F278-F496 AromaticContact CE1-CD2 3.83Å; F278-F496 HydrophobicContact CE1-CD2 3.83Å; F278-F496 HydrophobicContact CE1-CE2 4.2Å; F278-F496 HydrophobicContact CG-CD2 4.5Å; F278-F496 HydrophobicContact CG-CE2 4.05Å; F278-F496 HydrophobicContact CZ-CD2 4.24Å; L280-F496 HydrophobicContact CD2-CZ 4.23Å; D300-F496 HydrophobicContact CB-CB 4.04Å; D300-F496 HydrophobicContact CB-CD1 4.23Å; D300-F496 HydrophobicContact CB-CG 4.33Å; D300-F496 WeakPolarHBondContact OD2-CD1 3.37Å; V303-F496 HydrophobicContact CG2-CD1 4.18Å; V303-F496 HydrophobicContact CG2-CD2 3.62Å; V303-F496 HydrophobicContact CG2-CE1 4.14Å; V303-F496 HydrophobicContact CG2-CE2 3.55Å; V303-F496 HydrophobicContact CG2-CG 3.95Å; V303-F496 HydrophobicContact CG2-CZ 3.83Å; L483-F496 HydrophobicContact CD2-CE1 3.51Å; L483-F496 HydrophobicContact CD2-CZ 3.91Å; Y492-F496 HydrophobicContact CD1-CE1 4.34Å; Y492-F496 HydrophobicContact CD1-CE2 4.17Å; Y492-F496 AromaticContact CD1-CZ 3.74Å; Y492-F496 HydrophobicContact CD1-CZ 3.74Å; Y492-F496 HydrophobicContact CG-CE2 4.4Å; Y492-F496 HydrophobicContact CG-CZ 4.4Å; Y492-F496 WeakPolarHBondContact O-CB 3.48Å; Y492-F496 WeakPolarHBondContact O-CD2 3.27Å; Y492-F496 WeakPolarHBondContact O-CG 3.39Å; Y492-F496 PolarHBondContact O-N 3.42Å
497	N	84.6	Confident	77.6	Confident	99 Å²	99	52.2 Å²	52.2	53%	0.529	29%	0.288	S	S	.	.	H	α-helix	trans	-78.3	-18.2	-178.8	-75.4	-7.1	0	0	0	113.7	S493 T499	S493-N497 WeakPolarHBondContact O-CB 3.21Å; S493-N497 VanDerWaalsContact O-CG 3.24Å; S493-N497 PolarHBondContact O-N 3.5Å; S493-N497 VanDerWaalsContact O-N 3.15Å; S493-N497 PolarHBondContact O-ND2 2.69Å; N497-T499 PolarHBondContact O-N 2.76Å
498	T	73.7	Confident	77.8	Confident	59 Å²	59	50.4 Å²	50.4	36%	0.362	28%	0.278	S	S	.	.	S	Bend	trans	-77.5	115.3	-179.7	47.4	0	0	0	0	112	W488 Q494 F495 H500	W488-T498 HydrophobicContact CH2-CG2 3.97Å; W488-T498 WeakPolarHBondContact CH2-OG1 3.36Å; W488-T498 HydrophobicContact CZ3-CG2 3.89Å; Q494-T498 WeakPolarHBondContact O-CG2 3.45Å; Q494-T498 PolarHBondContact O-N 3.12Å; F495-T498 PolarHBondContact O-OG1 2.87Å; T498-H500 PolarHBondContact O-N 2.96Å
499	T	60.9	Low	78.1	Confident	103 Å²	103	48 Å²	48	63%	0.632	27%	0.269	S	S	*	.			trans	-78.5	97.2	177	47.4	0	0	0	0	111.4	N497 S501	N497-T499 PolarHBondContact O-N 2.76Å; T499-S501 WeakPolarHBondContact O-CB 3.45Å; T499-S501 PolarHBondContact O-N 2.99Å; T499-S501 PolarHBondContact O-OG 2.86Å
500	H	53.2	Low	78.3	Confident	159 Å²	159	48.8 Å²	48.8	74%	0.736	27%	0.273	S	S	*	.	S	Bend	trans	47.9	-7.4	165.3	-65.1	-72.5	0	0	0	120.2	T498	T498-H500 PolarHBondContact O-N 2.96Å
501	S	45.1	Very low	78.6	Confident	111 Å²	111	49 Å²	49	78%	0.776	27%	0.271	S	S	*	.			trans	-93.3	-19.4	-170.8	-50.2	0	0	0	0	111.8	T499	T499-S501 WeakPolarHBondContact O-CB 3.45Å; T499-S501 PolarHBondContact O-N 2.99Å; T499-S501 PolarHBondContact O-OG 2.86Å
502	A	55.8	Low	78.7	Confident	25 Å²	25	48.9 Å²	48.9	21%	0.207	27%	0.27	C	S	.	.	S	Bend	trans	-72.6	139.3	171.7	0	0	0	0	0	109	W488 Q504	W488-A502 HydrophobicContact CD2-CB 4.29Å; W488-A502 HydrophobicContact CH2-CB 3.87Å; W488-A502 HydrophobicContact CZ2-CB 3.47Å; W488-A502 VanDerWaalsContact CZ2-CB 3.47Å; W488-A502 HydrophobicContact CZ3-CB 4.4Å; A502-Q504 PolarHBondContact O-N 2.8Å
503	P	56.7	Low	78.8	Confident	101 Å²	101	50.3 Å²	50.3	66%	0.656	28%	0.28	S	S	*	.			trans	-55.7	115.8	176	21.8	-30.1	0	0	0	108.3	W488 D505	W488-P503 PolarHBondContact NE1-O 3.28Å; P503-D505 PolarHBondContact O-N 3.5Å
504	Q	56.1	Low	79	Confident	56 Å²	56	51.2 Å²	51.2	26%	0.262	29%	0.285	S	S	.	.			trans	-62.9	108	175.4	-63	-178.5	10.3	0	0	106.7	I469 D470 A502 G506	I469-Q504 HydrophobicContact CD1-CB 3.64Å; I469-Q504 VanDerWaalsContact CD1-OE1 3.27Å; D470-Q504 PolarHBondContact OD1-NE2 2.65Å; A502-Q504 PolarHBondContact O-N 2.8Å; Q504-G506 PolarHBondContact O-N 3.07Å
505	D	67.8	Low	79.1	Confident	54 Å²	54	48.1 Å²	48.1	29%	0.289	27%	0.272	S	S	.	.			trans	-80.6	82.2	179.8	-150.6	-8.2	0	0	0	106.9	P486 N487 P503 F507	P486-D505 HydrophobicContact CB-CB 3.49Å; P486-D505 VanDerWaalsContact CB-CB 3.49Å; N487-D505 PolarHBondContact N-OD2 2.97Å; N487-D505 VanDerWaalsContact N-OD2 3.14Å; N487-D505 PolarHBondContact ND2-OD2 3.07Å; P503-D505 PolarHBondContact O-N 3.5Å; D505-F507 PolarHBondContact O-N 3.09Å
506	G	84.4	Confident	79.2	Confident	3 Å²	3	50.1 Å²	50.1	3%	0.031	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	16.5	180	0	0	0	0	0	114.1	V463 L464 Q504	V463-G506 WeakPolarHBondContact CA-O 3.45Å; L464-G506 PolarHBondContact N-O 3.4Å; Q504-G506 PolarHBondContact O-N 3.07Å
507	F	90.5	Very high	79.3	Confident	47 Å²	47	49.9 Å²	49.9	21%	0.206	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	128.6	-178.1	-176.4	-104.5	0	0	0	111	F155 Y462 V463 N482 D505 R509	F155-F507 HydrophobicContact CE1-CE1 4.1Å; F155-F507 HydrophobicContact CZ-CE1 4.2Å; Y462-F507 WeakPolarHBondContact O-CA 3.43Å; V463-F507 HydrophobicContact CG2-CB 4.36Å; V463-F507 HydrophobicContact CG2-CD2 3.81Å; N482-F507 PolarHBondContact ND2-O 2.77Å; D505-F507 PolarHBondContact O-N 3.09Å; F507-R509 HydrophobicContact CE1-CB 3.99Å; F507-R509 HydrophobicContact CZ-CB 4.11Å
