A0A077Z9H4_TRITR Loading...

VCBS domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9H4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 601 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.3	Very low	46.7	Very low	218 Å²	218	126.2 Å²	126.2	100%	1.074	69%	0.689	S	S	*	*				0	-43.5	0	-123.7	180	153.3	0	0	112.5	Y3 L4	M1-Y3 VanDerWaalsContact C-N 3.32Å; M1-Y3 PolarHBondContact O-N 2.79Å; M1-L4 PolarHBondContact O-N 3.3Å
2	L	47	Very low	46.2	Very low	147 Å²	147	123.9 Å²	123.9	77%	0.77	69%	0.687	S	S	*	*	H	α-helix	trans	-58.4	-34.7	-179.8	-143.1	79.4	0	0	0	115.1	L4 C5	L2-L4 VanDerWaalsContact C-N 3.31Å; L2-L4 PolarHBondContact O-N 3.43Å; L2-C5 PolarHBondContact O-N 3.43Å
3	Y	47.4	Very low	45.6	Very low	215 Å²	215	126.4 Å²	126.4	84%	0.843	70%	0.697	S	S	*	*	H	α-helix	trans	-71.2	-20.6	179.3	-76.4	-79.6	0	0	0	114.6	M1	M1-Y3 VanDerWaalsContact C-N 3.32Å; M1-Y3 PolarHBondContact O-N 2.79Å
4	L	49.1	Very low	45	Very low	131 Å²	131	124.6 Å²	124.6	69%	0.686	70%	0.699	S	S	*	*	H	α-helix	trans	-78.9	-28	177.9	-148.8	82.4	0	0	0	111.5	M1 L2	M1-L4 PolarHBondContact O-N 3.3Å; L2-L4 VanDerWaalsContact C-N 3.31Å; L2-L4 PolarHBondContact O-N 3.43Å
5	C	49.8	Very low	44.6	Very low	91 Å²	91	122.7 Å²	122.7	62%	0.615	70%	0.704	S	S	*	*	H	α-helix	trans	-74.1	-32.5	179.3	-70.3	0	0	0	0	113.1	L2 C9	L2-C5 PolarHBondContact O-N 3.43Å; C5-C9 PolarHBondContact O-N 3.17Å
6	V	54.3	Low	44.3	Very low	93 Å²	93	119.7 Å²	119.7	56%	0.564	70%	0.699	S	S	*	*	H	α-helix	trans	-74.3	-35.1	-178.3	-177.4	0	0	0	0	111.6	L8 C9 C10	V6-L8 VanDerWaalsContact C-N 3.34Å; V6-L8 PolarHBondContact O-N 3.13Å; V6-C9 PolarHBondContact O-N 3.23Å; V6-C10 PolarHBondContact O-N 3.2Å
7	A	50.7	Low	43.9	Very low	64 Å²	64	124.5 Å²	124.5	53%	0.529	71%	0.713	S	S	.	*	H	α-helix	trans	-68	-32.4	177.5	0	0	0	0	0	113
8	L	47.4	Very low	43.5	Very low	119 Å²	119	122.2 Å²	122.2	62%	0.623	70%	0.702	S	S	*	*	H	α-helix	trans	-74.7	-27.3	174.6	-86.7	151.3	0	0	0	112.6	V6	V6-L8 VanDerWaalsContact C-N 3.34Å; V6-L8 PolarHBondContact O-N 3.13Å
9	C	41.9	Very low	43.1	Very low	83 Å²	83	121.3 Å²	121.3	56%	0.561	70%	0.704	S	S	*	*	H	α-helix	trans	-78	-31.5	-178.5	-152	0	0	0	0	112.7	C5 V6 I11 C12	C5-C9 PolarHBondContact O-N 3.17Å; V6-C9 PolarHBondContact O-N 3.23Å; C9-I11 VanDerWaalsContact C-N 3.34Å; C9-I11 PolarHBondContact O-N 3.38Å; C9-C12 PolarHBondContact O-N 3.47Å
10	C	40.3	Very low	43.1	Very low	94 Å²	94	119.8 Å²	119.8	64%	0.635	69%	0.69	S	S	*	*	H	α-helix	trans	-75.1	-17.5	178.6	-74.9	0	0	0	0	114.7	V6 C12	V6-C10 PolarHBondContact O-N 3.2Å; C10-C12 VanDerWaalsContact C-N 3.3Å
11	I	40.9	Very low	43.3	Very low	133 Å²	133	121.8 Å²	121.8	68%	0.682	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-16.1	176.3	-60.7	173.4	0	0	0	111.2	C9	C9-I11 VanDerWaalsContact C-N 3.34Å; C9-I11 PolarHBondContact O-N 3.38Å
12	C	40.3	Very low	43.6	Very low	99 Å²	99	112.9 Å²	112.9	67%	0.669	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-5.8	-177.1	-66.1	0	0	0	0	115.5	C9 C10	C9-C12 PolarHBondContact O-N 3.47Å; C10-C12 VanDerWaalsContact C-N 3.3Å
13	L	38.7	Very low	43.9	Very low	156 Å²	156	113.1 Å²	113.1	82%	0.817	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	10.7	-175.2	-79	164.2	0	0	0	114.9
14	S	37.3	Very low	44.4	Very low	102 Å²	102	105.7 Å²	105.7	71%	0.713	62%	0.616	S	S	*	*			trans	-112.7	48.8	166.3	70.8	0	0	0	0	111.4	A16	S14-A16 PolarHBondContact O-N 3.04Å; S14-A16 VanDerWaalsContact O-N 3.15Å
15	A	39.2	Very low	45.6	Very low	95 Å²	95	103.8 Å²	103.8	79%	0.785	61%	0.606	S	S	*	*			trans	-80.9	74.9	155.4	0	0	0	0	0	107
16	A	39.4	Very low	46.6	Very low	75 Å²	75	101.6 Å²	101.6	62%	0.62	59%	0.589	S	S	*	*			trans	-56.2	140.7	159.7	0	0	0	0	0	107.2	S14 V18	S14-A16 PolarHBondContact O-N 3.04Å; S14-A16 VanDerWaalsContact O-N 3.15Å; A16-V18 PolarHBondContact O-N 3.08Å
17	E	37.5	Very low	47.8	Very low	201 Å²	201	99.4 Å²	99.4	94%	0.939	58%	0.577	S	S	*	*			trans	-57.1	79.3	172.4	-69.6	170.3	157.2	0	0	109.7	S19	E17-S19 PolarHBondContact O-N 3.5Å
18	V	36.1	Very low	49.7	Very low	84 Å²	84	97 Å²	97	51%	0.509	56%	0.555	S	S	.	*			trans	-80.2	101.8	166.7	-170.7	0	0	0	0	104.4	A16 Q20	A16-V18 PolarHBondContact O-N 3.08Å; V18-Q20 HydrophobicContact CB-CG 4.37Å; V18-Q20 HydrophobicContact CG1-CB 3.99Å; V18-Q20 HydrophobicContact CG1-CG 3.54Å; V18-Q20 PolarHBondContact O-N 3.21Å
19	S	36.3	Very low	51.9	Low	105 Å²	105	98.4 Å²	98.4	73%	0.734	55%	0.552	S	S	*	*			trans	-58.7	83.5	155.5	175.6	0	0	0	0	106.9	E17	E17-S19 PolarHBondContact O-N 3.5Å
20	Q	42.8	Very low	54.5	Low	91 Å²	91	94.7 Å²	94.7	43%	0.425	53%	0.527	S	S	.	.			trans	-89.1	111.6	-178.6	-121.1	163.5	118.7	0	0	106.7	V18 E429	V18-Q20 HydrophobicContact CB-CG 4.37Å; V18-Q20 HydrophobicContact CG1-CB 3.99Å; V18-Q20 HydrophobicContact CG1-CG 3.54Å; V18-Q20 PolarHBondContact O-N 3.21Å; Q20-E429 HydrophobicContact CB-CG 4.45Å; Q20-E429 WeakPolarHBondContact CB-OE2 3.47Å; Q20-E429 WeakPolarHBondContact CG-OE2 3.27Å; Q20-E429 PolarHBondContact OE1-OE1 3.07Å; Q20-E429 PolarHBondContact OE1-OE2 2.87Å
21	R	48.3	Very low	57.1	Low	162 Å²	162	93.9 Å²	93.9	61%	0.611	52%	0.52	S	S	*	.			trans	-64.6	153	-178.5	-61.5	178.1	-178.6	-164.5	-4.3	110.8	K23 T383	R21-K23 PolarHBondContact O-N 3.45Å; R21-T383 PolarHBondContact NH1-OG1 3.4Å
22	P	51.5	Low	59.7	Low	31 Å²	31	87.7 Å²	87.7	20%	0.201	49%	0.49	C	S	.	.			trans	-59.4	125.7	169.3	23.4	-30.7	0	0	0	110.3	T24 L427 F428	P22-T24 PolarHBondContact O-N 3.39Å; P22-T24 VanDerWaalsContact O-N 3.08Å; P22-L427 WeakPolarHBondContact CA-O 3.21Å; P22-L427 WeakPolarHBondContact CB-O 3.24Å; P22-F428 HydrophobicContact CG-CE1 4.35Å; P22-F428 HydrophobicContact CG-CZ 4.47Å
23	K	52.6	Low	62.3	Low	151 Å²	151	83.5 Å²	83.5	66%	0.657	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	105.9	166.8	-82.6	179	-176.2	162.8	0	107.6	R21 I25	R21-K23 PolarHBondContact O-N 3.45Å; K23-I25 PolarHBondContact O-N 2.98Å
24	T	57.8	Low	65.1	Low	59 Å²	59	76.1 Å²	76.1	36%	0.362	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	109.3	176.3	-47.2	0	0	0	0	110.1	P22 L385 I424 S425	P22-T24 PolarHBondContact O-N 3.39Å; P22-T24 VanDerWaalsContact O-N 3.08Å; T24-L385 HydrophobicContact CG2-CD1 4.36Å; T24-I424 HydrophobicContact CG2-CB 4.49Å; T24-I424 HydrophobicContact CG2-CG2 2.99Å; T24-S425 WeakPolarHBondContact CA-O 3.28Å
25	I	73.7	Confident	68	Low	91 Å²	91	71.4 Å²	71.4	47%	0.467	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.1	177.4	-59.4	172.7	0	0	0	107.9	K23 T27 S425 L427	K23-I25 PolarHBondContact O-N 2.98Å; I25-T27 PolarHBondContact O-N 3.46Å; I25-T27 VanDerWaalsContact O-N 3.1Å; I25-T27 PolarHBondContact O-OG1 2.93Å; I25-S425 PolarHBondContact N-O 2.99Å; I25-S425 PolarHBondContact O-N 3.25Å; I25-L427 HydrophobicContact CD1-CD1 4.1Å
26	V	72	Confident	70.7	Confident	45 Å²	45	67.3 Å²	67.3	27%	0.273	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	108.4	167.5	176.9	0	0	0	0	107.6	R29 Y386 I422	V26-R29 HydrophobicContact CG1-CG 4.33Å; V26-Y386 HydrophobicContact CG2-CE2 4.18Å; V26-I422 HydrophobicContact CB-CG2 4.42Å; V26-I422 HydrophobicContact CG1-CG2 3.46Å; V26-I422 VanDerWaalsContact CG1-CG2 3.46Å; V26-I422 HydrophobicContact CG2-CG2 4.16Å
27	T	79.5	Confident	73.4	Confident	48 Å²	48	64.4 Å²	64.4	29%	0.294	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-52.7	-172.9	-53.5	0	0	0	0	110.7	I25 L399 F423 S425	I25-T27 PolarHBondContact O-N 3.46Å; I25-T27 VanDerWaalsContact O-N 3.1Å; I25-T27 PolarHBondContact O-OG1 2.93Å; T27-L399 HydrophobicContact CG2-CD2 3.65Å; T27-F423 PolarHBondContact N-O 3.4Å; T27-S425 VanDerWaalsContact OG1-CB 3.23Å; T27-S425 WeakPolarHBondContact OG1-CB 3.39Å
28	T	90.1	Very high	76.1	Confident	14 Å²	14	55.2 Å²	55.2	9%	0.086	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	159.9	-178.5	-150.3	0	0	0	0	113.4	E67 N68 F69 L399 F423	T28-E67 WeakPolarHBondContact CB-O 3.2Å; T28-N68 PolarHBondContact OG1-OD1 2.92Å; T28-F69 HydrophobicContact CG2-CD2 3.96Å; T28-F69 HydrophobicContact CG2-CE2 3.91Å; T28-L399 HydrophobicContact CG2-CD1 4.36Å; T28-F423 HydrophobicContact CG2-CB 3.94Å; T28-F423 HydrophobicContact CG2-CD2 3.54Å; T28-F423 HydrophobicContact CG2-CE2 4.32Å; T28-F423 HydrophobicContact CG2-CG 3.93Å; T28-F423 PolarHBondContact O-N 2.74Å
29	R	93.8	Very high	78.8	Confident	148 Å²	148	52 Å²	52	56%	0.558	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.2	126.1	-179.8	-66.4	-175	177.8	80.7	-1	110	V26 V420 S421 I422	V26-R29 HydrophobicContact CG1-CG 4.33Å; R29-V420 HydrophobicContact CB-CG1 4.14Å; R29-S421 WeakPolarHBondContact CA-O 3.27Å; R29-I422 HydrophobicContact CG-CG1 4.24Å; R29-I422 HydrophobicContact CG-CG2 4.33Å
30	V	95.6	Very high	81.4	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.024	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.2	177.4	179.5	0	0	0	0	108.7	G32 L48 V50 F60 F69 S421 F423	V30-G32 PolarHBondContact O-N 2.89Å; V30-L48 HydrophobicContact CG1-CD1 4.48Å; V30-L48 HydrophobicContact CG2-CD1 4Å; V30-V50 HydrophobicContact CG1-CG1 4.29Å; V30-V50 HydrophobicContact CG1-CG2 3.95Å; V30-F60 HydrophobicContact CG1-CD1 3.84Å; V30-F60 HydrophobicContact CG1-CD2 3.8Å; V30-F60 HydrophobicContact CG1-CE1 3.86Å; V30-F60 HydrophobicContact CG1-CE2 3.83Å; V30-F60 HydrophobicContact CG1-CG 3.8Å; V30-F60 HydrophobicContact CG1-CZ 3.86Å; V30-F69 HydrophobicContact CG2-CB 4.45Å; V30-F69 HydrophobicContact CG2-CD2 3.83Å; V30-F69 HydrophobicContact CG2-CG 4.36Å; V30-S421 PolarHBondContact N-O 3.28Å; V30-S421 PolarHBondContact O-N 2.73Å; V30-F423 HydrophobicContact CB-CE2 4.49Å; V30-F423 HydrophobicContact CG2-CD2 4.46Å; V30-F423 HydrophobicContact CG2-CE2 3.85Å
31	P	94.9	Very high	83.6	Confident	77 Å²	77	45.5 Å²	45.5	50%	0.5	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	126.8	176.5	-20.4	32.1	0	0	0	110.9	V50	P31-V50 WeakPolarHBondContact O-CG1 3.46Å
32	G	95.7	Very high	85.4	Confident	4 Å²	4	39.2 Å²	39.2	4%	0.041	20%	0.202	C	C	.	.	S	Bend	trans	105.4	-175.2	-178.8	0	0	0	0	0	114.4	V30 K51 A419 V420 S421	V30-G32 PolarHBondContact O-N 2.89Å; G32-K51 CarbonylContact C-O 3.59Å; G32-K51 VanDerWaalsContact CA-O 3.24Å; G32-K51 WeakPolarHBondContact CA-O 3.4Å; G32-A419 WeakPolarHBondContact CA-O 3.46Å; G32-A419 PolarHBondContact N-O 3.14Å; G32-V420 CarbonylContact O-C 3.56Å; G32-S421 PolarHBondContact O-N 2.72Å; G32-S421 PolarHBondContact O-OG 3.29Å
33	E	95.6	Very high	87	Confident	10 Å²	10	39.9 Å²	39.9	5%	0.047	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.9	-176.9	178	-179.5	169.9	0	0	109.5	M35 V50 K51 R327 L410 R412 A419 R489	E33-M35 HydrophobicContact CG-SD 4.01Å; E33-M35 PolarHBondContact O-N 3.28Å; E33-V50 CarbonylContact O-C 3.47Å; E33-V50 WeakPolarHBondContact O-CA 3.37Å; E33-K51 HydrophobicContact CB-CB 4.44Å; E33-K51 PolarHBondContact N-O 3.25Å; E33-K51 PolarHBondContact O-N 3.33Å; E33-R327 IonicContact OE1-NH1 2.72Å; E33-L410 HydrophobicContact CB-CD1 3.94Å; E33-L410 HydrophobicContact CG-CD1 4.03Å; E33-L410 HydrophobicContact CG-CD2 3.85Å; E33-R412 IonicContact OE2-NH2 3.85Å; E33-R412 PolarHBondContact OE2-NH2 2.96Å; E33-A419 HydrophobicContact CB-CB 4.18Å; E33-R489 WeakPolarHBondContact OE1-CD 3.44Å; E33-R489 IonicContact OE1-CZ 3.86Å; E33-R489 IonicContact OE1-NE 2.77Å; E33-R489 PolarHBondContact OE1-NE 3.12Å; E33-R489 IonicContact OE1-NH1 3.21Å
34	I	97.4	Very high	88.5	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	127.1	176.7	-65	159.6	0	0	0	109.3	Y37 L48 I49 V50 V408 S421 F423 R489 L491	I34-Y37 HydrophobicContact CG2-CD1 4.23Å; I34-Y37 HydrophobicContact CG2-CE1 3.7Å; I34-L48 HydrophobicContact CD1-CD1 4.09Å; I34-L48 HydrophobicContact CD1-CD2 4.42Å; I34-L48 HydrophobicContact CG1-CD1 4.25Å; I34-I49 CarbonylContact C-O 3.57Å; I34-V50 HydrophobicContact CG1-CG2 4.01Å; I34-V408 HydrophobicContact CD1-CG2 3.74Å; I34-S421 PolarHBondContact N-OG 2.88Å; I34-F423 HydrophobicContact CD1-CE2 3.97Å; I34-F423 HydrophobicContact CD1-CZ 3.6Å; I34-R489 PolarHBondContact O-NE 3.4Å; I34-R489 PolarHBondContact O-NH2 2.03Å; I34-L491 HydrophobicContact CG2-CD2 4.37Å
35	M	97.2	Very high	90	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-36.7	-178.1	-58.4	-55.7	-63.2	0	0	112.4	E33 I49 K51 L57 I85 Q86 V88	E33-M35 HydrophobicContact CG-SD 4.01Å; E33-M35 PolarHBondContact O-N 3.28Å; M35-I49 PolarHBondContact N-O 3.13Å; M35-K51 HydrophobicContact CG-CB 3.65Å; M35-K51 HydrophobicContact SD-CB 3.69Å; M35-K51 HydrophobicContact SD-CD 4.24Å; M35-L57 HydrophobicContact CG-CD2 3.94Å; M35-I85 HydrophobicContact CE-CG2 4.34Å; M35-Q86 WeakPolarHBondContact CE-O 3.42Å; M35-V88 HydrophobicContact CB-CB 3.88Å; M35-V88 HydrophobicContact CB-CG2 3.66Å; M35-V88 HydrophobicContact CG-CG2 4.17Å
36	A	97.2	Very high	90.9	Very high	10 Å²	10	29.6 Å²	29.6	8%	0.083	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	164.8	-178.8	0	0	0	0	0	110.7	I49 V88 V90	A36-I49 HydrophobicContact CB-CB 4.4Å; A36-I49 HydrophobicContact CB-CD1 4.29Å; A36-I49 PolarHBondContact N-O 2.93Å; A36-I49 PolarHBondContact O-N 2.82Å; A36-V88 HydrophobicContact CB-CB 4.23Å; A36-V88 HydrophobicContact CB-CG1 4.21Å; A36-V90 HydrophobicContact CB-CG2 3.89Å
37	Y	96.3	Very high	92	Very high	14 Å²	14	27.5 Å²	27.5	6%	0.055	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.4	177.9	-59.3	-65.4	0	0	0	109.4	I34 T46 D47 L48 F397 L491 L493	I34-Y37 HydrophobicContact CG2-CD1 4.23Å; I34-Y37 HydrophobicContact CG2-CE1 3.7Å; Y37-T46 HydrophobicContact CD1-CG2 4.01Å; Y37-T46 HydrophobicContact CG-CG2 4.13Å; Y37-D47 WeakPolarHBondContact CA-O 3.3Å; Y37-L48 HydrophobicContact CD1-CD2 3.66Å; Y37-L48 HydrophobicContact CE1-CD2 3.74Å; Y37-F397 HydrophobicContact CD1-CD2 4.07Å; Y37-F397 AromaticContact CD1-CE2 3.68Å; Y37-F397 HydrophobicContact CD1-CE2 3.68Å; Y37-F397 AromaticContact CE1-CD2 3.52Å; Y37-F397 HydrophobicContact CE1-CD2 3.52Å; Y37-F397 AromaticContact CE1-CE2 3.56Å; Y37-F397 HydrophobicContact CE1-CE2 3.56Å; Y37-F397 AromaticContact CZ-CD2 3.91Å; Y37-L491 HydrophobicContact CE2-CB 3.89Å; Y37-L491 HydrophobicContact CE2-CD2 4.39Å; Y37-L493 HydrophobicContact CD2-CD2 4.17Å; Y37-L493 HydrophobicContact CE2-CD2 3.92Å
38	V	94.5	Very high	92.8	Very high	8 Å²	8	25.2 Å²	25.2	5%	0.048	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	151.2	-176.8	52.2	0	0	0	0	109.8	I40 D47 I49 V90 P99	V38-I40 HydrophobicContact CB-CG1 4.32Å; V38-I40 HydrophobicContact CG1-CD1 3.56Å; V38-I40 HydrophobicContact CG1-CG1 3.55Å; V38-I40 HydrophobicContact CG2-CG1 3.86Å; V38-D47 PolarHBondContact N-O 2.94Å; V38-D47 VanDerWaalsContact N-O 3.15Å; V38-D47 CarbonylContact O-C 3.59Å; V38-D47 WeakPolarHBondContact O-CA 3.42Å; V38-D47 WeakPolarHBondContact O-CB 3.42Å; V38-D47 PolarHBondContact O-N 3.43Å; V38-I49 HydrophobicContact CG1-CD1 3.7Å; V38-I49 HydrophobicContact CG1-CG1 3.82Å; V38-V90 HydrophobicContact CB-CG1 4.24Å; V38-V90 HydrophobicContact CB-CG2 4.43Å; V38-V90 HydrophobicContact CG2-CG1 3.92Å; V38-P99 HydrophobicContact CG2-CB 3.58Å; V38-P99 HydrophobicContact CG2-CG 3.49Å; V38-P99 VanDerWaalsContact CG2-CG 3.49Å
39	D	91.7	Very high	93.2	Very high	16 Å²	16	24.6 Å²	24.6	9%	0.086	12%	0.119	C	C	.	.			trans	-95.3	98	165.8	170.5	22.2	0	0	0	108.4	F42 N43 R44 C45 S456	D39-F42 WeakPolarHBondContact OD1-CA 3.49Å; D39-F42 PolarHBondContact OD1-N 2.89Å; D39-F42 WeakPolarHBondContact OD2-CA 3.37Å; D39-N43 PolarHBondContact OD1-N 2.89Å; D39-R44 PolarHBondContact OD1-N 2.87Å; D39-R44 WeakPolarHBondContact OD2-CA 3.3Å; D39-R44 PolarHBondContact OD2-N 3.37Å; D39-C45 WeakPolarHBondContact CB-O 3.48Å; D39-S456 WeakPolarHBondContact O-CB 3.49Å; D39-S456 WeakPolarHBondContact OD2-CB 3.35Å; D39-S456 PolarHBondContact OD2-OG 3.25Å
40	I	91.9	Very high	93.4	Very high	6 Å²	6	17.5 Å²	17.5	3%	0.031	9%	0.093	C	C	.	.	S	Bend	trans	-86.3	-33.8	-172.8	-80.1	170.6	0	0	0	111.9	V38 F42 D47 I49 V59 L61 Y75 F125	V38-I40 HydrophobicContact CB-CG1 4.32Å; V38-I40 HydrophobicContact CG1-CD1 3.56Å; V38-I40 HydrophobicContact CG1-CG1 3.55Å; V38-I40 HydrophobicContact CG2-CG1 3.86Å; I40-F42 WeakPolarHBondContact O-CE2 3.44Å; I40-D47 PolarHBondContact N-OD2 2.83Å; I40-I49 HydrophobicContact CD1-CG1 4.32Å; I40-V59 HydrophobicContact CD1-CB 4.23Å; I40-V59 HydrophobicContact CD1-CG1 3.58Å; I40-V59 HydrophobicContact CD1-CG2 3.56Å; I40-L61 HydrophobicContact CB-CD2 4.39Å; I40-L61 HydrophobicContact CG2-CD2 4.45Å; I40-Y75 HydrophobicContact CG2-CD1 4.06Å; I40-Y75 HydrophobicContact CG2-CD2 3.8Å; I40-Y75 HydrophobicContact CG2-CE1 3.77Å; I40-Y75 HydrophobicContact CG2-CE2 3.46Å; I40-Y75 VanDerWaalsContact CG2-CE2 3.46Å; I40-Y75 HydrophobicContact CG2-CG 4.09Å; I40-Y75 VanDerWaalsContact CG2-CZ 3.46Å; I40-F125 HydrophobicContact CD1-CE2 4.15Å; I40-F125 HydrophobicContact CD1-CZ 4.01Å
41	D	88.4	Confident	93.4	Very high	53 Å²	53	18.5 Å²	18.5	28%	0.283	10%	0.096	S	C	.	.	S	Bend	trans	-98.3	8.8	-177.6	74.9	-10.4	0	0	0	113.5	N43 L61	D41-N43 VanDerWaalsContact CG-ND2 3.28Å; D41-N43 PolarHBondContact O-N 3.18Å; D41-N43 VanDerWaalsContact OD1-CB 3.25Å; D41-N43 WeakPolarHBondContact OD1-CB 3.46Å; D41-N43 PolarHBondContact OD1-N 2.89Å; D41-N43 PolarHBondContact OD1-ND2 2.95Å; D41-N43 PolarHBondContact OD1-OD1 3.03Å; D41-N43 PolarHBondContact OD2-ND2 3.19Å; D41-L61 HydrophobicContact CB-CD1 4.5Å; D41-L61 HydrophobicContact CB-CD2 4.28Å
42	F	87	Confident	93.4	Very high	31 Å²	31	17.4 Å²	17.4	14%	0.136	9%	0.089	C	C	.	.	S	Bend	trans	62	25.8	175.6	-51.6	-89.9	0	0	0	113.2	D39 I40 R44 F98 G454 S456	D39-F42 WeakPolarHBondContact OD1-CA 3.49Å; D39-F42 PolarHBondContact OD1-N 2.89Å; D39-F42 WeakPolarHBondContact OD2-CA 3.37Å; I40-F42 WeakPolarHBondContact O-CE2 3.44Å; F42-R44 VanDerWaalsContact C-N 3.34Å; F42-F98 AromaticContact CE2-CD1 3.74Å; F42-F98 HydrophobicContact CE2-CD1 3.74Å; F42-F98 AromaticContact CE2-CE1 3.63Å; F42-F98 HydrophobicContact CE2-CE1 3.63Å; F42-F98 AromaticContact CZ-CD1 3.5Å; F42-F98 HydrophobicContact CZ-CD1 3.5Å; F42-F98 AromaticContact CZ-CE1 3.71Å; F42-F98 HydrophobicContact CZ-CE1 3.71Å; F42-F98 HydrophobicContact CZ-CG 4.35Å; F42-G454 WeakPolarHBondContact CD1-O 3.16Å; F42-G454 VanDerWaalsContact CE1-O 3.3Å; F42-G454 WeakPolarHBondContact CE1-O 3.45Å; F42-S456 VanDerWaalsContact CD1-CB 3.47Å; F42-S456 WeakPolarHBondContact CD1-OG 3.32Å
43	N	84.8	Confident	93.2	Very high	44 Å²	44	19.3 Å²	19.3	24%	0.235	10%	0.104	C	C	.	.	S	Bend	trans	-89.8	-1.8	-178.8	80	18.5	0	0	0	112.8	D39 D41 C45	D39-N43 PolarHBondContact OD1-N 2.89Å; D41-N43 VanDerWaalsContact CG-ND2 3.28Å; D41-N43 PolarHBondContact O-N 3.18Å; D41-N43 VanDerWaalsContact OD1-CB 3.25Å; D41-N43 WeakPolarHBondContact OD1-CB 3.46Å; D41-N43 PolarHBondContact OD1-N 2.89Å; D41-N43 PolarHBondContact OD1-ND2 2.95Å; D41-N43 PolarHBondContact OD1-OD1 3.03Å; D41-N43 PolarHBondContact OD2-ND2 3.19Å; N43-C45 PolarHBondContact O-N 2.99Å; N43-C45 WeakPolarHBondContact OD1-CA 3.47Å; N43-C45 WeakPolarHBondContact OD1-CB 3.24Å; N43-C45 PolarHBondContact OD1-N 3.43Å; N43-C45 PolarHBondContact OD1-SG 3.42Å
44	R	84.4	Confident	93.1	Very high	76 Å²	76	23.4 Å²	23.4	29%	0.287	12%	0.123	S	C	.	.	S	Bend	trans	68.2	20.4	178.8	-46.2	167.9	-172.5	-155.6	-6.6	114	D39 F42 Y534 Y551	D39-R44 PolarHBondContact OD1-N 2.87Å; D39-R44 WeakPolarHBondContact OD2-CA 3.3Å; D39-R44 PolarHBondContact OD2-N 3.37Å; F42-R44 VanDerWaalsContact C-N 3.34Å; R44-Y534 VanDerWaalsContact CZ-OH 3.29Å; R44-Y534 PolarHBondContact NH1-OH 3.09Å; R44-Y534 PolarHBondContact NH2-OH 2.85Å; R44-Y551 VanDerWaalsContact NH1-CD2 3.32Å
45	C	87.8	Confident	92.9	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.034	13%	0.125	C	C	.	.	S	Bend	trans	-104.4	149.1	167	-48.4	0	0	0	0	107.9	D39 N43 D47 A62 M553	D39-C45 WeakPolarHBondContact CB-O 3.48Å; N43-C45 PolarHBondContact O-N 2.99Å; N43-C45 WeakPolarHBondContact OD1-CA 3.47Å; N43-C45 WeakPolarHBondContact OD1-CB 3.24Å; N43-C45 PolarHBondContact OD1-N 3.43Å; N43-C45 PolarHBondContact OD1-SG 3.42Å; C45-D47 PolarHBondContact O-N 2.95Å; C45-A62 HydrophobicContact CB-CB 3.53Å; C45-M553 HydrophobicContact CB-CE 4.34Å; C45-M553 WeakPolarHBondContact SG-CE 3.31Å
46	T	92.8	Very high	92.9	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.031	13%	0.133	C	C	.	.			trans	-81.7	106.2	179.1	-61.3	0	0	0	0	110.9	Y37 F397 P494 Y495	Y37-T46 HydrophobicContact CD1-CG2 4.01Å; Y37-T46 HydrophobicContact CG-CG2 4.13Å; T46-F397 HydrophobicContact CG2-CE2 3.75Å; T46-F397 HydrophobicContact CG2-CZ 4.09Å; T46-P494 HydrophobicContact CG2-CG 3.76Å; T46-Y495 HydrophobicContact CG2-CE1 4.38Å; T46-Y495 VanDerWaalsContact OG1-CE1 3.25Å; T46-Y495 WeakPolarHBondContact OG1-CE1 3.22Å
47	D	94.7	Very high	92.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	166.5	171.5	-50.4	-43.7	0	0	0	111.7	Y37 V38 I40 C45 F60 L61 A62	Y37-D47 WeakPolarHBondContact CA-O 3.3Å; V38-D47 PolarHBondContact N-O 2.94Å; V38-D47 VanDerWaalsContact N-O 3.15Å; V38-D47 CarbonylContact O-C 3.59Å; V38-D47 WeakPolarHBondContact O-CA 3.42Å; V38-D47 WeakPolarHBondContact O-CB 3.42Å; V38-D47 PolarHBondContact O-N 3.43Å; I40-D47 PolarHBondContact N-OD2 2.83Å; C45-D47 PolarHBondContact O-N 2.95Å; D47-F60 WeakPolarHBondContact CB-O 3.37Å; D47-L61 HydrophobicContact CB-CD2 4.25Å; D47-L61 WeakPolarHBondContact OD1-CA 3.28Å; D47-L61 VanDerWaalsContact OD2-CD2 3.28Å; D47-L61 WeakPolarHBondContact OD2-CD2 3.03Å; D47-A62 PolarHBondContact OD1-N 3.37Å
48	L	97.2	Very high	92.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.2	-175.4	-43.5	174.7	0	0	0	111	V30 I34 Y37 V50 V59 F60 F69 F397 F423	V30-L48 HydrophobicContact CG1-CD1 4.48Å; V30-L48 HydrophobicContact CG2-CD1 4Å; I34-L48 HydrophobicContact CD1-CD1 4.09Å; I34-L48 HydrophobicContact CD1-CD2 4.42Å; I34-L48 HydrophobicContact CG1-CD1 4.25Å; Y37-L48 HydrophobicContact CD1-CD2 3.66Å; Y37-L48 HydrophobicContact CE1-CD2 3.74Å; L48-V50 HydrophobicContact CB-CG2 3.73Å; L48-V59 CarbonylContact O-C 3.54Å; L48-V59 WeakPolarHBondContact O-CA 3.35Å; L48-F60 HydrophobicContact CB-CB 4.24Å; L48-F60 HydrophobicContact CD1-CB 4.48Å; L48-F60 PolarHBondContact N-O 3.32Å; L48-F60 PolarHBondContact O-N 3.49Å; L48-F69 HydrophobicContact CD1-CD1 3.74Å; L48-F69 HydrophobicContact CD1-CD2 4Å; L48-F69 HydrophobicContact CD1-CE1 3.67Å; L48-F69 HydrophobicContact CD1-CE2 3.94Å; L48-F69 HydrophobicContact CD1-CG 3.92Å; L48-F69 HydrophobicContact CD1-CZ 3.78Å; L48-F69 HydrophobicContact CD2-CE1 3.99Å; L48-F69 HydrophobicContact CD2-CZ 4.24Å; L48-F69 HydrophobicContact CG-CD1 3.82Å; L48-F69 HydrophobicContact CG-CE1 3.61Å; L48-F69 HydrophobicContact CG-CG 4.49Å; L48-F69 HydrophobicContact CG-CZ 4.11Å; L48-F397 HydrophobicContact CD2-CE2 4.18Å; L48-F397 HydrophobicContact CD2-CZ 4.31Å; L48-F423 HydrophobicContact CD1-CE2 3.97Å; L48-F423 HydrophobicContact CD1-CZ 3.64Å; L48-F423 HydrophobicContact CD2-CZ 4.23Å
49	I	97.7	Very high	93	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.4	163.1	-61.6	172	0	0	0	107.7	I34 M35 A36 V38 I40 L57 V59 V88 V90 L101	I34-I49 CarbonylContact C-O 3.57Å; M35-I49 PolarHBondContact N-O 3.13Å; A36-I49 HydrophobicContact CB-CB 4.4Å; A36-I49 HydrophobicContact CB-CD1 4.29Å; A36-I49 PolarHBondContact N-O 2.93Å; A36-I49 PolarHBondContact O-N 2.82Å; V38-I49 HydrophobicContact CG1-CD1 3.7Å; V38-I49 HydrophobicContact CG1-CG1 3.82Å; I40-I49 HydrophobicContact CD1-CG1 4.32Å; I49-L57 HydrophobicContact CG2-CB 4.19Å; I49-L57 HydrophobicContact CG2-CD1 4.04Å; I49-L57 HydrophobicContact CG2-CD2 4.21Å; I49-L57 HydrophobicContact CG2-CG 4.37Å; I49-V59 HydrophobicContact CG1-CG2 4.42Å; I49-V88 HydrophobicContact CD1-CG1 4.3Å; I49-V88 HydrophobicContact CG2-CG1 4.35Å; I49-V88 HydrophobicContact CG2-CG2 4.46Å; I49-V90 HydrophobicContact CD1-CG2 3.88Å; I49-L101 HydrophobicContact CD1-CD1 4.23Å; I49-L101 HydrophobicContact CD1-CD2 3.34Å; I49-L101 HydrophobicContact CD1-CG 4.44Å