508	V	91.5	Very high	79.5	Confident	10 Å²	10	49.5 Å²	49.5	6%	0.061	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.7	173.8	-178.6	0	0	0	0	107.9	S461 Y462 N482 L510	S461-V508 CarbonylContact C-O 3.56Å; S461-V508 VanDerWaalsContact CA-O 3.27Å; S461-V508 WeakPolarHBondContact CA-O 3.29Å; Y462-V508 HydrophobicContact CD1-CB 4.34Å; Y462-V508 HydrophobicContact CD2-CB 4.3Å; Y462-V508 HydrophobicContact CE1-CB 3.84Å; Y462-V508 HydrophobicContact CE1-CG1 3.84Å; Y462-V508 HydrophobicContact CE2-CB 3.79Å; Y462-V508 HydrophobicContact CE2-CG1 4.44Å; Y462-V508 HydrophobicContact CE2-CG2 3.85Å; Y462-V508 PolarHBondContact N-O 3.19Å; Y462-V508 PolarHBondContact O-N 3.02Å; N482-V508 WeakPolarHBondContact ND2-CG2 3.29Å; V508-L510 HydrophobicContact CG1-CD2 3.84Å; V508-L510 HydrophobicContact CG1-CG 4.09Å
509	R	93.4	Very high	80.2	Confident	23 Å²	23	47.3 Å²	47.3	9%	0.087	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.2	169.8	-177	176.6	-68.9	151.2	-0.6	109.1	S151 T459 V460 S461 F507	S151-R509 PolarHBondContact O-NH2 3.31Å; T459-R509 HydrophobicContact CG2-CG 3.56Å; V460-R509 CarbonylContact O-C 3.54Å; V460-R509 WeakPolarHBondContact O-CA 3.5Å; S461-R509 PolarHBondContact OG-NE 3.3Å; F507-R509 HydrophobicContact CE1-CB 3.99Å; F507-R509 HydrophobicContact CZ-CB 4.11Å
510	L	93.8	Very high	81.5	Confident	16 Å²	16	44.3 Å²	44.3	8%	0.084	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	152.3	176.1	-51.9	175	0	0	0	108.7	N95 V336 T459 V460 Y462 V508	N95-L510 WeakPolarHBondContact ND2-CD2 3.47Å; V336-L510 HydrophobicContact CB-CD1 4.07Å; V336-L510 HydrophobicContact CG1-CD1 4.02Å; V336-L510 WeakPolarHBondContact O-CD1 3.2Å; T459-L510 WeakPolarHBondContact CA-O 3.45Å; V460-L510 HydrophobicContact CB-CB 4.35Å; V460-L510 PolarHBondContact N-O 3.03Å; V460-L510 PolarHBondContact O-N 3.31Å; Y462-L510 HydrophobicContact CE1-CD1 4.12Å; V508-L510 HydrophobicContact CG1-CD2 3.84Å; V508-L510 HydrophobicContact CG1-CG 4.09Å
511	H	95.7	Very high	83.2	Confident	30 Å²	30	39.5 Å²	39.5	14%	0.139	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137.2	171.7	-60	81.6	0	0	0	109.4	V99 P101 E105 A457 A458	V99-H511 PolarHBondContact O-ND1 2.86Å; P101-H511 HydrophobicContact CB-CB 3.98Å; E105-H511 IonicContact OE1-CD2 3.62Å; E105-H511 IonicContact OE1-CE1 3.1Å; E105-H511 IonicContact OE1-NE2 3.56Å; E105-H511 PolarHBondContact OE1-NE2 2.77Å; E105-H511 IonicContact OE2-CE1 3.91Å; E105-H511 IonicContact OE2-NE2 2.6Å; E105-H511 PolarHBondContact OE2-NE2 3.05Å; A457-H511 HydrophobicContact CB-CB 4.22Å; A458-H511 WeakPolarHBondContact O-CA 3.22Å
512	T	96.1	Very high	85.1	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.018	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-72.2	158.8	170.7	59.2	0	0	0	0	110.5	A338 K340 A457 A458	A338-T512 HydrophobicContact CB-CG2 3.91Å; K340-T512 HydrophobicContact CB-CG2 4Å; A457-T512 WeakPolarHBondContact CB-O 3.05Å; A458-T512 WeakPolarHBondContact CA-OG1 3.21Å; A458-T512 HydrophobicContact CB-CG2 4.06Å; A458-T512 WeakPolarHBondContact CB-OG1 3.37Å; A458-T512 PolarHBondContact N-OG1 2.75Å; A458-T512 PolarHBondContact O-N 2.87Å; A458-T512 PolarHBondContact O-OG1 3.1Å
513	P	95.2	Very high	86.5	Confident	34 Å²	34	41.5 Å²	41.5	22%	0.221	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-58.7	142.9	169.6	-24.8	35.1	0	0	0	112.4	I87	I87-P513 HydrophobicContact CD1-CB 4.08Å; I87-P513 HydrophobicContact CG2-CG 4.18Å
514	V	95.5	Very high	87.7	Confident	28 Å²	28	40.3 Å²	40.3	17%	0.17	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-64.1	141	168.7	178.4	0	0	0	0	108.6	P173 F454 L455 A457	P173-V514 HydrophobicContact CB-CB 4.26Å; P173-V514 HydrophobicContact CB-CG1 3.39Å; P173-V514 HydrophobicContact CB-CG2 3.86Å; P173-V514 HydrophobicContact CG-CG1 3.99Å; P173-V514 HydrophobicContact CG-CG2 4.36Å; F454-V514 HydrophobicContact CB-CG1 4Å; F454-V514 HydrophobicContact CD1-CG1 3.61Å; F454-V514 HydrophobicContact CE1-CG1 4.48Å; F454-V514 HydrophobicContact CG-CG1 4.21Å; L455-V514 WeakPolarHBondContact O-CG1 3.36Å; A457-V514 HydrophobicContact CB-CG2 4.32Å
515	S	92.9	Very high	89.2	Confident	13 Å²	13	40.2 Å²	40.2	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	152.8	-179.5	-50.5	0	0	0	0	111.9	K340 F454 L455	K340-S515 PolarHBondContact O-OG 2.91Å; F454-S515 CarbonylContact C-O 3.46Å; F454-S515 WeakPolarHBondContact CA-O 3.47Å; L455-S515 PolarHBondContact N-O 3.41Å; L455-S515 PolarHBondContact O-N 2.73Å
516	L	91.7	Very high	90.1	Very high	73 Å²	73	44.1 Å²	44.1	38%	0.382	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121	179.6	-78.9	165.1	0	0	0	112.3	I342 F454	I342-L516 WeakPolarHBondContact CD1-O 3.23Å; F454-L516 HydrophobicContact CD1-CD2 3.43Å; F454-L516 VanDerWaalsContact CD1-CD2 3.43Å; F454-L516 HydrophobicContact CD1-CG 4.02Å; F454-L516 HydrophobicContact CE1-CD1 4.46Å; F454-L516 HydrophobicContact CE1-CD2 3.46Å; F454-L516 VanDerWaalsContact CE1-CD2 3.46Å; F454-L516 HydrophobicContact CE1-CG 3.99Å; F454-L516 HydrophobicContact CG-CD2 4.03Å; F454-L516 HydrophobicContact CZ-CD2 4.06Å
517	V	91.3	Very high	90.1	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120	172.9	176.6	0	0	0	0	109.6	I342 F435 K437 F453 L455 M519	I342-V517 HydrophobicContact CD1-CB 4.36Å; I342-V517 HydrophobicContact CD1-CG2 3.43Å; I342-V517 VanDerWaalsContact CD1-CG2 3.43Å; I342-V517 HydrophobicContact CG1-CG2 4.12Å; F435-V517 HydrophobicContact CE2-CG1 4.35Å; F435-V517 HydrophobicContact CE2-CG2 4.44Å; F435-V517 HydrophobicContact CZ-CG1 4.47Å; F435-V517 HydrophobicContact CZ-CG2 3.85Å; K437-V517 HydrophobicContact CD-CG1 4.1Å; K437-V517 HydrophobicContact CG-CG1 4.28Å; F453-V517 PolarHBondContact N-O 3.01Å; F453-V517 PolarHBondContact O-N 3.05Å; L455-V517 HydrophobicContact CD1-CG2 3.43Å; L455-V517 VanDerWaalsContact CD1-CG2 3.43Å; L455-V517 HydrophobicContact CD2-CG2 3.98Å; L455-V517 HydrophobicContact CG-CG2 3.51Å; V517-M519 HydrophobicContact CG1-CE 3.9Å; V517-M519 HydrophobicContact CG1-SD 4.23Å; V517-M519 PolarHBondContact O-N 2.83Å