50	V	98.2	Very high	93.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.7	-167.8	-175.5	0	0	0	0	111.3	V30 P31 E33 I34 L48 T52 L57 Y58 F60	V30-V50 HydrophobicContact CG1-CG1 4.29Å; V30-V50 HydrophobicContact CG1-CG2 3.95Å; P31-V50 WeakPolarHBondContact O-CG1 3.46Å; E33-V50 CarbonylContact O-C 3.47Å; E33-V50 WeakPolarHBondContact O-CA 3.37Å; I34-V50 HydrophobicContact CG1-CG2 4.01Å; L48-V50 HydrophobicContact CB-CG2 3.73Å; V50-T52 HydrophobicContact CG1-CG2 4.28Å; V50-T52 PolarHBondContact O-N 3.41Å; V50-L57 CarbonylContact O-C 2.97Å; V50-L57 WeakPolarHBondContact O-CA 3.5Å; V50-Y58 PolarHBondContact N-O 2.95Å; V50-Y58 PolarHBondContact O-N 3.46Å; V50-F60 HydrophobicContact CB-CD2 3.8Å; V50-F60 HydrophobicContact CB-CE2 3.82Å; V50-F60 HydrophobicContact CG1-CE2 4.19Å; V50-F60 HydrophobicContact CG2-CD2 3.53Å; V50-F60 HydrophobicContact CG2-CE2 4Å; V50-F60 HydrophobicContact CG2-CG 4.41Å
51	K	96.8	Very high	93.4	Very high	24 Å²	24	27.5 Å²	27.5	10%	0.104	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	109.4	169.7	-177.3	-173.4	178.4	-175.3	0	109.7	G32 E33 M35 A53 H54 M56 L57 D84 I85	G32-K51 CarbonylContact C-O 3.59Å; G32-K51 VanDerWaalsContact CA-O 3.24Å; G32-K51 WeakPolarHBondContact CA-O 3.4Å; E33-K51 HydrophobicContact CB-CB 4.44Å; E33-K51 PolarHBondContact N-O 3.25Å; E33-K51 PolarHBondContact O-N 3.33Å; M35-K51 HydrophobicContact CG-CB 3.65Å; M35-K51 HydrophobicContact SD-CB 3.69Å; M35-K51 HydrophobicContact SD-CD 4.24Å; K51-A53 VanDerWaalsContact CG-O 3.24Å; K51-A53 WeakPolarHBondContact CG-O 3.37Å; K51-H54 WeakPolarHBondContact CE-O 3.38Å; K51-M56 WeakPolarHBondContact CA-O 3.34Å; K51-L57 HydrophobicContact CB-CD2 3.93Å; K51-D84 WeakPolarHBondContact CE-OD1 3.48Å; K51-D84 IonicContact NZ-OD1 3.02Å; K51-D84 PolarHBondContact NZ-OD1 3.19Å; K51-D84 IonicContact NZ-OD2 3.14Å; K51-I85 HydrophobicContact CD-CB 4.31Å; K51-I85 WeakPolarHBondContact CD-O 3.28Å; K51-I85 VanDerWaalsContact CE-O 3.31Å; K51-I85 WeakPolarHBondContact CE-O 3.29Å; K51-I85 PolarHBondContact NZ-O 2.91Å
52	T	93.3	Very high	93.6	Very high	55 Å²	55	25.3 Å²	25.3	34%	0.337	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-25.7	-179.8	60.3	0	0	0	0	112.9	V50 M56 Y58 F60	V50-T52 HydrophobicContact CG1-CG2 4.28Å; V50-T52 PolarHBondContact O-N 3.41Å; T52-M56 PolarHBondContact N-O 3.39Å; T52-M56 VanDerWaalsContact N-O 3.16Å; T52-Y58 HydrophobicContact CG2-CD2 3.5Å; T52-Y58 HydrophobicContact CG2-CE2 4.25Å; T52-Y58 HydrophobicContact CG2-CG 4.37Å; T52-Y58 WeakPolarHBondContact OG1-CD2 3.43Å; T52-Y58 WeakPolarHBondContact OG1-CE2 3.02Å; T52-F60 HydrophobicContact CG2-CE2 4.45Å
53	A	92.6	Very high	93.7	Very high	43 Å²	43	26.6 Å²	26.6	36%	0.355	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	167.7	171.7	0	0	0	0	0	109	K51 S55 M56	K51-A53 VanDerWaalsContact CG-O 3.24Å; K51-A53 WeakPolarHBondContact CG-O 3.37Å; A53-S55 VanDerWaalsContact C-N 3.27Å; A53-S55 PolarHBondContact O-N 3.17Å; A53-S55 VanDerWaalsContact O-N 3.13Å; A53-M56 HydrophobicContact CB-CB 4.06Å; A53-M56 HydrophobicContact CB-CG 4.13Å; A53-M56 PolarHBondContact O-N 3.27Å; A53-M56 VanDerWaalsContact O-N 3.16Å
54	H	92.2	Very high	93.3	Very high	97 Å²	97	29.7 Å²	29.7	45%	0.449	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-41	-174.7	68.3	148.8	0	0	0	114.5	K51 P81 D84 I85	K51-H54 WeakPolarHBondContact CE-O 3.38Å; H54-P81 PolarHBondContact CE1-O 3.4Å; H54-D84 WeakPolarHBondContact CA-OD1 3.41Å; H54-D84 HydrophobicContact CB-CB 4.33Å; H54-D84 VanDerWaalsContact CB-OD1 3.26Å; H54-D84 WeakPolarHBondContact CB-OD1 3.18Å; H54-D84 CarbonylContact O-C 3.46Å; H54-D84 WeakPolarHBondContact O-CA 2.96Å; H54-I85 PolarHBondContact O-N 2.7Å
55	S	94.3	Very high	92.8	Very high	8 Å²	8	28.5 Å²	28.5	6%	0.056	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	13.6	-178.2	69.8	0	0	0	0	114.5	A53 L79 Y83	A53-S55 VanDerWaalsContact C-N 3.27Å; A53-S55 PolarHBondContact O-N 3.17Å; A53-S55 VanDerWaalsContact O-N 3.13Å; S55-L79 PolarHBondContact O-N 2.96Å; S55-Y83 WeakPolarHBondContact CA-O 3.35Å; S55-Y83 VanDerWaalsContact CB-O 3.26Å; S55-Y83 WeakPolarHBondContact CB-O 3.44Å
56	M	96.2	Very high	92.2	Very high	37 Å²	37	28.5 Å²	28.5	18%	0.182	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.4	-170.3	-62.7	-65.3	-62	0	0	112.6	K51 T52 A53 T76 V77 S78	K51-M56 WeakPolarHBondContact CA-O 3.34Å; T52-M56 PolarHBondContact N-O 3.39Å; T52-M56 VanDerWaalsContact N-O 3.16Å; A53-M56 HydrophobicContact CB-CB 4.06Å; A53-M56 HydrophobicContact CB-CG 4.13Å; A53-M56 PolarHBondContact O-N 3.27Å; A53-M56 VanDerWaalsContact O-N 3.16Å; M56-T76 HydrophobicContact CE-CG2 3.6Å; M56-V77 WeakPolarHBondContact CA-O 3.34Å; M56-S78 WeakPolarHBondContact SD-CB 3.42Å; M56-S78 PolarHBondContact SD-OG 2.87Å
57	L	97.7	Very high	91.5	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.2	167.6	-55.3	169.7	0	0	0	110.1	M35 I49 V50 K51 V77 I85 V88 L101 I103	M35-L57 HydrophobicContact CG-CD2 3.94Å; I49-L57 HydrophobicContact CG2-CB 4.19Å; I49-L57 HydrophobicContact CG2-CD1 4.04Å; I49-L57 HydrophobicContact CG2-CD2 4.21Å; I49-L57 HydrophobicContact CG2-CG 4.37Å; V50-L57 CarbonylContact O-C 2.97Å; V50-L57 WeakPolarHBondContact O-CA 3.5Å; K51-L57 HydrophobicContact CB-CD2 3.93Å; L57-V77 HydrophobicContact CB-CB 4.17Å; L57-V77 HydrophobicContact CD1-CB 4.39Å; L57-V77 HydrophobicContact CD1-CG1 4.42Å; L57-V77 PolarHBondContact N-O 3.22Å; L57-V77 PolarHBondContact O-N 3.28Å; L57-I85 HydrophobicContact CD1-CD1 4.13Å; L57-I85 HydrophobicContact CD2-CD1 3.97Å; L57-I85 HydrophobicContact CD2-CG2 4.19Å; L57-I85 HydrophobicContact CG-CD1 3.65Å; L57-V88 HydrophobicContact CD1-CG2 3.6Å; L57-V88 HydrophobicContact CD2-CG2 4.06Å; L57-V88 HydrophobicContact CG-CG2 4.49Å; L57-L101 HydrophobicContact CD1-CD1 4.48Å; L57-I103 HydrophobicContact CD1-CD1 3.74Å; L57-I103 HydrophobicContact CD1-CG1 4.33Å
58	Y	97.2	Very high	91.3	Very high	56 Å²	56	33.9 Å²	33.9	22%	0.22	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	149.5	165.1	-72.4	-82.7	0	0	0	110	V50 T52 Q71 H73 T76	V50-Y58 PolarHBondContact N-O 2.95Å; V50-Y58 PolarHBondContact O-N 3.46Å; T52-Y58 HydrophobicContact CG2-CD2 3.5Å; T52-Y58 HydrophobicContact CG2-CE2 4.25Å; T52-Y58 HydrophobicContact CG2-CG 4.37Å; T52-Y58 WeakPolarHBondContact OG1-CD2 3.43Å; T52-Y58 WeakPolarHBondContact OG1-CE2 3.02Å; Y58-Q71 HydrophobicContact CD1-CG 4.3Å; Y58-H73 AromaticContact CE1-ND1 3.9Å; Y58-T76 HydrophobicContact CD1-CG2 3.84Å; Y58-T76 VanDerWaalsContact CD1-OG1 3.23Å; Y58-T76 WeakPolarHBondContact CD1-OG1 3.43Å; Y58-T76 HydrophobicContact CE1-CG2 3.52Å; Y58-T76 WeakPolarHBondContact CE1-OG1 3.25Å
59	V	97	Very high	91.1	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	135.8	169.5	175.2	0	0	0	0	109.3	I40 L48 I49 L61 A72 Y75 F125	I40-V59 HydrophobicContact CD1-CB 4.23Å; I40-V59 HydrophobicContact CD1-CG1 3.58Å; I40-V59 HydrophobicContact CD1-CG2 3.56Å; L48-V59 CarbonylContact O-C 3.54Å; L48-V59 WeakPolarHBondContact O-CA 3.35Å; I49-V59 HydrophobicContact CG1-CG2 4.42Å; V59-L61 HydrophobicContact CG1-CD2 3.77Å; V59-L61 HydrophobicContact CG1-CG 4.42Å; V59-A72 HydrophobicContact CG1-CB 4.48Å; V59-A72 PolarHBondContact O-N 2.8Å; V59-Y75 HydrophobicContact CB-CD2 4.46Å; V59-Y75 HydrophobicContact CG1-CD2 4.39Å; V59-Y75 VanDerWaalsContact CG2-CB 3.46Å; V59-Y75 HydrophobicContact CG2-CG 4.36Å; V59-F125 HydrophobicContact CG2-CE2 4Å
60	F	97	Very high	91	Very high	11 Å²	11	38.7 Å²	38.7	5%	0.048	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	110	172.3	-73.9	-98.1	0	0	0	107.8	V30 D47 L48 V50 T52 F69 T70 Q71	V30-F60 HydrophobicContact CG1-CD1 3.84Å; V30-F60 HydrophobicContact CG1-CD2 3.8Å; V30-F60 HydrophobicContact CG1-CE1 3.86Å; V30-F60 HydrophobicContact CG1-CE2 3.83Å; V30-F60 HydrophobicContact CG1-CG 3.8Å; V30-F60 HydrophobicContact CG1-CZ 3.86Å; D47-F60 WeakPolarHBondContact CB-O 3.37Å; L48-F60 HydrophobicContact CB-CB 4.24Å; L48-F60 HydrophobicContact CD1-CB 4.48Å; L48-F60 PolarHBondContact N-O 3.32Å; L48-F60 PolarHBondContact O-N 3.49Å; V50-F60 HydrophobicContact CB-CD2 3.8Å; V50-F60 HydrophobicContact CB-CE2 3.82Å; V50-F60 HydrophobicContact CG1-CE2 4.19Å; V50-F60 HydrophobicContact CG2-CD2 3.53Å; V50-F60 HydrophobicContact CG2-CE2 4Å; V50-F60 HydrophobicContact CG2-CG 4.41Å; T52-F60 HydrophobicContact CG2-CE2 4.45Å; F60-F69 HydrophobicContact CB-CB 3.89Å; F60-F69 HydrophobicContact CD1-CB 4.42Å; F60-T70 WeakPolarHBondContact CA-O 3.34Å; F60-Q71 HydrophobicContact CD1-CB 3.94Å; F60-Q71 HydrophobicContact CD1-CG 4.49Å; F60-Q71 HydrophobicContact CE1-CB 3.71Å; F60-Q71 HydrophobicContact CE1-CG 4.09Å; F60-Q71 HydrophobicContact CE2-CG 4.47Å; F60-Q71 HydrophobicContact CZ-CB 4.22Å; F60-Q71 HydrophobicContact CZ-CG 4.08Å
61	L	95	Very high	90.9	Very high	26 Å²	26	41.9 Å²	41.9	14%	0.136	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	134.3	-179.7	-58.3	176.8	0	0	0	109.7	I40 D41 D47 V59 F69 T70 A72	I40-L61 HydrophobicContact CB-CD2 4.39Å; I40-L61 HydrophobicContact CG2-CD2 4.45Å; D41-L61 HydrophobicContact CB-CD1 4.5Å; D41-L61 HydrophobicContact CB-CD2 4.28Å; D47-L61 HydrophobicContact CB-CD2 4.25Å; D47-L61 WeakPolarHBondContact OD1-CA 3.28Å; D47-L61 VanDerWaalsContact OD2-CD2 3.28Å; D47-L61 WeakPolarHBondContact OD2-CD2 3.03Å; V59-L61 HydrophobicContact CG1-CD2 3.77Å; V59-L61 HydrophobicContact CG1-CG 4.42Å; L61-F69 CarbonylContact O-C 3.54Å; L61-F69 WeakPolarHBondContact O-CA 3.47Å; L61-T70 PolarHBondContact N-O 2.91Å; L61-T70 PolarHBondContact O-N 3.46Å; L61-A72 HydrophobicContact CD1-CB 3.73Å; L61-A72 HydrophobicContact CD2-CB 4.4Å; L61-A72 HydrophobicContact CG-CB 3.73Å
62	A	92.6	Very high	90.8	Very high	7 Å²	7	41.3 Å²	41.3	6%	0.058	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	131.4	173.5	0	0	0	0	0	110	C45 D47 F69	C45-A62 HydrophobicContact CB-CB 3.53Å; D47-A62 PolarHBondContact OD1-N 3.37Å; A62-F69 HydrophobicContact CB-CD1 4Å; A62-F69 HydrophobicContact CB-CE1 3.87Å
63	E	88.3	Confident	90.8	Very high	59 Å²	59	44.8 Å²	44.8	28%	0.276	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-72.7	154.9	174.6	-69.7	-179.5	-165.5	0	0	110.5	D65 G66 N68 T70	E63-D65 PolarHBondContact O-N 3.3Å; E63-G66 WeakPolarHBondContact O-CA 3.43Å; E63-G66 PolarHBondContact O-N 3.46Å; E63-N68 WeakPolarHBondContact CB-O 3.07Å; E63-N68 HydrophobicContact CG-CB 4.37Å; E63-N68 PolarHBondContact N-O 3.42Å; E63-T70 PolarHBondContact OE1-OG1 2.92Å
64	P	75.7	Confident	90.8	Very high	109 Å²	109	49.3 Å²	49.3	71%	0.708	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-17.8	-175.6	-27.1	35.3	0	0	0	116
65	D	73.6	Confident	90.9	Very high	50 Å²	50	45 Å²	45	27%	0.267	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.7	173	69	-2.3	0	0	0	113.4	E63 E67 K556	E63-D65 PolarHBondContact O-N 3.3Å; D65-E67 PolarHBondContact O-N 2.96Å; D65-E67 VanDerWaalsContact O-N 3.16Å; D65-E67 PolarHBondContact OD1-N 3.26Å; D65-E67 VanDerWaalsContact OD1-N 3.12Å; D65-K556 WeakPolarHBondContact OD2-CE 3.37Å; D65-K556 IonicContact OD2-NZ 3.76Å; D65-K556 PolarHBondContact OD2-NZ 2.99Å
66	G	75.2	Confident	91	Very high	5 Å²	5	46.6 Å²	46.6	5%	0.052	24%	0.236	C	C	.	.	S	Bend	trans	63.8	8.5	-179.3	0	0	0	0	0	114.9	E63 L399 M400	E63-G66 WeakPolarHBondContact O-CA 3.43Å; E63-G66 PolarHBondContact O-N 3.46Å; G66-L399 WeakPolarHBondContact O-CD1 3.32Å; G66-M400 WeakPolarHBondContact O-CA 3.09Å; G66-M400 PolarHBondContact O-N 3.4Å
67	E	79.8	Confident	90.9	Very high	54 Å²	54	45 Å²	45	25%	0.252	23%	0.228	S	C	.	.	S	Bend	trans	-83.4	-30.2	-178.2	-77.1	179.8	-159.1	0	0	112.7	T28 D65 M400 K556	T28-E67 WeakPolarHBondContact CB-O 3.2Å; D65-E67 PolarHBondContact O-N 2.96Å; D65-E67 VanDerWaalsContact O-N 3.16Å; D65-E67 PolarHBondContact OD1-N 3.26Å; D65-E67 VanDerWaalsContact OD1-N 3.12Å; E67-M400 HydrophobicContact CB-CG 4.39Å; E67-M400 HydrophobicContact CG-CE 3.74Å; E67-M400 HydrophobicContact CG-CG 3.56Å; E67-M400 HydrophobicContact CG-SD 3.73Å; E67-M400 WeakPolarHBondContact OE1-CE 3.39Å; E67-K556 IonicContact OE1-NZ 3.68Å; E67-K556 PolarHBondContact OE1-NZ 3.49Å; E67-K556 IonicContact OE2-NZ 3.71Å; E67-K556 PolarHBondContact OE2-NZ 2.84Å
68	N	88.9	Confident	90.8	Very high	65 Å²	65	48.5 Å²	48.5	35%	0.348	25%	0.253	S	S	.	.			trans	-135.3	168.4	-174.3	-83.7	-33.1	0	0	0	112	T28 E63	T28-N68 PolarHBondContact OG1-OD1 2.92Å; E63-N68 WeakPolarHBondContact CB-O 3.07Å; E63-N68 HydrophobicContact CG-CB 4.37Å; E63-N68 PolarHBondContact N-O 3.42Å
69	F	94.5	Very high	90.6	Very high	25 Å²	25	46.1 Å²	46.1	11%	0.11	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.9	174.9	-54.9	-95.2	0	0	0	110.9	T28 V30 L48 F60 L61 A62 F397 L399 F423	T28-F69 HydrophobicContact CG2-CD2 3.96Å; T28-F69 HydrophobicContact CG2-CE2 3.91Å; V30-F69 HydrophobicContact CG2-CB 4.45Å; V30-F69 HydrophobicContact CG2-CD2 3.83Å; V30-F69 HydrophobicContact CG2-CG 4.36Å; L48-F69 HydrophobicContact CD1-CD1 3.74Å; L48-F69 HydrophobicContact CD1-CD2 4Å; L48-F69 HydrophobicContact CD1-CE1 3.67Å; L48-F69 HydrophobicContact CD1-CE2 3.94Å; L48-F69 HydrophobicContact CD1-CG 3.92Å; L48-F69 HydrophobicContact CD1-CZ 3.78Å; L48-F69 HydrophobicContact CD2-CE1 3.99Å; L48-F69 HydrophobicContact CD2-CZ 4.24Å; L48-F69 HydrophobicContact CG-CD1 3.82Å; L48-F69 HydrophobicContact CG-CE1 3.61Å; L48-F69 HydrophobicContact CG-CG 4.49Å; L48-F69 HydrophobicContact CG-CZ 4.11Å; F60-F69 HydrophobicContact CB-CB 3.89Å; F60-F69 HydrophobicContact CD1-CB 4.42Å; L61-F69 CarbonylContact O-C 3.54Å; L61-F69 WeakPolarHBondContact O-CA 3.47Å; A62-F69 HydrophobicContact CB-CD1 4Å; A62-F69 HydrophobicContact CB-CE1 3.87Å; F69-F397 HydrophobicContact CZ-CE1 4.23Å; F69-F397 HydrophobicContact CZ-CZ 4.31Å; F69-L399 HydrophobicContact CE2-CD1 3.87Å; F69-L399 HydrophobicContact CZ-CD1 4.11Å; F69-F423 HydrophobicContact CD2-CE2 4.42Å; F69-F423 HydrophobicContact CE2-CD2 4.22Å; F69-F423 HydrophobicContact CE2-CE1 4.2Å; F69-F423 AromaticContact CE2-CE2 3.79Å; F69-F423 HydrophobicContact CE2-CE2 3.79Å; F69-F423 AromaticContact CE2-CZ 3.78Å; F69-F423 HydrophobicContact CE2-CZ 3.78Å; F69-F423 HydrophobicContact CZ-CE1 4.2Å; F69-F423 HydrophobicContact CZ-CE2 4.42Å; F69-F423 AromaticContact CZ-CZ 3.95Å; F69-F423 HydrophobicContact CZ-CZ 3.95Å
70	T	94.9	Very high	90.4	Very high	77 Å²	77	48.6 Å²	48.6	47%	0.472	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.8	175.4	-75	0	0	0	0	110.1	F60 L61 E63 A72	F60-T70 WeakPolarHBondContact CA-O 3.34Å; L61-T70 PolarHBondContact N-O 2.91Å; L61-T70 PolarHBondContact O-N 3.46Å; E63-T70 PolarHBondContact OE1-OG1 2.92Å; T70-A72 PolarHBondContact O-N 3.33Å
71	Q	95.6	Very high	90.2	Very high	67 Å²	67	52.6 Å²	52.6	31%	0.313	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	120.8	179	-173.1	176.8	-18.3	0	0	111.3	Y58 F60 H73	Y58-Q71 HydrophobicContact CD1-CG 4.3Å; F60-Q71 HydrophobicContact CD1-CB 3.94Å; F60-Q71 HydrophobicContact CD1-CG 4.49Å; F60-Q71 HydrophobicContact CE1-CB 3.71Å; F60-Q71 HydrophobicContact CE1-CG 4.09Å; F60-Q71 HydrophobicContact CE2-CG 4.47Å; F60-Q71 HydrophobicContact CZ-CB 4.22Å; F60-Q71 HydrophobicContact CZ-CG 4.08Å; Q71-H73 PolarHBondContact NE2-CE1 3.47Å; Q71-H73 PolarHBondContact NE2-ND1 3.26Å
72	A	94.8	Very high	90.1	Very high	11 Å²	11	56 Å²	56	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	92.6	177.1	0	0	0	0	0	111.1	V59 L61 T70 R74 Y75	V59-A72 HydrophobicContact CG1-CB 4.48Å; V59-A72 PolarHBondContact O-N 2.8Å; L61-A72 HydrophobicContact CD1-CB 3.73Å; L61-A72 HydrophobicContact CD2-CB 4.4Å; L61-A72 HydrophobicContact CG-CB 3.73Å; T70-A72 PolarHBondContact O-N 3.33Å; A72-R74 PolarHBondContact O-N 3.47Å; A72-R74 VanDerWaalsContact O-N 3.09Å; A72-Y75 HydrophobicContact CB-CD2 3.92Å; A72-Y75 PolarHBondContact O-N 3.27Å
73	H	93.2	Very high	90.1	Very high	128 Å²	128	56.4 Å²	56.4	59%	0.593	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	-23.6	-177.9	-67.7	-65.4	0	0	0	114.7	Y58 Q71 Y75 T76	Y58-H73 AromaticContact CE1-ND1 3.9Å; Q71-H73 PolarHBondContact NE2-CE1 3.47Å; Q71-H73 PolarHBondContact NE2-ND1 3.26Å; H73-Y75 VanDerWaalsContact C-N 3.29Å; H73-Y75 PolarHBondContact O-N 3.33Å; H73-T76 WeakPolarHBondContact O-CB 3.19Å; H73-T76 PolarHBondContact O-N 3.44Å; H73-T76 PolarHBondContact O-OG1 2.85Å
74	R	92.4	Very high	90.4	Very high	138 Å²	138	56.1 Å²	56.1	52%	0.521	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	-26	-179.1	71.4	-177.8	-173.6	-143.8	-1.5	114	A72 T76 V123	A72-R74 PolarHBondContact O-N 3.47Å; A72-R74 VanDerWaalsContact O-N 3.09Å; R74-T76 VanDerWaalsContact C-N 3.34Å; R74-V123 WeakPolarHBondContact CG-O 3.42Å
75	Y	94.6	Very high	91.4	Very high	7 Å²	7	51 Å²	51	3%	0.027	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	25.2	178.2	-59	-70.9	0	0	0	112.5	I40 V59 A72 H73 V77 N122 F125	I40-Y75 HydrophobicContact CG2-CD1 4.06Å; I40-Y75 HydrophobicContact CG2-CD2 3.8Å; I40-Y75 HydrophobicContact CG2-CE1 3.77Å; I40-Y75 HydrophobicContact CG2-CE2 3.46Å; I40-Y75 VanDerWaalsContact CG2-CE2 3.46Å; I40-Y75 HydrophobicContact CG2-CG 4.09Å; I40-Y75 VanDerWaalsContact CG2-CZ 3.46Å; V59-Y75 HydrophobicContact CB-CD2 4.46Å; V59-Y75 HydrophobicContact CG1-CD2 4.39Å; V59-Y75 VanDerWaalsContact CG2-CB 3.46Å; V59-Y75 HydrophobicContact CG2-CG 4.36Å; A72-Y75 HydrophobicContact CB-CD2 3.92Å; A72-Y75 PolarHBondContact O-N 3.27Å; H73-Y75 VanDerWaalsContact C-N 3.29Å; H73-Y75 PolarHBondContact O-N 3.33Å; Y75-V77 PolarHBondContact O-N 2.84Å; Y75-N122 PolarHBondContact OH-O 3.48Å; Y75-F125 HydrophobicContact CD1-CD2 4.26Å; Y75-F125 HydrophobicContact CD1-CE2 4.16Å; Y75-F125 HydrophobicContact CG-CE2 4.35Å; Y75-F125 WeakPolarHBondContact O-CD2 3.26Å
76	T	95.8	Very high	92.4	Very high	42 Å²	42	49.2 Å²	49.2	26%	0.258	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	128.6	178.9	-56.8	0	0	0	0	109.8	M56 Y58 H73 R74	M56-T76 HydrophobicContact CE-CG2 3.6Å; Y58-T76 HydrophobicContact CD1-CG2 3.84Å; Y58-T76 VanDerWaalsContact CD1-OG1 3.23Å; Y58-T76 WeakPolarHBondContact CD1-OG1 3.43Å; Y58-T76 HydrophobicContact CE1-CG2 3.52Å; Y58-T76 WeakPolarHBondContact CE1-OG1 3.25Å; H73-T76 WeakPolarHBondContact O-CB 3.19Å; H73-T76 PolarHBondContact O-N 3.44Å; H73-T76 PolarHBondContact O-OG1 2.85Å; R74-T76 VanDerWaalsContact C-N 3.34Å
77	V	95.5	Very high	93.4	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.7	171.5	169.7	0	0	0	0	109.5	M56 L57 Y75 L79 L101 I103 F125 C127	M56-V77 WeakPolarHBondContact CA-O 3.34Å; L57-V77 HydrophobicContact CB-CB 4.17Å; L57-V77 HydrophobicContact CD1-CB 4.39Å; L57-V77 HydrophobicContact CD1-CG1 4.42Å; L57-V77 PolarHBondContact N-O 3.22Å; L57-V77 PolarHBondContact O-N 3.28Å; Y75-V77 PolarHBondContact O-N 2.84Å; V77-L79 HydrophobicContact CG1-CD2 4.45Å; V77-L101 HydrophobicContact CG2-CD1 4.15Å; V77-I103 HydrophobicContact CG1-CD1 3.83Å; V77-F125 HydrophobicContact CG2-CB 3.53Å; V77-F125 HydrophobicContact CG2-CD2 3.82Å; V77-F125 HydrophobicContact CG2-CG 3.88Å; V77-C127 WeakPolarHBondContact CG1-SG 3.43Å
78	S	94.6	Very high	94.2	Very high	77 Å²	77	46.8 Å²	46.8	54%	0.538	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	112	176.3	179.5	0	0	0	0	109.5	M56	M56-S78 WeakPolarHBondContact SD-CB 3.42Å; M56-S78 PolarHBondContact SD-OG 2.87Å
79	L	93.4	Very high	94.6	Very high	6 Å²	6	44 Å²	44	3%	0.031	23%	0.233	C	C	.	.			trans	-84.1	159.4	167.7	-62.2	-172.4	0	0	0	110.5	S55 V77 I85 I103 H116	S55-L79 PolarHBondContact O-N 2.96Å; V77-L79 HydrophobicContact CG1-CD2 4.45Å; L79-I85 HydrophobicContact CD1-CD1 4.08Å; L79-I85 HydrophobicContact CD1-CG1 3.78Å; L79-I85 HydrophobicContact CG-CD1 4.31Å; L79-I85 HydrophobicContact CG-CG1 4.5Å; L79-I103 HydrophobicContact CD1-CG2 3.99Å; L79-H116 HydrophobicContact CD2-CB 4.42Å
80	P	92.5	Very high	94.7	Very high	55 Å²	55	43.9 Å²	43.9	36%	0.357	24%	0.235	S	C	.	.			trans	-52.3	141.5	170.5	-27.4	34.3	0	0	0	111.9	Q82 Y83	P80-Q82 VanDerWaalsContact CB-CD 3.5Å; P80-Q82 PolarHBondContact O-N 3.4Å; P80-Y83 HydrophobicContact CB-CD2 3.78Å; P80-Y83 HydrophobicContact CB-CE2 3.99Å; P80-Y83 HydrophobicContact CG-CD2 3.98Å; P80-Y83 HydrophobicContact CG-CE2 3.98Å; P80-Y83 PolarHBondContact O-N 2.73Å
81	P	92.7	Very high	94.8	Very high	94 Å²	94	40.2 Å²	40.2	61%	0.61	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.5	-168.9	-26.5	34.5	0	0	0	116	H54 Y83	H54-P81 PolarHBondContact CE1-O 3.4Å; P81-Y83 PolarHBondContact O-N 2.76Å
82	Q	92.9	Very high	94.7	Very high	97 Å²	97	37.1 Å²	37.1	45%	0.453	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-12.3	177.3	67.9	-88.6	24.4	0	0	114.1	P80 M107	P80-Q82 VanDerWaalsContact CB-CD 3.5Å; P80-Q82 PolarHBondContact O-N 3.4Å; Q82-M107 HydrophobicContact CG-CE 4.31Å
83	Y	93.8	Very high	94.8	Very high	16 Å²	16	36.6 Å²	36.6	6%	0.063	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	117	-178.1	-64.5	-64.5	0	0	0	111	S55 P80 P81 M107 V114 H116 Q132	S55-Y83 WeakPolarHBondContact CA-O 3.35Å; S55-Y83 VanDerWaalsContact CB-O 3.26Å; S55-Y83 WeakPolarHBondContact CB-O 3.44Å; P80-Y83 HydrophobicContact CB-CD2 3.78Å; P80-Y83 HydrophobicContact CB-CE2 3.99Å; P80-Y83 HydrophobicContact CG-CD2 3.98Å; P80-Y83 HydrophobicContact CG-CE2 3.98Å; P80-Y83 PolarHBondContact O-N 2.73Å; P81-Y83 PolarHBondContact O-N 2.76Å; Y83-M107 HydrophobicContact CD1-CG 3.59Å; Y83-M107 HydrophobicContact CD1-SD 4.45Å; Y83-M107 HydrophobicContact CE1-CG 3.39Å; Y83-M107 HydrophobicContact CE1-SD 3.66Å; Y83-V114 HydrophobicContact CD1-CB 4.28Å; Y83-V114 HydrophobicContact CD1-CG2 4.42Å; Y83-V114 HydrophobicContact CE1-CB 3.96Å; Y83-V114 HydrophobicContact CE1-CG1 3.91Å; Y83-V114 HydrophobicContact CE1-CG2 3.89Å; Y83-H116 AromaticContact CD1-NE2 3.99Å; Y83-H116 AromaticContact CD2-CE1 3.98Å; Y83-H116 AromaticContact CE2-CE1 3.9Å; Y83-Q132 PolarHBondContact OH-NE2 3.33Å; Y83-Q132 PolarHBondContact OH-OE1 3.37Å
84	D	94.6	Very high	94.8	Very high	54 Å²	54	30.8 Å²	30.8	29%	0.289	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.9	170.7	-177.2	31.1	0	0	0	110.4	K51 H54 Q86 S105 K106	K51-D84 WeakPolarHBondContact CE-OD1 3.48Å; K51-D84 IonicContact NZ-OD1 3.02Å; K51-D84 PolarHBondContact NZ-OD1 3.19Å; K51-D84 IonicContact NZ-OD2 3.14Å; H54-D84 WeakPolarHBondContact CA-OD1 3.41Å; H54-D84 HydrophobicContact CB-CB 4.33Å; H54-D84 VanDerWaalsContact CB-OD1 3.26Å; H54-D84 WeakPolarHBondContact CB-OD1 3.18Å; H54-D84 CarbonylContact O-C 3.46Å; H54-D84 WeakPolarHBondContact O-CA 2.96Å; D84-Q86 VanDerWaalsContact CG-NE2 3.34Å; D84-Q86 PolarHBondContact O-N 3.35Å; D84-Q86 PolarHBondContact O-NE2 2.88Å; D84-Q86 PolarHBondContact OD2-NE2 2.84Å; D84-S105 CarbonylContact O-C 3.55Å; D84-S105 VanDerWaalsContact O-CA 3.22Å; D84-S105 WeakPolarHBondContact O-CA 3.23Å; D84-K106 PolarHBondContact N-O 2.95Å; D84-K106 PolarHBondContact O-N 3.41Å