518	T	89.1	Confident	89.9	Confident	91 Å²	91	51.8 Å²	51.8	56%	0.558	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-72.5	126.2	169.6	53.4	0	0	0	0	110.3	K437	K437-T518 WeakPolarHBondContact CD-O 3.16Å; K437-T518 WeakPolarHBondContact CE-O 2.97Å; K437-T518 PolarHBondContact NZ-O 3.35Å
519	M	88.5	Confident	89.9	Confident	12 Å²	12	56 Å²	56	6%	0.059	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-101.5	153.3	174.5	-67.6	-61.5	-177.9	0	0	109.9	Y375 K437 F453 V517 T521	Y375-M519 HydrophobicContact CD2-CE 3.28Å; Y375-M519 HydrophobicContact CE2-CE 4.02Å; Y375-M519 HydrophobicContact CG-CE 3.93Å; K437-M519 HydrophobicContact CB-SD 3.77Å; K437-M519 HydrophobicContact CD-SD 4.08Å; K437-M519 HydrophobicContact CG-SD 4Å; F453-M519 HydrophobicContact CB-CE 4.4Å; F453-M519 HydrophobicContact CB-CG 4.45Å; F453-M519 HydrophobicContact CD2-CB 3.9Å; F453-M519 HydrophobicContact CD2-CG 3.26Å; F453-M519 HydrophobicContact CE2-CB 3.86Å; F453-M519 HydrophobicContact CE2-CG 3.59Å; F453-M519 HydrophobicContact CG-CE 4.46Å; F453-M519 HydrophobicContact CG-CG 3.97Å; F453-M519 HydrophobicContact CZ-CG 4.5Å; V517-M519 HydrophobicContact CG1-CE 3.9Å; V517-M519 HydrophobicContact CG1-SD 4.23Å; V517-M519 PolarHBondContact O-N 2.83Å; M519-T521 PolarHBondContact O-N 3.37Å; M519-T521 VanDerWaalsContact O-N 3.07Å
520	P	88.1	Confident	89.9	Confident	40 Å²	40	58.7 Å²	58.7	26%	0.26	33%	0.327	S	S	.	.			trans	-62.3	111.9	170.9	23.7	-30.2	0	0	0	109.7	L439 F445	L439-P520 HydrophobicContact CD2-CB 4.42Å; L439-P520 HydrophobicContact CD2-CG 3.45Å; L439-P520 VanDerWaalsContact CD2-CG 3.45Å; F445-P520 WeakPolarHBondContact CZ-O 3.25Å
521	T	87.6	Confident	89.8	Confident	58 Å²	58	63.4 Å²	63.4	36%	0.356	35%	0.351	S	S	.	.			trans	-90	135	176.6	48	0	0	0	0	110.2	F445 A449 M519 F524	F445-T521 HydrophobicContact CD1-CG2 4.4Å; F445-T521 HydrophobicContact CE1-CG2 3.99Å; A449-T521 HydrophobicContact CB-CG2 3.81Å; M519-T521 PolarHBondContact O-N 3.37Å; M519-T521 VanDerWaalsContact O-N 3.07Å; T521-F524 HydrophobicContact CG2-CE2 4.37Å
522	P	85.6	Confident	89.7	Confident	65 Å²	65	65 Å²	65	42%	0.422	37%	0.365	S	S	.	.			trans	-73.1	168	169.5	33	-35.9	0	0	0	110.6	F445 F524	F445-P522 VanDerWaalsContact CE2-CD 3.5Å; F445-P522 HydrophobicContact CE2-CG 4Å; F445-P522 HydrophobicContact CZ-CG 4.37Å; P522-F524 HydrophobicContact CG-CD1 4.36Å; P522-F524 HydrophobicContact CG-CE1 3.83Å; P522-F524 HydrophobicContact CG-CE2 4.18Å; P522-F524 HydrophobicContact CG-CZ 3.74Å; P522-F524 WeakPolarHBondContact O-CD2 3.12Å; P522-F524 PolarHBondContact O-N 3.41Å; P522-F524 VanDerWaalsContact O-N 3.12Å
523	D	85.1	Confident	89.7	Confident	113 Å²	113	70.5 Å²	70.5	60%	0.604	39%	0.393	S	S	*	.			trans	-70.6	104.3	168.7	-176.6	1.4	0	0	0	110.3	S525 P527	D523-S525 VanDerWaalsContact C-N 3.26Å; D523-S525 PolarHBondContact O-N 3.43Å; D523-S525 WeakPolarHBondContact OD1-CB 3.45Å; D523-S525 PolarHBondContact OD1-N 2.91Å; D523-S525 PolarHBondContact OD1-OG 3.41Å; D523-S525 PolarHBondContact OD2-OG 2.79Å; D523-S525 VanDerWaalsContact OD2-OG 3.09Å; D523-P527 WeakPolarHBondContact O-CD 3.2Å
524	F	82.9	Confident	89.8	Confident	76 Å²	76	72.8 Å²	72.8	33%	0.333	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-8.8	178.7	-68.4	-70.6	0	0	0	113.7	F445 A449 T521 P522 M526 P527 F528	F445-F524 HydrophobicContact CB-CZ 4Å; F445-F524 HydrophobicContact CD1-CZ 4.19Å; F445-F524 HydrophobicContact CD2-CE1 4.26Å; F445-F524 AromaticContact CD2-CZ 3.8Å; F445-F524 HydrophobicContact CD2-CZ 3.8Å; F445-F524 HydrophobicContact CE2-CZ 4.3Å; F445-F524 HydrophobicContact CG-CE1 4.48Å; F445-F524 AromaticContact CG-CZ 3.73Å; F445-F524 HydrophobicContact CG-CZ 3.73Å; A449-F524 HydrophobicContact CB-CE2 3.49Å; A449-F524 VanDerWaalsContact CB-CE2 3.49Å; A449-F524 HydrophobicContact CB-CZ 3.81Å; T521-F524 HydrophobicContact CG2-CE2 4.37Å; P522-F524 HydrophobicContact CG-CD1 4.36Å; P522-F524 HydrophobicContact CG-CE1 3.83Å; P522-F524 HydrophobicContact CG-CE2 4.18Å; P522-F524 HydrophobicContact CG-CZ 3.74Å; P522-F524 WeakPolarHBondContact O-CD2 3.12Å; P522-F524 PolarHBondContact O-N 3.41Å; P522-F524 VanDerWaalsContact O-N 3.12Å; F524-M526 VanDerWaalsContact C-N 3.33Å; F524-M526 PolarHBondContact O-N 2.87Å; F524-P527 WeakPolarHBondContact O-CD 3.48Å; F524-F528 WeakPolarHBondContact O-CB 3.45Å; F524-F528 PolarHBondContact O-N 2.91Å; F524-F528 VanDerWaalsContact O-N 3.16Å
525	S	86.1	Confident	89.9	Confident	55 Å²	55	74.9 Å²	74.9	39%	0.385	42%	0.422	S	S	.	.	H	α-helix	trans	-66.5	-35.7	178.8	73.1	0	0	0	0	112.1	D523 F528 N529	D523-S525 VanDerWaalsContact C-N 3.26Å; D523-S525 PolarHBondContact O-N 3.43Å; D523-S525 WeakPolarHBondContact OD1-CB 3.45Å; D523-S525 PolarHBondContact OD1-N 2.91Å; D523-S525 PolarHBondContact OD1-OG 3.41Å; D523-S525 PolarHBondContact OD2-OG 2.79Å; D523-S525 VanDerWaalsContact OD2-OG 3.09Å; S525-F528 PolarHBondContact O-N 2.89Å; S525-N529 WeakPolarHBondContact O-CB 2.9Å; S525-N529 PolarHBondContact O-N 2.9Å; S525-N529 PolarHBondContact O-ND2 2.93Å