85	I	95.6	Very high	94.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	124.3	-177.3	-63	173.7	0	0	0	110	M35 K51 H54 L57 L79 V88 I103	M35-I85 HydrophobicContact CE-CG2 4.34Å; K51-I85 HydrophobicContact CD-CB 4.31Å; K51-I85 WeakPolarHBondContact CD-O 3.28Å; K51-I85 VanDerWaalsContact CE-O 3.31Å; K51-I85 WeakPolarHBondContact CE-O 3.29Å; K51-I85 PolarHBondContact NZ-O 2.91Å; H54-I85 PolarHBondContact O-N 2.7Å; L57-I85 HydrophobicContact CD1-CD1 4.13Å; L57-I85 HydrophobicContact CD2-CD1 3.97Å; L57-I85 HydrophobicContact CD2-CG2 4.19Å; L57-I85 HydrophobicContact CG-CD1 3.65Å; L79-I85 HydrophobicContact CD1-CD1 4.08Å; L79-I85 HydrophobicContact CD1-CG1 3.78Å; L79-I85 HydrophobicContact CG-CD1 4.31Å; L79-I85 HydrophobicContact CG-CG1 4.5Å; I85-V88 HydrophobicContact CG2-CG2 4.24Å; I85-I103 HydrophobicContact CB-CG2 4.49Å; I85-I103 HydrophobicContact CD1-CG2 4.4Å; I85-I103 HydrophobicContact CG1-CG2 4.08Å; I85-I103 HydrophobicContact CG2-CG2 3.82Å
86	Q	94.6	Very high	94.7	Very high	13 Å²	13	26.8 Å²	26.8	6%	0.061	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-35.1	-179.5	-60.8	-54.4	-40.3	0	0	112.8	M35 D84 S104 K106 Y113 R327	M35-Q86 WeakPolarHBondContact CE-O 3.42Å; D84-Q86 VanDerWaalsContact CG-NE2 3.34Å; D84-Q86 PolarHBondContact O-N 3.35Å; D84-Q86 PolarHBondContact O-NE2 2.88Å; D84-Q86 PolarHBondContact OD2-NE2 2.84Å; Q86-S104 WeakPolarHBondContact CA-O 3.44Å; Q86-S104 PolarHBondContact N-O 2.82Å; Q86-K106 HydrophobicContact CG-CB 4.19Å; Q86-K106 HydrophobicContact CG-CD 4.13Å; Q86-K106 HydrophobicContact CG-CG 3.92Å; Q86-Y113 HydrophobicContact CB-CD1 4.3Å; Q86-Y113 HydrophobicContact CB-CE1 3.93Å; Q86-Y113 HydrophobicContact CG-CD1 4.27Å; Q86-Y113 HydrophobicContact CG-CE1 3.95Å; Q86-R327 VanDerWaalsContact O-CZ 3.31Å; Q86-R327 PolarHBondContact O-NH1 3.07Å; Q86-R327 PolarHBondContact O-NH2 2.76Å
87	N	96.3	Very high	94.5	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	155.5	-178	-172.9	49.1	0	0	0	111	S104 Q138 S486 R489	N87-S104 PolarHBondContact N-O 3.41Å; N87-S104 VanDerWaalsContact N-O 3.08Å; N87-S104 PolarHBondContact O-N 2.94Å; N87-Q138 PolarHBondContact ND2-OE1 3.15Å; N87-S486 PolarHBondContact ND2-O 2.82Å; N87-R489 VanDerWaalsContact OD1-CA 3.22Å; N87-R489 WeakPolarHBondContact OD1-CA 3.26Å; N87-R489 PolarHBondContact OD1-N 2.94Å
88	V	97.7	Very high	94.4	Very high	5 Å²	5	27 Å²	27	3%	0.03	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	125.9	171.3	-177.9	0	0	0	0	107.2	M35 A36 I49 L57 I85 L101 I103	M35-V88 HydrophobicContact CB-CB 3.88Å; M35-V88 HydrophobicContact CB-CG2 3.66Å; M35-V88 HydrophobicContact CG-CG2 4.17Å; A36-V88 HydrophobicContact CB-CB 4.23Å; A36-V88 HydrophobicContact CB-CG1 4.21Å; I49-V88 HydrophobicContact CD1-CG1 4.3Å; I49-V88 HydrophobicContact CG2-CG1 4.35Å; I49-V88 HydrophobicContact CG2-CG2 4.46Å; L57-V88 HydrophobicContact CD1-CG2 3.6Å; L57-V88 HydrophobicContact CD2-CG2 4.06Å; L57-V88 HydrophobicContact CG-CG2 4.49Å; I85-V88 HydrophobicContact CG2-CG2 4.24Å; V88-L101 HydrophobicContact CG1-CB 4.2Å; V88-L101 HydrophobicContact CG1-CD1 4.48Å; V88-L101 HydrophobicContact CG1-CD2 4.16Å; V88-I103 HydrophobicContact CG2-CG1 4.4Å
89	A	97.3	Very high	94.4	Very high	5 Å²	5	23.6 Å²	23.6	4%	0.041	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	152.5	165.5	0	0	0	0	0	109.1	L101 L102 V141	A89-L101 WeakPolarHBondContact O-CA 3.38Å; A89-L102 HydrophobicContact CB-CB 4.29Å; A89-L102 PolarHBondContact N-O 2.67Å; A89-L102 PolarHBondContact O-N 3.39Å; A89-V141 HydrophobicContact CB-CG2 3.61Å
90	V	96.4	Very high	94.5	Very high	24 Å²	24	23.3 Å²	23.3	15%	0.145	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136.2	-176.2	-177.6	0	0	0	0	108.8	A36 V38 I49 P99 D100 L101	A36-V90 HydrophobicContact CB-CG2 3.89Å; V38-V90 HydrophobicContact CB-CG1 4.24Å; V38-V90 HydrophobicContact CB-CG2 4.43Å; V38-V90 HydrophobicContact CG2-CG1 3.92Å; I49-V90 HydrophobicContact CD1-CG2 3.88Å; V90-P99 HydrophobicContact CG1-CB 3.7Å; V90-D100 WeakPolarHBondContact CA-O 3.44Å; V90-L101 HydrophobicContact CG2-CD2 3.92Å
91	S	95.7	Very high	94.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	173.1	174.7	-157.2	0	0	0	0	109.9	F93 D100 V141 G150	S91-F93 VanDerWaalsContact CB-CZ 3.48Å; S91-D100 PolarHBondContact N-O 2.91Å; S91-D100 VanDerWaalsContact N-O 3.17Å; S91-D100 WeakPolarHBondContact O-CA 3.46Å; S91-D100 VanDerWaalsContact O-CB 3.25Å; S91-D100 WeakPolarHBondContact O-CB 3.34Å; S91-D100 PolarHBondContact O-N 3.08Å; S91-V141 WeakPolarHBondContact OG-CG1 3.32Å; S91-G150 WeakPolarHBondContact OG-CA 3.49Å
92	D	94.8	Very high	94.9	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.085	C	C	.	.			trans	-105.8	97.2	166.1	174.9	10.5	0	0	0	108	G95 D96 L97 G150 V457	D92-G95 WeakPolarHBondContact OD1-CA 3.31Å; D92-G95 PolarHBondContact OD1-N 3.33Å; D92-G95 VanDerWaalsContact OD2-CA 3.28Å; D92-G95 WeakPolarHBondContact OD2-CA 3.4Å; D92-D96 PolarHBondContact OD1-N 2.84Å; D92-D96 VanDerWaalsContact OD1-N 3.08Å; D92-D96 PolarHBondContact OD2-N 2.66Å; D92-L97 VanDerWaalsContact OD2-CA 3.25Å; D92-L97 WeakPolarHBondContact OD2-CA 3.17Å; D92-L97 PolarHBondContact OD2-N 3.34Å; D92-G150 WeakPolarHBondContact O-CA 3.41Å; D92-G150 PolarHBondContact O-N 2.99Å; D92-V457 HydrophobicContact CB-CB 4.39Å; D92-V457 HydrophobicContact CB-CG1 4.14Å; D92-V457 HydrophobicContact CB-CG2 4.16Å
93	F	95.8	Very high	95.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-88.1	-20	-173.4	-59.9	-75.6	0	0	0	112.7	S91 D100 L102 V117 W119 V141 G150 F152 G167 N168 F173	S91-F93 VanDerWaalsContact CB-CZ 3.48Å; F93-D100 HydrophobicContact CD2-CB 3.53Å; F93-D100 HydrophobicContact CE2-CB 4.02Å; F93-D100 PolarHBondContact N-OD2 2.76Å; F93-L102 HydrophobicContact CE2-CB 4.03Å; F93-L102 HydrophobicContact CZ-CB 3.83Å; F93-L102 HydrophobicContact CZ-CD2 4.27Å; F93-L102 HydrophobicContact CZ-CG 4.47Å; F93-V117 HydrophobicContact CD2-CG1 4.46Å; F93-W119 HydrophobicContact CB-CH2 4.23Å; F93-W119 HydrophobicContact CB-CZ3 3.81Å; F93-V141 HydrophobicContact CE1-CG2 4.4Å; F93-V141 HydrophobicContact CZ-CG2 4.05Å; F93-G150 VanDerWaalsContact CD1-O 3.25Å; F93-G150 WeakPolarHBondContact CD1-O 3.2Å; F93-F152 HydrophobicContact CE1-CD1 4.24Å; F93-G167 CarbonylContact O-C 3.54Å; F93-G167 WeakPolarHBondContact O-CA 3.41Å; F93-N168 PolarHBondContact O-N 3.14Å; F93-F173 HydrophobicContact CB-CE1 3.98Å; F93-F173 HydrophobicContact CB-CZ 3.69Å; F93-F173 AromaticContact CD1-CE1 3.72Å; F93-F173 HydrophobicContact CD1-CE1 3.72Å; F93-F173 AromaticContact CD1-CZ 3.9Å; F93-F173 HydrophobicContact CD1-CZ 3.9Å; F93-F173 HydrophobicContact CD2-CZ 4.22Å; F93-F173 HydrophobicContact CE1-CE1 4.47Å; F93-F173 AromaticContact CG-CE1 3.96Å; F93-F173 HydrophobicContact CG-CE1 3.96Å; F93-F173 AromaticContact CG-CZ 3.7Å; F93-F173 HydrophobicContact CG-CZ 3.7Å
94	D	94.3	Very high	95.2	Very high	7 Å²	7	11 Å²	11	4%	0.037	6%	0.061	C	C	.	.	S	Bend	trans	-105.9	-2.5	177.7	73.5	-0.8	0	0	0	113.9	D96 W119 R169 R171	D94-D96 VanDerWaalsContact C-N 3.34Å; D94-D96 WeakPolarHBondContact OD1-CB 3.14Å; D94-D96 PolarHBondContact OD1-N 3.49Å; D94-W119 HydrophobicContact CB-CE3 4.26Å; D94-W119 HydrophobicContact CB-CZ3 3.86Å; D94-R169 VanDerWaalsContact O-CA 3.32Å; D94-R169 WeakPolarHBondContact O-CA 3.46Å; D94-R169 WeakPolarHBondContact O-CG 3.17Å; D94-R171 HydrophobicContact CB-CG 3.89Å; D94-R171 WeakPolarHBondContact OD2-CG 3.41Å; D94-R171 IonicContact OD2-CZ 3.09Å; D94-R171 VanDerWaalsContact OD2-CZ 3.31Å; D94-R171 IonicContact OD2-NE 2.72Å; D94-R171 PolarHBondContact OD2-NE 2.75Å; D94-R171 IonicContact OD2-NH2 2.77Å; D94-R171 PolarHBondContact OD2-NH2 3.37Å
95	G	93	Very high	95.3	Very high	8 Å²	8	8.4 Å²	8.4	8%	0.082	5%	0.047	C	C	.	.	S	Bend	trans	72.5	27.7	174.1	0	0	0	0	0	113.1	D92 L149 R169	D92-G95 WeakPolarHBondContact OD1-CA 3.31Å; D92-G95 PolarHBondContact OD1-N 3.33Å; D92-G95 VanDerWaalsContact OD2-CA 3.28Å; D92-G95 WeakPolarHBondContact OD2-CA 3.4Å; G95-L149 VanDerWaalsContact CA-CD2 3.46Å; G95-R169 PolarHBondContact O-NH1 2.76Å
96	D	92.1	Very high	95.2	Very high	52 Å²	52	10.3 Å²	10.3	28%	0.278	6%	0.055	S	C	.	.	S	Bend	trans	-95	1	178.9	83.2	3.6	0	0	0	113.8	D92 D94 F98 R171	D92-D96 PolarHBondContact OD1-N 2.84Å; D92-D96 VanDerWaalsContact OD1-N 3.08Å; D92-D96 PolarHBondContact OD2-N 2.66Å; D94-D96 VanDerWaalsContact C-N 3.34Å; D94-D96 WeakPolarHBondContact OD1-CB 3.14Å; D94-D96 PolarHBondContact OD1-N 3.49Å; D96-F98 PolarHBondContact O-N 3.33Å; D96-F98 VanDerWaalsContact OD1-CB 3.31Å; D96-F98 WeakPolarHBondContact OD1-CB 3.49Å; D96-F98 WeakPolarHBondContact OD1-CD2 3.35Å; D96-F98 PolarHBondContact OD1-N 2.83Å; D96-R171 IonicContact OD2-NH2 3.28Å; D96-R171 PolarHBondContact OD2-NH2 3.07Å
97	L	92	Very high	95.1	Very high	24 Å²	24	13.4 Å²	13.4	13%	0.126	7%	0.071	C	C	.	.	S	Bend	trans	69.9	1.6	-179.1	-54.9	170.2	0	0	0	115.3	D92 L443 C444 C448	D92-L97 VanDerWaalsContact OD2-CA 3.25Å; D92-L97 WeakPolarHBondContact OD2-CA 3.17Å; D92-L97 PolarHBondContact OD2-N 3.34Å; L97-L443 HydrophobicContact CD2-CB 3.84Å; L97-C444 HydrophobicContact CD1-CB 4.2Å; L97-C444 HydrophobicContact CD2-CB 4.2Å; L97-C448 HydrophobicContact CD1-CB 3.88Å
98	F	92.8	Very high	94.8	Very high	26 Å²	26	22.7 Å²	22.7	11%	0.114	11%	0.114	C	C	.	.	S	Bend	trans	-85	142.5	168.8	-65.9	-83.5	0	0	0	110.2	F42 D96 D100 S121 N122 H453	F42-F98 AromaticContact CE2-CD1 3.74Å; F42-F98 HydrophobicContact CE2-CD1 3.74Å; F42-F98 AromaticContact CE2-CE1 3.63Å; F42-F98 HydrophobicContact CE2-CE1 3.63Å; F42-F98 AromaticContact CZ-CD1 3.5Å; F42-F98 HydrophobicContact CZ-CD1 3.5Å; F42-F98 AromaticContact CZ-CE1 3.71Å; F42-F98 HydrophobicContact CZ-CE1 3.71Å; F42-F98 HydrophobicContact CZ-CG 4.35Å; D96-F98 PolarHBondContact O-N 3.33Å; D96-F98 VanDerWaalsContact OD1-CB 3.31Å; D96-F98 WeakPolarHBondContact OD1-CB 3.49Å; D96-F98 WeakPolarHBondContact OD1-CD2 3.35Å; D96-F98 PolarHBondContact OD1-N 2.83Å; F98-D100 PolarHBondContact O-N 3.15Å; F98-S121 VanDerWaalsContact CD1-C 3.44Å; F98-N122 HydrophobicContact CE1-CB 3.65Å; F98-N122 VanDerWaalsContact CE1-N 3.3Å; F98-N122 HydrophobicContact CZ-CB 3.9Å; F98-H453 AromaticContact CE1-CE1 3.97Å; F98-H453 AromaticContact CE1-ND1 3.67Å; F98-H453 AromaticContact CZ-CE1 3.5Å; F98-H453 VanDerWaalsContact CZ-CE1 3.5Å; F98-H453 WeakPolarHBondContact CZ-CE1 3.19Å; F98-H453 AromaticContact CZ-ND1 3.43Å; F98-H453 WeakPolarHBondContact CZ-ND1 3.33Å
99	P	94.7	Very high	94.4	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.032	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-65.4	126.2	172.9	-15.5	27.1	0	0	0	110.7	V38 V90 G120 F125 V457	V38-P99 HydrophobicContact CG2-CB 3.58Å; V38-P99 HydrophobicContact CG2-CG 3.49Å; V38-P99 VanDerWaalsContact CG2-CG 3.49Å; V90-P99 HydrophobicContact CG1-CB 3.7Å; P99-G120 VanDerWaalsContact O-CA 3.31Å; P99-G120 WeakPolarHBondContact O-CA 3.45Å; P99-F125 VanDerWaalsContact O-CE1 3.27Å; P99-F125 WeakPolarHBondContact O-CE1 3.08Å; P99-V457 HydrophobicContact CB-CG2 4.1Å; P99-V457 HydrophobicContact CG-CG2 3.89Å
100	D	95.4	Very high	94.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	157.3	166.9	-62.1	-43.3	0	0	0	110.9	V90 S91 F93 F98 W119 G120	V90-D100 WeakPolarHBondContact CA-O 3.44Å; S91-D100 PolarHBondContact N-O 2.91Å; S91-D100 VanDerWaalsContact N-O 3.17Å; S91-D100 WeakPolarHBondContact O-CA 3.46Å; S91-D100 VanDerWaalsContact O-CB 3.25Å; S91-D100 WeakPolarHBondContact O-CB 3.34Å; S91-D100 PolarHBondContact O-N 3.08Å; F93-D100 HydrophobicContact CD2-CB 3.53Å; F93-D100 HydrophobicContact CE2-CB 4.02Å; F93-D100 PolarHBondContact N-OD2 2.76Å; F98-D100 PolarHBondContact O-N 3.15Å; D100-W119 VanDerWaalsContact OD1-CA 3.24Å; D100-W119 WeakPolarHBondContact OD1-CA 3.37Å; D100-G120 PolarHBondContact OD1-N 3.22Å
101	L	96.5	Very high	93.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.8	179	-47	-176.8	0	0	0	111.9	I49 L57 V77 V88 A89 V90 I103 V117 C118 F125	I49-L101 HydrophobicContact CD1-CD1 4.23Å; I49-L101 HydrophobicContact CD1-CD2 3.34Å; I49-L101 HydrophobicContact CD1-CG 4.44Å; L57-L101 HydrophobicContact CD1-CD1 4.48Å; V77-L101 HydrophobicContact CG2-CD1 4.15Å; V88-L101 HydrophobicContact CG1-CB 4.2Å; V88-L101 HydrophobicContact CG1-CD1 4.48Å; V88-L101 HydrophobicContact CG1-CD2 4.16Å; A89-L101 WeakPolarHBondContact O-CA 3.38Å; V90-L101 HydrophobicContact CG2-CD2 3.92Å; L101-I103 HydrophobicContact CB-CD1 4.34Å; L101-I103 HydrophobicContact CB-CG1 4.02Å; L101-V117 CarbonylContact O-C 3.44Å; L101-V117 WeakPolarHBondContact O-CA 3.49Å; L101-C118 HydrophobicContact CB-CB 4.16Å; L101-C118 PolarHBondContact N-O 3.19Å; L101-C118 PolarHBondContact O-N 2.87Å; L101-F125 HydrophobicContact CD1-CD1 4.12Å; L101-F125 HydrophobicContact CD1-CD2 4.21Å; L101-F125 HydrophobicContact CD1-CE1 3.93Å; L101-F125 HydrophobicContact CD1-CE2 4.02Å; L101-F125 HydrophobicContact CD1-CG 4.27Å; L101-F125 HydrophobicContact CD1-CZ 3.89Å; L101-F125 HydrophobicContact CD2-CE1 3.93Å; L101-F125 HydrophobicContact CD2-CZ 3.94Å; L101-F125 HydrophobicContact CG-CD1 3.98Å; L101-F125 HydrophobicContact CG-CE1 3.57Å; L101-F125 HydrophobicContact CG-CZ 3.89Å
102	L	97	Very high	93.7	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	104.9	166.6	-171.5	70.7	0	0	0	108.9	A89 F93 V115 V117 P139 V141 F152	A89-L102 HydrophobicContact CB-CB 4.29Å; A89-L102 PolarHBondContact N-O 2.67Å; A89-L102 PolarHBondContact O-N 3.39Å; F93-L102 HydrophobicContact CE2-CB 4.03Å; F93-L102 HydrophobicContact CZ-CB 3.83Å; F93-L102 HydrophobicContact CZ-CD2 4.27Å; F93-L102 HydrophobicContact CZ-CG 4.47Å; L102-V115 HydrophobicContact CD1-CG1 3.4Å; L102-V115 HydrophobicContact CG-CG1 4Å; L102-V117 HydrophobicContact CD1-CG2 3.62Å; L102-P139 HydrophobicContact CD2-CB 4.12Å; L102-P139 HydrophobicContact CD2-CG 3.51Å; L102-P139 HydrophobicContact CG-CG 4.14Å; L102-V141 HydrophobicContact CD2-CG2 3.97Å; L102-F152 HydrophobicContact CD1-CD1 4Å; L102-F152 HydrophobicContact CD1-CE1 4.04Å; L102-F152 HydrophobicContact CD1-CG 4.39Å; L102-F152 HydrophobicContact CD1-CZ 4.46Å; L102-F152 HydrophobicContact CD2-CB 3.74Å; L102-F152 HydrophobicContact CD2-CD1 4.13Å; L102-F152 HydrophobicContact CD2-CD2 4.4Å; L102-F152 HydrophobicContact CD2-CG 3.85Å
103	I	96.9	Very high	93.7	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118	-171.4	-54.2	176.1	0	0	0	109.6	L57 V77 L79 I85 V88 L101 V115 H116 C118	L57-I103 HydrophobicContact CD1-CD1 3.74Å; L57-I103 HydrophobicContact CD1-CG1 4.33Å; V77-I103 HydrophobicContact CG1-CD1 3.83Å; L79-I103 HydrophobicContact CD1-CG2 3.99Å; I85-I103 HydrophobicContact CB-CG2 4.49Å; I85-I103 HydrophobicContact CD1-CG2 4.4Å; I85-I103 HydrophobicContact CG1-CG2 4.08Å; I85-I103 HydrophobicContact CG2-CG2 3.82Å; V88-I103 HydrophobicContact CG2-CG1 4.4Å; L101-I103 HydrophobicContact CB-CD1 4.34Å; L101-I103 HydrophobicContact CB-CG1 4.02Å; I103-V115 CarbonylContact O-C 3.5Å; I103-V115 WeakPolarHBondContact O-CA 3.39Å; I103-H116 HydrophobicContact CB-CB 4.45Å; I103-H116 PolarHBondContact N-O 2.7Å; I103-H116 PolarHBondContact O-N 2.67Å; I103-C118 VanDerWaalsContact CD1-SG 3.57Å
104	S	96.1	Very high	93.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.1	168.9	-60.9	0	0	0	0	109.7	Q86 N87 P139	Q86-S104 WeakPolarHBondContact CA-O 3.44Å; Q86-S104 PolarHBondContact N-O 2.82Å; N87-S104 PolarHBondContact N-O 3.41Å; N87-S104 VanDerWaalsContact N-O 3.08Å; N87-S104 PolarHBondContact O-N 2.94Å; S104-P139 WeakPolarHBondContact OG-CD 3.24Å
105	S	95.5	Very high	93.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	165.3	178.5	67.3	0	0	0	0	111.4	D84 Y113 V114 H116	D84-S105 CarbonylContact O-C 3.55Å; D84-S105 VanDerWaalsContact O-CA 3.22Å; D84-S105 WeakPolarHBondContact O-CA 3.23Å; S105-Y113 CarbonylContact O-C 3.45Å; S105-Y113 VanDerWaalsContact O-CA 3.27Å; S105-Y113 WeakPolarHBondContact O-CA 3.17Å; S105-V114 PolarHBondContact N-O 2.79Å; S105-V114 PolarHBondContact O-N 2.8Å; S105-V114 PolarHBondContact OG-O 3Å; S105-H116 PolarHBondContact OG-CD2 2.84Å; S105-H116 PolarHBondContact OG-NE2 3.2Å
106	K	93.9	Very high	93.9	Very high	39 Å²	39	32.7 Å²	32.7	17%	0.17	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	143.5	171.3	-80.7	-178.1	168.8	172.1	0	110.3	D84 Q86 A111 Y113	D84-K106 PolarHBondContact N-O 2.95Å; D84-K106 PolarHBondContact O-N 3.41Å; Q86-K106 HydrophobicContact CG-CB 4.19Å; Q86-K106 HydrophobicContact CG-CD 4.13Å; Q86-K106 HydrophobicContact CG-CG 3.92Å; K106-A111 WeakPolarHBondContact CE-O 3.43Å; K106-Y113 HydrophobicContact CD-CD1 4.39Å; K106-Y113 HydrophobicContact CD-CE1 4.1Å; K106-Y113 VanDerWaalsContact CE-CE1 3.41Å; K106-Y113 HydrophobicContact CG-CD1 3.88Å; K106-Y113 HydrophobicContact CG-CE1 4.09Å; K106-Y113 HydrophobicContact CG-CG 4.48Å; K106-Y113 PolarHBondContact NZ-OH 2.74Å
107	M	93.9	Very high	94.1	Very high	79 Å²	79	30.4 Å²	30.4	39%	0.389	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	148.6	165.6	-65.6	177.3	67.2	0	0	109.6	Q82 Y83 G109 S110 V114	Q82-M107 HydrophobicContact CG-CE 4.31Å; Y83-M107 HydrophobicContact CD1-CG 3.59Å; Y83-M107 HydrophobicContact CD1-SD 4.45Å; Y83-M107 HydrophobicContact CE1-CG 3.39Å; Y83-M107 HydrophobicContact CE1-SD 3.66Å; M107-G109 PolarHBondContact O-N 3.36Å; M107-S110 WeakPolarHBondContact O-CB 3.35Å; M107-S110 PolarHBondContact O-N 3.22Å; M107-V114 HydrophobicContact CG-CG2 4.43Å; M107-V114 HydrophobicContact SD-CG2 4.48Å
108	E	89.3	Confident	94.3	Very high	198 Å²	198	29.2 Å²	29.2	93%	0.925	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	127.3	175.4	-170.7	177.2	-177	0	0	110.9	S110	E108-S110 VanDerWaalsContact C-N 3.25Å; E108-S110 PolarHBondContact O-N 3.3Å
109	G	89.3	Confident	94.4	Very high	87 Å²	87	29 Å²	29	90%	0.897	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	-3.9	-177.9	0	0	0	0	0	115.8	M107	M107-G109 PolarHBondContact O-N 3.36Å
110	S	92.1	Very high	94.3	Very high	45 Å²	45	28.9 Å²	28.9	32%	0.315	18%	0.176	S	C	.	.			trans	-87.9	136.4	173.6	-177.1	0	0	0	0	111.5	M107 E108 D112	M107-S110 WeakPolarHBondContact O-CB 3.35Å; M107-S110 PolarHBondContact O-N 3.22Å; E108-S110 VanDerWaalsContact C-N 3.25Å; E108-S110 PolarHBondContact O-N 3.3Å; S110-D112 PolarHBondContact OG-N 2.93Å; S110-D112 PolarHBondContact OG-O 3.16Å
111	A	89.5	Confident	94.1	Very high	66 Å²	66	30.5 Å²	30.5	55%	0.545	19%	0.187	S	C	.	.	S	Bend	trans	-80.8	-29.1	169.3	0	0	0	0	0	112.4	K106	K106-A111 WeakPolarHBondContact CE-O 3.43Å
112	D	93.2	Very high	93.7	Very high	48 Å²	48	34.8 Å²	34.8	26%	0.257	21%	0.211	S	C	.	.	S	Bend	trans	-84.6	151.9	-174.4	-58.4	-22.7	0	0	0	111.1	S110 I134 R158	S110-D112 PolarHBondContact OG-N 2.93Å; S110-D112 PolarHBondContact OG-O 3.16Å; D112-I134 HydrophobicContact CB-CG2 3.75Å; D112-R158 IonicContact OD1-NH2 2.96Å
113	Y	94.7	Very high	93.2	Very high	7 Å²	7	38.8 Å²	38.8	3%	0.027	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	139.4	177	-64.1	-90.7	0	0	0	111	Q86 S105 K106 I134 F135 D137 Q138	Q86-Y113 HydrophobicContact CB-CD1 4.3Å; Q86-Y113 HydrophobicContact CB-CE1 3.93Å; Q86-Y113 HydrophobicContact CG-CD1 4.27Å; Q86-Y113 HydrophobicContact CG-CE1 3.95Å; S105-Y113 CarbonylContact O-C 3.45Å; S105-Y113 VanDerWaalsContact O-CA 3.27Å; S105-Y113 WeakPolarHBondContact O-CA 3.17Å; K106-Y113 HydrophobicContact CD-CD1 4.39Å; K106-Y113 HydrophobicContact CD-CE1 4.1Å; K106-Y113 VanDerWaalsContact CE-CE1 3.41Å; K106-Y113 HydrophobicContact CG-CD1 3.88Å; K106-Y113 HydrophobicContact CG-CE1 4.09Å; K106-Y113 HydrophobicContact CG-CG 4.48Å; K106-Y113 PolarHBondContact NZ-OH 2.74Å; Y113-I134 WeakPolarHBondContact O-CA 3.34Å; Y113-F135 PolarHBondContact N-O 2.59Å; Y113-F135 PolarHBondContact O-N 3.01Å; Y113-D137 WeakPolarHBondContact CE2-OD1 3.32Å; Y113-Q138 HydrophobicContact CD1-CG 3.8Å; Y113-Q138 HydrophobicContact CD2-CG 4.18Å; Y113-Q138 HydrophobicContact CE1-CG 3.65Å; Y113-Q138 VanDerWaalsContact CE1-NE2 3.26Å; Y113-Q138 HydrophobicContact CE2-CG 4.04Å; Y113-Q138 HydrophobicContact CG-CG 4.05Å
114	V	95.6	Very high	93.1	Very high	4 Å²	4	44 Å²	44	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119.8	168.7	-174.2	0	0	0	0	108.3	Y83 S105 M107 H116 Q132 W133 I134	Y83-V114 HydrophobicContact CD1-CB 4.28Å; Y83-V114 HydrophobicContact CD1-CG2 4.42Å; Y83-V114 HydrophobicContact CE1-CB 3.96Å; Y83-V114 HydrophobicContact CE1-CG1 3.91Å; Y83-V114 HydrophobicContact CE1-CG2 3.89Å; S105-V114 PolarHBondContact N-O 2.79Å; S105-V114 PolarHBondContact O-N 2.8Å; S105-V114 PolarHBondContact OG-O 3Å; M107-V114 HydrophobicContact CG-CG2 4.43Å; M107-V114 HydrophobicContact SD-CG2 4.48Å; V114-H116 PolarHBondContact O-CD2 3.19Å; V114-Q132 HydrophobicContact CG1-CB 4.12Å; V114-Q132 HydrophobicContact CG1-CG 4.19Å; V114-W133 WeakPolarHBondContact CA-O 3.19Å; V114-I134 HydrophobicContact CG2-CG1 4.39Å
115	V	96.2	Very high	93	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	129.3	-179	178.4	0	0	0	0	109.9	L102 I103 W133 F135 P139	L102-V115 HydrophobicContact CD1-CG1 3.4Å; L102-V115 HydrophobicContact CG-CG1 4Å; I103-V115 CarbonylContact O-C 3.5Å; I103-V115 WeakPolarHBondContact O-CA 3.39Å; V115-W133 HydrophobicContact CG1-CE3 4.42Å; V115-W133 PolarHBondContact N-O 2.91Å; V115-W133 PolarHBondContact O-N 2.83Å; V115-F135 HydrophobicContact CB-CD2 4.34Å; V115-F135 HydrophobicContact CB-CE2 4.16Å; V115-F135 HydrophobicContact CG2-CD2 3.53Å; V115-F135 HydrophobicContact CG2-CE2 3.79Å; V115-P139 HydrophobicContact CG1-CG 4.36Å; V115-P139 HydrophobicContact CG2-CG 4.09Å
116	H	95.5	Very high	92.9	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.019	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	147.8	177.1	-47.3	-99.3	0	0	0	109.1	L79 Y83 I103 S105 V114	L79-H116 HydrophobicContact CD2-CB 4.42Å; Y83-H116 AromaticContact CD1-NE2 3.99Å; Y83-H116 AromaticContact CD2-CE1 3.98Å; Y83-H116 AromaticContact CE2-CE1 3.9Å; I103-H116 HydrophobicContact CB-CB 4.45Å; I103-H116 PolarHBondContact N-O 2.7Å; I103-H116 PolarHBondContact O-N 2.67Å; S105-H116 PolarHBondContact OG-CD2 2.84Å; S105-H116 PolarHBondContact OG-NE2 3.2Å; V114-H116 PolarHBondContact O-CD2 3.19Å
117	V	95.9	Very high	92.7	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.1	172.8	177.4	0	0	0	0	108.3	F93 L101 L102 W119 S130 W133 F173	F93-V117 HydrophobicContact CD2-CG1 4.46Å; L101-V117 CarbonylContact O-C 3.44Å; L101-V117 WeakPolarHBondContact O-CA 3.49Å; L102-V117 HydrophobicContact CD1-CG2 3.62Å; V117-W119 HydrophobicContact CG1-CD2 4.08Å; V117-W119 HydrophobicContact CG1-CE3 4.31Å; V117-W119 HydrophobicContact CG1-CH2 4.03Å; V117-W119 HydrophobicContact CG1-CZ2 3.75Å; V117-W119 HydrophobicContact CG1-CZ3 4.3Å; V117-S130 VanDerWaalsContact O-CB 3.25Å; V117-S130 WeakPolarHBondContact O-CB 3.12Å; V117-W133 HydrophobicContact CG2-CZ3 3.93Å; V117-F173 HydrophobicContact CB-CE2 4.33Å; V117-F173 HydrophobicContact CG1-CE2 4.12Å; V117-F173 HydrophobicContact CG1-CZ 4.32Å; V117-F173 HydrophobicContact CG2-CE2 3.78Å; V117-F173 HydrophobicContact CG2-CZ 4.05Å
118	C	95.8	Very high	92	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.2	173.3	-63.5	0	0	0	0	109	L101 I103 F125 S126 C127	L101-C118 HydrophobicContact CB-CB 4.16Å; L101-C118 PolarHBondContact N-O 3.19Å; L101-C118 PolarHBondContact O-N 2.87Å; I103-C118 VanDerWaalsContact CD1-SG 3.57Å; C118-F125 HydrophobicContact CB-CB 4.33Å; C118-S126 WeakPolarHBondContact CA-O 3.45Å; C118-C127 HydrophobicContact CB-CB 4.08Å; C118-C127 WeakPolarHBondContact CB-SG 3.13Å; C118-C127 WeakPolarHBondContact SG-CB 3.41Å; C118-C127 CovalentContact SG-SG 2.03Å; C118-C127 PolarHBondContact SG-SG 3.31Å
119	W	94.7	Very high	90.9	Very high	22 Å²	22	50.4 Å²	50.4	8%	0.083	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-78.8	129.2	-177.1	-55.1	101.6	0	0	0	111.2	F93 D94 D100 V117 F125 S126 R171 F173	F93-W119 HydrophobicContact CB-CH2 4.23Å; F93-W119 HydrophobicContact CB-CZ3 3.81Å; D94-W119 HydrophobicContact CB-CE3 4.26Å; D94-W119 HydrophobicContact CB-CZ3 3.86Å; D100-W119 VanDerWaalsContact OD1-CA 3.24Å; D100-W119 WeakPolarHBondContact OD1-CA 3.37Å; V117-W119 HydrophobicContact CG1-CD2 4.08Å; V117-W119 HydrophobicContact CG1-CE3 4.31Å; V117-W119 HydrophobicContact CG1-CH2 4.03Å; V117-W119 HydrophobicContact CG1-CZ2 3.75Å; V117-W119 HydrophobicContact CG1-CZ3 4.3Å; W119-F125 CarbonylContact O-C 3.58Å; W119-F125 WeakPolarHBondContact O-CA 3.13Å; W119-S126 PolarHBondContact N-O 3.08Å; W119-S126 PolarHBondContact O-N 3.25Å; W119-R171 VanDerWaalsContact CB-NH1 3.29Å; W119-R171 HydrophobicContact CD2-CB 3.87Å; W119-R171 HydrophobicContact CD2-CG 3.8Å; W119-R171 HydrophobicContact CE3-CB 4.14Å; W119-R171 HydrophobicContact CE3-CG 3.8Å; W119-R171 HydrophobicContact CG-CG 4.32Å; W119-R171 HydrophobicContact CH2-CB 3.95Å; W119-R171 HydrophobicContact CH2-CG 4.38Å; W119-R171 VanDerWaalsContact CZ2-C 3.4Å; W119-R171 HydrophobicContact CZ2-CB 3.67Å; W119-R171 HydrophobicContact CZ2-CG 4.4Å; W119-R171 WeakPolarHBondContact CZ2-O 3.37Å; W119-R171 HydrophobicContact CZ3-CB 4.16Å; W119-R171 HydrophobicContact CZ3-CG 4.07Å; W119-F173 HydrophobicContact CH2-CD2 4.41Å; W119-F173 AromaticContact CH2-CE2 3.53Å; W119-F173 HydrophobicContact CH2-CE2 3.53Å; W119-F173 AromaticContact CH2-CZ 3.89Å; W119-F173 HydrophobicContact CH2-CZ 3.89Å; W119-F173 AromaticContact CZ2-CE2 3.78Å; W119-F173 HydrophobicContact CZ2-CE2 3.78Å
120	G	93.7	Very high	89.6	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.01	26%	0.257	C	S	.	.			trans	-72.4	162	177	0	0	0	0	0	113.3	P99 D100 R171	P99-G120 VanDerWaalsContact O-CA 3.31Å; P99-G120 WeakPolarHBondContact O-CA 3.45Å; D100-G120 PolarHBondContact OD1-N 3.22Å; G120-R171 PolarHBondContact O-NH2 2.82Å
121	S	91.6	Very high	88.5	Confident	34 Å²	34	49.3 Å²	49.3	24%	0.238	27%	0.268	C	S	.	.			trans	-164.1	176.3	167.3	69.4	0	0	0	0	109.5	F98 V123 E124	F98-S121 VanDerWaalsContact CD1-C 3.44Å; S121-V123 PolarHBondContact O-N 3.36Å; S121-V123 PolarHBondContact OG-N 3.22Å; S121-E124 PolarHBondContact N-O 3.06Å; S121-E124 PolarHBondContact OG-N 2.95Å; S121-E124 PolarHBondContact OG-O 3.1Å
122	N	86.3	Confident	88.1	Confident	92 Å²	92	50.8 Å²	50.8	49%	0.492	26%	0.264	S	S	.	.	S	Bend	trans	-67.4	-11.5	172.1	64.3	-24.6	0	0	0	114.4	Y75 F98	Y75-N122 PolarHBondContact OH-O 3.48Å; F98-N122 HydrophobicContact CE1-CB 3.65Å; F98-N122 VanDerWaalsContact CE1-N 3.3Å; F98-N122 HydrophobicContact CZ-CB 3.9Å
123	V	88.5	Confident	88.1	Confident	84 Å²	84	50.7 Å²	50.7	51%	0.509	26%	0.26	S	S	.	.	S	Bend	trans	-111.7	-50.4	-175.3	-176.6	0	0	0	0	112.6	R74 S121	R74-V123 WeakPolarHBondContact CG-O 3.42Å; S121-V123 PolarHBondContact O-N 3.36Å; S121-V123 PolarHBondContact OG-N 3.22Å
124	E	93.3	Very high	88.2	Confident	111 Å²	111	55.7 Å²	55.7	52%	0.519	29%	0.285	S	S	.	.			trans	-154.9	171	-170.2	66.9	179.2	-177.4	0	0	112.7	S121	S121-E124 PolarHBondContact N-O 3.06Å; S121-E124 PolarHBondContact OG-N 2.95Å; S121-E124 PolarHBondContact OG-O 3.1Å
125	F	94.8	Very high	88.1	Confident	17 Å²	17	55.7 Å²	55.7	8%	0.075	29%	0.285	C	S	.	.			trans	-96	129.8	165.6	-73.2	-69.5	0	0	0	110.5	I40 V59 Y75 V77 P99 L101 C118 W119	I40-F125 HydrophobicContact CD1-CE2 4.15Å; I40-F125 HydrophobicContact CD1-CZ 4.01Å; V59-F125 HydrophobicContact CG2-CE2 4Å; Y75-F125 HydrophobicContact CD1-CD2 4.26Å; Y75-F125 HydrophobicContact CD1-CE2 4.16Å; Y75-F125 HydrophobicContact CG-CE2 4.35Å; Y75-F125 WeakPolarHBondContact O-CD2 3.26Å; V77-F125 HydrophobicContact CG2-CB 3.53Å; V77-F125 HydrophobicContact CG2-CD2 3.82Å; V77-F125 HydrophobicContact CG2-CG 3.88Å; P99-F125 VanDerWaalsContact O-CE1 3.27Å; P99-F125 WeakPolarHBondContact O-CE1 3.08Å; L101-F125 HydrophobicContact CD1-CD1 4.12Å; L101-F125 HydrophobicContact CD1-CD2 4.21Å; L101-F125 HydrophobicContact CD1-CE1 3.93Å; L101-F125 HydrophobicContact CD1-CE2 4.02Å; L101-F125 HydrophobicContact CD1-CG 4.27Å; L101-F125 HydrophobicContact CD1-CZ 3.89Å; L101-F125 HydrophobicContact CD2-CE1 3.93Å; L101-F125 HydrophobicContact CD2-CZ 3.94Å; L101-F125 HydrophobicContact CG-CD1 3.98Å; L101-F125 HydrophobicContact CG-CE1 3.57Å; L101-F125 HydrophobicContact CG-CZ 3.89Å; C118-F125 HydrophobicContact CB-CB 4.33Å; W119-F125 CarbonylContact O-C 3.58Å; W119-F125 WeakPolarHBondContact O-CA 3.13Å
126	S	93.7	Very high	88	Confident	41 Å²	41	56.7 Å²	56.7	29%	0.287	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-105.5	108.2	175.1	-174.9	0	0	0	0	111.4	C118 W119	C118-S126 WeakPolarHBondContact CA-O 3.45Å; W119-S126 PolarHBondContact N-O 3.08Å; W119-S126 PolarHBondContact O-N 3.25Å
127	C	90	Very high	87.9	Confident	27 Å²	27	57 Å²	57	18%	0.182	29%	0.293	C	S	.	.			trans	-101.9	7.3	178.7	-47.8	0	0	0	0	113.3	V77 C118	V77-C127 WeakPolarHBondContact CG1-SG 3.43Å; C118-C127 HydrophobicContact CB-CB 4.08Å; C118-C127 WeakPolarHBondContact CB-SG 3.13Å; C118-C127 WeakPolarHBondContact SG-CB 3.41Å; C118-C127 CovalentContact SG-SG 2.03Å; C118-C127 PolarHBondContact SG-SG 3.31Å
128	F	77.6	Confident	87.9	Confident	170 Å²	170	56.9 Å²	56.9	75%	0.746	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	139.1	-176.4	-65.8	-78.2	0	0	0	111	S130	F128-S130 PolarHBondContact O-N 2.74Å
129	H	66.4	Low	87.9	Confident	195 Å²	195	57 Å²	57	90%	0.903	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	15.8	-178.6	-50.6	88.3	0	0	0	115.6	T131	H129-T131 PolarHBondContact O-N 3.43Å; H129-T131 VanDerWaalsContact O-N 3.17Å
130	S	62.8	Low	88.1	Confident	22 Å²	22	56.1 Å²	56.1	15%	0.154	29%	0.29	C	S	.	.			trans	-60	123.8	171	69.5	0	0	0	0	109.1	V117 F128 Q132	V117-S130 VanDerWaalsContact O-CB 3.25Å; V117-S130 WeakPolarHBondContact O-CB 3.12Å; F128-S130 PolarHBondContact O-N 2.74Å; S130-Q132 PolarHBondContact O-N 3.38Å
131	T	68.6	Low	88.3	Confident	88 Å²	88	56.1 Å²	56.1	54%	0.54	29%	0.29	S	S	.	.			trans	-56.8	127.2	170.9	-62	0	0	0	0	107.4	H129 W133	H129-T131 PolarHBondContact O-N 3.43Å; H129-T131 VanDerWaalsContact O-N 3.17Å; T131-W133 HydrophobicContact CG2-CD2 4.3Å; T131-W133 HydrophobicContact CG2-CH2 4.49Å; T131-W133 HydrophobicContact CG2-CZ2 3.84Å; T131-W133 VanDerWaalsContact O-CE3 3.23Å; T131-W133 VanDerWaalsContact O-CZ3 3.3Å; T131-W133 WeakPolarHBondContact O-CZ3 3.46Å
132	Q	81.8	Confident	88.5	Confident	97 Å²	97	54.7 Å²	54.7	45%	0.453	28%	0.28	S	S	.	.			trans	-89.3	113.9	179	-74	176.6	-17.2	0	0	108.1	Y83 V114 S130	Y83-Q132 PolarHBondContact OH-NE2 3.33Å; Y83-Q132 PolarHBondContact OH-OE1 3.37Å; V114-Q132 HydrophobicContact CG1-CB 4.12Å; V114-Q132 HydrophobicContact CG1-CG 4.19Å; S130-Q132 PolarHBondContact O-N 3.38Å
133	W	93.7	Very high	89	Confident	46 Å²	46	50.5 Å²	50.5	17%	0.174	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140.3	168.8	-57.7	-82.6	0	0	0	109.9	V114 V115 V117 T131 F135 F152 F165 F173	V114-W133 WeakPolarHBondContact CA-O 3.19Å; V115-W133 HydrophobicContact CG1-CE3 4.42Å; V115-W133 PolarHBondContact N-O 2.91Å; V115-W133 PolarHBondContact O-N 2.83Å; V117-W133 HydrophobicContact CG2-CZ3 3.93Å; T131-W133 HydrophobicContact CG2-CD2 4.3Å; T131-W133 HydrophobicContact CG2-CH2 4.49Å; T131-W133 HydrophobicContact CG2-CZ2 3.84Å; T131-W133 VanDerWaalsContact O-CE3 3.23Å; T131-W133 VanDerWaalsContact O-CZ3 3.3Å; T131-W133 WeakPolarHBondContact O-CZ3 3.46Å; W133-F135 HydrophobicContact CB-CD1 4.35Å; W133-F135 HydrophobicContact CB-CD2 4.43Å; W133-F135 HydrophobicContact CB-CE1 3.6Å; W133-F135 HydrophobicContact CB-CE2 3.7Å; W133-F135 HydrophobicContact CB-CZ 3.22Å; W133-F135 HydrophobicContact CG-CE1 4.27Å; W133-F135 HydrophobicContact CG-CE2 4.45Å; W133-F135 AromaticContact CG-CZ 3.74Å; W133-F135 HydrophobicContact CG-CZ 3.74Å; W133-F152 HydrophobicContact CD2-CZ 4.43Å; W133-F152 HydrophobicContact CE3-CZ 4.08Å; W133-F152 HydrophobicContact CH2-CZ 4.39Å; W133-F152 HydrophobicContact CZ3-CE1 4.46Å; W133-F152 HydrophobicContact CZ3-CZ 4.05Å; W133-F165 AromaticContact CD1-CE1 3.66Å; W133-F165 HydrophobicContact CD2-CE1 4.43Å; W133-F165 AromaticContact CE2-CE1 3.94Å; W133-F165 HydrophobicContact CG-CE1 4.28Å; W133-F165 HydrophobicContact CZ2-CD1 4.33Å; W133-F165 AromaticContact NE1-CE1 3.43Å; W133-F173 HydrophobicContact CH2-CB 4.28Å; W133-F173 AromaticContact CH2-CD2 3.57Å; W133-F173 HydrophobicContact CH2-CD2 3.57Å; W133-F173 HydrophobicContact CH2-CE2 4.19Å; W133-F173 HydrophobicContact CH2-CG 4.12Å; W133-F173 HydrophobicContact CZ2-CB 4.17Å; W133-F173 HydrophobicContact CZ2-CD2 4.28Å; W133-F173 HydrophobicContact CZ2-CG 4.5Å; W133-F173 HydrophobicContact CZ3-CD2 4.43Å
134	I	95.3	Very high	89.4	Confident	111 Å²	111	46.8 Å²	46.8	57%	0.569	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.4	177.1	-56.9	176.3	0	0	0	106.7	D112 Y113 V114	D112-I134 HydrophobicContact CB-CG2 3.75Å; Y113-I134 WeakPolarHBondContact O-CA 3.34Å; V114-I134 HydrophobicContact CG2-CG1 4.39Å
135	F	95	Very high	89.5	Confident	5 Å²	5	43.8 Å²	43.8	2%	0.022	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	144.7	-179	-56.6	-41.1	0	0	0	110.7	Y113 V115 W133 D137 F152 A154 I156 F165	Y113-F135 PolarHBondContact N-O 2.59Å; Y113-F135 PolarHBondContact O-N 3.01Å; V115-F135 HydrophobicContact CB-CD2 4.34Å; V115-F135 HydrophobicContact CB-CE2 4.16Å; V115-F135 HydrophobicContact CG2-CD2 3.53Å; V115-F135 HydrophobicContact CG2-CE2 3.79Å; W133-F135 HydrophobicContact CB-CD1 4.35Å; W133-F135 HydrophobicContact CB-CD2 4.43Å; W133-F135 HydrophobicContact CB-CE1 3.6Å; W133-F135 HydrophobicContact CB-CE2 3.7Å; W133-F135 HydrophobicContact CB-CZ 3.22Å; W133-F135 HydrophobicContact CG-CE1 4.27Å; W133-F135 HydrophobicContact CG-CE2 4.45Å; W133-F135 AromaticContact CG-CZ 3.74Å; W133-F135 HydrophobicContact CG-CZ 3.74Å; F135-D137 WeakPolarHBondContact CB-O 3.28Å; F135-D137 PolarHBondContact O-N 3.33Å; F135-F152 AromaticContact CE2-CE2 3.98Å; F135-F152 HydrophobicContact CE2-CE2 3.98Å; F135-F152 HydrophobicContact CZ-CE2 4.17Å; F135-A154 HydrophobicContact CD1-CB 4.4Å; F135-A154 HydrophobicContact CD2-CB 3.84Å; F135-A154 HydrophobicContact CE1-CB 4.24Å; F135-A154 HydrophobicContact CE2-CB 3.66Å; F135-A154 HydrophobicContact CG-CB 4.22Å; F135-A154 HydrophobicContact CZ-CB 3.86Å; F135-I156 HydrophobicContact CD1-CB 4.29Å; F135-I156 HydrophobicContact CD1-CG2 4.03Å; F135-I156 HydrophobicContact CE1-CB 4.38Å; F135-I156 HydrophobicContact CE1-CG2 3.71Å; F135-F165 HydrophobicContact CE1-CE2 4.06Å; F135-F165 AromaticContact CE1-CZ 3.83Å; F135-F165 HydrophobicContact CE1-CZ 3.83Å; F135-F165 HydrophobicContact CE2-CE2 4.49Å; F135-F165 HydrophobicContact CZ-CD2 4.43Å; F135-F165 HydrophobicContact CZ-CE1 4.37Å; F135-F165 AromaticContact CZ-CE2 3.57Å; F135-F165 HydrophobicContact CZ-CE2 3.57Å; F135-F165 AromaticContact CZ-CZ 3.53Å; F135-F165 HydrophobicContact CZ-CZ 3.53Å
136	P	93.4	Very high	89.4	Confident	20 Å²	20	43.4 Å²	43.4	13%	0.13	22%	0.222	C	C	.	.	S	Bend	trans	-68	-14.5	172.8	29.7	-39.2	0	0	0	113.7	V155 I156 R188	P136-V155 WeakPolarHBondContact CD-O 3.3Å; P136-V155 WeakPolarHBondContact CG-O 3.38Å; P136-I156 WeakPolarHBondContact CD-O 3.37Å; P136-R188 VanDerWaalsContact CB-NH1 3.3Å; P136-R188 PolarHBondContact O-NH1 2.61Å
137	D	93.3	Very high	89.4	Confident	10 Å²	10	44.4 Å²	44.4	5%	0.053	22%	0.224	C	C	.	.	S	Bend	trans	-142.1	175.4	168.1	-122.1	-41.6	0	0	0	113.8	Y113 F135 R188 P189 F190 H488	Y113-D137 WeakPolarHBondContact CE2-OD1 3.32Å; F135-D137 WeakPolarHBondContact CB-O 3.28Å; F135-D137 PolarHBondContact O-N 3.33Å; D137-R188 VanDerWaalsContact CB-NH1 3.3Å; D137-R188 IonicContact OD2-NH1 3.13Å; D137-P189 WeakPolarHBondContact OD2-CA 3.48Å; D137-F190 HydrophobicContact CB-CB 3.89Å; D137-F190 WeakPolarHBondContact OD2-CB 3.37Å; D137-F190 PolarHBondContact OD2-N 3.15Å; D137-H488 IonicContact OD1-CE1 3.93Å; D137-H488 PolarHBondContact OD1-CE1 3.37Å; D137-H488 IonicContact OD1-NE2 3.65Å; D137-H488 PolarHBondContact OD1-NE2 2.8Å; D137-H488 VanDerWaalsContact OD1-NE2 3.14Å
138	Q	95.5	Very high	89.5	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.225	C	C	.	.			trans	-73.5	144.1	176.2	-57.2	-175.3	21.3	0	0	112.4	N87 Y113 H488	N87-Q138 PolarHBondContact ND2-OE1 3.15Å; Y113-Q138 HydrophobicContact CD1-CG 3.8Å; Y113-Q138 HydrophobicContact CD2-CG 4.18Å; Y113-Q138 HydrophobicContact CE1-CG 3.65Å; Y113-Q138 VanDerWaalsContact CE1-NE2 3.26Å; Y113-Q138 HydrophobicContact CE2-CG 4.04Å; Y113-Q138 HydrophobicContact CG-CG 4.05Å; Q138-H488 PolarHBondContact NE2-ND1 2.76Å
139	P	97	Very high	90.3	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.019	19%	0.193	C	C	.	.			trans	-78.6	165.8	177.2	33.8	-36.3	0	0	0	112.8	L102 S104 V115 F152 F153 A154	L102-P139 HydrophobicContact CD2-CB 4.12Å; L102-P139 HydrophobicContact CD2-CG 3.51Å; L102-P139 HydrophobicContact CG-CG 4.14Å; S104-P139 WeakPolarHBondContact OG-CD 3.24Å; V115-P139 HydrophobicContact CG1-CG 4.36Å; V115-P139 HydrophobicContact CG2-CG 4.09Å; P139-F152 HydrophobicContact CB-CB 4.34Å; P139-F152 HydrophobicContact CB-CD2 3.75Å; P139-F152 HydrophobicContact CB-CG 4.39Å; P139-F152 HydrophobicContact CG-CD2 4.44Å; P139-F153 CarbonylContact C-O 3.24Å; P139-F153 VanDerWaalsContact CA-O 3.27Å; P139-F153 WeakPolarHBondContact CA-O 3.15Å; P139-F153 WeakPolarHBondContact CB-O 3.32Å; P139-A154 HydrophobicContact CB-CB 4.16Å
140	Q	97.6	Very high	91.7	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.014	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.5	172.7	173.9	61.2	37.2	0	0	110.4	L142 F152 F153 P192 Y484 S486	Q140-L142 HydrophobicContact CG-CD2 4.45Å; Q140-L142 VanDerWaalsContact O-CD2 3.25Å; Q140-L142 WeakPolarHBondContact O-CD2 3.45Å; Q140-F152 CarbonylContact O-C 3.53Å; Q140-F152 WeakPolarHBondContact O-CA 3.45Å; Q140-F152 WeakPolarHBondContact O-CB 3.41Å; Q140-F153 PolarHBondContact N-O 3.25Å; Q140-F153 PolarHBondContact O-N 3.22Å; Q140-P192 HydrophobicContact CB-CB 4.49Å; Q140-P192 HydrophobicContact CB-CG 3.43Å; Q140-P192 VanDerWaalsContact CB-CG 3.43Å; Q140-P192 HydrophobicContact CG-CB 4.44Å; Q140-P192 HydrophobicContact CG-CG 3.72Å; Q140-Y484 PolarHBondContact NE2-O 2.91Å; Q140-S486 WeakPolarHBondContact CA-OG 3.44Å; Q140-S486 PolarHBondContact OE1-OG 2.67Å
141	V	97.8	Very high	93.4	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	133.5	172.7	176	0	0	0	0	109.6	A89 S91 F93 L102 D151 P460 S486	A89-V141 HydrophobicContact CB-CG2 3.61Å; S91-V141 WeakPolarHBondContact OG-CG1 3.32Å; F93-V141 HydrophobicContact CE1-CG2 4.4Å; F93-V141 HydrophobicContact CZ-CG2 4.05Å; L102-V141 HydrophobicContact CD2-CG2 3.97Å; V141-D151 WeakPolarHBondContact CA-O 3.25Å; V141-P460 HydrophobicContact CG1-CG 3.99Å; V141-S486 PolarHBondContact N-OG 2.72Å
142	L	97.2	Very high	94.8	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	170.2	177.1	70.1	175.5	0	0	0	108.6	Q140 D151 F153 F178 I194 I205	Q140-L142 HydrophobicContact CG-CD2 4.45Å; Q140-L142 VanDerWaalsContact O-CD2 3.25Å; Q140-L142 WeakPolarHBondContact O-CD2 3.45Å; L142-D151 PolarHBondContact N-O 2.96Å; L142-D151 VanDerWaalsContact N-O 3.17Å; L142-D151 CarbonylContact O-C 3.55Å; L142-D151 WeakPolarHBondContact O-CA 3.4Å; L142-D151 WeakPolarHBondContact O-CB 3.2Å; L142-D151 PolarHBondContact O-N 3.31Å; L142-F153 HydrophobicContact CD2-CB 3.57Å; L142-F178 HydrophobicContact CD1-CE1 4.46Å; L142-I194 HydrophobicContact CB-CD1 3.88Å; L142-I194 HydrophobicContact CD1-CD1 4.5Å; L142-I205 HydrophobicContact CD1-CD1 3.67Å; L142-I205 HydrophobicContact CD1-CG1 4.12Å
143	D	95.8	Very high	95.5	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.021	10%	0.096	C	C	.	.			trans	-97.6	104.8	166.9	179.3	-10.3	0	0	0	108.2	N145 C146 D147 Q148 W459	D143-N145 PolarHBondContact OD1-N 3.22Å; D143-N145 PolarHBondContact OD1-OD1 2.94Å; D143-N145 VanDerWaalsContact OD1-OD1 3.08Å; D143-C146 WeakPolarHBondContact OD1-CA 2.94Å; D143-C146 PolarHBondContact OD1-N 3.16Å; D143-C146 VanDerWaalsContact OD2-C 3.3Å; D143-C146 WeakPolarHBondContact OD2-CA 2.93Å; D143-D147 PolarHBondContact OD1-N 3.16Å; D143-D147 VanDerWaalsContact OD1-N 3.15Å; D143-D147 PolarHBondContact OD2-N 2.77Å; D143-D147 VanDerWaalsContact OD2-N 3.15Å; D143-Q148 WeakPolarHBondContact OD2-CA 3.11Å; D143-Q148 PolarHBondContact OD2-N 2.92Å; D143-W459 HydrophobicContact CB-CH2 4.18Å; D143-W459 HydrophobicContact CB-CZ2 3.59Å; D143-W459 WeakPolarHBondContact OD2-CZ2 3.41Å
144	C	96.4	Very high	95.6	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.034	9%	0.088	C	C	.	.	S	Bend	trans	-76.6	-32.2	-170.9	-71.6	0	0	0	0	113.1	D151 C164 L166 F178 W233	C144-D151 HydrophobicContact CB-CB 4.32Å; C144-D151 WeakPolarHBondContact CB-OD2 3.31Å; C144-D151 PolarHBondContact N-OD2 2.76Å; C144-C164 HydrophobicContact CB-CB 3.72Å; C144-C164 WeakPolarHBondContact CB-SG 3.4Å; C144-C164 WeakPolarHBondContact SG-CB 3.49Å; C144-C164 CovalentContact SG-SG 2.01Å; C144-C164 PolarHBondContact SG-SG 2.92Å; C144-L166 HydrophobicContact CB-CD2 3.98Å; C144-F178 HydrophobicContact CB-CD2 4.4Å; C144-F178 HydrophobicContact CB-CE2 3.89Å; C144-F178 HydrophobicContact CB-CZ 4.1Å; C144-W233 PolarHBondContact O-NE1 2.97Å
145	N	95.1	Very high	95.6	Very high	48 Å²	48	11.5 Å²	11.5	26%	0.257	6%	0.062	S	C	.	.	S	Bend	trans	-109.4	3	-174.6	70	-1.5	0	0	0	112.8	D143 D147 L166 W517	D143-N145 PolarHBondContact OD1-N 3.22Å; D143-N145 PolarHBondContact OD1-OD1 2.94Å; D143-N145 VanDerWaalsContact OD1-OD1 3.08Å; N145-D147 VanDerWaalsContact C-N 3.31Å; N145-D147 VanDerWaalsContact ND2-CG 3.35Å; N145-D147 PolarHBondContact ND2-OD2 2.7Å; N145-D147 PolarHBondContact O-N 3.35Å; N145-D147 VanDerWaalsContact OD1-CB 3.27Å; N145-D147 WeakPolarHBondContact OD1-CB 3.07Å; N145-D147 PolarHBondContact OD1-N 3.29Å; N145-D147 VanDerWaalsContact OD1-N 3.09Å; N145-D147 PolarHBondContact OD1-OD1 3.07Å; N145-D147 PolarHBondContact OD1-OD2 2.89Å; N145-L166 HydrophobicContact CB-CD2 4.26Å; N145-W517 PolarHBondContact O-NE1 2.89Å
146	C	93.6	Very high	95.5	Very high	9 Å²	9	14.2 Å²	14.2	6%	0.061	8%	0.077	C	C	.	.	S	Bend	trans	53.2	42.8	-176.5	-50.5	0	0	0	0	113	D143 Q148 T516 W517	D143-C146 WeakPolarHBondContact OD1-CA 2.94Å; D143-C146 PolarHBondContact OD1-N 3.16Å; D143-C146 VanDerWaalsContact OD2-C 3.3Å; D143-C146 WeakPolarHBondContact OD2-CA 2.93Å; C146-Q148 PolarHBondContact O-NE2 3.12Å; C146-T516 VanDerWaalsContact SG-CA 3.59Å; C146-W517 HydrophobicContact CB-CD2 4.22Å; C146-W517 HydrophobicContact CB-CG 4.16Å; C146-W517 HydrophobicContact CB-CZ2 4.38Å
147	D	93.5	Very high	95.3	Very high	62 Å²	62	15.3 Å²	15.3	33%	0.332	8%	0.081	S	C	.	.	S	Bend	trans	-97.5	7.4	178.3	78.8	5.5	0	0	0	114.6	D143 N145 L149	D143-D147 PolarHBondContact OD1-N 3.16Å; D143-D147 VanDerWaalsContact OD1-N 3.15Å; D143-D147 PolarHBondContact OD2-N 2.77Å; D143-D147 VanDerWaalsContact OD2-N 3.15Å; N145-D147 VanDerWaalsContact C-N 3.31Å; N145-D147 VanDerWaalsContact ND2-CG 3.35Å; N145-D147 PolarHBondContact ND2-OD2 2.7Å; N145-D147 PolarHBondContact O-N 3.35Å; N145-D147 VanDerWaalsContact OD1-CB 3.27Å; N145-D147 WeakPolarHBondContact OD1-CB 3.07Å; N145-D147 PolarHBondContact OD1-N 3.29Å; N145-D147 VanDerWaalsContact OD1-N 3.09Å; N145-D147 PolarHBondContact OD1-OD1 3.07Å; N145-D147 PolarHBondContact OD1-OD2 2.89Å; D147-L149 VanDerWaalsContact C-N 3.27Å; D147-L149 PolarHBondContact O-N 2.79Å; D147-L149 VanDerWaalsContact OD1-CB 3.26Å; D147-L149 WeakPolarHBondContact OD1-CB 3.24Å; D147-L149 PolarHBondContact OD1-N 3.01Å
148	Q	92	Very high	94.8	Very high	45 Å²	45	23.4 Å²	23.4	21%	0.21	11%	0.111	C	C	.	.	S	Bend	trans	69.5	18.4	180	-63.4	70.9	68.9	0	0	113.9	D143 C146 P442 L443 W459 A540	D143-Q148 WeakPolarHBondContact OD2-CA 3.11Å; D143-Q148 PolarHBondContact OD2-N 2.92Å; C146-Q148 PolarHBondContact O-NE2 3.12Å; Q148-P442 HydrophobicContact CB-CG 3.87Å; Q148-P442 HydrophobicContact CG-CB 3.93Å; Q148-P442 HydrophobicContact CG-CG 3.59Å; Q148-L443 HydrophobicContact CB-CD2 3.79Å; Q148-L443 HydrophobicContact CB-CG 4.19Å; Q148-L443 VanDerWaalsContact O-CD1 3.23Å; Q148-L443 WeakPolarHBondContact O-CD1 3.46Å; Q148-L443 VanDerWaalsContact O-CG 3.31Å; Q148-L443 WeakPolarHBondContact O-CG 3.15Å; Q148-W459 WeakPolarHBondContact O-CH2 3.42Å; Q148-A540 HydrophobicContact CG-CB 3.77Å
149	L	94.8	Very high	94.3	Very high	13 Å²	13	33.8 Å²	33.8	7%	0.068	15%	0.15	C	C	.	.	S	Bend	trans	-104.7	150.1	164.4	-59.6	173	0	0	0	110.9	G95 D147 D151 L443	G95-L149 VanDerWaalsContact CA-CD2 3.46Å; D147-L149 VanDerWaalsContact C-N 3.27Å; D147-L149 PolarHBondContact O-N 2.79Å; D147-L149 VanDerWaalsContact OD1-CB 3.26Å; D147-L149 WeakPolarHBondContact OD1-CB 3.24Å; D147-L149 PolarHBondContact OD1-N 3.01Å; L149-D151 PolarHBondContact O-N 2.85Å; L149-L443 HydrophobicContact CD2-CD1 3.99Å
150	G	95.9	Very high	93.8	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.01	16%	0.156	C	C	.	.			trans	-66.1	132.8	168.6	0	0	0	0	0	110.3	S91 D92 F93	S91-G150 WeakPolarHBondContact OG-CA 3.49Å; D92-G150 WeakPolarHBondContact O-CA 3.41Å; D92-G150 PolarHBondContact O-N 2.99Å; F93-G150 VanDerWaalsContact CD1-O 3.25Å; F93-G150 WeakPolarHBondContact CD1-O 3.2Å
151	D	97.9	Very high	93.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	176.8	169.1	-56	-36.8	0	0	0	110.1	V141 L142 C144 L149 F165 L166 G167	V141-D151 WeakPolarHBondContact CA-O 3.25Å; L142-D151 PolarHBondContact N-O 2.96Å; L142-D151 VanDerWaalsContact N-O 3.17Å; L142-D151 CarbonylContact O-C 3.55Å; L142-D151 WeakPolarHBondContact O-CA 3.4Å; L142-D151 WeakPolarHBondContact O-CB 3.2Å; L142-D151 PolarHBondContact O-N 3.31Å; C144-D151 HydrophobicContact CB-CB 4.32Å; C144-D151 WeakPolarHBondContact CB-OD2 3.31Å; C144-D151 PolarHBondContact N-OD2 2.76Å; L149-D151 PolarHBondContact O-N 2.85Å; D151-F165 WeakPolarHBondContact CB-O 3.27Å; D151-L166 WeakPolarHBondContact OD1-CA 3.39Å; D151-L166 VanDerWaalsContact OD2-CD2 3.28Å; D151-L166 WeakPolarHBondContact OD2-CD2 3.25Å; D151-G167 PolarHBondContact OD1-N 3.48Å
152	F	97.7	Very high	93.3	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	139.5	163.9	67.3	-91.6	0	0	0	113.8	F93 L102 W133 F135 P139 Q140 F165 F173	F93-F152 HydrophobicContact CE1-CD1 4.24Å; L102-F152 HydrophobicContact CD1-CD1 4Å; L102-F152 HydrophobicContact CD1-CE1 4.04Å; L102-F152 HydrophobicContact CD1-CG 4.39Å; L102-F152 HydrophobicContact CD1-CZ 4.46Å; L102-F152 HydrophobicContact CD2-CB 3.74Å; L102-F152 HydrophobicContact CD2-CD1 4.13Å; L102-F152 HydrophobicContact CD2-CD2 4.4Å; L102-F152 HydrophobicContact CD2-CG 3.85Å; W133-F152 HydrophobicContact CD2-CZ 4.43Å; W133-F152 HydrophobicContact CE3-CZ 4.08Å; W133-F152 HydrophobicContact CH2-CZ 4.39Å; W133-F152 HydrophobicContact CZ3-CE1 4.46Å; W133-F152 HydrophobicContact CZ3-CZ 4.05Å; F135-F152 AromaticContact CE2-CE2 3.98Å; F135-F152 HydrophobicContact CE2-CE2 3.98Å; F135-F152 HydrophobicContact CZ-CE2 4.17Å; P139-F152 HydrophobicContact CB-CB 4.34Å; P139-F152 HydrophobicContact CB-CD2 3.75Å; P139-F152 HydrophobicContact CB-CG 4.39Å; P139-F152 HydrophobicContact CG-CD2 4.44Å; Q140-F152 CarbonylContact O-C 3.53Å; Q140-F152 WeakPolarHBondContact O-CA 3.45Å; Q140-F152 WeakPolarHBondContact O-CB 3.41Å; F152-F165 HydrophobicContact CD1-CB 3.89Å; F152-F165 HydrophobicContact CD2-CB 3.94Å; F152-F165 AromaticContact CD2-CD2 3.7Å; F152-F165 HydrophobicContact CD2-CD2 3.7Å; F152-F165 HydrophobicContact CD2-CG 4.05Å; F152-F165 HydrophobicContact CE1-CB 3.5Å; F152-F165 VanDerWaalsContact CE1-CB 3.5Å; F152-F165 HydrophobicContact CE1-CG 4.08Å; F152-F165 HydrophobicContact CE2-CB 3.55Å; F152-F165 HydrophobicContact CE2-CD1 4.1Å; F152-F165 AromaticContact CE2-CD2 3.17Å; F152-F165 HydrophobicContact CE2-CD2 3.17Å; F152-F165 AromaticContact CE2-CE2 3.85Å; F152-F165 HydrophobicContact CE2-CE2 3.85Å; F152-F165 AromaticContact CE2-CG 3.33Å; F152-F165 HydrophobicContact CE2-CG 3.33Å; F152-F165 HydrophobicContact CG-CB 4.11Å; F152-F165 HydrophobicContact CZ-CB 3.32Å; F152-F165 AromaticContact CZ-CD1 3.84Å; F152-F165 HydrophobicContact CZ-CD1 3.84Å; F152-F165 AromaticContact CZ-CD2 3.75Å; F152-F165 HydrophobicContact CZ-CD2 3.75Å; F152-F165 AromaticContact CZ-CG 3.35Å; F152-F165 HydrophobicContact CZ-CG 3.35Å; F152-F165 PolarHBondContact N-O 2.7Å; F152-F165 PolarHBondContact O-N 3.06Å; F152-F173 HydrophobicContact CD1-CD1 4.11Å; F152-F173 AromaticContact CD1-CE1 3.74Å; F152-F173 HydrophobicContact CD1-CE1 3.74Å; F152-F173 HydrophobicContact CD1-CZ 4.32Å; F152-F173 AromaticContact CE1-CD1 3.62Å; F152-F173 HydrophobicContact CE1-CD1 3.62Å; F152-F173 HydrophobicContact CE1-CD2 4.47Å; F152-F173 AromaticContact CE1-CE1 3.52Å; F152-F173 HydrophobicContact CE1-CE1 3.52Å; F152-F173 HydrophobicContact CE1-CE2 4.38Å; F152-F173 HydrophobicContact CE1-CG 4.09Å; F152-F173 AromaticContact CE1-CZ 3.92Å; F152-F173 HydrophobicContact CE1-CZ 3.92Å