526	M	86.4	Confident	90	Very high	135 Å²	135	77.2 Å²	77.2	67%	0.665	44%	0.438	S	S	*	.	H	α-helix	trans	-65.1	-52.7	179.5	175.2	-174.9	-178	0	0	112.3	F524 F528 N529 V530	F524-M526 VanDerWaalsContact C-N 3.33Å; F524-M526 PolarHBondContact O-N 2.87Å; M526-F528 VanDerWaalsContact C-N 3.3Å; M526-F528 PolarHBondContact O-N 3.2Å; M526-N529 PolarHBondContact O-N 2.97Å; M526-V530 WeakPolarHBondContact O-CG2 3.43Å; M526-V530 PolarHBondContact O-N 3.27Å; M526-V530 VanDerWaalsContact O-N 3.13Å
527	P	84.7	Confident	90.3	Very high	78 Å²	78	77.7 Å²	77.7	51%	0.506	44%	0.444	S	S	.	.	H	α-helix	trans	-57.9	-38.9	172.2	-26.2	33.6	0	0	0	113.7	D523 F524 V530 L531	D523-P527 WeakPolarHBondContact O-CD 3.2Å; F524-P527 WeakPolarHBondContact O-CD 3.48Å; P527-V530 PolarHBondContact O-N 2.67Å; P527-L531 WeakPolarHBondContact O-CB 3.42Å; P527-L531 PolarHBondContact O-N 3.26Å
528	F	86.4	Confident	90.6	Very high	133 Å²	133	81.9 Å²	81.9	58%	0.583	47%	0.469	S	S	*	.	H	α-helix	trans	-61.1	-47.4	177.7	172.5	-97.1	0	0	0	111.9	F524 S525 M526 V530 L531 C532	F524-F528 WeakPolarHBondContact O-CB 3.45Å; F524-F528 PolarHBondContact O-N 2.91Å; F524-F528 VanDerWaalsContact O-N 3.16Å; S525-F528 PolarHBondContact O-N 2.89Å; M526-F528 VanDerWaalsContact C-N 3.3Å; M526-F528 PolarHBondContact O-N 3.2Å; F528-V530 VanDerWaalsContact C-N 3.33Å; F528-V530 PolarHBondContact O-N 2.94Å; F528-L531 PolarHBondContact O-N 2.74Å; F528-C532 WeakPolarHBondContact O-CB 3.42Å; F528-C532 PolarHBondContact O-N 3.04Å
529	N	91.8	Very high	91	Very high	98 Å²	98	80.5 Å²	80.5	52%	0.524	47%	0.467	S	S	.	.	H	α-helix	trans	-61.4	-42.6	178.8	-70.9	-19.5	0	0	0	111.6	S525 M526 C532 L533	S525-N529 WeakPolarHBondContact O-CB 2.9Å; S525-N529 PolarHBondContact O-N 2.9Å; S525-N529 PolarHBondContact O-ND2 2.93Å; M526-N529 PolarHBondContact O-N 2.97Å; N529-C532 PolarHBondContact O-N 3.13Å; N529-L533 WeakPolarHBondContact O-CB 3.13Å; N529-L533 PolarHBondContact O-N 3.24Å
530	V	93.4	Very high	91.3	Very high	81 Å²	81	84.8 Å²	84.8	49%	0.491	49%	0.494	S	S	.	.	H	α-helix	trans	-63.9	-46.2	176.4	174.7	0	0	0	0	110.9	M526 P527 F528 C532 L533 V534	M526-V530 WeakPolarHBondContact O-CG2 3.43Å; M526-V530 PolarHBondContact O-N 3.27Å; M526-V530 VanDerWaalsContact O-N 3.13Å; P527-V530 PolarHBondContact O-N 2.67Å; F528-V530 VanDerWaalsContact C-N 3.33Å; F528-V530 PolarHBondContact O-N 2.94Å; V530-C532 PolarHBondContact O-N 3.14Å; V530-L533 PolarHBondContact O-N 3.28Å; V530-V534 HydrophobicContact CG1-CG2 4.37Å; V530-V534 VanDerWaalsContact O-CG2 3.31Å; V530-V534 WeakPolarHBondContact O-CG2 3.35Å; V530-V534 PolarHBondContact O-N 2.98Å
531	L	91	Very high	91.7	Very high	115 Å²	115	86.8 Å²	86.8	60%	0.602	51%	0.505	S	S	*	.	H	α-helix	trans	-62.1	-44	179.1	-164.1	105.1	0	0	0	111.2	P527 F528 L533 V534 C535	P527-L531 WeakPolarHBondContact O-CB 3.42Å; P527-L531 PolarHBondContact O-N 3.26Å; F528-L531 PolarHBondContact O-N 2.74Å; L531-L533 PolarHBondContact O-N 3.05Å; L531-V534 PolarHBondContact O-N 2.82Å; L531-C535 VanDerWaalsContact O-CB 3.28Å; L531-C535 WeakPolarHBondContact O-CB 3.32Å; L531-C535 PolarHBondContact O-N 3.45Å; L531-C535 PolarHBondContact O-SG 2.81Å
532	C	94.8	Very high	92.2	Very high	63 Å²	63	90.8 Å²	90.8	43%	0.426	52%	0.518	S	S	.	.	H	α-helix	trans	-62.1	-43.1	178.7	-165.8	0	0	0	0	111.7	F528 N529 V530 S536	F528-C532 WeakPolarHBondContact O-CB 3.42Å; F528-C532 PolarHBondContact O-N 3.04Å; N529-C532 PolarHBondContact O-N 3.13Å; V530-C532 PolarHBondContact O-N 3.14Å; C532-S536 WeakPolarHBondContact O-CB 3.06Å; C532-S536 PolarHBondContact O-N 3.1Å; C532-S536 PolarHBondContact O-OG 3.28Å
533	L	96.4	Very high	92.6	Very high	118 Å²	118	89.5 Å²	89.5	62%	0.618	52%	0.516	S	S	*	.	H	α-helix	trans	-62.1	-50.5	175.4	-176.7	71.9	0	0	0	111.3	N529 V530 L531 S536 V537	N529-L533 WeakPolarHBondContact O-CB 3.13Å; N529-L533 PolarHBondContact O-N 3.24Å; V530-L533 PolarHBondContact O-N 3.28Å; L531-L533 PolarHBondContact O-N 3.05Å; L533-S536 WeakPolarHBondContact O-CB 3.46Å; L533-S536 PolarHBondContact O-N 3.3Å; L533-V537 WeakPolarHBondContact O-CG2 3.27Å; L533-V537 PolarHBondContact O-N 2.9Å
534	V	96.6	Very high	93	Very high	82 Å²	82	87.4 Å²	87.4	50%	0.497	51%	0.51	S	S	.	.	H	α-helix	trans	-63.1	-45.7	-178.7	173.5	0	0	0	0	111	V530 L531 S536 V537 V538	V530-V534 HydrophobicContact CG1-CG2 4.37Å; V530-V534 VanDerWaalsContact O-CG2 3.31Å; V530-V534 WeakPolarHBondContact O-CG2 3.35Å; V530-V534 PolarHBondContact O-N 2.98Å; L531-V534 PolarHBondContact O-N 2.82Å; V534-S536 VanDerWaalsContact C-N 3.29Å; V534-S536 PolarHBondContact O-N 3.02Å; V534-V537 PolarHBondContact O-N 3.3Å; V534-V538 HydrophobicContact CG1-CG2 4.37Å; V534-V538 WeakPolarHBondContact O-CB 3.48Å; V534-V538 VanDerWaalsContact O-CG2 3.29Å; V534-V538 WeakPolarHBondContact O-CG2 3.46Å; V534-V538 PolarHBondContact O-N 2.95Å
535	C	96.9	Very high	93.5	Very high	72 Å²	72	87.7 Å²	87.7	49%	0.486	52%	0.518	S	S	.	.	H	α-helix	trans	-61.2	-38.1	175.8	-72.7	0	0	0	0	112	L531 V538 A539	L531-C535 VanDerWaalsContact O-CB 3.28Å; L531-C535 WeakPolarHBondContact O-CB 3.32Å; L531-C535 PolarHBondContact O-N 3.45Å; L531-C535 PolarHBondContact O-SG 2.81Å; C535-V538 PolarHBondContact O-N 3.09Å; C535-A539 VanDerWaalsContact O-CB 3.22Å; C535-A539 WeakPolarHBondContact O-CB 3.32Å; C535-A539 PolarHBondContact O-N 2.57Å
536	S	96.8	Very high	93.9	Very high	62 Å²	62	89.7 Å²	89.7	43%	0.434	52%	0.521	S	S	.	.	H	α-helix	trans	-65.9	-45	176.5	-60.6	0	0	0	0	111.8	C532 L533 V534 A539 V540	C532-S536 WeakPolarHBondContact O-CB 3.06Å; C532-S536 PolarHBondContact O-N 3.1Å; C532-S536 PolarHBondContact O-OG 3.28Å; L533-S536 WeakPolarHBondContact O-CB 3.46Å; L533-S536 PolarHBondContact O-N 3.3Å; V534-S536 VanDerWaalsContact C-N 3.29Å; V534-S536 PolarHBondContact O-N 3.02Å; S536-A539 PolarHBondContact O-N 3.43Å; S536-V540 VanDerWaalsContact O-CG2 3.32Å; S536-V540 WeakPolarHBondContact O-CG2 3.41Å; S536-V540 PolarHBondContact O-N 2.81Å
537	V	97.2	Very high	94.1	Very high	84 Å²	84	89.8 Å²	89.8	51%	0.509	52%	0.518	S	S	.	.	H	α-helix	trans	-60.9	-47.2	175.9	172	0	0	0	0	110.5	L533 V534 A539 V540 V541	L533-V537 WeakPolarHBondContact O-CG2 3.27Å; L533-V537 PolarHBondContact O-N 2.9Å; V534-V537 PolarHBondContact O-N 3.3Å; V537-A539 VanDerWaalsContact C-N 3.34Å; V537-A539 PolarHBondContact O-N 3.42Å; V537-V540 PolarHBondContact O-N 3.37Å; V537-V541 HydrophobicContact CG1-CG2 4.47Å; V537-V541 WeakPolarHBondContact O-CG2 3.39Å; V537-V541 PolarHBondContact O-N 3.32Å
538	V	96.9	Very high	94.3	Very high	88 Å²	88	88.9 Å²	88.9	53%	0.533	52%	0.517	S	S	.	.	H	α-helix	trans	-61.2	-42.5	177	171.7	0	0	0	0	111.1	V534 C535 V541 F542	V534-V538 HydrophobicContact CG1-CG2 4.37Å; V534-V538 WeakPolarHBondContact O-CB 3.48Å; V534-V538 VanDerWaalsContact O-CG2 3.29Å; V534-V538 WeakPolarHBondContact O-CG2 3.46Å; V534-V538 PolarHBondContact O-N 2.95Å; C535-V538 PolarHBondContact O-N 3.09Å; V538-V541 PolarHBondContact O-N 3.02Å; V538-F542 VanDerWaalsContact O-CB 3.23Å; V538-F542 WeakPolarHBondContact O-CB 3.21Å; V538-F542 PolarHBondContact O-N 2.88Å
539	A	97.2	Very high	94.6	Very high	62 Å²	62	87.6 Å²	87.6	51%	0.512	52%	0.52	S	S	.	.	H	α-helix	trans	-64.7	-39.6	178.1	0	0	0	0	0	112.6	C535 S536 V537 G543	C535-A539 VanDerWaalsContact O-CB 3.22Å; C535-A539 WeakPolarHBondContact O-CB 3.32Å; C535-A539 PolarHBondContact O-N 2.57Å; S536-A539 PolarHBondContact O-N 3.43Å; V537-A539 VanDerWaalsContact C-N 3.34Å; V537-A539 PolarHBondContact O-N 3.42Å; A539-G543 WeakPolarHBondContact O-CA 3.34Å; A539-G543 PolarHBondContact O-N 3.26Å
540	V	96.6	Very high	94.5	Very high	103 Å²	103	86.8 Å²	86.8	62%	0.624	52%	0.519	S	S	*	.	H	α-helix	trans	-67.1	-44.9	175.9	170.3	0	0	0	0	110.9	S536 V537 S544	S536-V540 VanDerWaalsContact O-CG2 3.32Å; S536-V540 WeakPolarHBondContact O-CG2 3.41Å; S536-V540 PolarHBondContact O-N 2.81Å; V537-V540 PolarHBondContact O-N 3.37Å; V540-S544 WeakPolarHBondContact O-CB 3.48Å; V540-S544 PolarHBondContact O-N 3.17Å; V540-S544 PolarHBondContact O-OG 3.02Å
541	V	96.6	Very high	94	Very high	82 Å²	82	85.5 Å²	85.5	50%	0.497	51%	0.512	S	S	.	.	H	α-helix	trans	-65	-51.7	178.6	172.4	0	0	0	0	110.3	V537 V538 G543 S544 V545	V537-V541 HydrophobicContact CG1-CG2 4.47Å; V537-V541 WeakPolarHBondContact O-CG2 3.39Å; V537-V541 PolarHBondContact O-N 3.32Å; V538-V541 PolarHBondContact O-N 3.02Å; V541-G543 PolarHBondContact O-N 3.17Å; V541-S544 PolarHBondContact O-N 3.22Å; V541-S544 PolarHBondContact O-OG 3.33Å; V541-V545 HydrophobicContact CG1-CG2 4.44Å; V541-V545 WeakPolarHBondContact O-CB 3.37Å; V541-V545 VanDerWaalsContact O-CG2 3.28Å; V541-V545 WeakPolarHBondContact O-CG2 3.39Å; V541-V545 PolarHBondContact O-N 2.82Å
542	F	96.1	Very high	93.5	Very high	142 Å²	142	86.1 Å²	86.1	62%	0.623	52%	0.52	S	S	*	.	H	α-helix	trans	-63.2	-44.2	179.2	-174.3	-96.7	0	0	0	111.7	V538 S544 V545 H546	V538-F542 VanDerWaalsContact O-CB 3.23Å; V538-F542 WeakPolarHBondContact O-CB 3.21Å; V538-F542 PolarHBondContact O-N 2.88Å; F542-S544 PolarHBondContact O-N 2.93Å; F542-V545 PolarHBondContact O-N 3.48Å; F542-H546 HydrophobicContact CE1-CB 4.36Å; F542-H546 WeakPolarHBondContact O-CB 2.97Å; F542-H546 PolarHBondContact O-N 3.08Å
543	G	94.9	Very high	92.6	Very high	38 Å²	38	90.4 Å²	90.4	39%	0.392	53%	0.531	S	S	.	.	H	α-helix	trans	-62.8	-40.7	178.1	0	0	0	0	0	113	A539 V541 K547	A539-G543 WeakPolarHBondContact O-CA 3.34Å; A539-G543 PolarHBondContact O-N 3.26Å; V541-G543 PolarHBondContact O-N 3.17Å; G543-K547 WeakPolarHBondContact O-CB 3.42Å; G543-K547 PolarHBondContact O-N 2.8Å
544	S	93.3	Very high	91.6	Very high	68 Å²	68	91.4 Å²	91.4	48%	0.476	54%	0.537	S	S	.	.	H	α-helix	trans	-70.7	-44.5	177.6	59.3	0	0	0	0	112.3	V540 V541 F542 K547 A548	V540-S544 WeakPolarHBondContact O-CB 3.48Å; V540-S544 PolarHBondContact O-N 3.17Å; V540-S544 PolarHBondContact O-OG 3.02Å; V541-S544 PolarHBondContact O-N 3.22Å; V541-S544 PolarHBondContact O-OG 3.33Å; F542-S544 PolarHBondContact O-N 2.93Å; S544-K547 PolarHBondContact O-N 2.88Å; S544-A548 WeakPolarHBondContact O-CB 3.07Å; S544-A548 PolarHBondContact O-N 3.3Å
545	V	94	Very high	90.5	Very high	82 Å²	82	93.2 Å²	93.2	50%	0.497	55%	0.548	S	S	.	.	H	α-helix	trans	-63.8	-49.2	176	172.4	0	0	0	0	110.7	V541 F542 K547 A548 T549	V541-V545 HydrophobicContact CG1-CG2 4.44Å; V541-V545 WeakPolarHBondContact O-CB 3.37Å; V541-V545 VanDerWaalsContact O-CG2 3.28Å; V541-V545 WeakPolarHBondContact O-CG2 3.39Å; V541-V545 PolarHBondContact O-N 2.82Å; F542-V545 PolarHBondContact O-N 3.48Å; V545-K547 VanDerWaalsContact C-N 3.31Å; V545-K547 PolarHBondContact O-N 3.14Å; V545-A548 PolarHBondContact O-N 2.92Å; V545-T549 WeakPolarHBondContact O-CG2 3.32Å; V545-T549 PolarHBondContact O-N 2.88Å; V545-T549 PolarHBondContact O-OG1 3Å; V545-T549 VanDerWaalsContact O-OG1 3.1Å