153	F	97.4	Very high	93.3	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.7	172.9	170.6	-130.7	0	0	0	110.5	P139 Q140 L142 V155 R162 I163 F178 L186 F190 L207	P139-F153 CarbonylContact C-O 3.24Å; P139-F153 VanDerWaalsContact CA-O 3.27Å; P139-F153 WeakPolarHBondContact CA-O 3.15Å; P139-F153 WeakPolarHBondContact CB-O 3.32Å; Q140-F153 PolarHBondContact N-O 3.25Å; Q140-F153 PolarHBondContact O-N 3.22Å; L142-F153 HydrophobicContact CD2-CB 3.57Å; F153-V155 HydrophobicContact CZ-CG2 4.38Å; F153-R162 HydrophobicContact CE2-CB 3.74Å; F153-R162 HydrophobicContact CE2-CG 4.18Å; F153-R162 HydrophobicContact CZ-CB 4.1Å; F153-R162 HydrophobicContact CZ-CG 4.03Å; F153-I163 WeakPolarHBondContact CD2-O 3.01Å; F153-F178 HydrophobicContact CB-CD1 4.45Å; F153-F178 HydrophobicContact CB-CE1 4.46Å; F153-F178 AromaticContact CD2-CD1 3.54Å; F153-F178 HydrophobicContact CD2-CD1 3.54Å; F153-F178 HydrophobicContact CD2-CE1 4.23Å; F153-F178 AromaticContact CE2-CD1 3.92Å; F153-F178 HydrophobicContact CE2-CD1 3.92Å; F153-F178 HydrophobicContact CG-CD1 4.03Å; F153-F178 HydrophobicContact CG-CE1 4.26Å; F153-L186 HydrophobicContact CZ-CD1 4.29Å; F153-F190 HydrophobicContact CD1-CE1 4.25Å; F153-F190 AromaticContact CD1-CZ 3.98Å; F153-F190 HydrophobicContact CD1-CZ 3.98Å; F153-F190 HydrophobicContact CE1-CE1 4.09Å; F153-F190 HydrophobicContact CE1-CE2 4.48Å; F153-F190 AromaticContact CE1-CZ 3.51Å; F153-F190 HydrophobicContact CE1-CZ 3.51Å; F153-F190 HydrophobicContact CZ-CZ 4.42Å; F153-L207 HydrophobicContact CD1-CD2 4.41Å; F153-L207 HydrophobicContact CE1-CD1 4.23Å; F153-L207 HydrophobicContact CE1-CD2 3.82Å
154	A	96.1	Very high	93.4	Very high	1 Å²	1	37 Å²	37	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.8	175.2	0	0	0	0	0	112.6	F135 P139 I163 F165	F135-A154 HydrophobicContact CD1-CB 4.4Å; F135-A154 HydrophobicContact CD2-CB 3.84Å; F135-A154 HydrophobicContact CE1-CB 4.24Å; F135-A154 HydrophobicContact CE2-CB 3.66Å; F135-A154 HydrophobicContact CG-CB 4.22Å; F135-A154 HydrophobicContact CZ-CB 3.86Å; P139-A154 HydrophobicContact CB-CB 4.16Å; A154-I163 PolarHBondContact N-O 3.09Å; A154-I163 PolarHBondContact O-N 3.34Å; A154-F165 HydrophobicContact CB-CD2 4.44Å; A154-F165 HydrophobicContact CB-CE2 4.01Å
155	V	94.1	Very high	93.4	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.024	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	106.9	165.7	-173	0	0	0	0	108.2	P136 F153 G161 L186 R188 F190	P136-V155 WeakPolarHBondContact CD-O 3.3Å; P136-V155 WeakPolarHBondContact CG-O 3.38Å; F153-V155 HydrophobicContact CZ-CG2 4.38Å; V155-G161 CarbonylContact C-O 3.55Å; V155-G161 VanDerWaalsContact CA-O 3.26Å; V155-G161 WeakPolarHBondContact CA-O 3.21Å; V155-L186 HydrophobicContact CG2-CD1 3.57Å; V155-R188 VanDerWaalsContact CG1-NH2 3.29Å; V155-F190 HydrophobicContact CG2-CD1 4.32Å; V155-F190 HydrophobicContact CG2-CE1 4.2Å; V155-F190 HydrophobicContact CG2-CZ 4.35Å
156	I	93.1	Very high	93.6	Very high	63 Å²	63	36.2 Å²	36.2	32%	0.323	17%	0.166	S	C	.	.			trans	-81.6	-18.9	-166.2	62.4	160.2	0	0	0	114.1	F135 P136 G161 I163 F165	F135-I156 HydrophobicContact CD1-CB 4.29Å; F135-I156 HydrophobicContact CD1-CG2 4.03Å; F135-I156 HydrophobicContact CE1-CB 4.38Å; F135-I156 HydrophobicContact CE1-CG2 3.71Å; P136-I156 WeakPolarHBondContact CD-O 3.37Å; I156-G161 WeakPolarHBondContact CG1-O 3.42Å; I156-G161 PolarHBondContact N-O 3.44Å; I156-I163 HydrophobicContact CD1-CD1 4.45Å; I156-I163 HydrophobicContact CD1-CG1 3.75Å; I156-I163 HydrophobicContact CG1-CG1 4.06Å; I156-I163 HydrophobicContact CG2-CB 3.88Å; I156-I163 HydrophobicContact CG2-CG1 3.7Å; I156-F165 HydrophobicContact CG2-CE2 4.19Å; I156-F165 HydrophobicContact CG2-CZ 4.22Å
157	D	89.7	Confident	93.7	Very high	42 Å²	42	35.9 Å²	35.9	23%	0.225	16%	0.164	C	C	.	.	S	Bend	trans	-148.2	176.1	-176.2	64.2	45.2	0	0	0	113.2	W159 N160 G161 R188	D157-W159 VanDerWaalsContact C-N 3.25Å; D157-W159 HydrophobicContact CB-CE3 3.81Å; D157-W159 HydrophobicContact CB-CZ3 4.24Å; D157-W159 PolarHBondContact O-N 2.95Å; D157-W159 WeakPolarHBondContact OD1-CA 3.19Å; D157-W159 WeakPolarHBondContact OD1-CB 3.38Å; D157-W159 PolarHBondContact OD1-N 3.13Å; D157-N160 PolarHBondContact OD1-N 3.01Å; D157-G161 PolarHBondContact OD1-N 2.87Å; D157-R188 PolarHBondContact O-NH2 2.84Å
158	R	82.4	Confident	93.9	Very high	180 Å²	180	35.1 Å²	35.1	68%	0.679	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.9	178.6	-63.3	-176.5	-173.3	-107.2	-7.2	113.1	D112 N160	D112-R158 IonicContact OD1-NH2 2.96Å; R158-N160 VanDerWaalsContact C-N 3.28Å
159	W	84.4	Confident	94	Very high	219 Å²	219	40.6 Å²	40.6	83%	0.83	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	13.7	175.3	-55	-75.5	0	0	0	112.4	D157	D157-W159 VanDerWaalsContact C-N 3.25Å; D157-W159 HydrophobicContact CB-CE3 3.81Å; D157-W159 HydrophobicContact CB-CZ3 4.24Å; D157-W159 PolarHBondContact O-N 2.95Å; D157-W159 WeakPolarHBondContact OD1-CA 3.19Å; D157-W159 WeakPolarHBondContact OD1-CB 3.38Å; D157-W159 PolarHBondContact OD1-N 3.13Å
160	N	86.7	Confident	94	Very high	27 Å²	27	45.1 Å²	45.1	14%	0.144	20%	0.203	C	C	.	.			trans	69.4	33.7	176.3	-158.2	61	0	0	0	113.2	D157 R158 R162 L184 L186	D157-N160 PolarHBondContact OD1-N 3.01Å; R158-N160 VanDerWaalsContact C-N 3.28Å; N160-R162 PolarHBondContact ND2-NE 3.41Å; N160-R162 VanDerWaalsContact ND2-NE 3.17Å; N160-R162 WeakPolarHBondContact O-CG 3.32Å; N160-R162 PolarHBondContact O-N 3.02Å; N160-L184 PolarHBondContact ND2-O 3.44Å; N160-L186 WeakPolarHBondContact OD1-CB 3.25Å; N160-L186 VanDerWaalsContact OD1-CG 3.29Å; N160-L186 WeakPolarHBondContact OD1-CG 3.18Å; N160-L186 PolarHBondContact OD1-N 2.75Å
161	G	91.8	Very high	93.9	Very high	19 Å²	19	49.8 Å²	49.8	20%	0.196	22%	0.22	C	C	.	.			trans	-61.5	116.2	169.5	0	0	0	0	0	110.7	V155 I156 D157	V155-G161 CarbonylContact C-O 3.55Å; V155-G161 VanDerWaalsContact CA-O 3.26Å; V155-G161 WeakPolarHBondContact CA-O 3.21Å; I156-G161 WeakPolarHBondContact CG1-O 3.42Å; I156-G161 PolarHBondContact N-O 3.44Å; D157-G161 PolarHBondContact OD1-N 2.87Å
162	R	94.3	Very high	93.7	Very high	8 Å²	8	52.7 Å²	52.7	3%	0.03	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.8	-174.7	-66.9	175.5	-170.2	-160.1	-2.5	109.6	F153 N160 F178 L179 L184 L186 E222	F153-R162 HydrophobicContact CE2-CB 3.74Å; F153-R162 HydrophobicContact CE2-CG 4.18Å; F153-R162 HydrophobicContact CZ-CB 4.1Å; F153-R162 HydrophobicContact CZ-CG 4.03Å; N160-R162 PolarHBondContact ND2-NE 3.41Å; N160-R162 VanDerWaalsContact ND2-NE 3.17Å; N160-R162 WeakPolarHBondContact O-CG 3.32Å; N160-R162 PolarHBondContact O-N 3.02Å; R162-F178 WeakPolarHBondContact CB-O 3.36Å; R162-F178 PolarHBondContact O-N 2.87Å; R162-L179 PolarHBondContact NH1-O 3.08Å; R162-L184 PolarHBondContact NH2-O 3.06Å; R162-L186 HydrophobicContact CG-CD1 4.34Å; R162-E222 IonicContact CZ-OE2 3.1Å; R162-E222 IonicContact NH1-OE2 3.59Å; R162-E222 PolarHBondContact NH1-OE2 2.87Å; R162-E222 IonicContact NH2-OE2 2.8Å; R162-E222 PolarHBondContact NH2-OE2 2.88Å; R162-E222 VanDerWaalsContact NH2-OE2 3.1Å
163	I	96	Very high	93.6	Very high	28 Å²	28	54.2 Å²	54.2	14%	0.144	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135	-177.4	-60.8	-60.8	0	0	0	109.5	F153 A154 I156 F165 A175 R176 P177	F153-I163 WeakPolarHBondContact CD2-O 3.01Å; A154-I163 PolarHBondContact N-O 3.09Å; A154-I163 PolarHBondContact O-N 3.34Å; I156-I163 HydrophobicContact CD1-CD1 4.45Å; I156-I163 HydrophobicContact CD1-CG1 3.75Å; I156-I163 HydrophobicContact CG1-CG1 4.06Å; I156-I163 HydrophobicContact CG2-CB 3.88Å; I156-I163 HydrophobicContact CG2-CG1 3.7Å; I163-F165 HydrophobicContact CB-CD2 4.48Å; I163-F165 HydrophobicContact CB-CE2 3.89Å; I163-F165 HydrophobicContact CB-CZ 4.36Å; I163-F165 HydrophobicContact CG2-CD2 3.84Å; I163-F165 HydrophobicContact CG2-CE1 4.34Å; I163-F165 HydrophobicContact CG2-CE2 3.49Å; I163-F165 VanDerWaalsContact CG2-CE2 3.49Å; I163-F165 HydrophobicContact CG2-CG 4.4Å; I163-F165 HydrophobicContact CG2-CZ 3.77Å; I163-A175 HydrophobicContact CG2-CB 3.81Å; I163-R176 WeakPolarHBondContact CA-O 3.36Å; I163-P177 HydrophobicContact CD1-CB 4.45Å
164	C	97.7	Very high	93.6	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134	160.4	-170.4	0	0	0	0	110.8	C144 L166 A175 R176 F178	C144-C164 HydrophobicContact CB-CB 3.72Å; C144-C164 WeakPolarHBondContact CB-SG 3.4Å; C144-C164 WeakPolarHBondContact SG-CB 3.49Å; C144-C164 CovalentContact SG-SG 2.01Å; C144-C164 PolarHBondContact SG-SG 2.92Å; C164-L166 HydrophobicContact CB-CD2 4.43Å; C164-A175 WeakPolarHBondContact O-CA 3.06Å; C164-R176 PolarHBondContact N-O 3.16Å; C164-R176 PolarHBondContact O-N 2.9Å; C164-F178 HydrophobicContact CB-CB 3.82Å; C164-F178 HydrophobicContact CB-CD1 4.13Å; C164-F178 HydrophobicContact CB-CD2 4.07Å; C164-F178 HydrophobicContact CB-CG 3.76Å
165	F	97.9	Very high	93.6	Very high	11 Å²	11	59.4 Å²	59.4	5%	0.048	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	101	176.6	-68.1	-97.1	0	0	0	108	W133 F135 D151 F152 A154 I156 I163 F173 A175	W133-F165 AromaticContact CD1-CE1 3.66Å; W133-F165 HydrophobicContact CD2-CE1 4.43Å; W133-F165 AromaticContact CE2-CE1 3.94Å; W133-F165 HydrophobicContact CG-CE1 4.28Å; W133-F165 HydrophobicContact CZ2-CD1 4.33Å; W133-F165 AromaticContact NE1-CE1 3.43Å; F135-F165 HydrophobicContact CE1-CE2 4.06Å; F135-F165 AromaticContact CE1-CZ 3.83Å; F135-F165 HydrophobicContact CE1-CZ 3.83Å; F135-F165 HydrophobicContact CE2-CE2 4.49Å; F135-F165 HydrophobicContact CZ-CD2 4.43Å; F135-F165 HydrophobicContact CZ-CE1 4.37Å; F135-F165 AromaticContact CZ-CE2 3.57Å; F135-F165 HydrophobicContact CZ-CE2 3.57Å; F135-F165 AromaticContact CZ-CZ 3.53Å; F135-F165 HydrophobicContact CZ-CZ 3.53Å; D151-F165 WeakPolarHBondContact CB-O 3.27Å; F152-F165 HydrophobicContact CD1-CB 3.89Å; F152-F165 HydrophobicContact CD2-CB 3.94Å; F152-F165 AromaticContact CD2-CD2 3.7Å; F152-F165 HydrophobicContact CD2-CD2 3.7Å; F152-F165 HydrophobicContact CD2-CG 4.05Å; F152-F165 HydrophobicContact CE1-CB 3.5Å; F152-F165 VanDerWaalsContact CE1-CB 3.5Å; F152-F165 HydrophobicContact CE1-CG 4.08Å; F152-F165 HydrophobicContact CE2-CB 3.55Å; F152-F165 HydrophobicContact CE2-CD1 4.1Å; F152-F165 AromaticContact CE2-CD2 3.17Å; F152-F165 HydrophobicContact CE2-CD2 3.17Å; F152-F165 AromaticContact CE2-CE2 3.85Å; F152-F165 HydrophobicContact CE2-CE2 3.85Å; F152-F165 AromaticContact CE2-CG 3.33Å; F152-F165 HydrophobicContact CE2-CG 3.33Å; F152-F165 HydrophobicContact CG-CB 4.11Å; F152-F165 HydrophobicContact CZ-CB 3.32Å; F152-F165 AromaticContact CZ-CD1 3.84Å; F152-F165 HydrophobicContact CZ-CD1 3.84Å; F152-F165 AromaticContact CZ-CD2 3.75Å; F152-F165 HydrophobicContact CZ-CD2 3.75Å; F152-F165 AromaticContact CZ-CG 3.35Å; F152-F165 HydrophobicContact CZ-CG 3.35Å; F152-F165 PolarHBondContact N-O 2.7Å; F152-F165 PolarHBondContact O-N 3.06Å; A154-F165 HydrophobicContact CB-CD2 4.44Å; A154-F165 HydrophobicContact CB-CE2 4.01Å; I156-F165 HydrophobicContact CG2-CE2 4.19Å; I156-F165 HydrophobicContact CG2-CZ 4.22Å; I163-F165 HydrophobicContact CB-CD2 4.48Å; I163-F165 HydrophobicContact CB-CE2 3.89Å; I163-F165 HydrophobicContact CB-CZ 4.36Å; I163-F165 HydrophobicContact CG2-CD2 3.84Å; I163-F165 HydrophobicContact CG2-CE1 4.34Å; I163-F165 HydrophobicContact CG2-CE2 3.49Å; I163-F165 VanDerWaalsContact CG2-CE2 3.49Å; I163-F165 HydrophobicContact CG2-CG 4.4Å; I163-F165 HydrophobicContact CG2-CZ 3.77Å; F165-F173 HydrophobicContact CB-CB 4.23Å; F165-F173 HydrophobicContact CB-CD1 4.04Å; F165-F173 HydrophobicContact CB-CG 4.44Å; F165-A175 HydrophobicContact CD1-CB 4.12Å; F165-A175 HydrophobicContact CE1-CB 3.99Å
166	L	97.9	Very high	93.7	Very high	27 Å²	27	66.4 Å²	66.4	14%	0.141	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	123.1	-174.7	-53.6	179.1	0	0	0	110.7	C144 N145 D151 C164 N168 F173 T174 R176	C144-L166 HydrophobicContact CB-CD2 3.98Å; N145-L166 HydrophobicContact CB-CD2 4.26Å; D151-L166 WeakPolarHBondContact OD1-CA 3.39Å; D151-L166 VanDerWaalsContact OD2-CD2 3.28Å; D151-L166 WeakPolarHBondContact OD2-CD2 3.25Å; C164-L166 HydrophobicContact CB-CD2 4.43Å; L166-N168 PolarHBondContact O-ND2 2.8Å; L166-F173 CarbonylContact O-C 3.46Å; L166-F173 VanDerWaalsContact O-CA 3.23Å; L166-F173 WeakPolarHBondContact O-CA 3.25Å; L166-T174 PolarHBondContact N-O 3.38Å; L166-T174 PolarHBondContact O-N 3.38Å; L166-R176 HydrophobicContact CD1-CG 3.77Å; L166-R176 HydrophobicContact CG-CG 4.35Å
167	G	96.8	Very high	93.8	Very high	1 Å²	1	67 Å²	67	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	148.6	175	0	0	0	0	0	111.9	F93 D151	F93-G167 CarbonylContact O-C 3.54Å; F93-G167 WeakPolarHBondContact O-CA 3.41Å; D151-G167 PolarHBondContact OD1-N 3.48Å
168	N	96.2	Very high	94.1	Very high	46 Å²	46	65.9 Å²	65.9	25%	0.246	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	145.8	177.7	-59.5	-88.3	0	0	0	109.7	F93 L166 D170 R171 T172 T174	F93-N168 PolarHBondContact O-N 3.14Å; L166-N168 PolarHBondContact O-ND2 2.8Å; N168-D170 WeakPolarHBondContact CB-OD1 3.33Å; N168-D170 PolarHBondContact O-N 3.02Å; N168-R171 PolarHBondContact O-N 3.41Å; N168-T172 WeakPolarHBondContact CB-O 3.46Å; N168-T172 PolarHBondContact N-O 3.22Å; N168-T172 PolarHBondContact ND2-O 3.09Å; N168-T174 PolarHBondContact ND2-N 2.73Å; N168-T174 PolarHBondContact ND2-OG1 3.11Å
169	R	95	Very high	94.6	Very high	160 Å²	160	58 Å²	58	60%	0.604	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-12.5	179.7	-59.1	-171.5	170.8	-82.4	-2	115.1	D94 G95 R171	D94-R169 VanDerWaalsContact O-CA 3.32Å; D94-R169 WeakPolarHBondContact O-CA 3.46Å; D94-R169 WeakPolarHBondContact O-CG 3.17Å; G95-R169 PolarHBondContact O-NH1 2.76Å; R169-R171 VanDerWaalsContact C-N 3.32Å
170	D	94.2	Very high	94.3	Very high	109 Å²	109	54.2 Å²	54.2	58%	0.583	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	15.2	175.4	69.3	-10.8	0	0	0	113.1	N168 T172	N168-D170 WeakPolarHBondContact CB-OD1 3.33Å; N168-D170 PolarHBondContact O-N 3.02Å; D170-T172 WeakPolarHBondContact OD1-CB 3.21Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.25Å; D170-T172 PolarHBondContact OD1-N 2.81Å; D170-T172 PolarHBondContact OD1-OG1 2.91Å
171	R	93.5	Very high	93.9	Very high	98 Å²	98	57.4 Å²	57.4	37%	0.37	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	40.3	-179.9	-63.2	-179.4	177.6	-148.5	-9	112.7	D94 D96 W119 G120 N168 R169	D94-R171 HydrophobicContact CB-CG 3.89Å; D94-R171 WeakPolarHBondContact OD2-CG 3.41Å; D94-R171 IonicContact OD2-CZ 3.09Å; D94-R171 VanDerWaalsContact OD2-CZ 3.31Å; D94-R171 IonicContact OD2-NE 2.72Å; D94-R171 PolarHBondContact OD2-NE 2.75Å; D94-R171 IonicContact OD2-NH2 2.77Å; D94-R171 PolarHBondContact OD2-NH2 3.37Å; D96-R171 IonicContact OD2-NH2 3.28Å; D96-R171 PolarHBondContact OD2-NH2 3.07Å; W119-R171 VanDerWaalsContact CB-NH1 3.29Å; W119-R171 HydrophobicContact CD2-CB 3.87Å; W119-R171 HydrophobicContact CD2-CG 3.8Å; W119-R171 HydrophobicContact CE3-CB 4.14Å; W119-R171 HydrophobicContact CE3-CG 3.8Å; W119-R171 HydrophobicContact CG-CG 4.32Å; W119-R171 HydrophobicContact CH2-CB 3.95Å; W119-R171 HydrophobicContact CH2-CG 4.38Å; W119-R171 VanDerWaalsContact CZ2-C 3.4Å; W119-R171 HydrophobicContact CZ2-CB 3.67Å; W119-R171 HydrophobicContact CZ2-CG 4.4Å; W119-R171 WeakPolarHBondContact CZ2-O 3.37Å; W119-R171 HydrophobicContact CZ3-CB 4.16Å; W119-R171 HydrophobicContact CZ3-CG 4.07Å; G120-R171 PolarHBondContact O-NH2 2.82Å; N168-R171 PolarHBondContact O-N 3.41Å; R169-R171 VanDerWaalsContact C-N 3.32Å
172	T	94.1	Very high	93.4	Very high	62 Å²	62	57.2 Å²	57.2	38%	0.38	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	167.1	175.5	73.7	0	0	0	0	111.7	N168 D170	N168-T172 WeakPolarHBondContact CB-O 3.46Å; N168-T172 PolarHBondContact N-O 3.22Å; N168-T172 PolarHBondContact ND2-O 3.09Å; D170-T172 WeakPolarHBondContact OD1-CB 3.21Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.25Å; D170-T172 PolarHBondContact OD1-N 2.81Å; D170-T172 PolarHBondContact OD1-OG1 2.91Å
173	F	96.2	Very high	92.8	Very high	31 Å²	31	62.6 Å²	62.6	14%	0.136	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.9	177	-68.6	-91.2	0	0	0	111.9	F93 V117 W119 W133 F152 F165 L166	F93-F173 HydrophobicContact CB-CE1 3.98Å; F93-F173 HydrophobicContact CB-CZ 3.69Å; F93-F173 AromaticContact CD1-CE1 3.72Å; F93-F173 HydrophobicContact CD1-CE1 3.72Å; F93-F173 AromaticContact CD1-CZ 3.9Å; F93-F173 HydrophobicContact CD1-CZ 3.9Å; F93-F173 HydrophobicContact CD2-CZ 4.22Å; F93-F173 HydrophobicContact CE1-CE1 4.47Å; F93-F173 AromaticContact CG-CE1 3.96Å; F93-F173 HydrophobicContact CG-CE1 3.96Å; F93-F173 AromaticContact CG-CZ 3.7Å; F93-F173 HydrophobicContact CG-CZ 3.7Å; V117-F173 HydrophobicContact CB-CE2 4.33Å; V117-F173 HydrophobicContact CG1-CE2 4.12Å; V117-F173 HydrophobicContact CG1-CZ 4.32Å; V117-F173 HydrophobicContact CG2-CE2 3.78Å; V117-F173 HydrophobicContact CG2-CZ 4.05Å; W119-F173 HydrophobicContact CH2-CD2 4.41Å; W119-F173 AromaticContact CH2-CE2 3.53Å; W119-F173 HydrophobicContact CH2-CE2 3.53Å; W119-F173 AromaticContact CH2-CZ 3.89Å; W119-F173 HydrophobicContact CH2-CZ 3.89Å; W119-F173 AromaticContact CZ2-CE2 3.78Å; W119-F173 HydrophobicContact CZ2-CE2 3.78Å; W133-F173 HydrophobicContact CH2-CB 4.28Å; W133-F173 AromaticContact CH2-CD2 3.57Å; W133-F173 HydrophobicContact CH2-CD2 3.57Å; W133-F173 HydrophobicContact CH2-CE2 4.19Å; W133-F173 HydrophobicContact CH2-CG 4.12Å; W133-F173 HydrophobicContact CZ2-CB 4.17Å; W133-F173 HydrophobicContact CZ2-CD2 4.28Å; W133-F173 HydrophobicContact CZ2-CG 4.5Å; W133-F173 HydrophobicContact CZ3-CD2 4.43Å; F152-F173 HydrophobicContact CD1-CD1 4.11Å; F152-F173 AromaticContact CD1-CE1 3.74Å; F152-F173 HydrophobicContact CD1-CE1 3.74Å; F152-F173 HydrophobicContact CD1-CZ 4.32Å; F152-F173 AromaticContact CE1-CD1 3.62Å; F152-F173 HydrophobicContact CE1-CD1 3.62Å; F152-F173 HydrophobicContact CE1-CD2 4.47Å; F152-F173 AromaticContact CE1-CE1 3.52Å; F152-F173 HydrophobicContact CE1-CE1 3.52Å; F152-F173 HydrophobicContact CE1-CE2 4.38Å; F152-F173 HydrophobicContact CE1-CG 4.09Å; F152-F173 AromaticContact CE1-CZ 3.92Å; F152-F173 HydrophobicContact CE1-CZ 3.92Å; F165-F173 HydrophobicContact CB-CB 4.23Å; F165-F173 HydrophobicContact CB-CD1 4.04Å; F165-F173 HydrophobicContact CB-CG 4.44Å; L166-F173 CarbonylContact O-C 3.46Å; L166-F173 VanDerWaalsContact O-CA 3.23Å; L166-F173 WeakPolarHBondContact O-CA 3.25Å
174	T	97	Very high	92.4	Very high	51 Å²	51	64.2 Å²	64.2	31%	0.313	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	109.1	173.7	-63.7	0	0	0	0	109.9	L166 N168 R176	L166-T174 PolarHBondContact N-O 3.38Å; L166-T174 PolarHBondContact O-N 3.38Å; N168-T174 PolarHBondContact ND2-N 2.73Å; N168-T174 PolarHBondContact ND2-OG1 3.11Å; T174-R176 HydrophobicContact CG2-CG 4.36Å; T174-R176 PolarHBondContact O-N 2.96Å
175	A	97	Very high	92	Very high	61 Å²	61	67.6 Å²	67.6	50%	0.504	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	126.4	176.8	0	0	0	0	0	111.7	I163 C164 F165	I163-A175 HydrophobicContact CG2-CB 3.81Å; C164-A175 WeakPolarHBondContact O-CA 3.06Å; F165-A175 HydrophobicContact CD1-CB 4.12Å; F165-A175 HydrophobicContact CE1-CB 3.99Å
176	R	96.4	Very high	91.7	Very high	150 Å²	150	67.6 Å²	67.6	57%	0.566	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	139.6	175.4	-67.4	-68.7	-178.2	156.8	-1.1	110.5	I163 C164 L166 T174 F178	I163-R176 WeakPolarHBondContact CA-O 3.36Å; C164-R176 PolarHBondContact N-O 3.16Å; C164-R176 PolarHBondContact O-N 2.9Å; L166-R176 HydrophobicContact CD1-CG 3.77Å; L166-R176 HydrophobicContact CG-CG 4.35Å; T174-R176 HydrophobicContact CG2-CG 4.36Å; T174-R176 PolarHBondContact O-N 2.96Å; R176-F178 PolarHBondContact O-N 2.65Å
177	P	95	Very high	91.3	Very high	75 Å²	75	68.9 Å²	68.9	49%	0.487	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	140.7	168.8	-16.7	28.5	0	0	0	111.4	I163 E180	I163-P177 HydrophobicContact CD1-CB 4.45Å; P177-E180 HydrophobicContact CB-CG 3.7Å; P177-E180 WeakPolarHBondContact CB-OE1 3.38Å; P177-E180 VanDerWaalsContact CB-OE2 3.29Å; P177-E180 WeakPolarHBondContact CB-OE2 3.14Å
178	F	95.2	Very high	90.8	Very high	19 Å²	19	72.8 Å²	72.8	8%	0.083	38%	0.379	C	S	.	.			trans	-141.3	130.8	-169.9	-171.1	-119.4	0	0	0	110.4	L142 C144 F153 R162 C164 R176 E180 I205 W233	L142-F178 HydrophobicContact CD1-CE1 4.46Å; C144-F178 HydrophobicContact CB-CD2 4.4Å; C144-F178 HydrophobicContact CB-CE2 3.89Å; C144-F178 HydrophobicContact CB-CZ 4.1Å; F153-F178 HydrophobicContact CB-CD1 4.45Å; F153-F178 HydrophobicContact CB-CE1 4.46Å; F153-F178 AromaticContact CD2-CD1 3.54Å; F153-F178 HydrophobicContact CD2-CD1 3.54Å; F153-F178 HydrophobicContact CD2-CE1 4.23Å; F153-F178 AromaticContact CE2-CD1 3.92Å; F153-F178 HydrophobicContact CE2-CD1 3.92Å; F153-F178 HydrophobicContact CG-CD1 4.03Å; F153-F178 HydrophobicContact CG-CE1 4.26Å; R162-F178 WeakPolarHBondContact CB-O 3.36Å; R162-F178 PolarHBondContact O-N 2.87Å; C164-F178 HydrophobicContact CB-CB 3.82Å; C164-F178 HydrophobicContact CB-CD1 4.13Å; C164-F178 HydrophobicContact CB-CD2 4.07Å; C164-F178 HydrophobicContact CB-CG 3.76Å; R176-F178 PolarHBondContact O-N 2.65Å; F178-E180 PolarHBondContact O-N 3.14Å; F178-I205 HydrophobicContact CE1-CD1 3.84Å; F178-I205 HydrophobicContact CZ-CD1 3.57Å; F178-W233 AromaticContact CE2-CD1 3.39Å; F178-W233 HydrophobicContact CE2-CG 4.34Å; F178-W233 AromaticContact CE2-NE1 3.61Å; F178-W233 AromaticContact CZ-CD1 3.69Å; F178-W233 HydrophobicContact CZ-CG 4.37Å; F178-W233 AromaticContact CZ-NE1 3.66Å
179	L	93	Very high	90.4	Very high	14 Å²	14	72.5 Å²	72.5	7%	0.073	38%	0.38	C	S	.	.	S	Bend	trans	55.1	35.2	178.6	-46.4	179.6	0	0	0	114.1	R162 S181 I205 L207 W224 W233	R162-L179 PolarHBondContact NH1-O 3.08Å; L179-S181 VanDerWaalsContact C-N 3.31Å; L179-S181 PolarHBondContact O-N 3.04Å; L179-I205 HydrophobicContact CD1-CD1 4.29Å; L179-I205 HydrophobicContact CD1-CG2 4.3Å; L179-L207 HydrophobicContact CD1-CD1 3.86Å; L179-W224 HydrophobicContact CB-CD2 4.3Å; L179-W224 HydrophobicContact CB-CH2 3.94Å; L179-W224 HydrophobicContact CB-CZ2 3.68Å; L179-W224 HydrophobicContact CB-CZ3 4.35Å; L179-W224 HydrophobicContact CD1-CD2 4.21Å; L179-W224 HydrophobicContact CD1-CG 4.11Å; L179-W224 HydrophobicContact CD2-CB 4.49Å; L179-W224 HydrophobicContact CD2-CD2 3.68Å; L179-W224 HydrophobicContact CD2-CE3 3.63Å; L179-W224 HydrophobicContact CD2-CG 4.07Å; L179-W224 HydrophobicContact CD2-CH2 4.49Å; L179-W224 HydrophobicContact CD2-CZ3 4.05Å; L179-W224 HydrophobicContact CG-CD2 4.25Å; L179-W224 HydrophobicContact CG-CZ2 4.5Å; L179-W233 HydrophobicContact CD2-CB 3.41Å; L179-W233 VanDerWaalsContact CD2-CB 3.41Å; L179-W233 HydrophobicContact CD2-CG 3.85Å