546	H	93.8	Very high	89.1	Confident	98 Å²	98	95.8 Å²	95.8	45%	0.454	56%	0.562	S	S	.	*	H	α-helix	trans	-59.6	-43.2	178	-177.7	-80.5	0	0	0	111.2	F542 T549 T550	F542-H546 HydrophobicContact CE1-CB 4.36Å; F542-H546 WeakPolarHBondContact O-CB 2.97Å; F542-H546 PolarHBondContact O-N 3.08Å; H546-T549 PolarHBondContact O-N 3.32Å; H546-T549 PolarHBondContact O-OG1 3.43Å; H546-T550 PolarHBondContact ND1-OG1 3.12Å; H546-T550 WeakPolarHBondContact O-CB 3.23Å; H546-T550 WeakPolarHBondContact O-CG2 3.49Å; H546-T550 PolarHBondContact O-N 3.48Å; H546-T550 PolarHBondContact O-OG1 2.81Å
547	K	91	Very high	87.7	Confident	136 Å²	136	100.1 Å²	100.1	59%	0.591	58%	0.579	S	S	*	*	H	α-helix	trans	-61.3	-50.1	175.6	-171.5	177.7	-178	177.5	0	110.7	G543 S544 V545 T549 T550 T551	G543-K547 WeakPolarHBondContact O-CB 3.42Å; G543-K547 PolarHBondContact O-N 2.8Å; S544-K547 PolarHBondContact O-N 2.88Å; V545-K547 VanDerWaalsContact C-N 3.31Å; V545-K547 PolarHBondContact O-N 3.14Å; K547-T549 VanDerWaalsContact C-N 3.25Å; K547-T549 PolarHBondContact O-N 3.42Å; K547-T550 PolarHBondContact O-N 3.35Å; K547-T551 HydrophobicContact CG-CG2 3.55Å; K547-T551 WeakPolarHBondContact O-CB 3.41Å; K547-T551 WeakPolarHBondContact O-CG2 3.49Å; K547-T551 PolarHBondContact O-N 3.41Å; K547-T551 PolarHBondContact O-OG1 3.23Å
548	A	88.6	Confident	85.8	Confident	59 Å²	59	105.5 Å²	105.5	49%	0.488	60%	0.596	S	S	.	*	H	α-helix	trans	-59	-35.1	-179.3	0	0	0	0	0	113.2	S544 V545	S544-A548 WeakPolarHBondContact O-CB 3.07Å; S544-A548 PolarHBondContact O-N 3.3Å; V545-A548 PolarHBondContact O-N 2.92Å
549	T	92.1	Very high	83.6	Confident	107 Å²	107	107.5 Å²	107.5	66%	0.656	60%	0.601	S	S	*	*	H	α-helix	trans	-86.4	-22.7	-179.3	57.2	0	0	0	0	114.2	V545 H546 K547	V545-T549 WeakPolarHBondContact O-CG2 3.32Å; V545-T549 PolarHBondContact O-N 2.88Å; V545-T549 PolarHBondContact O-OG1 3Å; V545-T549 VanDerWaalsContact O-OG1 3.1Å; H546-T549 PolarHBondContact O-N 3.32Å; H546-T549 PolarHBondContact O-OG1 3.43Å; K547-T549 VanDerWaalsContact C-N 3.25Å; K547-T549 PolarHBondContact O-N 3.42Å
550	T	91.1	Very high	81.5	Confident	80 Å²	80	110.5 Å²	110.5	49%	0.491	61%	0.609	S	S	.	*	H	α-helix	trans	-107.9	-20.9	-175.8	59.8	0	0	0	0	114.5	H546 K547 V552	H546-T550 PolarHBondContact ND1-OG1 3.12Å; H546-T550 WeakPolarHBondContact O-CB 3.23Å; H546-T550 WeakPolarHBondContact O-CG2 3.49Å; H546-T550 PolarHBondContact O-N 3.48Å; H546-T550 PolarHBondContact O-OG1 2.81Å; K547-T550 PolarHBondContact O-N 3.35Å; T550-V552 PolarHBondContact O-N 3.34Å
551	T	83.1	Confident	79.5	Confident	55 Å²	55	110.1 Å²	110.1	34%	0.337	62%	0.616	S	S	.	*	S	Bend	trans	-81.3	123	178.8	59	0	0	0	0	111.6	K547 F553	K547-T551 HydrophobicContact CG-CG2 3.55Å; K547-T551 WeakPolarHBondContact O-CB 3.41Å; K547-T551 WeakPolarHBondContact O-CG2 3.49Å; K547-T551 PolarHBondContact O-N 3.41Å; K547-T551 PolarHBondContact O-OG1 3.23Å; T551-F553 PolarHBondContact O-N 3.49Å
552	V	79.7	Confident	77.5	Confident	127 Å²	127	110.9 Å²	110.9	77%	0.77	63%	0.625	S	S	*	*			trans	-69.8	113.9	170.6	-175.7	0	0	0	0	108.8	T550 N554	T550-V552 PolarHBondContact O-N 3.34Å; V552-N554 PolarHBondContact O-N 2.97Å; V552-N554 VanDerWaalsContact O-N 3.12Å
553	F	76	Confident	75.4	Confident	154 Å²	154	109.2 Å²	109.2	68%	0.675	62%	0.623	S	S	*	*			trans	-76.6	95.8	175.8	-70.3	-81.8	0	0	0	110	T551 V555	T551-F553 PolarHBondContact O-N 3.49Å; F553-V555 PolarHBondContact O-N 2.96Å; F553-V555 VanDerWaalsContact O-N 3.1Å
554	N	74.8	Confident	73.7	Confident	139 Å²	139	109 Å²	109	74%	0.743	62%	0.615	S	S	*	*			trans	-77.7	94.1	168	-78.1	-8.4	0	0	0	109.4	V552 T556	V552-N554 PolarHBondContact O-N 2.97Å; V552-N554 VanDerWaalsContact O-N 3.12Å; N554-T556 PolarHBondContact O-N 3.35Å
555	V	74.8	Confident	72	Confident	119 Å²	119	112.2 Å²	112.2	72%	0.721	63%	0.626	S	S	*	*			trans	-67.2	100.1	174.5	-177.9	0	0	0	0	108.6	F553 L557	F553-V555 PolarHBondContact O-N 2.96Å; F553-V555 VanDerWaalsContact O-N 3.1Å; V555-L557 PolarHBondContact O-N 3.25Å
556	T	65.8	Low	70.4	Confident	127 Å²	127	114.7 Å²	114.7	78%	0.779	64%	0.636	S	S	*	*			trans	-79.2	111.7	164.3	46.6	0	0	0	0	107.6	N554 K558	N554-T556 PolarHBondContact O-N 3.35Å; T556-K558 PolarHBondContact O-N 2.99Å; T556-K558 VanDerWaalsContact O-N 3.1Å
557	L	69	Low	68.8	Low	152 Å²	152	113.2 Å²	113.2	80%	0.796	63%	0.634	S	S	*	*			trans	-59	116.5	174.6	-68	170.7	0	0	0	108	V555 M559	V555-L557 PolarHBondContact O-N 3.25Å; L557-M559 VanDerWaalsContact C-N 3.35Å; L557-M559 PolarHBondContact O-N 3.47Å
558	K	55.6	Low	67.3	Low	197 Å²	197	111.9 Å²	111.9	86%	0.857	63%	0.629	S	S	*	*			trans	-60.4	101	166.6	-84.3	-177.4	174.1	178.9	0	107	T556 N560	T556-K558 PolarHBondContact O-N 2.99Å; T556-K558 VanDerWaalsContact O-N 3.1Å; K558-N560 PolarHBondContact O-N 3.46Å; K558-N560 VanDerWaalsContact O-N 3.09Å
559	M	52.6	Low	66.2	Low	131 Å²	131	114.2 Å²	114.2	65%	0.645	63%	0.633	S	S	*	*			trans	-59.3	116	170.3	-90.6	164.9	67.6	0	0	107.8	L557 A561	L557-M559 VanDerWaalsContact C-N 3.35Å; L557-M559 PolarHBondContact O-N 3.47Å; M559-A561 PolarHBondContact O-N 3.13Å
560	N	52.2	Low	65	Low	125 Å²	125	112.5 Å²	112.5	67%	0.668	62%	0.622	S	S	*	*			trans	-52	124.1	174.4	-72.9	-24.9	0	0	0	109	K558 S562 D563	K558-N560 PolarHBondContact O-N 3.46Å; K558-N560 VanDerWaalsContact O-N 3.09Å; N560-S562 PolarHBondContact O-N 2.91Å; N560-D563 PolarHBondContact O-N 3.15Å