180	E	79.1	Confident	90.1	Very high	140 Å²	140	65 Å²	65	65%	0.654	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-18.3	-174.1	-70.8	-168	122.6	0	0	114.7	P177 F178 S182	P177-E180 HydrophobicContact CB-CG 3.7Å; P177-E180 WeakPolarHBondContact CB-OE1 3.38Å; P177-E180 VanDerWaalsContact CB-OE2 3.29Å; P177-E180 WeakPolarHBondContact CB-OE2 3.14Å; F178-E180 PolarHBondContact O-N 3.14Å; E180-S182 PolarHBondContact O-N 3.16Å; E180-S182 VanDerWaalsContact O-N 3.08Å
181	S	77.7	Confident	90.1	Very high	94 Å²	94	60.3 Å²	60.3	66%	0.657	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-7.4	-174.3	53.5	0	0	0	0	113.8	L179 W224	L179-S181 VanDerWaalsContact C-N 3.31Å; L179-S181 PolarHBondContact O-N 3.04Å; S181-W224 VanDerWaalsContact OG-CH2 3.23Å; S181-W224 WeakPolarHBondContact OG-CH2 3.38Å
182	S	82.1	Confident	90.2	Very high	16 Å²	16	55.7 Å²	55.7	11%	0.112	31%	0.309	C	S	.	.			trans	-92.3	129.7	-178.8	-172.5	0	0	0	0	113.6	E180 L184 E222	E180-S182 PolarHBondContact O-N 3.16Å; E180-S182 VanDerWaalsContact O-N 3.08Å; S182-L184 VanDerWaalsContact C-N 3.26Å; S182-L184 PolarHBondContact O-N 2.95Å; S182-L184 PolarHBondContact OG-N 2.9Å; S182-E222 WeakPolarHBondContact CB-OE1 3.25Å; S182-E222 VanDerWaalsContact OG-CD 3.26Å; S182-E222 PolarHBondContact OG-OE1 2.96Å; S182-E222 PolarHBondContact OG-OE2 2.79Å
183	P	81.2	Confident	90.4	Very high	121 Å²	121	52.8 Å²	52.8	79%	0.786	29%	0.292	S	S	*	.			trans	-80.6	-5.4	173.4	34.6	-35.5	0	0	0	113.1
184	L	86.7	Confident	90.4	Very high	62 Å²	62	51.4 Å²	51.4	33%	0.325	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-79.1	129.1	-171	-61.3	179.2	0	0	0	111.5	N160 R162 S182 V209	N160-L184 PolarHBondContact ND2-O 3.44Å; R162-L184 PolarHBondContact NH2-O 3.06Å; S182-L184 VanDerWaalsContact C-N 3.26Å; S182-L184 PolarHBondContact O-N 2.95Å; S182-L184 PolarHBondContact OG-N 2.9Å; L184-V209 HydrophobicContact CB-CG1 3.96Å; L184-V209 HydrophobicContact CB-CG2 4.17Å; L184-V209 HydrophobicContact CD1-CG1 4.28Å; L184-V209 HydrophobicContact CD1-CG2 4.07Å; L184-V209 HydrophobicContact CD2-CG1 4.49Å; L184-V209 HydrophobicContact CG-CG1 4.47Å
185	S	89.6	Confident	90.5	Very high	71 Å²	71	49 Å²	49	50%	0.497	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-75.3	131.6	174.3	-64.9	0	0	0	0	110.1	Q210	S185-Q210 WeakPolarHBondContact O-CB 2.98Å; S185-Q210 PolarHBondContact O-N 2.77Å
186	L	91.5	Very high	90.4	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.063	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-77.2	145	179	-63.6	174.7	0	0	0	111.3	F153 V155 N160 R162 F190 L207 P208	F153-L186 HydrophobicContact CZ-CD1 4.29Å; V155-L186 HydrophobicContact CG2-CD1 3.57Å; N160-L186 WeakPolarHBondContact OD1-CB 3.25Å; N160-L186 VanDerWaalsContact OD1-CG 3.29Å; N160-L186 WeakPolarHBondContact OD1-CG 3.18Å; N160-L186 PolarHBondContact OD1-N 2.75Å; R162-L186 HydrophobicContact CG-CD1 4.34Å; L186-F190 HydrophobicContact CB-CD2 4.28Å; L186-F190 HydrophobicContact CB-CE2 4.42Å; L186-F190 HydrophobicContact CD1-CD2 4.39Å; L186-F190 HydrophobicContact CD1-CE2 3.81Å; L186-F190 HydrophobicContact CD1-CZ 4.3Å; L186-F190 HydrophobicContact CG-CE2 4.49Å; L186-L207 HydrophobicContact CD1-CD1 4.37Å; L186-L207 HydrophobicContact CD2-CB 3.66Å; L186-L207 HydrophobicContact CD2-CD1 4.12Å; L186-P208 WeakPolarHBondContact CA-O 3.29Å
187	R	89.5	Confident	90.3	Very high	54 Å²	54	39.6 Å²	39.6	20%	0.204	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-72	148.7	179.2	-176.6	173.1	173	-133.8	-12.5	110.9	F190 P208 V262	R187-F190 WeakPolarHBondContact O-CA 3.45Å; R187-P208 HydrophobicContact CB-CB 4.13Å; R187-P208 PolarHBondContact N-O 2.93Å; R187-V262 VanDerWaalsContact NH1-CB 3.26Å; R187-V262 PolarHBondContact NH1-O 3.43Å; R187-V262 PolarHBondContact NH2-O 3.1Å
188	R	86.4	Confident	90.2	Very high	82 Å²	82	38.2 Å²	38.2	31%	0.309	21%	0.213	S	C	.	.	S	Bend	trans	-120.9	138.1	169.5	-63.6	178.6	-175.5	-81.3	-4.5	110.7	P136 D137 V155 D157	P136-R188 VanDerWaalsContact CB-NH1 3.3Å; P136-R188 PolarHBondContact O-NH1 2.61Å; D137-R188 VanDerWaalsContact CB-NH1 3.3Å; D137-R188 IonicContact OD2-NH1 3.13Å; V155-R188 VanDerWaalsContact CG1-NH2 3.29Å; D157-R188 PolarHBondContact O-NH2 2.84Å
189	P	88.4	Confident	90.1	Very high	41 Å²	41	39 Å²	39	27%	0.266	23%	0.227	S	C	.	.	S	Bend	cis	-59.4	142.2	-6.1	-22.1	33.9	0	0	0	113.4	D137 P328	D137-P189 WeakPolarHBondContact OD2-CA 3.48Å; P189-P328 HydrophobicContact CB-CG 4.13Å
190	F	88.1	Confident	90.2	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.009	24%	0.239	C	C	.	.			trans	-90.7	103.1	-172.7	176.3	-117.8	0	0	0	111.6	D137 F153 V155 L186 R187 P192 L207 P208 S487 H488	D137-F190 HydrophobicContact CB-CB 3.89Å; D137-F190 WeakPolarHBondContact OD2-CB 3.37Å; D137-F190 PolarHBondContact OD2-N 3.15Å; F153-F190 HydrophobicContact CD1-CE1 4.25Å; F153-F190 AromaticContact CD1-CZ 3.98Å; F153-F190 HydrophobicContact CD1-CZ 3.98Å; F153-F190 HydrophobicContact CE1-CE1 4.09Å; F153-F190 HydrophobicContact CE1-CE2 4.48Å; F153-F190 AromaticContact CE1-CZ 3.51Å; F153-F190 HydrophobicContact CE1-CZ 3.51Å; F153-F190 HydrophobicContact CZ-CZ 4.42Å; V155-F190 HydrophobicContact CG2-CD1 4.32Å; V155-F190 HydrophobicContact CG2-CE1 4.2Å; V155-F190 HydrophobicContact CG2-CZ 4.35Å; L186-F190 HydrophobicContact CB-CD2 4.28Å; L186-F190 HydrophobicContact CB-CE2 4.42Å; L186-F190 HydrophobicContact CD1-CD2 4.39Å; L186-F190 HydrophobicContact CD1-CE2 3.81Å; L186-F190 HydrophobicContact CD1-CZ 4.3Å; L186-F190 HydrophobicContact CG-CE2 4.49Å; R187-F190 WeakPolarHBondContact O-CA 3.45Å; F190-P192 HydrophobicContact CD1-CG 4.23Å; F190-P192 HydrophobicContact CE1-CB 4.14Å; F190-P192 HydrophobicContact CE1-CG 3.55Å; F190-P192 HydrophobicContact CE2-CB 3.94Å; F190-P192 HydrophobicContact CE2-CG 4.18Å; F190-P192 HydrophobicContact CZ-CB 3.53Å; F190-P192 HydrophobicContact CZ-CG 3.49Å; F190-P192 VanDerWaalsContact CZ-CG 3.49Å; F190-P192 VanDerWaalsContact O-CD 3.29Å; F190-P192 WeakPolarHBondContact O-CD 3.29Å; F190-L207 HydrophobicContact CE2-CD2 4.1Å; F190-L207 HydrophobicContact CZ-CD2 3.98Å; F190-P208 HydrophobicContact CD2-CG 4.2Å; F190-S487 PolarHBondContact O-OG 3.44Å; F190-S487 VanDerWaalsContact O-OG 3.06Å; F190-H488 PolarHBondContact N-NE2 2.8Å; F190-H488 PolarHBondContact O-CD2 2.97Å; F190-H488 PolarHBondContact O-NE2 3.39Å
191	V	94.4	Very high	90.9	Very high	10 Å²	10	35.2 Å²	35.2	6%	0.061	21%	0.211	C	C	.	.			trans	-115.4	84.4	177.2	-168.6	0	0	0	0	109.9	P208 A264 P265 P328	V191-P208 WeakPolarHBondContact O-CD 3.37Å; V191-P208 WeakPolarHBondContact O-CG 3.31Å; V191-A264 HydrophobicContact CG1-CB 4.16Å; V191-A264 HydrophobicContact CG2-CB 4.29Å; V191-P265 HydrophobicContact CG1-CG 4.49Å; V191-P328 HydrophobicContact CG2-CB 4.38Å; V191-P328 HydrophobicContact CG2-CG 3.57Å
192	P	96	Very high	91.7	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	18%	0.182	C	C	.	.			trans	-77.6	168.6	174.1	35	-36.8	0	0	0	111.7	Q140 F190 V206 L207 S485	Q140-P192 HydrophobicContact CB-CB 4.49Å; Q140-P192 HydrophobicContact CB-CG 3.43Å; Q140-P192 VanDerWaalsContact CB-CG 3.43Å; Q140-P192 HydrophobicContact CG-CB 4.44Å; Q140-P192 HydrophobicContact CG-CG 3.72Å; F190-P192 HydrophobicContact CD1-CG 4.23Å; F190-P192 HydrophobicContact CE1-CB 4.14Å; F190-P192 HydrophobicContact CE1-CG 3.55Å; F190-P192 HydrophobicContact CE2-CB 3.94Å; F190-P192 HydrophobicContact CE2-CG 4.18Å; F190-P192 HydrophobicContact CZ-CB 3.53Å; F190-P192 HydrophobicContact CZ-CG 3.49Å; F190-P192 VanDerWaalsContact CZ-CG 3.49Å; F190-P192 VanDerWaalsContact O-CD 3.29Å; F190-P192 WeakPolarHBondContact O-CD 3.29Å; P192-V206 CarbonylContact C-O 3.49Å; P192-V206 WeakPolarHBondContact CA-O 3.3Å; P192-L207 HydrophobicContact CB-CD2 3.62Å; P192-S485 WeakPolarHBondContact O-CB 3.32Å; P192-S485 PolarHBondContact O-OG 2.94Å
193	A	97.5	Very high	92.3	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.017	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	152.2	169.8	0	0	0	0	0	112.2	V195 I205 V206 F267 Y484	A193-V195 HydrophobicContact CB-CG1 4.09Å; A193-I205 CarbonylContact O-C 3.56Å; A193-I205 WeakPolarHBondContact O-CA 3.37Å; A193-V206 HydrophobicContact CB-CB 4.4Å; A193-V206 PolarHBondContact N-O 2.95Å; A193-V206 PolarHBondContact O-N 3.27Å; A193-F267 HydrophobicContact CB-CD2 3.89Å; A193-F267 HydrophobicContact CB-CE2 3.39Å; A193-F267 HydrophobicContact CB-CZ 4.06Å; A193-Y484 CarbonylContact C-O 3.57Å; A193-Y484 WeakPolarHBondContact CA-O 3.35Å; A193-Y484 HydrophobicContact CB-CD2 3.83Å
194	I	97.6	Very high	93	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	104.6	163.7	-175.5	163.3	0	0	0	108.6	L142 E204 G461 Y484 P515	L142-I194 HydrophobicContact CB-CD1 3.88Å; L142-I194 HydrophobicContact CD1-CD1 4.5Å; I194-E204 CarbonylContact C-O 3.5Å; I194-E204 VanDerWaalsContact CA-O 3.25Å; I194-E204 WeakPolarHBondContact CA-O 3.17Å; I194-G461 WeakPolarHBondContact O-CA 3.42Å; I194-Y484 PolarHBondContact N-O 2.88Å; I194-Y484 WeakPolarHBondContact O-CA 3.46Å; I194-Y484 WeakPolarHBondContact O-CB 3.34Å; I194-P515 HydrophobicContact CD1-CB 3.97Å; I194-P515 HydrophobicContact CD1-CG 3.82Å; I194-P515 HydrophobicContact CG1-CG 4.35Å
195	V	97.3	Very high	93.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	142.9	-165.9	60.3	0	0	0	0	111.9	A193 I197 S203 E204 V206 F267 I276	A193-V195 HydrophobicContact CB-CG1 4.09Å; V195-I197 HydrophobicContact CG1-CG1 4.23Å; V195-I197 PolarHBondContact O-N 2.95Å; V195-S203 WeakPolarHBondContact CA-OG 3.42Å; V195-E204 PolarHBondContact N-O 3.38Å; V195-E204 WeakPolarHBondContact O-CA 3.35Å; V195-E204 PolarHBondContact O-N 2.85Å; V195-V206 HydrophobicContact CG1-CG2 3.72Å; V195-F267 HydrophobicContact CB-CG 4.47Å; V195-F267 HydrophobicContact CG1-CD1 3.92Å; V195-F267 HydrophobicContact CG1-CD2 4.33Å; V195-F267 HydrophobicContact CG1-CE1 4.07Å; V195-F267 HydrophobicContact CG1-CE2 4.48Å; V195-F267 HydrophobicContact CG1-CG 4.05Å; V195-F267 HydrophobicContact CG1-CZ 4.35Å; V195-F267 HydrophobicContact CG2-CB 3.84Å; V195-F267 HydrophobicContact CG2-CD1 4.33Å; V195-F267 HydrophobicContact CG2-CG 4.11Å; V195-I276 HydrophobicContact CG2-CB 4.46Å; V195-I276 HydrophobicContact CG2-CD1 4.39Å; V195-I276 HydrophobicContact CG2-CG1 4.19Å; V195-I276 HydrophobicContact CG2-CG2 3.72Å
196	D	95.7	Very high	93.9	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.021	10%	0.101	C	C	.	.			trans	-76.7	82	178.6	174.2	22.2	0	0	0	111.2	G199 D200 L201 S203 I276 T463 S481	D196-G199 WeakPolarHBondContact OD1-CA 3.24Å; D196-G199 PolarHBondContact OD1-N 3.3Å; D196-D200 PolarHBondContact OD1-N 3.14Å; D196-L201 PolarHBondContact OD1-N 3.44Å; D196-L201 WeakPolarHBondContact OD2-CA 3.41Å; D196-L201 PolarHBondContact OD2-N 2.78Å; D196-S203 PolarHBondContact N-OG 3.29Å; D196-I276 WeakPolarHBondContact O-CB 3.27Å; D196-I276 VanDerWaalsContact O-CG1 3.26Å; D196-I276 WeakPolarHBondContact O-CG1 3.45Å; D196-T463 HydrophobicContact CB-CG2 3.92Å; D196-T463 WeakPolarHBondContact CB-OG1 3.4Å; D196-S481 PolarHBondContact N-OG 2.74Å
197	I	94.6	Very high	94.1	Very high	11 Å²	11	18 Å²	18	6%	0.056	10%	0.098	C	C	.	.	S	Bend	trans	-79.8	-25.4	176.7	-95.7	-140.7	0	0	0	111.3	V195 E204 V206 V223 F241 F267 W297	V195-I197 HydrophobicContact CG1-CG1 4.23Å; V195-I197 PolarHBondContact O-N 2.95Å; I197-E204 PolarHBondContact N-OE2 2.88Å; I197-V206 HydrophobicContact CD1-CG2 4.34Å; I197-V206 HydrophobicContact CG1-CG2 4.35Å; I197-V223 HydrophobicContact CG2-CG1 4.44Å; I197-F241 HydrophobicContact CD1-CD2 3.47Å; I197-F241 VanDerWaalsContact CD1-CD2 3.47Å; I197-F241 HydrophobicContact CD1-CE1 4.47Å; I197-F241 HydrophobicContact CD1-CE2 3.31Å; I197-F241 HydrophobicContact CD1-CG 4.17Å; I197-F241 HydrophobicContact CD1-CZ 3.85Å; I197-F267 HydrophobicContact CD1-CD1 4.48Å; I197-F267 HydrophobicContact CD1-CE1 4.08Å; I197-F267 HydrophobicContact CG1-CE1 4.44Å; I197-W297 HydrophobicContact CD1-CZ3 4.18Å; I197-W297 HydrophobicContact CG2-CH2 4.33Å
198	T	93.3	Very high	94.3	Very high	45 Å²	45	15.7 Å²	15.7	28%	0.276	9%	0.09	S	C	.	.	S	Bend	trans	-81.1	-20.6	-177.1	63.2	0	0	0	0	113.2	D200 E204 L236	T198-D200 PolarHBondContact OG1-OD1 3.25Å; T198-E204 VanDerWaalsContact CG2-CD 3.43Å; T198-E204 HydrophobicContact CG2-CG 3.96Å; T198-E204 VanDerWaalsContact CG2-OE2 3.29Å; T198-E204 WeakPolarHBondContact CG2-OE2 3.41Å; T198-E204 PolarHBondContact N-OE2 3.32Å; T198-E204 PolarHBondContact OG1-OE1 2.89Å; T198-E204 PolarHBondContact OG1-OE2 3.02Å; T198-E204 VanDerWaalsContact OG1-OE2 3.12Å; T198-L236 HydrophobicContact CG2-CD2 4.14Å
199	G	93.3	Very high	94.6	Very high	35 Å²	35	12.1 Å²	12.1	36%	0.361	8%	0.078	S	C	.	.	S	Bend	trans	80.4	27	179.4	0	0	0	0	0	113.3	D196	D196-G199 WeakPolarHBondContact OD1-CA 3.24Å; D196-G199 PolarHBondContact OD1-N 3.3Å
200	D	93.3	Very high	94.7	Very high	63 Å²	63	15.1 Å²	15.1	34%	0.337	9%	0.088	S	C	.	.	S	Bend	trans	-105.7	4.8	-179.9	77.8	-1.2	0	0	0	113.8	D196 T198 I202	D196-D200 PolarHBondContact OD1-N 3.14Å; T198-D200 PolarHBondContact OG1-OD1 3.25Å; D200-I202 PolarHBondContact O-N 3.36Å; D200-I202 WeakPolarHBondContact OD1-CA 3.35Å; D200-I202 VanDerWaalsContact OD1-CB 3.27Å; D200-I202 WeakPolarHBondContact OD1-CB 3.32Å; D200-I202 PolarHBondContact OD1-N 3.33Å
201	L	94.8	Very high	94.6	Very high	12 Å²	12	16.2 Å²	16.2	6%	0.063	10%	0.095	C	C	.	.	S	Bend	trans	68.1	11.5	-176	-52.7	173.9	0	0	0	114.6	D196 T463 Q465 G513	D196-L201 PolarHBondContact OD1-N 3.44Å; D196-L201 WeakPolarHBondContact OD2-CA 3.41Å; D196-L201 PolarHBondContact OD2-N 2.78Å; L201-T463 HydrophobicContact CD2-CG2 3.78Å; L201-Q465 HydrophobicContact CD2-CB 3.98Å; L201-G513 CarbonylContact O-C 3.23Å; L201-G513 WeakPolarHBondContact O-CA 3.49Å
202	I	93.9	Very high	93.8	Very high	9 Å²	9	21.4 Å²	21.4	5%	0.046	12%	0.122	C	C	.	.	S	Bend	trans	-106.6	133.2	167.3	-54.1	177.2	0	0	0	106.8	D200 T226	D200-I202 PolarHBondContact O-N 3.36Å; D200-I202 WeakPolarHBondContact OD1-CA 3.35Å; D200-I202 VanDerWaalsContact OD1-CB 3.27Å; D200-I202 WeakPolarHBondContact OD1-CB 3.32Å; D200-I202 PolarHBondContact OD1-N 3.33Å; I202-T226 HydrophobicContact CG2-CG2 4.3Å
203	S	95.5	Very high	92.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-83.9	135.1	-177.2	-77.7	0	0	0	0	112.9	V195 D196 G461 T463	V195-S203 WeakPolarHBondContact CA-OG 3.42Å; D196-S203 PolarHBondContact N-OG 3.29Å; S203-G461 WeakPolarHBondContact CB-O 3.4Å; S203-G461 PolarHBondContact OG-O 2.7Å; S203-T463 PolarHBondContact OG-OG1 2.59Å
204	E	95.9	Very high	91.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	156.6	169.2	-75.7	65.6	-114.7	0	0	111.5	I194 V195 I197 T198 V223 W224	I194-E204 CarbonylContact C-O 3.5Å; I194-E204 VanDerWaalsContact CA-O 3.25Å; I194-E204 WeakPolarHBondContact CA-O 3.17Å; V195-E204 PolarHBondContact N-O 3.38Å; V195-E204 WeakPolarHBondContact O-CA 3.35Å; V195-E204 PolarHBondContact O-N 2.85Å; I197-E204 PolarHBondContact N-OE2 2.88Å; T198-E204 VanDerWaalsContact CG2-CD 3.43Å; T198-E204 HydrophobicContact CG2-CG 3.96Å; T198-E204 VanDerWaalsContact CG2-OE2 3.29Å; T198-E204 WeakPolarHBondContact CG2-OE2 3.41Å; T198-E204 PolarHBondContact N-OE2 3.32Å; T198-E204 PolarHBondContact OG1-OE1 2.89Å; T198-E204 PolarHBondContact OG1-OE2 3.02Å; T198-E204 VanDerWaalsContact OG1-OE2 3.12Å; E204-V223 HydrophobicContact CB-CG1 3.74Å; E204-V223 HydrophobicContact CG-CG1 3.9Å; E204-W224 CarbonylContact C-O 3.5Å; E204-W224 WeakPolarHBondContact CA-O 3.37Å; E204-W224 VanDerWaalsContact CB-O 3.26Å; E204-W224 WeakPolarHBondContact CB-O 3.38Å; E204-W224 WeakPolarHBondContact CG-O 3.24Å
205	I	97.1	Very high	89.8	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	118.2	168.4	-58	171.5	0	0	0	109	L142 F178 L179 A193 L207 V223 W224 W233	L142-I205 HydrophobicContact CD1-CD1 3.67Å; L142-I205 HydrophobicContact CD1-CG1 4.12Å; F178-I205 HydrophobicContact CE1-CD1 3.84Å; F178-I205 HydrophobicContact CZ-CD1 3.57Å; L179-I205 HydrophobicContact CD1-CD1 4.29Å; L179-I205 HydrophobicContact CD1-CG2 4.3Å; A193-I205 CarbonylContact O-C 3.56Å; A193-I205 WeakPolarHBondContact O-CA 3.37Å; I205-L207 HydrophobicContact CG2-CD1 4.46Å; I205-L207 HydrophobicContact CG2-CD2 3.52Å; I205-L207 HydrophobicContact CG2-CG 3.86Å; I205-V223 CarbonylContact O-C 3.54Å; I205-V223 WeakPolarHBondContact O-CA 3.37Å; I205-W224 HydrophobicContact CB-CB 4.24Å; I205-W224 PolarHBondContact N-O 3.41Å; I205-W224 PolarHBondContact O-N 2.85Å; I205-W233 HydrophobicContact CD1-CD2 3.79Å; I205-W233 HydrophobicContact CD1-CE3 3.98Å; I205-W233 HydrophobicContact CD1-CG 4.43Å; I205-W233 HydrophobicContact CD1-CH2 3.98Å; I205-W233 HydrophobicContact CD1-CZ2 3.79Å; I205-W233 HydrophobicContact CD1-CZ3 4.07Å; I205-W233 HydrophobicContact CG1-CD2 4.48Å; I205-W233 HydrophobicContact CG1-CE3 4.18Å; I205-W233 HydrophobicContact CG1-CH2 3.9Å; I205-W233 HydrophobicContact CG1-CZ2 4.22Å; I205-W233 HydrophobicContact CG1-CZ3 3.88Å
206	V	97	Very high	89	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.5	177	-175.3	0	0	0	0	109.6	P192 A193 V195 I197 F221 V223 F267	P192-V206 CarbonylContact C-O 3.49Å; P192-V206 WeakPolarHBondContact CA-O 3.3Å; A193-V206 HydrophobicContact CB-CB 4.4Å; A193-V206 PolarHBondContact N-O 2.95Å; A193-V206 PolarHBondContact O-N 3.27Å; V195-V206 HydrophobicContact CG1-CG2 3.72Å; I197-V206 HydrophobicContact CD1-CG2 4.34Å; I197-V206 HydrophobicContact CG1-CG2 4.35Å; V206-F221 HydrophobicContact CG1-CB 3.91Å; V206-F221 HydrophobicContact CG1-CD1 3.91Å; V206-F221 HydrophobicContact CG1-CG 4.17Å; V206-V223 HydrophobicContact CG1-CG2 4.31Å; V206-V223 HydrophobicContact CG2-CG1 4.26Å; V206-V223 HydrophobicContact CG2-CG2 4.21Å; V206-F267 HydrophobicContact CB-CZ 4.18Å; V206-F267 HydrophobicContact CG1-CE1 4.4Å; V206-F267 HydrophobicContact CG1-CZ 3.91Å; V206-F267 HydrophobicContact CG2-CE1 4.45Å; V206-F267 HydrophobicContact CG2-CZ 4.42Å
207	L	96.1	Very high	88.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.5	-174.9	-55.8	-177.2	0	0	0	111.2	F153 L179 L186 F190 P192 I205 V209 F221 E222	F153-L207 HydrophobicContact CD1-CD2 4.41Å; F153-L207 HydrophobicContact CE1-CD1 4.23Å; F153-L207 HydrophobicContact CE1-CD2 3.82Å; L179-L207 HydrophobicContact CD1-CD1 3.86Å; L186-L207 HydrophobicContact CD1-CD1 4.37Å; L186-L207 HydrophobicContact CD2-CB 3.66Å; L186-L207 HydrophobicContact CD2-CD1 4.12Å; F190-L207 HydrophobicContact CE2-CD2 4.1Å; F190-L207 HydrophobicContact CZ-CD2 3.98Å; P192-L207 HydrophobicContact CB-CD2 3.62Å; I205-L207 HydrophobicContact CG2-CD1 4.46Å; I205-L207 HydrophobicContact CG2-CD2 3.52Å; I205-L207 HydrophobicContact CG2-CG 3.86Å; L207-V209 PolarHBondContact O-N 2.86Å; L207-F221 CarbonylContact O-C 3.57Å; L207-F221 VanDerWaalsContact O-CA 3.24Å; L207-F221 WeakPolarHBondContact O-CA 3.49Å; L207-E222 HydrophobicContact CB-CB 4.44Å; L207-E222 PolarHBondContact N-O 3.18Å; L207-E222 PolarHBondContact O-N 3.21Å
208	P	94.3	Very high	88.4	Confident	6 Å²	6	41.1 Å²	41.1	4%	0.039	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.5	176.3	29.9	-35	0	0	0	110.7	L186 R187 F190 V191 F221	L186-P208 WeakPolarHBondContact CA-O 3.29Å; R187-P208 HydrophobicContact CB-CB 4.13Å; R187-P208 PolarHBondContact N-O 2.93Å; F190-P208 HydrophobicContact CD2-CG 4.2Å; V191-P208 WeakPolarHBondContact O-CD 3.37Å; V191-P208 WeakPolarHBondContact O-CG 3.31Å; P208-F221 HydrophobicContact CB-CD1 4.05Å; P208-F221 HydrophobicContact CB-CE1 3.95Å
209	V	93	Very high	88.3	Confident	7 Å²	7	39.2 Å²	39.2	4%	0.042	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	143.4	-178.7	172.9	0	0	0	0	110.5	L184 L207 V211 H220 E222	L184-V209 HydrophobicContact CB-CG1 3.96Å; L184-V209 HydrophobicContact CB-CG2 4.17Å; L184-V209 HydrophobicContact CD1-CG1 4.28Å; L184-V209 HydrophobicContact CD1-CG2 4.07Å; L184-V209 HydrophobicContact CD2-CG1 4.49Å; L184-V209 HydrophobicContact CG-CG1 4.47Å; L207-V209 PolarHBondContact O-N 2.86Å; V209-V211 PolarHBondContact O-N 2.87Å; V209-H220 HydrophobicContact CB-CB 4.1Å; V209-H220 PolarHBondContact N-O 3.22Å; V209-E222 HydrophobicContact CG2-CB 3.9Å
210	Q	89.3	Confident	88.3	Confident	104 Å²	104	39 Å²	39	49%	0.486	21%	0.212	S	C	.	.			trans	-69	114.4	172.5	-177.4	60.3	50.4	0	0	109.1	S185	S185-Q210 WeakPolarHBondContact O-CB 2.98Å; S185-Q210 PolarHBondContact O-N 2.77Å
211	V	87	Confident	88.4	Confident	26 Å²	26	36.7 Å²	36.7	16%	0.158	20%	0.199	C	C	.	.			trans	-84.8	147.3	177.1	176.5	0	0	0	0	110.7	V209 E217 H220	V209-V211 PolarHBondContact O-N 2.87Å; V211-E217 HydrophobicContact CG1-CB 3.69Å; V211-E217 WeakPolarHBondContact CG1-O 3.39Å; V211-E217 HydrophobicContact CG2-CB 4.24Å; V211-H220 HydrophobicContact CG2-CB 3.74Å
212	D	78.3	Confident	88.4	Confident	118 Å²	118	36.9 Å²	36.9	63%	0.631	20%	0.2	S	C	*	.			trans	-61.5	147.3	177.4	-75.1	-25.2	0	0	0	113.6	N214 R215	D212-N214 PolarHBondContact O-N 3.41Å; D212-R215 PolarHBondContact O-N 2.86Å; D212-R215 VanDerWaalsContact O-N 3.11Å
213	S	68	Low	88.4	Confident	111 Å²	111	36.7 Å²	36.7	78%	0.776	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.4	176.1	58.1	0	0	0	0	114.3	R215	S213-R215 PolarHBondContact O-N 2.86Å
214	N	70.7	Confident	88.5	Confident	127 Å²	127	36.8 Å²	36.8	68%	0.679	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-5.3	172.9	-72.3	-18.5	0	0	0	113.1	D212 T216	D212-N214 PolarHBondContact O-N 3.41Å; N214-T216 PolarHBondContact O-N 3.23Å; N214-T216 VanDerWaalsContact O-N 3.14Å
215	R	67	Low	88.4	Confident	54 Å²	54	38 Å²	38	20%	0.204	21%	0.207	C	C	.	.			trans	52.2	36.3	173.4	-60.3	-174.2	-177.2	175.9	0.9	113.5	D212 S213 E217 P253	D212-R215 PolarHBondContact O-N 2.86Å; D212-R215 VanDerWaalsContact O-N 3.11Å; S213-R215 PolarHBondContact O-N 2.86Å; R215-E217 VanDerWaalsContact C-N 3.27Å; R215-P253 PolarHBondContact NH1-O 2.92Å
216	T	81.5	Confident	88.1	Confident	67 Å²	67	38.7 Å²	38.7	41%	0.411	21%	0.211	S	C	.	.	S	Bend	trans	-69.9	-30.8	171.3	45.9	0	0	0	0	111.5	N214 P246	N214-T216 PolarHBondContact O-N 3.23Å; N214-T216 VanDerWaalsContact O-N 3.14Å; T216-P246 WeakPolarHBondContact O-CD 3.49Å
217	E	88.2	Confident	87.9	Confident	56 Å²	56	39.6 Å²	39.6	26%	0.262	22%	0.216	S	C	.	.			trans	-123.9	151.7	179.3	-57	170.4	-176.6	0	0	108.4	V211 R215 H220 P243 I244	V211-E217 HydrophobicContact CG1-CB 3.69Å; V211-E217 WeakPolarHBondContact CG1-O 3.39Å; V211-E217 HydrophobicContact CG2-CB 4.24Å; R215-E217 VanDerWaalsContact C-N 3.27Å; E217-H220 WeakPolarHBondContact OE2-CB 3.48Å; E217-H220 IonicContact OE2-CG 3.86Å; E217-H220 IonicContact OE2-ND1 3.68Å; E217-H220 PolarHBondContact OE2-ND1 2.9Å; E217-H220 VanDerWaalsContact OE2-ND1 3.13Å; E217-P243 HydrophobicContact CB-CB 4.31Å; E217-P243 VanDerWaalsContact CD-CB 3.42Å; E217-P243 HydrophobicContact CG-CB 3.85Å; E217-P243 HydrophobicContact CG-CG 4.26Å; E217-P243 WeakPolarHBondContact OE2-CB 3.19Å; E217-I244 CarbonylContact C-O 3.49Å; E217-I244 VanDerWaalsContact CA-O 3.29Å; E217-I244 WeakPolarHBondContact CA-O 3.37Å