561	A	55.4	Low	63.7	Low	94 Å²	94	113.4 Å²	113.4	78%	0.777	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-7.1	-170.6	0	0	0	0	0	114.4	M559	M559-A561 PolarHBondContact O-N 3.13Å
562	S	54.2	Low	62.8	Low	99 Å²	99	120 Å²	120	69%	0.692	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-24.9	-179	55.8	0	0	0	0	114.7	N560	N560-S562 PolarHBondContact O-N 2.91Å
563	D	51	Low	62.2	Low	107 Å²	107	119.3 Å²	119.3	57%	0.572	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-11.5	-177.2	-72.2	-16.7	0	0	0	113.5	N560 L565 T567	N560-D563 PolarHBondContact O-N 3.15Å; D563-L565 PolarHBondContact O-N 2.75Å; D563-T567 WeakPolarHBondContact O-CB 3.3Å; D563-T567 PolarHBondContact O-N 2.02Å; D563-T567 PolarHBondContact O-OG1 2.7Å
564	S	59.2	Low	61.6	Low	33 Å²	33	116.2 Å²	116.2	23%	0.231	62%	0.624	C	S	.	*	H	α-helix	trans	-69.1	-33.9	-169.4	75.7	0	0	0	0	113.7	H568	S564-H568 WeakPolarHBondContact O-CB 3.29Å; S564-H568 PolarHBondContact O-CD2 2.94Å; S564-H568 PolarHBondContact O-N 3.12Å
565	L	58	Low	61	Low	136 Å²	136	112.7 Å²	112.7	71%	0.712	61%	0.61	S	S	*	*	H	α-helix	trans	-74.3	-44.6	-177.9	-78.1	172	0	0	0	112.2	D563 L569	D563-L565 PolarHBondContact O-N 2.75Å; L565-L569 WeakPolarHBondContact O-CB 3.37Å; L565-L569 PolarHBondContact O-N 2.77Å
566	L	59.9	Low	60.2	Low	134 Å²	134	115 Å²	115	70%	0.702	61%	0.611	S	S	*	*	H	α-helix	trans	-71.1	-42.8	-179.8	-111.8	149.5	0	0	0	111.1	L569 V570	L566-L569 PolarHBondContact O-N 2.89Å; L566-V570 WeakPolarHBondContact O-CB 3.41Å; L566-V570 VanDerWaalsContact O-CG2 3.27Å; L566-V570 WeakPolarHBondContact O-CG2 3.16Å; L566-V570 PolarHBondContact O-N 2.98Å
567	T	60.8	Low	59.7	Low	66 Å²	66	116.4 Å²	116.4	41%	0.405	61%	0.606	S	S	.	*	H	α-helix	trans	-70.3	-34.1	175.8	54.1	0	0	0	0	112.9	D563 N571	D563-T567 WeakPolarHBondContact O-CB 3.3Å; D563-T567 PolarHBondContact O-N 2.02Å; D563-T567 PolarHBondContact O-OG1 2.7Å; T567-N571 WeakPolarHBondContact O-CB 3.5Å; T567-N571 VanDerWaalsContact O-CG 3.3Å; T567-N571 PolarHBondContact O-N 3Å
568	H	59.9	Low	59	Low	108 Å²	108	113.8 Å²	113.8	50%	0.5	59%	0.593	S	S	.	*	H	α-helix	trans	-67.6	-37.1	172.4	-90.7	-63	0	0	0	113	S564 R572	S564-H568 WeakPolarHBondContact O-CB 3.29Å; S564-H568 PolarHBondContact O-CD2 2.94Å; S564-H568 PolarHBondContact O-N 3.12Å; H568-R572 WeakPolarHBondContact O-CB 3.44Å; H568-R572 PolarHBondContact O-N 2.83Å
569	L	64.3	Low	58.9	Low	108 Å²	108	108.3 Å²	108.3	57%	0.565	58%	0.576	S	S	*	*	H	α-helix	trans	-66	-47.2	175.5	-103.6	150.2	0	0	0	111.1	L565 L566 N571 R572 I573	L565-L569 WeakPolarHBondContact O-CB 3.37Å; L565-L569 PolarHBondContact O-N 2.77Å; L566-L569 PolarHBondContact O-N 2.89Å; L569-N571 PolarHBondContact O-N 3.32Å; L569-R572 PolarHBondContact O-N 3.21Å; L569-I573 WeakPolarHBondContact O-CG1 3.28Å; L569-I573 PolarHBondContact O-N 2.86Å
570	V	67.8	Low	58.8	Low	71 Å²	71	106.8 Å²	106.8	43%	0.43	58%	0.578	S	S	.	*	H	α-helix	trans	-63.6	-43.4	178	173	0	0	0	0	110.9	L566 R572 I573 L574	L566-V570 WeakPolarHBondContact O-CB 3.41Å; L566-V570 VanDerWaalsContact O-CG2 3.27Å; L566-V570 WeakPolarHBondContact O-CG2 3.16Å; L566-V570 PolarHBondContact O-N 2.98Å; V570-R572 PolarHBondContact O-N 2.9Å; V570-I573 PolarHBondContact O-N 3.34Å; V570-L574 HydrophobicContact CG1-CD1 3.72Å; V570-L574 WeakPolarHBondContact O-CB 3.48Å; V570-L574 WeakPolarHBondContact O-CG 3.27Å; V570-L574 PolarHBondContact O-N 3.39Å
571	N	62.8	Low	58.6	Low	99 Å²	99	107.7 Å²	107.7	53%	0.529	58%	0.576	S	S	.	*	H	α-helix	trans	-69.6	-31.9	178.3	-75.6	-15.8	0	0	0	113.1	T567 L569 S575	T567-N571 WeakPolarHBondContact O-CB 3.5Å; T567-N571 VanDerWaalsContact O-CG 3.3Å; T567-N571 PolarHBondContact O-N 3Å; L569-N571 PolarHBondContact O-N 3.32Å; N571-S575 VanDerWaalsContact O-CB 3.3Å; N571-S575 WeakPolarHBondContact O-CB 3.37Å; N571-S575 PolarHBondContact O-N 2.79Å
572	R	65.4	Low	58.3	Low	193 Å²	193	106.9 Å²	106.9	73%	0.728	56%	0.561	S	S	*	*	H	α-helix	trans	-69.3	-36.1	172.2	-93.8	-174.8	170.9	175.7	-0.8	112.6	H568 L569 V570 K576	H568-R572 WeakPolarHBondContact O-CB 3.44Å; H568-R572 PolarHBondContact O-N 2.83Å; L569-R572 PolarHBondContact O-N 3.21Å; V570-R572 PolarHBondContact O-N 2.9Å; R572-K576 PolarHBondContact O-N 2.61Å
573	I	66.9	Low	57.9	Low	113 Å²	113	110.7 Å²	110.7	58%	0.579	57%	0.57	S	S	*	*	H	α-helix	trans	-70.2	-42.6	176.5	-67	168.6	0	0	0	109.9	L569 V570 K577	L569-I573 WeakPolarHBondContact O-CG1 3.28Å; L569-I573 PolarHBondContact O-N 2.86Å; V570-I573 PolarHBondContact O-N 3.34Å; I573-K577 PolarHBondContact O-N 3.34Å; I573-K577 VanDerWaalsContact O-N 3.16Å
574	L	63	Low	57.7	Low	89 Å²	89	109.9 Å²	109.9	47%	0.466	57%	0.574	S	S	.	*	H	α-helix	trans	-67.9	-39.4	177	-76.1	164.4	0	0	0	112.5	V570 K577 N578	V570-L574 HydrophobicContact CG1-CD1 3.72Å; V570-L574 WeakPolarHBondContact O-CB 3.48Å; V570-L574 WeakPolarHBondContact O-CG 3.27Å; V570-L574 PolarHBondContact O-N 3.39Å; L574-K577 PolarHBondContact O-N 2.89Å; L574-N578 PolarHBondContact O-N 3.19Å
575	S	62.3	Low	57.1	Low	66 Å²	66	115.2 Å²	115.2	46%	0.462	60%	0.595	S	S	.	*	H	α-helix	trans	-68.7	-36.4	179	84.9	0	0	0	0	112.3	N571 K577 N578 T579	N571-S575 VanDerWaalsContact O-CB 3.3Å; N571-S575 WeakPolarHBondContact O-CB 3.37Å; N571-S575 PolarHBondContact O-N 2.79Å; S575-K577 VanDerWaalsContact C-N 3.3Å; S575-K577 PolarHBondContact O-N 3.49Å; S575-N578 PolarHBondContact O-N 3.44Å; S575-T579 PolarHBondContact O-N 2.62Å; S575-T579 PolarHBondContact O-OG1 2.92Å