218	V	88.2	Confident	87.5	Confident	19 Å²	19	44.6 Å²	44.6	12%	0.115	24%	0.239	C	C	.	.	S	Bend	trans	-91.5	-42.9	173.4	-179.6	0	0	0	0	109.8	I244 P246 F252 V262 V282 Y295	V218-I244 HydrophobicContact CB-CB 4.24Å; V218-I244 HydrophobicContact CB-CG2 3.97Å; V218-I244 HydrophobicContact CG2-CG2 4.36Å; V218-I244 PolarHBondContact N-O 3.27Å; V218-P246 HydrophobicContact CG2-CB 3.65Å; V218-P246 HydrophobicContact CG2-CG 4.11Å; V218-F252 HydrophobicContact CG2-CE1 4.16Å; V218-F252 HydrophobicContact CG2-CZ 3.76Å; V218-V262 HydrophobicContact CG1-CG2 3.89Å; V218-V282 HydrophobicContact CG1-CB 4.4Å; V218-V282 HydrophobicContact CG1-CG1 3.9Å; V218-V282 HydrophobicContact CG1-CG2 3.7Å; V218-Y295 HydrophobicContact CG1-CE2 4.46Å
219	A	91.8	Very high	87.4	Confident	5 Å²	5	53.1 Å²	53.1	4%	0.041	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-149.2	151.9	175.7	0	0	0	0	0	109.3	F221 I244 V262 V280	A219-F221 HydrophobicContact CB-CE2 3.96Å; A219-F221 HydrophobicContact CB-CZ 4.31Å; A219-I244 HydrophobicContact CB-CB 4.42Å; A219-I244 HydrophobicContact CB-CD1 3.91Å; A219-I244 HydrophobicContact CB-CG1 4.23Å; A219-I244 PolarHBondContact O-N 2.56Å; A219-V262 HydrophobicContact CB-CG1 4.21Å; A219-V280 HydrophobicContact CB-CG1 4.47Å
220	H	93.4	Very high	87.3	Confident	31 Å²	31	60.8 Å²	60.8	14%	0.144	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	144.4	176.9	-174.7	110.7	0	0	0	107.8	V209 V211 E217 P243	V209-H220 HydrophobicContact CB-CB 4.1Å; V209-H220 PolarHBondContact N-O 3.22Å; V211-H220 HydrophobicContact CG2-CB 3.74Å; E217-H220 WeakPolarHBondContact OE2-CB 3.48Å; E217-H220 IonicContact OE2-CG 3.86Å; E217-H220 IonicContact OE2-ND1 3.68Å; E217-H220 PolarHBondContact OE2-ND1 2.9Å; E217-H220 VanDerWaalsContact OE2-ND1 3.13Å; H220-P243 HydrophobicContact CB-CB 4.25Å
221	F	95	Very high	87.4	Confident	13 Å²	13	62.5 Å²	62.5	6%	0.057	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139	176.9	-57	-93.8	0	0	0	110.2	V206 L207 P208 A219 F241 P265 V280	V206-F221 HydrophobicContact CG1-CB 3.91Å; V206-F221 HydrophobicContact CG1-CD1 3.91Å; V206-F221 HydrophobicContact CG1-CG 4.17Å; L207-F221 CarbonylContact O-C 3.57Å; L207-F221 VanDerWaalsContact O-CA 3.24Å; L207-F221 WeakPolarHBondContact O-CA 3.49Å; P208-F221 HydrophobicContact CB-CD1 4.05Å; P208-F221 HydrophobicContact CB-CE1 3.95Å; A219-F221 HydrophobicContact CB-CE2 3.96Å; A219-F221 HydrophobicContact CB-CZ 4.31Å; F221-F241 HydrophobicContact CB-CD1 3.86Å; F221-F241 HydrophobicContact CB-CE1 3.67Å; F221-F241 HydrophobicContact CD2-CD1 4.31Å; F221-F241 AromaticContact CD2-CE1 3.5Å; F221-F241 HydrophobicContact CD2-CE1 3.5Å; F221-F241 HydrophobicContact CD2-CZ 4.36Å; F221-F241 HydrophobicContact CE2-CE1 4.31Å; F221-F241 HydrophobicContact CG-CD1 4.41Å; F221-F241 AromaticContact CG-CE1 3.73Å; F221-F241 HydrophobicContact CG-CE1 3.73Å; F221-P265 HydrophobicContact CE1-CB 4.12Å; F221-P265 HydrophobicContact CE1-CG 4.15Å; F221-P265 HydrophobicContact CZ-CB 4.2Å; F221-V280 HydrophobicContact CE2-CG2 3.92Å; F221-V280 HydrophobicContact CZ-CG2 3.73Å
222	E	94.5	Very high	87.7	Confident	16 Å²	16	65.1 Å²	65.1	8%	0.075	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129	166.3	-179.3	177.7	-135.2	0	0	108.1	R162 S182 L207 V209 W224	R162-E222 IonicContact CZ-OE2 3.1Å; R162-E222 IonicContact NH1-OE2 3.59Å; R162-E222 PolarHBondContact NH1-OE2 2.87Å; R162-E222 IonicContact NH2-OE2 2.8Å; R162-E222 PolarHBondContact NH2-OE2 2.88Å; R162-E222 VanDerWaalsContact NH2-OE2 3.1Å; S182-E222 WeakPolarHBondContact CB-OE1 3.25Å; S182-E222 VanDerWaalsContact OG-CD 3.26Å; S182-E222 PolarHBondContact OG-OE1 2.96Å; S182-E222 PolarHBondContact OG-OE2 2.79Å; L207-E222 HydrophobicContact CB-CB 4.44Å; L207-E222 PolarHBondContact N-O 3.18Å; L207-E222 PolarHBondContact O-N 3.21Å; V209-E222 HydrophobicContact CG2-CB 3.9Å; E222-W224 VanDerWaalsContact CD-CE2 3.41Å; E222-W224 VanDerWaalsContact CD-CZ2 3.46Å; E222-W224 HydrophobicContact CG-CZ2 4.39Å; E222-W224 WeakPolarHBondContact OE1-CZ2 3.48Å; E222-W224 PolarHBondContact OE2-NE1 2.85Å
223	V	95.6	Very high	88.4	Confident	6 Å²	6	60.5 Å²	60.5	4%	0.036	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.6	179.5	-175.7	0	0	0	0	108.5	I197 E204 I205 V206 L236 F241	I197-V223 HydrophobicContact CG2-CG1 4.44Å; E204-V223 HydrophobicContact CB-CG1 3.74Å; E204-V223 HydrophobicContact CG-CG1 3.9Å; I205-V223 CarbonylContact O-C 3.54Å; I205-V223 WeakPolarHBondContact O-CA 3.37Å; V206-V223 HydrophobicContact CG1-CG2 4.31Å; V206-V223 HydrophobicContact CG2-CG1 4.26Å; V206-V223 HydrophobicContact CG2-CG2 4.21Å; V223-L236 HydrophobicContact CB-CB 3.99Å; V223-L236 HydrophobicContact CB-CD2 4.13Å; V223-L236 HydrophobicContact CG1-CB 4.1Å; V223-L236 HydrophobicContact CG1-CD2 3.71Å; V223-L236 WeakPolarHBondContact O-CB 3.18Å; V223-L236 PolarHBondContact O-N 2.99Å; V223-F241 HydrophobicContact CG2-CB 3.86Å; V223-F241 HydrophobicContact CG2-CD1 3.81Å; V223-F241 HydrophobicContact CG2-CG 4.02Å
224	W	95.7	Very high	89.6	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.4	178.1	-60.9	78.9	0	0	0	110.6	L179 S181 E204 I205 E222 W233 M234 P235	L179-W224 HydrophobicContact CB-CD2 4.3Å; L179-W224 HydrophobicContact CB-CH2 3.94Å; L179-W224 HydrophobicContact CB-CZ2 3.68Å; L179-W224 HydrophobicContact CB-CZ3 4.35Å; L179-W224 HydrophobicContact CD1-CD2 4.21Å; L179-W224 HydrophobicContact CD1-CG 4.11Å; L179-W224 HydrophobicContact CD2-CB 4.49Å; L179-W224 HydrophobicContact CD2-CD2 3.68Å; L179-W224 HydrophobicContact CD2-CE3 3.63Å; L179-W224 HydrophobicContact CD2-CG 4.07Å; L179-W224 HydrophobicContact CD2-CH2 4.49Å; L179-W224 HydrophobicContact CD2-CZ3 4.05Å; L179-W224 HydrophobicContact CG-CD2 4.25Å; L179-W224 HydrophobicContact CG-CZ2 4.5Å; S181-W224 VanDerWaalsContact OG-CH2 3.23Å; S181-W224 WeakPolarHBondContact OG-CH2 3.38Å; E204-W224 CarbonylContact C-O 3.5Å; E204-W224 WeakPolarHBondContact CA-O 3.37Å; E204-W224 VanDerWaalsContact CB-O 3.26Å; E204-W224 WeakPolarHBondContact CB-O 3.38Å; E204-W224 WeakPolarHBondContact CG-O 3.24Å; I205-W224 HydrophobicContact CB-CB 4.24Å; I205-W224 PolarHBondContact N-O 3.41Å; I205-W224 PolarHBondContact O-N 2.85Å; E222-W224 VanDerWaalsContact CD-CE2 3.41Å; E222-W224 VanDerWaalsContact CD-CZ2 3.46Å; E222-W224 HydrophobicContact CG-CZ2 4.39Å; E222-W224 WeakPolarHBondContact OE1-CZ2 3.48Å; E222-W224 PolarHBondContact OE2-NE1 2.85Å; W224-W233 HydrophobicContact CB-CB 4.43Å; W224-W233 HydrophobicContact CB-CE3 4.21Å; W224-W233 HydrophobicContact CE3-CB 4.16Å; W224-M234 CarbonylContact C-O 3.59Å; W224-M234 VanDerWaalsContact CA-O 3.29Å; W224-M234 WeakPolarHBondContact CA-O 3.2Å; W224-M234 VanDerWaalsContact CE3-C 3.46Å; W224-P235 HydrophobicContact CD2-CB 4.42Å; W224-P235 HydrophobicContact CE3-CB 4.21Å; W224-P235 HydrophobicContact CH2-CB 4.44Å; W224-P235 HydrophobicContact CZ3-CB 4.24Å; W224-P235 HydrophobicContact CZ3-CG 4.28Å
225	T	94.1	Very high	90.8	Very high	24 Å²	24	55.7 Å²	55.7	15%	0.147	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	161	178.7	-172.2	0	0	0	0	110.3	W233 M234 L236	T225-W233 CarbonylContact O-C 3.56Å; T225-W233 WeakPolarHBondContact O-CA 3.38Å; T225-M234 PolarHBondContact N-O 2.92Å; T225-M234 PolarHBondContact O-N 2.81Å; T225-L236 HydrophobicContact CG2-CD1 4.15Å
226	T	92	Very high	92	Very high	19 Å²	19	54.5 Å²	54.5	12%	0.117	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	148	175.9	57.6	0	0	0	0	111.9	I202 W233 W517	I202-T226 HydrophobicContact CG2-CG2 4.3Å; T226-W233 HydrophobicContact CG2-CD2 4.42Å; T226-W233 HydrophobicContact CG2-CE3 3.94Å; T226-W233 HydrophobicContact CG2-CH2 3.66Å; T226-W233 HydrophobicContact CG2-CZ2 4.16Å; T226-W233 HydrophobicContact CG2-CZ3 3.53Å; T226-W517 HydrophobicContact CG2-CE3 3.98Å; T226-W517 HydrophobicContact CG2-CZ3 3.94Å
227	D	91.4	Very high	92.3	Very high	20 Å²	20	54 Å²	54	11%	0.107	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	108.1	167.4	-177.1	-38.6	0	0	0	107.9	E229 R230 K231 Q232 M234	D227-E229 PolarHBondContact O-N 3.39Å; D227-E229 PolarHBondContact OD1-N 3.16Å; D227-E229 VanDerWaalsContact OD1-N 3.1Å; D227-R230 HydrophobicContact CB-CB 4.29Å; D227-R230 PolarHBondContact OD1-N 3.08Å; D227-R230 WeakPolarHBondContact OD2-CD 3.5Å; D227-R230 IonicContact OD2-NH1 3.45Å; D227-K231 VanDerWaalsContact O-CA 3.28Å; D227-K231 WeakPolarHBondContact O-CA 3.2Å; D227-K231 PolarHBondContact O-N 2.97Å; D227-Q232 HydrophobicContact CB-CG 4.05Å; D227-Q232 WeakPolarHBondContact CB-O 3.09Å; D227-Q232 PolarHBondContact N-O 2.84Å; D227-Q232 PolarHBondContact O-N 2.86Å; D227-M234 HydrophobicContact CB-CE 3.74Å; D227-M234 HydrophobicContact CB-CG 3.92Å; D227-M234 HydrophobicContact CB-SD 3.96Å; D227-M234 WeakPolarHBondContact OD2-CE 3.46Å
228	E	89.1	Confident	92.1	Very high	105 Å²	105	55.4 Å²	55.4	49%	0.491	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-41.8	-176.8	-177.9	174.6	-177.3	0	0	112.7	W517 S518	E228-W517 WeakPolarHBondContact CA-O 3.15Å; E228-W517 WeakPolarHBondContact CB-O 3.25Å; E228-W517 WeakPolarHBondContact CG-O 3.41Å; E228-S518 VanDerWaalsContact OE1-CB 3.26Å; E228-S518 WeakPolarHBondContact OE1-CB 3.18Å
229	E	90.9	Very high	92	Very high	186 Å²	186	58.8 Å²	58.8	87%	0.869	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-40.5	-175.9	-65	-171.3	169.8	0	0	111.4	D227	D227-E229 PolarHBondContact O-N 3.39Å; D227-E229 PolarHBondContact OD1-N 3.16Å; D227-E229 VanDerWaalsContact OD1-N 3.1Å
230	R	91.3	Very high	91.8	Very high	167 Å²	167	62.2 Å²	62.2	63%	0.63	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-11.4	-175.9	-65.2	-176.8	178.2	155.4	-5.7	113.9	D227 Q232	D227-R230 HydrophobicContact CB-CB 4.29Å; D227-R230 PolarHBondContact OD1-N 3.08Å; D227-R230 WeakPolarHBondContact OD2-CD 3.5Å; D227-R230 IonicContact OD2-NH1 3.45Å; R230-Q232 VanDerWaalsContact C-N 3.32Å; R230-Q232 HydrophobicContact CB-CG 3.68Å; R230-Q232 PolarHBondContact O-N 2.84Å
231	K	91.6	Very high	91.7	Very high	141 Å²	141	61 Å²	61	61%	0.613	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	52.5	-174.2	-59.9	-170.8	175.2	-167.2	0	112	D227 W517	D227-K231 VanDerWaalsContact O-CA 3.28Å; D227-K231 WeakPolarHBondContact O-CA 3.2Å; D227-K231 PolarHBondContact O-N 2.97Å; K231-W517 HydrophobicContact CB-CD2 3.89Å; K231-W517 HydrophobicContact CB-CE3 4.49Å; K231-W517 HydrophobicContact CB-CG 3.92Å; K231-W517 HydrophobicContact CD-CG 4.35Å; K231-W517 HydrophobicContact CG-CB 4.19Å; K231-W517 HydrophobicContact CG-CD2 4.39Å; K231-W517 HydrophobicContact CG-CG 3.92Å; K231-W517 WeakPolarHBondContact O-CZ2 3.28Å
232	Q	92.7	Very high	91.5	Very high	80 Å²	80	62 Å²	62	37%	0.374	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	161.3	-179.2	68.5	178.5	-0.1	0	0	110.5	D227 R230 M234 W517	D227-Q232 HydrophobicContact CB-CG 4.05Å; D227-Q232 WeakPolarHBondContact CB-O 3.09Å; D227-Q232 PolarHBondContact N-O 2.84Å; D227-Q232 PolarHBondContact O-N 2.86Å; R230-Q232 VanDerWaalsContact C-N 3.32Å; R230-Q232 HydrophobicContact CB-CG 3.68Å; R230-Q232 PolarHBondContact O-N 2.84Å; Q232-M234 HydrophobicContact CG-CG 4.38Å; Q232-W517 WeakPolarHBondContact O-CZ3 3.36Å
233	W	94.5	Very high	91.4	Very high	22 Å²	22	62.4 Å²	62.4	8%	0.083	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	135.9	169.8	-63.7	95.8	0	0	0	110.8	C144 F178 L179 I205 W224 T225 T226 W517	C144-W233 PolarHBondContact O-NE1 2.97Å; F178-W233 AromaticContact CE2-CD1 3.39Å; F178-W233 HydrophobicContact CE2-CG 4.34Å; F178-W233 AromaticContact CE2-NE1 3.61Å; F178-W233 AromaticContact CZ-CD1 3.69Å; F178-W233 HydrophobicContact CZ-CG 4.37Å; F178-W233 AromaticContact CZ-NE1 3.66Å; L179-W233 HydrophobicContact CD2-CB 3.41Å; L179-W233 VanDerWaalsContact CD2-CB 3.41Å; L179-W233 HydrophobicContact CD2-CG 3.85Å; I205-W233 HydrophobicContact CD1-CD2 3.79Å; I205-W233 HydrophobicContact CD1-CE3 3.98Å; I205-W233 HydrophobicContact CD1-CG 4.43Å; I205-W233 HydrophobicContact CD1-CH2 3.98Å; I205-W233 HydrophobicContact CD1-CZ2 3.79Å; I205-W233 HydrophobicContact CD1-CZ3 4.07Å; I205-W233 HydrophobicContact CG1-CD2 4.48Å; I205-W233 HydrophobicContact CG1-CE3 4.18Å; I205-W233 HydrophobicContact CG1-CH2 3.9Å; I205-W233 HydrophobicContact CG1-CZ2 4.22Å; I205-W233 HydrophobicContact CG1-CZ3 3.88Å; W224-W233 HydrophobicContact CB-CB 4.43Å; W224-W233 HydrophobicContact CB-CE3 4.21Å; W224-W233 HydrophobicContact CE3-CB 4.16Å; T225-W233 CarbonylContact O-C 3.56Å; T225-W233 WeakPolarHBondContact O-CA 3.38Å; T226-W233 HydrophobicContact CG2-CD2 4.42Å; T226-W233 HydrophobicContact CG2-CE3 3.94Å; T226-W233 HydrophobicContact CG2-CH2 3.66Å; T226-W233 HydrophobicContact CG2-CZ2 4.16Å; T226-W233 HydrophobicContact CG2-CZ3 3.53Å; W233-W517 AromaticContact CD1-CH2 3.73Å; W233-W517 HydrophobicContact CD2-CZ3 4.48Å; W233-W517 HydrophobicContact CG-CH2 4.36Å; W233-W517 HydrophobicContact CG-CZ3 4.48Å; W233-W517 AromaticContact NE1-CH2 3.56Å
234	M	93.6	Very high	91.3	Very high	61 Å²	61	62.1 Å²	62.1	30%	0.3	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.9	174.2	-68.2	-162.7	-53.3	0	0	111	W224 T225 D227 Q232 L236	W224-M234 CarbonylContact C-O 3.59Å; W224-M234 VanDerWaalsContact CA-O 3.29Å; W224-M234 WeakPolarHBondContact CA-O 3.2Å; W224-M234 VanDerWaalsContact CE3-C 3.46Å; T225-M234 PolarHBondContact N-O 2.92Å; T225-M234 PolarHBondContact O-N 2.81Å; D227-M234 HydrophobicContact CB-CE 3.74Å; D227-M234 HydrophobicContact CB-CG 3.92Å; D227-M234 HydrophobicContact CB-SD 3.96Å; D227-M234 WeakPolarHBondContact OD2-CE 3.46Å; Q232-M234 HydrophobicContact CG-CG 4.38Å; M234-L236 PolarHBondContact O-N 2.86Å
235	P	93.8	Very high	90.9	Very high	75 Å²	75	67.5 Å²	67.5	49%	0.487	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	129.4	176.6	29.2	-33	0	0	0	109.8	W224	W224-P235 HydrophobicContact CD2-CB 4.42Å; W224-P235 HydrophobicContact CE3-CB 4.21Å; W224-P235 HydrophobicContact CH2-CB 4.44Å; W224-P235 HydrophobicContact CZ3-CB 4.24Å; W224-P235 HydrophobicContact CZ3-CG 4.28Å
236	L	92.3	Very high	90.2	Very high	30 Å²	30	66.8 Å²	66.8	16%	0.157	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-74	147.2	172.3	-166.1	67	0	0	0	109.7	T198 V223 T225 M234 I240	T198-L236 HydrophobicContact CG2-CD2 4.14Å; V223-L236 HydrophobicContact CB-CB 3.99Å; V223-L236 HydrophobicContact CB-CD2 4.13Å; V223-L236 HydrophobicContact CG1-CB 4.1Å; V223-L236 HydrophobicContact CG1-CD2 3.71Å; V223-L236 WeakPolarHBondContact O-CB 3.18Å; V223-L236 PolarHBondContact O-N 2.99Å; T225-L236 HydrophobicContact CG2-CD1 4.15Å; M234-L236 PolarHBondContact O-N 2.86Å; L236-I240 HydrophobicContact CD1-CD1 3.59Å; L236-I240 HydrophobicContact CD2-CB 4.11Å; L236-I240 HydrophobicContact CD2-CD1 4.24Å; L236-I240 HydrophobicContact CD2-CG2 3.82Å; L236-I240 HydrophobicContact CG-CB 4.28Å; L236-I240 HydrophobicContact CG-CD1 3.74Å; L236-I240 HydrophobicContact CG-CG2 4.46Å
237	A	89	Confident	89.4	Confident	55 Å²	55	69.9 Å²	69.9	46%	0.455	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-63.7	132.4	-178.8	0	0	0	0	0	111.1	A239 I240	A237-A239 PolarHBondContact O-N 2.88Å; A237-I240 HydrophobicContact CB-CD1 4.32Å; A237-I240 WeakPolarHBondContact O-CB 3.3Å; A237-I240 PolarHBondContact O-N 3.47Å
238	P	84.2	Confident	88.3	Confident	87 Å²	87	74.4 Å²	74.4	57%	0.565	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.3	179.3	-26	33.9	0	0	0	114.6	I240 F241 P242	P238-I240 PolarHBondContact O-N 3.16Å; P238-F241 CarbonylContact O-C 3.54Å; P238-F241 VanDerWaalsContact O-C 3.24Å; P238-P242 WeakPolarHBondContact O-CA 3.33Å; P238-P242 VanDerWaalsContact O-N 3.17Å
239	A	86.5	Confident	86.7	Confident	90 Å²	90	78.2 Å²	78.2	74%	0.744	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.6	174.9	0	0	0	0	0	113.3	A237	A237-A239 PolarHBondContact O-N 2.88Å
240	I	86.6	Confident	84.7	Confident	77 Å²	77	74.6 Å²	74.6	40%	0.395	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-43.3	179.2	-62.7	169.2	0	0	0	109.9	L236 A237 P238 W297	L236-I240 HydrophobicContact CD1-CD1 3.59Å; L236-I240 HydrophobicContact CD2-CB 4.11Å; L236-I240 HydrophobicContact CD2-CD1 4.24Å; L236-I240 HydrophobicContact CD2-CG2 3.82Å; L236-I240 HydrophobicContact CG-CB 4.28Å; L236-I240 HydrophobicContact CG-CD1 3.74Å; L236-I240 HydrophobicContact CG-CG2 4.46Å; A237-I240 HydrophobicContact CB-CD1 4.32Å; A237-I240 WeakPolarHBondContact O-CB 3.3Å; A237-I240 PolarHBondContact O-N 3.47Å; P238-I240 PolarHBondContact O-N 3.16Å; I240-W297 WeakPolarHBondContact O-CZ2 3.39Å
241	F	90.8	Very high	82.7	Confident	5 Å²	5	70 Å²	70	2%	0.022	38%	0.377	C	S	.	.	S	Bend	trans	-125.3	80.5	176	-161	-106.9	0	0	0	110	I197 F221 V223 P238 A278 W297 W302	I197-F241 HydrophobicContact CD1-CD2 3.47Å; I197-F241 VanDerWaalsContact CD1-CD2 3.47Å; I197-F241 HydrophobicContact CD1-CE1 4.47Å; I197-F241 HydrophobicContact CD1-CE2 3.31Å; I197-F241 HydrophobicContact CD1-CG 4.17Å; I197-F241 HydrophobicContact CD1-CZ 3.85Å; F221-F241 HydrophobicContact CB-CD1 3.86Å; F221-F241 HydrophobicContact CB-CE1 3.67Å; F221-F241 HydrophobicContact CD2-CD1 4.31Å; F221-F241 AromaticContact CD2-CE1 3.5Å; F221-F241 HydrophobicContact CD2-CE1 3.5Å; F221-F241 HydrophobicContact CD2-CZ 4.36Å; F221-F241 HydrophobicContact CE2-CE1 4.31Å; F221-F241 HydrophobicContact CG-CD1 4.41Å; F221-F241 AromaticContact CG-CE1 3.73Å; F221-F241 HydrophobicContact CG-CE1 3.73Å; V223-F241 HydrophobicContact CG2-CB 3.86Å; V223-F241 HydrophobicContact CG2-CD1 3.81Å; V223-F241 HydrophobicContact CG2-CG 4.02Å; P238-F241 CarbonylContact O-C 3.54Å; P238-F241 VanDerWaalsContact O-C 3.24Å; F241-A278 HydrophobicContact CE2-CB 3.81Å; F241-A278 HydrophobicContact CZ-CB 3.68Å; F241-W297 AromaticContact CD2-CD2 3.65Å; F241-W297 HydrophobicContact CD2-CD2 3.65Å; F241-W297 AromaticContact CD2-CE2 3.45Å; F241-W297 VanDerWaalsContact CD2-CE2 3.45Å; F241-W297 HydrophobicContact CD2-CE3 4.12Å; F241-W297 HydrophobicContact CD2-CG 4.03Å; F241-W297 HydrophobicContact CD2-CH2 4.22Å; F241-W297 AromaticContact CD2-CZ2 3.77Å; F241-W297 HydrophobicContact CD2-CZ2 3.77Å; F241-W297 HydrophobicContact CD2-CZ3 4.37Å; F241-W297 AromaticContact CD2-NE1 3.69Å; F241-W297 HydrophobicContact CE2-CB 4.13Å; F241-W297 AromaticContact CE2-CD2 3.46Å; F241-W297 HydrophobicContact CE2-CD2 3.46Å; F241-W297 VanDerWaalsContact CE2-CD2 3.46Å; F241-W297 AromaticContact CE2-CE2 3.81Å; F241-W297 AromaticContact CE2-CE3 3.76Å; F241-W297 HydrophobicContact CE2-CE3 3.76Å; F241-W297 AromaticContact CE2-CG 3.63Å; F241-W297 HydrophobicContact CE2-CG 3.63Å; F241-W297 HydrophobicContact CE2-CZ2 4.39Å; F241-W297 HydrophobicContact CE2-CZ3 4.33Å; F241-W302 AromaticContact CE1-CZ2 3.99Å; F241-W302 HydrophobicContact CE1-CZ2 3.99Å; F241-W302 HydrophobicContact CE2-CH2 4.44Å; F241-W302 HydrophobicContact CE2-CZ2 4.03Å; F241-W302 AromaticContact CZ-CH2 3.89Å; F241-W302 HydrophobicContact CZ-CH2 3.89Å; F241-W302 AromaticContact CZ-CZ2 3.56Å; F241-W302 HydrophobicContact CZ-CZ2 3.56Å
242	P	92.3	Very high	80.8	Confident	33 Å²	33	64.1 Å²	64.1	21%	0.214	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-70.3	160.4	-172.4	27.6	-34.2	0	0	0	112.5	P238 W302	P238-P242 WeakPolarHBondContact O-CA 3.33Å; P238-P242 VanDerWaalsContact O-N 3.17Å; P242-W302 PolarHBondContact O-NE1 2.75Å
243	P	92.1	Very high	78.7	Confident	26 Å²	26	62.3 Å²	62.3	17%	0.169	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-64.7	154.7	170.9	25.5	-32.4	0	0	0	112.3	E217 H220 I245	E217-P243 HydrophobicContact CB-CB 4.31Å; E217-P243 VanDerWaalsContact CD-CB 3.42Å; E217-P243 HydrophobicContact CG-CB 3.85Å; E217-P243 HydrophobicContact CG-CG 4.26Å; E217-P243 WeakPolarHBondContact OE2-CB 3.19Å; H220-P243 HydrophobicContact CB-CB 4.25Å; P243-I245 PolarHBondContact O-N 2.8Å
244	I	91.9	Very high	76.4	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-78.9	116.1	174.8	-55.2	-174.3	0	0	0	108.8	E217 V218 A219 V280 Y295 W302	E217-I244 CarbonylContact C-O 3.49Å; E217-I244 VanDerWaalsContact CA-O 3.29Å; E217-I244 WeakPolarHBondContact CA-O 3.37Å; V218-I244 HydrophobicContact CB-CB 4.24Å; V218-I244 HydrophobicContact CB-CG2 3.97Å; V218-I244 HydrophobicContact CG2-CG2 4.36Å; V218-I244 PolarHBondContact N-O 3.27Å; A219-I244 HydrophobicContact CB-CB 4.42Å; A219-I244 HydrophobicContact CB-CD1 3.91Å; A219-I244 HydrophobicContact CB-CG1 4.23Å; A219-I244 PolarHBondContact O-N 2.56Å; I244-V280 HydrophobicContact CD1-CB 3.71Å; I244-V280 HydrophobicContact CD1-CG1 4.08Å; I244-V280 HydrophobicContact CD1-CG2 3.8Å; I244-Y295 HydrophobicContact CD1-CG 4.3Å; I244-Y295 HydrophobicContact CG2-CD1 3.25Å; I244-Y295 HydrophobicContact CG2-CD2 4.07Å; I244-Y295 HydrophobicContact CG2-CE1 3.54Å; I244-Y295 HydrophobicContact CG2-CE2 4.34Å; I244-Y295 HydrophobicContact CG2-CG 3.53Å; I244-W302 HydrophobicContact CD1-CD2 4.1Å; I244-W302 HydrophobicContact CD1-CE3 3.88Å; I244-W302 HydrophobicContact CD1-CH2 3.68Å; I244-W302 HydrophobicContact CD1-CZ2 3.89Å; I244-W302 HydrophobicContact CD1-CZ3 3.67Å; I244-W302 HydrophobicContact CG1-CD2 3.67Å; I244-W302 VanDerWaalsContact CG1-CE2 3.48Å; I244-W302 HydrophobicContact CG1-CE3 3.99Å; I244-W302 HydrophobicContact CG1-CG 4.23Å; I244-W302 HydrophobicContact CG1-CH2 4.02Å; I244-W302 HydrophobicContact CG1-CZ2 3.67Å; I244-W302 HydrophobicContact CG1-CZ3 4.15Å
245	I	88.2	Confident	74.3	Confident	114 Å²	114	70.2 Å²	70.2	59%	0.585	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-96.6	131.4	175.7	-59.2	175.6	0	0	0	109.2	P243 K247	P243-I245 PolarHBondContact O-N 2.8Å; I245-K247 PolarHBondContact O-N 2.78Å
246	P	80.1	Confident	72.2	Confident	9 Å²	9	71.8 Å²	71.8	6%	0.058	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-66.5	122.6	179.7	24.6	-30.1	0	0	0	111.4	T216 V218 K248 F252	T216-P246 WeakPolarHBondContact O-CD 3.49Å; V218-P246 HydrophobicContact CG2-CB 3.65Å; V218-P246 HydrophobicContact CG2-CG 4.11Å; P246-K248 VanDerWaalsContact C-N 3.3Å; P246-K248 PolarHBondContact O-N 2.94Å; P246-F252 HydrophobicContact CB-CD2 3.83Å; P246-F252 HydrophobicContact CB-CE2 3.18Å; P246-F252 HydrophobicContact CB-CZ 3.68Å; P246-F252 HydrophobicContact CG-CE2 4.31Å
247	K	74.8	Confident	70.6	Confident	85 Å²	85	78 Å²	78	37%	0.37	43%	0.434	S	S	.	.	S	Bend	trans	-62.9	-32.3	-179	-168.4	177.7	-177.2	173	0	113.8	I245 W304 E373	I245-K247 PolarHBondContact O-N 2.78Å; K247-W304 HydrophobicContact CD-CB 4.29Å; K247-W304 HydrophobicContact CD-CD2 3.84Å; K247-W304 HydrophobicContact CD-CE3 3.42Å; K247-W304 VanDerWaalsContact CD-CE3 3.42Å; K247-W304 HydrophobicContact CD-CG 4.26Å; K247-W304 HydrophobicContact CD-CZ3 3.98Å; K247-E373 WeakPolarHBondContact CE-OE1 3.5Å; K247-E373 WeakPolarHBondContact CE-OE2 3.35Å; K247-E373 IonicContact NZ-OE1 3.27Å; K247-E373 PolarHBondContact NZ-OE1 3.01Å; K247-E373 IonicContact NZ-OE2 2.73Å; K247-E373 PolarHBondContact NZ-OE2 2.88Å
248	K	67.9	Low	69.5	Low	114 Å²	114	77 Å²	77	50%	0.496	42%	0.421	S	S	.	.			trans	-129.6	97	178.9	-73.1	-179.6	179.1	176.4	0	110.8	P246 S250 L251 F252	P246-K248 VanDerWaalsContact C-N 3.3Å; P246-K248 PolarHBondContact O-N 2.94Å; K248-S250 PolarHBondContact O-N 3.23Å; K248-L251 HydrophobicContact CB-CB 4.4Å; K248-L251 HydrophobicContact CB-CD1 3.79Å; K248-L251 HydrophobicContact CB-CG 4.07Å; K248-L251 HydrophobicContact CD-CD1 3.51Å; K248-L251 HydrophobicContact CD-CG 4.34Å; K248-L251 HydrophobicContact CG-CD1 4.28Å; K248-L251 PolarHBondContact O-N 2.77Å; K248-L251 VanDerWaalsContact O-N 3.17Å; K248-F252 WeakPolarHBondContact O-CD2 3.28Å
249	R	55	Low	69	Low	186 Å²	186	78.2 Å²	78.2	70%	0.702	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-56.2	-32	176.4	-72.4	-174.3	-180	170.4	0.3	113.8	L251 F252	R249-L251 PolarHBondContact O-N 2.71Å; R249-F252 PolarHBondContact O-N 3.15Å