576	K	58	Low	56.3	Low	167 Å²	167	117.2 Å²	117.2	73%	0.726	60%	0.6	S	S	*	*	H	α-helix	trans	-65	-33.4	172	-83.9	-171.5	173	-174.4	0	112.5	R572	R572-K576 PolarHBondContact O-N 2.61Å
577	K	55.9	Low	55.1	Low	156 Å²	156	118.5 Å²	118.5	68%	0.678	61%	0.608	S	S	*	*	H	α-helix	trans	-72.9	-35.1	175.7	-137.9	176.4	-174.6	179.8	0	112.1	I573 L574 S575	I573-K577 PolarHBondContact O-N 3.34Å; I573-K577 VanDerWaalsContact O-N 3.16Å; L574-K577 PolarHBondContact O-N 2.89Å; S575-K577 VanDerWaalsContact C-N 3.3Å; S575-K577 PolarHBondContact O-N 3.49Å
578	N	53.2	Low	53.7	Low	97 Å²	97	120.9 Å²	120.9	52%	0.519	62%	0.623	S	S	.	*	H	α-helix	trans	-81.3	-31.5	179.7	-80.4	-1.8	0	0	0	113.9	L574 S575 S580 K581 T582	L574-N578 PolarHBondContact O-N 3.19Å; S575-N578 PolarHBondContact O-N 3.44Å; N578-S580 PolarHBondContact O-N 3.49Å; N578-K581 WeakPolarHBondContact O-CA 3.23Å; N578-K581 PolarHBondContact O-N 3.45Å; N578-T582 PolarHBondContact O-N 3.48Å; N578-T582 PolarHBondContact O-OG1 2.87Å; N578-T582 VanDerWaalsContact O-OG1 3.13Å
579	T	53.2	Low	52.5	Low	83 Å²	83	121.5 Å²	121.5	51%	0.509	64%	0.639	S	S	.	*	H	α-helix	trans	-66.4	-28.3	172.1	23.4	0	0	0	0	112.3	S575 K581 M583	S575-T579 PolarHBondContact O-N 2.62Å; S575-T579 PolarHBondContact O-OG1 2.92Å; T579-K581 PolarHBondContact O-N 2.91Å; T579-M583 PolarHBondContact O-N 3.22Å
580	S	51.4	Low	50.8	Low	98 Å²	98	122.7 Å²	122.7	69%	0.685	65%	0.651	S	S	*	*	H	α-helix	trans	-68.5	-18.7	169.2	-176.3	0	0	0	0	113.5	N578	N578-S580 PolarHBondContact O-N 3.49Å
581	K	48.5	Very low	49	Very low	144 Å²	144	125.1 Å²	125.1	63%	0.626	67%	0.671	S	S	*	*	H	α-helix	trans	-97.7	-37.2	177	-84.4	-171.5	170.7	-170.4	0	113	N578 T579 M583 S584	N578-K581 WeakPolarHBondContact O-CA 3.23Å; N578-K581 PolarHBondContact O-N 3.45Å; T579-K581 PolarHBondContact O-N 2.91Å; K581-M583 PolarHBondContact O-N 3.39Å; K581-S584 PolarHBondContact O-N 3.15Å; K581-S584 VanDerWaalsContact O-N 3.11Å; K581-S584 PolarHBondContact O-OG 3.4Å
582	T	48.4	Very low	47.7	Very low	77 Å²	77	125 Å²	125	47%	0.472	68%	0.684	S	S	.	*	H	α-helix	trans	-77.3	-20.5	-176.4	47.5	0	0	0	0	114.1	N578 S584 E585	N578-T582 PolarHBondContact O-N 3.48Å; N578-T582 PolarHBondContact O-OG1 2.87Å; N578-T582 VanDerWaalsContact O-OG1 3.13Å; T582-S584 PolarHBondContact O-N 3.49Å; T582-E585 PolarHBondContact O-N 3.41Å
583	M	47.1	Very low	46.8	Very low	179 Å²	179	122 Å²	122	88%	0.882	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-13.2	166.9	-77.7	-171.7	80.8	0	0	113.4	T579 K581	T579-M583 PolarHBondContact O-N 3.22Å; K581-M583 PolarHBondContact O-N 3.39Å
584	S	46.2	Very low	45.2	Very low	91 Å²	91	120.2 Å²	120.2	64%	0.636	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-13.4	173.7	76.1	0	0	0	0	114.7	K581 T582	K581-S584 PolarHBondContact O-N 3.15Å; K581-S584 VanDerWaalsContact O-N 3.11Å; K581-S584 PolarHBondContact O-OG 3.4Å; T582-S584 PolarHBondContact O-N 3.49Å
585	E	46.6	Very low	43.8	Very low	145 Å²	145	123.8 Å²	123.8	68%	0.678	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	-6.1	-170.6	-78.2	179.7	168.4	0	0	115.4	T582 N587	T582-E585 PolarHBondContact O-N 3.41Å; E585-N587 PolarHBondContact O-N 3.27Å; E585-N587 VanDerWaalsContact O-N 3.15Å
586	Q	41.1	Very low	42.6	Very low	178 Å²	178	129.5 Å²	129.5	83%	0.832	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	16.3	178.6	-114.9	178.7	-9.7	0	0	115.7
587	N	33.4	Very low	41.7	Very low	160 Å²	160	129.2 Å²	129.2	86%	0.856	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	12.1	176.7	-92.9	-3.2	0	0	0	115.1	E585	E585-N587 PolarHBondContact O-N 3.27Å; E585-N587 VanDerWaalsContact O-N 3.15Å
588	T	33.2	Very low	40.8	Very low	117 Å²	117	131.3 Å²	131.3	72%	0.718	75%	0.753	S	S	*	*	S	Bend	trans	-139.8	138	178.3	39.8	0	0	0	0	112.8
589	S	34.9	Very low	39.7	Very low	121 Å²	121	134.1 Å²	134.1	85%	0.846	77%	0.768	S	S	*	*			trans	79	75.9	170.9	71.5	0	0	0	0	118.4
590	T	27.1	Very low	39	Very low	132 Å²	132	141.7 Å²	141.7	81%	0.81	81%	0.805	S	S	*	*			trans	-63	161	138.6	37.1	0	0	0	0	113
591	S	30.8	Very low	38.4	Very low	123 Å²	123	143.9 Å²	143.9	86%	0.86	81%	0.811	S	S	*	*			trans	91.6	132.2	167.9	82.1	0	0	0	0	115.1
592	A	35.4	Very low	37.9	Very low	96 Å²	96	143.8 Å²	143.8	79%	0.793	82%	0.821	S	S	*	*			cis	-163.6	172.5	11	0	0	0	0	0	109.4
593	P	47.1	Very low	37.3	Very low	131 Å²	131	147.6 Å²	147.6	85%	0.851	84%	0.84	S	S	*	*			trans	-102.5	155.9	-154.2	38.5	-32.2	0	0	0	115.2
594	G	32.7	Very low	36.7	Very low	74 Å²	74	145.7 Å²	145.7	76%	0.763	84%	0.838	S	S	*	*			trans	-121	118.3	171.4	0	0	0	0	0	111.7
595	N	33.5	Very low	36.1	Very low	164 Å²	164	149.1 Å²	149.1	88%	0.877	85%	0.85	S	S	*	*			trans	-55.8	133.5	168.3	-91	-21.8	0	0	0	111.2
596	H	36.7	Very low	35.4	Very low	187 Å²	187	149.4 Å²	149.4	87%	0.866	86%	0.862	S	S	*	*			trans	-121.2	118.8	159.3	-98.3	-65.9	0	0	0	109.5
597	D	39.6	Very low	35	Very low	161 Å²	161	147.4 Å²	147.4	86%	0.861	86%	0.864	S	S	*	*			trans	-58.4	134.7	176.3	-78.8	-45.1	0	0	0	111.8
598	K	35.9	Very low	35.1	Very low	200 Å²	200	146.4 Å²	146.4	87%	0.87	86%	0.864	S	S	*	*			trans	-81	114.4	172.3	-73.6	176	173.2	179	0	109.1
599	N	30.3	Very low	35.3	Very low	155 Å²	155	148.8 Å²	148.8	83%	0.829	88%	0.877	S	S	*	*			trans	-126.6	102.4	149.8	-91.6	-16.9	0	0	0	106.3
600	D	39.6	Very low	35.3	Very low	242 Å²	242	151.4 Å²	151.4	100%	1.294	88%	0.879	S	S	*	*			trans	-174.9	0	142.5	-89.2	-16.9	0	0	0	108.8

Retrieved 600 of 600 residues in 611.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).