250	S	49.5	Very low	68.6	Low	110 Å²	110	75.2 Å²	75.2	77%	0.769	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-70.1	-14.6	-178.9	59.3	0	0	0	0	114.9	K248	K248-S250 PolarHBondContact O-N 3.23Å
251	L	48.7	Very low	68.5	Low	69 Å²	69	72.7 Å²	72.7	36%	0.361	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-91.6	-7.2	179.2	-68.6	174.8	0	0	0	113.5	K248 R249 P253	K248-L251 HydrophobicContact CB-CB 4.4Å; K248-L251 HydrophobicContact CB-CD1 3.79Å; K248-L251 HydrophobicContact CB-CG 4.07Å; K248-L251 HydrophobicContact CD-CD1 3.51Å; K248-L251 HydrophobicContact CD-CG 4.34Å; K248-L251 HydrophobicContact CG-CD1 4.28Å; K248-L251 PolarHBondContact O-N 2.77Å; K248-L251 VanDerWaalsContact O-N 3.17Å; R249-L251 PolarHBondContact O-N 2.71Å; L251-P253 VanDerWaalsContact O-CD 3.24Å; L251-P253 WeakPolarHBondContact O-CD 3.43Å
252	F	51.6	Low	68.4	Low	19 Å²	19	73 Å²	73	8%	0.083	38%	0.382	C	S	.	.	S	Bend	trans	-94.9	100.6	170	-67.1	-93	0	0	0	107	V218 P246 K248 R249 L254 S260	V218-F252 HydrophobicContact CG2-CE1 4.16Å; V218-F252 HydrophobicContact CG2-CZ 3.76Å; P246-F252 HydrophobicContact CB-CD2 3.83Å; P246-F252 HydrophobicContact CB-CE2 3.18Å; P246-F252 HydrophobicContact CB-CZ 3.68Å; P246-F252 HydrophobicContact CG-CE2 4.31Å; K248-F252 WeakPolarHBondContact O-CD2 3.28Å; R249-F252 PolarHBondContact O-N 3.15Å; F252-L254 PolarHBondContact O-N 2.95Å; F252-S260 WeakPolarHBondContact CD1-OG 3.43Å; F252-S260 WeakPolarHBondContact CE1-OG 3.4Å
253	P	48.4	Very low	68.4	Low	41 Å²	41	71.6 Å²	71.6	27%	0.266	37%	0.373	S	S	.	.			trans	-61.8	103.8	178.6	23.6	-30.9	0	0	0	108.9	R215 L251 T255	R215-P253 PolarHBondContact NH1-O 2.92Å; L251-P253 VanDerWaalsContact O-CD 3.24Å; L251-P253 WeakPolarHBondContact O-CD 3.43Å; P253-T255 PolarHBondContact O-N 3Å
254	L	46.4	Very low	68.5	Low	127 Å²	127	71 Å²	71	67%	0.665	37%	0.371	S	S	*	.	S	Bend	trans	-67.2	-14.4	176.2	-72.2	163.8	0	0	0	112.1	F252	F252-L254 PolarHBondContact O-N 2.95Å
255	T	49.5	Very low	68.7	Low	122 Å²	122	71.7 Å²	71.7	75%	0.748	38%	0.375	S	S	*	.	S	Bend	trans	-109.2	-16.4	-163.7	56.2	0	0	0	0	114.8	P253	P253-T255 PolarHBondContact O-N 3Å
256	N	49.8	Very low	69.1	Low	108 Å²	108	66.8 Å²	66.8	58%	0.578	35%	0.35	S	S	*	.	S	Bend	trans	-110.6	146.9	178.5	-71.1	1.5	0	0	0	108.8	D258	N256-D258 HydrophobicContact CB-CB 4.33Å; N256-D258 PolarHBondContact O-N 2Å
257	N	59.9	Low	69.9	Low	161 Å²	161	66.5 Å²	66.5	86%	0.861	35%	0.348	S	S	*	.	S	Bend	trans	-56.9	12.1	170.8	-72.4	3.7	0	0	0	114.3	E259	N257-E259 PolarHBondContact O-N 2.86Å
258	D	65.7	Low	71	Confident	34 Å²	34	62.8 Å²	62.8	18%	0.182	33%	0.332	C	S	.	.			trans	-87.3	88.9	177.2	-162.3	23.8	0	0	0	107.7	N256 S285 Q286 A287	N256-D258 HydrophobicContact CB-CB 4.33Å; N256-D258 PolarHBondContact O-N 2Å; D258-S285 VanDerWaalsContact CG-OG 3.27Å; D258-S285 PolarHBondContact OD1-OG 3.47Å; D258-S285 WeakPolarHBondContact OD2-CB 3.24Å; D258-S285 PolarHBondContact OD2-OG 3.22Å; D258-Q286 WeakPolarHBondContact OD1-CA 3.43Å; D258-Q286 VanDerWaalsContact OD1-CB 3.31Å; D258-Q286 WeakPolarHBondContact OD1-CB 3.27Å; D258-Q286 PolarHBondContact OD1-N 2.82Å; D258-A287 PolarHBondContact OD1-N 3Å
259	E	72.9	Confident	72.4	Confident	112 Å²	112	57.8 Å²	57.8	52%	0.523	31%	0.31	S	S	.	.			trans	-80	151.2	177.5	-50.7	-173.6	142.4	0	0	110.7	N257 Q286	N257-E259 PolarHBondContact O-N 2.86Å; E259-Q286 VanDerWaalsContact O-CG 3.24Å; E259-Q286 WeakPolarHBondContact O-CG 3.45Å; E259-Q286 PolarHBondContact O-N 2.83Å
260	S	79.2	Confident	74.4	Confident	28 Å²	28	49 Å²	49	20%	0.196	28%	0.277	C	S	.	.			trans	-74.7	142.4	170.4	-55.8	0	0	0	0	109.7	F252 C283 P284	F252-S260 WeakPolarHBondContact CD1-OG 3.43Å; F252-S260 WeakPolarHBondContact CE1-OG 3.4Å; S260-C283 CarbonylContact C-O 3.56Å; S260-C283 WeakPolarHBondContact CA-O 3.27Å; S260-P284 PolarHBondContact OG-O 3.1Å
261	L	84.3	Confident	76.5	Confident	24 Å²	24	45.1 Å²	45.1	13%	0.126	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.4	179	-60.7	153.2	0	0	0	108.4	V282 C283 Q286 F324 F329	L261-V282 CarbonylContact O-C 3.6Å; L261-V282 WeakPolarHBondContact O-CA 3.21Å; L261-C283 HydrophobicContact CB-CB 4.13Å; L261-C283 HydrophobicContact CD1-CB 4.42Å; L261-C283 PolarHBondContact N-O 3.29Å; L261-C283 PolarHBondContact O-N 2.8Å; L261-Q286 HydrophobicContact CD1-CB 4.28Å; L261-Q286 HydrophobicContact CD1-CG 3.59Å; L261-Q286 HydrophobicContact CD2-CG 3.65Å; L261-Q286 HydrophobicContact CG-CG 3.53Å; L261-F324 HydrophobicContact CD1-CB 4.25Å; L261-F324 HydrophobicContact CD1-CD1 3.17Å; L261-F324 HydrophobicContact CD1-CD2 3.96Å; L261-F324 HydrophobicContact CD1-CE1 3.21Å; L261-F324 HydrophobicContact CD1-CE2 4.02Å; L261-F324 HydrophobicContact CD1-CG 3.54Å; L261-F324 HydrophobicContact CD1-CZ 3.65Å; L261-F324 HydrophobicContact CD2-CB 4.23Å; L261-F324 HydrophobicContact CD2-CD1 4.26Å; L261-F324 HydrophobicContact CD2-CG 4.4Å; L261-F324 HydrophobicContact CG-CD1 4.22Å; L261-F324 HydrophobicContact CG-CE1 4.49Å; L261-F329 HydrophobicContact CB-CD1 4.31Å; L261-F329 HydrophobicContact CB-CE1 3.84Å; L261-F329 WeakPolarHBondContact O-CE1 3.5Å
262	V	89	Confident	78.7	Confident	12 Å²	12	42.2 Å²	42.2	7%	0.073	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.9	176.6	177.8	0	0	0	0	107.4	R187 V218 A219 V280 V282	R187-V262 VanDerWaalsContact NH1-CB 3.26Å; R187-V262 PolarHBondContact NH1-O 3.43Å; R187-V262 PolarHBondContact NH2-O 3.1Å; V218-V262 HydrophobicContact CG1-CG2 3.89Å; A219-V262 HydrophobicContact CB-CG1 4.21Å; V262-V280 HydrophobicContact CG1-CG1 3.41Å; V262-V280 VanDerWaalsContact CG1-CG1 3.41Å; V262-V282 HydrophobicContact CG1-CG2 4.36Å; V262-V282 HydrophobicContact CG2-CG1 4.22Å; V262-V282 HydrophobicContact CG2-CG2 4.12Å
263	G	91.5	Very high	80.7	Confident	2 Å²	2	44.1 Å²	44.1	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	179.1	-179.8	0	0	0	0	0	112.8	A281 F329	G263-A281 PolarHBondContact N-O 2.81Å; G263-F329 WeakPolarHBondContact CA-O 3.28Å
264	A	93.6	Very high	83	Confident	15 Å²	15	42.2 Å²	42.2	12%	0.124	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	137.2	169.8	0	0	0	0	0	110.3	V191 P328 F329 A330	V191-A264 HydrophobicContact CG1-CB 4.16Å; V191-A264 HydrophobicContact CG2-CB 4.29Å; A264-P328 HydrophobicContact CB-CG 4.48Å; A264-F329 PolarHBondContact N-O 3.4Å; A264-F329 VanDerWaalsContact N-O 3.09Å; A264-A330 HydrophobicContact CB-CB 4.42Å
265	P	96.1	Very high	85.3	Confident	13 Å²	13	42.4 Å²	42.4	8%	0.084	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	147.9	174.3	30.9	-35.2	0	0	0	110.8	V191 F221 F267 V280	V191-P265 HydrophobicContact CG1-CG 4.49Å; F221-P265 HydrophobicContact CE1-CB 4.12Å; F221-P265 HydrophobicContact CE1-CG 4.15Å; F221-P265 HydrophobicContact CZ-CB 4.2Å; P265-F267 HydrophobicContact CB-CE2 3.92Å; P265-F267 HydrophobicContact CB-CZ 4.12Å; P265-F267 HydrophobicContact CG-CE2 4.08Å; P265-F267 HydrophobicContact CG-CZ 4.48Å; P265-V280 HydrophobicContact CB-CG2 4.39Å
266	L	97.2	Very high	87.6	Confident	12 Å²	12	36.8 Å²	36.8	6%	0.063	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	146	173.7	-66.7	175.6	0	0	0	109.6	F270 A278 L279 V331 A333 L344 Y484	L266-F270 HydrophobicContact CB-CZ 4.46Å; L266-A278 CarbonylContact O-C 3.21Å; L266-A278 WeakPolarHBondContact O-CA 3.44Å; L266-L279 HydrophobicContact CB-CB 4.33Å; L266-L279 HydrophobicContact CD1-CD2 4.05Å; L266-L279 PolarHBondContact N-O 2.79Å; L266-L279 PolarHBondContact O-N 2.89Å; L266-V331 HydrophobicContact CD1-CB 4.2Å; L266-V331 HydrophobicContact CD1-CG1 4.28Å; L266-V331 WeakPolarHBondContact CD1-O 3.43Å; L266-V331 WeakPolarHBondContact CD2-O 3.4Å; L266-A333 HydrophobicContact CD1-CB 4.26Å; L266-L344 HydrophobicContact CD1-CD2 3.9Å; L266-Y484 WeakPolarHBondContact CD2-OH 3.41Å
267	F	97.8	Very high	89.8	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	114.1	178.2	-59.3	-87.3	0	0	0	109.4	A193 V195 I197 V206 P265 I276 D277 A278 Y484	A193-F267 HydrophobicContact CB-CD2 3.89Å; A193-F267 HydrophobicContact CB-CE2 3.39Å; A193-F267 HydrophobicContact CB-CZ 4.06Å; V195-F267 HydrophobicContact CB-CG 4.47Å; V195-F267 HydrophobicContact CG1-CD1 3.92Å; V195-F267 HydrophobicContact CG1-CD2 4.33Å; V195-F267 HydrophobicContact CG1-CE1 4.07Å; V195-F267 HydrophobicContact CG1-CE2 4.48Å; V195-F267 HydrophobicContact CG1-CG 4.05Å; V195-F267 HydrophobicContact CG1-CZ 4.35Å; V195-F267 HydrophobicContact CG2-CB 3.84Å; V195-F267 HydrophobicContact CG2-CD1 4.33Å; V195-F267 HydrophobicContact CG2-CG 4.11Å; I197-F267 HydrophobicContact CD1-CD1 4.48Å; I197-F267 HydrophobicContact CD1-CE1 4.08Å; I197-F267 HydrophobicContact CG1-CE1 4.44Å; V206-F267 HydrophobicContact CB-CZ 4.18Å; V206-F267 HydrophobicContact CG1-CE1 4.4Å; V206-F267 HydrophobicContact CG1-CZ 3.91Å; V206-F267 HydrophobicContact CG2-CE1 4.45Å; V206-F267 HydrophobicContact CG2-CZ 4.42Å; P265-F267 HydrophobicContact CB-CE2 3.92Å; P265-F267 HydrophobicContact CB-CZ 4.12Å; P265-F267 HydrophobicContact CG-CE2 4.08Å; P265-F267 HydrophobicContact CG-CZ 4.48Å; F267-I276 HydrophobicContact CB-CG2 3.87Å; F267-I276 HydrophobicContact CD1-CG2 4.21Å; F267-D277 VanDerWaalsContact CA-O 3.32Å; F267-D277 WeakPolarHBondContact CA-O 3.42Å; F267-A278 HydrophobicContact CD1-CB 3.8Å; F267-A278 HydrophobicContact CE1-CB 3.7Å; F267-Y484 HydrophobicContact CB-CD1 4.49Å; F267-Y484 HydrophobicContact CB-CE1 4.33Å; F267-Y484 AromaticContact CD2-CD2 3.82Å; F267-Y484 HydrophobicContact CD2-CD2 3.82Å; F267-Y484 AromaticContact CD2-CE2 3.69Å; F267-Y484 HydrophobicContact CD2-CE2 3.69Å; F267-Y484 HydrophobicContact CD2-CG 4.45Å; F267-Y484 HydrophobicContact CE2-CD2 4.49Å; F267-Y484 HydrophobicContact CE2-CE2 4.44Å
268	E	97.3	Very high	91.6	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.037	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	160	-178.3	-70.3	-64.4	-180	0	0	108.9	F270 D277 A333 A342 H480 K496	E268-F270 HydrophobicContact CB-CD1 4.28Å; E268-F270 HydrophobicContact CB-CD2 4.16Å; E268-F270 HydrophobicContact CB-CE1 3.99Å; E268-F270 HydrophobicContact CB-CE2 3.85Å; E268-F270 HydrophobicContact CB-CG 4.37Å; E268-F270 HydrophobicContact CB-CZ 3.77Å; E268-F270 HydrophobicContact CG-CE1 4.36Å; E268-F270 HydrophobicContact CG-CZ 4.1Å; E268-F270 PolarHBondContact O-N 2.88Å; E268-D277 PolarHBondContact N-O 3.05Å; E268-D277 WeakPolarHBondContact O-CA 3.29Å; E268-D277 WeakPolarHBondContact O-CB 3.2Å; E268-D277 PolarHBondContact O-N 2.72Å; E268-A333 HydrophobicContact CG-CB 3.64Å; E268-A342 HydrophobicContact CB-CB 3.97Å; E268-A342 HydrophobicContact CG-CB 4.08Å; E268-H480 VanDerWaalsContact CD-ND1 3.26Å; E268-H480 IonicContact OE1-CE1 3.99Å; E268-H480 PolarHBondContact OE1-CE1 3.26Å; E268-H480 IonicContact OE1-ND1 3.3Å; E268-H480 PolarHBondContact OE1-ND1 3.47Å; E268-H480 IonicContact OE2-CE1 2.8Å; E268-H480 IonicContact OE2-CG 3.57Å; E268-H480 IonicContact OE2-ND1 2.74Å; E268-H480 PolarHBondContact OE2-ND1 3.34Å; E268-K496 IonicContact OE1-NZ 3.06Å; E268-K496 IonicContact OE2-NZ 2.72Å; E268-K496 PolarHBondContact OE2-NZ 3.42Å
269	D	96.9	Very high	93.1	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.043	11%	0.114	C	C	.	.			trans	-78.5	94.9	163.5	-174.4	-13.7	0	0	0	108.9	N271 A272 D273 G274 R275 G478 V479	D269-N271 PolarHBondContact OD1-N 2.86Å; D269-N271 PolarHBondContact OD1-OD1 3.05Å; D269-N271 VanDerWaalsContact OD1-OD1 3.08Å; D269-A272 WeakPolarHBondContact OD1-CA 3.35Å; D269-A272 PolarHBondContact OD1-N 3.17Å; D269-D273 PolarHBondContact OD1-N 3.4Å; D269-D273 VanDerWaalsContact OD1-N 3.12Å; D269-D273 PolarHBondContact OD2-N 3.25Å; D269-G274 WeakPolarHBondContact OD2-CA 3.32Å; D269-G274 PolarHBondContact OD2-N 3.07Å; D269-R275 WeakPolarHBondContact CB-O 3.12Å; D269-G478 VanDerWaalsContact OD2-CA 3.29Å; D269-G478 WeakPolarHBondContact OD2-CA 3.44Å; D269-V479 HydrophobicContact CB-CG1 3.88Å; D269-V479 PolarHBondContact OD2-N 2.84Å
270	F	96.6	Very high	94.2	Very high	1 Å²	1	17.2 Å²	17.2	0%	0.004	9%	0.089	C	C	.	.	S	Bend	trans	-84.6	-19.4	-175.7	-73.4	-68	0	0	0	112.2	L266 E268 D277 L279 L296 A333 A342 L344 N362 R376 F378	L266-F270 HydrophobicContact CB-CZ 4.46Å; E268-F270 HydrophobicContact CB-CD1 4.28Å; E268-F270 HydrophobicContact CB-CD2 4.16Å; E268-F270 HydrophobicContact CB-CE1 3.99Å; E268-F270 HydrophobicContact CB-CE2 3.85Å; E268-F270 HydrophobicContact CB-CG 4.37Å; E268-F270 HydrophobicContact CB-CZ 3.77Å; E268-F270 HydrophobicContact CG-CE1 4.36Å; E268-F270 HydrophobicContact CG-CZ 4.1Å; E268-F270 PolarHBondContact O-N 2.88Å; F270-D277 HydrophobicContact CD2-CB 3.85Å; F270-D277 PolarHBondContact N-OD2 2.96Å; F270-L279 HydrophobicContact CD2-CB 4.28Å; F270-L279 HydrophobicContact CE1-CD1 4.5Å; F270-L279 HydrophobicContact CE2-CB 3.45Å; F270-L279 VanDerWaalsContact CE2-CB 3.45Å; F270-L279 HydrophobicContact CE2-CD1 4.23Å; F270-L279 HydrophobicContact CE2-CG 4.45Å; F270-L279 HydrophobicContact CZ-CB 3.83Å; F270-L279 HydrophobicContact CZ-CD1 4.1Å; F270-L296 HydrophobicContact CB-CD1 4.05Å; F270-L296 HydrophobicContact CD2-CD1 3.37Å; F270-L296 HydrophobicContact CE2-CD1 4.08Å; F270-L296 HydrophobicContact CG-CD1 3.95Å; F270-A333 HydrophobicContact CE1-CB 4.22Å; F270-A333 HydrophobicContact CZ-CB 4.28Å; F270-A342 HydrophobicContact CD1-CB 3.82Å; F270-A342 WeakPolarHBondContact CD1-O 3.46Å; F270-A342 HydrophobicContact CE1-CB 3.88Å; F270-L344 HydrophobicContact CE1-CD2 3.87Å; F270-L344 HydrophobicContact CZ-CD2 4.18Å; F270-N362 PolarHBondContact O-ND2 3.28Å; F270-R376 VanDerWaalsContact O-CD 3.27Å; F270-R376 WeakPolarHBondContact O-CD 3.39Å; F270-F378 HydrophobicContact CD1-CE1 4.18Å; F270-F378 AromaticContact CD1-CZ 3.56Å; F270-F378 HydrophobicContact CD1-CZ 3.56Å; F270-F378 HydrophobicContact CE1-CE1 4.28Å; F270-F378 AromaticContact CE1-CZ 3.8Å; F270-F378 HydrophobicContact CE1-CZ 3.8Å; F270-F378 HydrophobicContact CG-CZ 4.2Å
271	N	94.9	Very high	94.9	Very high	30 Å²	30	16 Å²	16	16%	0.16	8%	0.08	C	C	.	.	S	Bend	trans	-110.1	2.6	-176.4	73.6	-3.3	0	0	0	114.1	D269 D273 D277 V298 F341	D269-N271 PolarHBondContact OD1-N 2.86Å; D269-N271 PolarHBondContact OD1-OD1 3.05Å; D269-N271 VanDerWaalsContact OD1-OD1 3.08Å; N271-D273 VanDerWaalsContact C-N 3.35Å; N271-D273 VanDerWaalsContact ND2-CG 3.33Å; N271-D273 PolarHBondContact ND2-OD2 3.22Å; N271-D273 VanDerWaalsContact OD1-CB 3.32Å; N271-D273 WeakPolarHBondContact OD1-CB 3.4Å; N271-D273 PolarHBondContact OD1-N 3.09Å; N271-D273 VanDerWaalsContact OD1-N 3.1Å; N271-D273 PolarHBondContact OD1-OD1 3.05Å; N271-D273 PolarHBondContact OD1-OD2 3.13Å; N271-D277 PolarHBondContact N-OD2 3.29Å; N271-V298 WeakPolarHBondContact ND2-CG1 3.1Å; N271-F341 WeakPolarHBondContact O-CE1 3.1Å
272	A	94.4	Very high	95.3	Very high	7 Å²	7	14.8 Å²	14.8	6%	0.058	7%	0.074	C	C	.	.	S	Bend	trans	56.5	39.1	-178.3	0	0	0	0	0	114.1	D269 F341 Y476 G477	D269-A272 WeakPolarHBondContact OD1-CA 3.35Å; D269-A272 PolarHBondContact OD1-N 3.17Å; A272-F341 HydrophobicContact CB-CD1 3.71Å; A272-F341 HydrophobicContact CB-CE1 3.26Å; A272-F341 HydrophobicContact CB-CZ 3.8Å; A272-Y476 HydrophobicContact CB-CD1 3.98Å; A272-G477 CarbonylContact C-O 3.49Å; A272-G477 VanDerWaalsContact C-O 3.23Å; A272-G477 VanDerWaalsContact CA-O 3.27Å; A272-G477 WeakPolarHBondContact CA-O 3.27Å; A272-G477 WeakPolarHBondContact CB-O 3.31Å; A272-G477 PolarHBondContact O-N 2.81Å
273	D	94.2	Very high	95.3	Very high	59 Å²	59	14.2 Å²	14.2	32%	0.316	7%	0.071	S	C	.	.	S	Bend	trans	-97	-6.2	178.6	75.6	8.8	0	0	0	114	D269 N271 R275	D269-D273 PolarHBondContact OD1-N 3.4Å; D269-D273 VanDerWaalsContact OD1-N 3.12Å; D269-D273 PolarHBondContact OD2-N 3.25Å; N271-D273 VanDerWaalsContact C-N 3.35Å; N271-D273 VanDerWaalsContact ND2-CG 3.33Å; N271-D273 PolarHBondContact ND2-OD2 3.22Å; N271-D273 VanDerWaalsContact OD1-CB 3.32Å; N271-D273 WeakPolarHBondContact OD1-CB 3.4Å; N271-D273 PolarHBondContact OD1-N 3.09Å; N271-D273 VanDerWaalsContact OD1-N 3.1Å; N271-D273 PolarHBondContact OD1-OD1 3.05Å; N271-D273 PolarHBondContact OD1-OD2 3.13Å; D273-R275 WeakPolarHBondContact OD1-CA 3.32Å; D273-R275 VanDerWaalsContact OD1-CB 3.31Å; D273-R275 WeakPolarHBondContact OD1-CB 3.43Å; D273-R275 PolarHBondContact OD1-N 2.84Å
274	G	95.3	Very high	94.9	Very high	2 Å²	2	14.8 Å²	14.8	2%	0.021	7%	0.074	C	C	.	.	S	Bend	trans	85.2	14.3	-178.6	0	0	0	0	0	114.4	D269 Q465 V479	D269-G274 WeakPolarHBondContact OD2-CA 3.32Å; D269-G274 PolarHBondContact OD2-N 3.07Å; G274-Q465 PolarHBondContact O-NE2 3.29Å; G274-V479 WeakPolarHBondContact O-CG1 3.26Å
275	R	96.3	Very high	94.1	Very high	131 Å²	131	15.3 Å²	15.3	49%	0.494	8%	0.077	S	C	.	.	S	Bend	trans	-116	151.5	171.2	-62.2	-178.2	176.1	-92.2	-6.1	110.6	D269 D273 D277 V479	D269-R275 WeakPolarHBondContact CB-O 3.12Å; D273-R275 WeakPolarHBondContact OD1-CA 3.32Å; D273-R275 VanDerWaalsContact OD1-CB 3.31Å; D273-R275 WeakPolarHBondContact OD1-CB 3.43Å; D273-R275 PolarHBondContact OD1-N 2.84Å; R275-D277 PolarHBondContact O-N 3.06Å; R275-V479 WeakPolarHBondContact O-CG1 3.08Å
276	I	97.2	Very high	92.9	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.021	9%	0.087	C	C	.	.			trans	-74.4	125.2	174.5	-65.3	-70.9	0	0	0	108.4	V195 D196 F267 W297 V479	V195-I276 HydrophobicContact CG2-CB 4.46Å; V195-I276 HydrophobicContact CG2-CD1 4.39Å; V195-I276 HydrophobicContact CG2-CG1 4.19Å; V195-I276 HydrophobicContact CG2-CG2 3.72Å; D196-I276 WeakPolarHBondContact O-CB 3.27Å; D196-I276 VanDerWaalsContact O-CG1 3.26Å; D196-I276 WeakPolarHBondContact O-CG1 3.45Å; F267-I276 HydrophobicContact CB-CG2 3.87Å; F267-I276 HydrophobicContact CD1-CG2 4.21Å; I276-W297 WeakPolarHBondContact O-CZ3 3.46Å; I276-V479 HydrophobicContact CD1-CB 4.46Å; I276-V479 HydrophobicContact CD1-CG1 3.83Å; I276-V479 HydrophobicContact CD1-CG2 4.17Å; I276-V479 HydrophobicContact CG1-CG1 3.95Å; I276-V479 HydrophobicContact CG1-CG2 4.26Å
277	D	96.7	Very high	91.8	Very high	1 Å²	1	21 Å²	21	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	163.6	165.7	-61.2	-43.1	0	0	0	110.1	F267 E268 F270 N271 R275 L296 W297 V298	F267-D277 VanDerWaalsContact CA-O 3.32Å; F267-D277 WeakPolarHBondContact CA-O 3.42Å; E268-D277 PolarHBondContact N-O 3.05Å; E268-D277 WeakPolarHBondContact O-CA 3.29Å; E268-D277 WeakPolarHBondContact O-CB 3.2Å; E268-D277 PolarHBondContact O-N 2.72Å; F270-D277 HydrophobicContact CD2-CB 3.85Å; F270-D277 PolarHBondContact N-OD2 2.96Å; N271-D277 PolarHBondContact N-OD2 3.29Å; R275-D277 PolarHBondContact O-N 3.06Å; D277-L296 HydrophobicContact CB-CD1 4.1Å; D277-W297 WeakPolarHBondContact CA-O 2.97Å; D277-W297 VanDerWaalsContact CB-O 3.23Å; D277-W297 WeakPolarHBondContact CB-O 3.36Å; D277-V298 WeakPolarHBondContact OD1-CA 3.35Å
278	A	97.2	Very high	91	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.2	172.7	0	0	0	0	0	111.2	F241 L266 F267 L296 W297 W302	F241-A278 HydrophobicContact CE2-CB 3.81Å; F241-A278 HydrophobicContact CZ-CB 3.68Å; L266-A278 CarbonylContact O-C 3.21Å; L266-A278 WeakPolarHBondContact O-CA 3.44Å; F267-A278 HydrophobicContact CD1-CB 3.8Å; F267-A278 HydrophobicContact CE1-CB 3.7Å; A278-L296 CarbonylContact O-C 3.57Å; A278-L296 WeakPolarHBondContact O-CA 2.93Å; A278-W297 HydrophobicContact CB-CB 4.1Å; A278-W297 HydrophobicContact CB-CE3 4.45Å; A278-W297 PolarHBondContact N-O 2.97Å; A278-W297 VanDerWaalsContact N-O 3.16Å; A278-W297 PolarHBondContact O-N 2.97Å; A278-W302 HydrophobicContact CB-CH2 4.11Å
279	L	96.8	Very high	90.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.9	176.4	-177.6	146.9	0	0	0	111	L266 F270 A281 L294 Y295 L296 L344 F378	L266-L279 HydrophobicContact CB-CB 4.33Å; L266-L279 HydrophobicContact CD1-CD2 4.05Å; L266-L279 PolarHBondContact N-O 2.79Å; L266-L279 PolarHBondContact O-N 2.89Å; F270-L279 HydrophobicContact CD2-CB 4.28Å; F270-L279 HydrophobicContact CE1-CD1 4.5Å; F270-L279 HydrophobicContact CE2-CB 3.45Å; F270-L279 VanDerWaalsContact CE2-CB 3.45Å; F270-L279 HydrophobicContact CE2-CD1 4.23Å; F270-L279 HydrophobicContact CE2-CG 4.45Å; F270-L279 HydrophobicContact CZ-CB 3.83Å; F270-L279 HydrophobicContact CZ-CD1 4.1Å; L279-A281 HydrophobicContact CD2-CB 4.49Å; L279-L294 HydrophobicContact CD2-CD2 4.25Å; L279-Y295 CarbonylContact C-O 3.53Å; L279-Y295 WeakPolarHBondContact CA-O 3.08Å; L279-L296 HydrophobicContact CB-CD1 4.2Å; L279-L296 HydrophobicContact CD1-CD1 4.37Å; L279-L344 HydrophobicContact CD1-CD1 4.11Å; L279-L344 HydrophobicContact CD2-CD1 4.45Å; L279-F378 HydrophobicContact CD1-CD2 4.22Å; L279-F378 HydrophobicContact CD1-CE2 3.43Å; L279-F378 VanDerWaalsContact CD1-CE2 3.43Å; L279-F378 HydrophobicContact CD1-CZ 3.77Å
280	V	95.6	Very high	90.1	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	111.8	176.1	-178.7	0	0	0	0	109.1	A219 F221 I244 V262 P265 V282 Y295 W302	A219-V280 HydrophobicContact CB-CG1 4.47Å; F221-V280 HydrophobicContact CE2-CG2 3.92Å; F221-V280 HydrophobicContact CZ-CG2 3.73Å; I244-V280 HydrophobicContact CD1-CB 3.71Å; I244-V280 HydrophobicContact CD1-CG1 4.08Å; I244-V280 HydrophobicContact CD1-CG2 3.8Å; V262-V280 HydrophobicContact CG1-CG1 3.41Å; V262-V280 VanDerWaalsContact CG1-CG1 3.41Å; P265-V280 HydrophobicContact CB-CG2 4.39Å; V280-V282 HydrophobicContact CG1-CG2 4.06Å; V280-Y295 PolarHBondContact N-O 2.8Å; V280-Y295 PolarHBondContact O-N 2.82Å; V280-W302 HydrophobicContact CG2-CH2 3.94Å; V280-W302 HydrophobicContact CG2-CZ3 4.2Å
281	A	94.3	Very high	89.8	Confident	2 Å²	2	29 Å²	29	2%	0.017	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	127.5	175.5	0	0	0	0	0	110.4	G263 L279 L292 L294 F329 V331	G263-A281 PolarHBondContact N-O 2.81Å; L279-A281 HydrophobicContact CD2-CB 4.49Å; A281-L292 HydrophobicContact CB-CD1 4.1Å; A281-L292 HydrophobicContact CB-CD2 4.04Å; A281-L292 HydrophobicContact CB-CG 4.2Å; A281-L294 HydrophobicContact CB-CD2 3.88Å; A281-F329 HydrophobicContact CB-CE2 3.95Å; A281-F329 HydrophobicContact CB-CZ 4.36Å; A281-F329 VanDerWaalsContact O-CZ 3.3Å; A281-F329 WeakPolarHBondContact O-CZ 3.25Å; A281-V331 HydrophobicContact CB-CG2 3.98Å
282	V	91.7	Very high	89.7	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.8	-176.9	-176.9	0	0	0	0	109.5	V218 L261 V262 V280 P284 D293 Y295	V218-V282 HydrophobicContact CG1-CB 4.4Å; V218-V282 HydrophobicContact CG1-CG1 3.9Å; V218-V282 HydrophobicContact CG1-CG2 3.7Å; L261-V282 CarbonylContact O-C 3.6Å; L261-V282 WeakPolarHBondContact O-CA 3.21Å; V262-V282 HydrophobicContact CG1-CG2 4.36Å; V262-V282 HydrophobicContact CG2-CG1 4.22Å; V262-V282 HydrophobicContact CG2-CG2 4.12Å; V280-V282 HydrophobicContact CG1-CG2 4.06Å; V282-P284 WeakPolarHBondContact O-CD 3.47Å; V282-D293 HydrophobicContact CB-CB 4.39Å; V282-D293 PolarHBondContact N-O 2.8Å; V282-D293 PolarHBondContact O-N 3.48Å; V282-Y295 HydrophobicContact CB-CD2 4.36Å; V282-Y295 HydrophobicContact CB-CE2 4.12Å; V282-Y295 HydrophobicContact CG2-CD2 3.73Å; V282-Y295 HydrophobicContact CG2-CE2 3.83Å
283	C	89.6	Confident	89.5	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118.1	168.8	-173.6	0	0	0	0	109.8	S260 L261 S285 C289 F329	S260-C283 CarbonylContact C-O 3.56Å; S260-C283 WeakPolarHBondContact CA-O 3.27Å; L261-C283 HydrophobicContact CB-CB 4.13Å; L261-C283 HydrophobicContact CD1-CB 4.42Å; L261-C283 PolarHBondContact N-O 3.29Å; L261-C283 PolarHBondContact O-N 2.8Å; C283-S285 VanDerWaalsContact C-N 3.28Å; C283-S285 PolarHBondContact O-N 3.12Å; C283-S285 PolarHBondContact SG-O 2.76Å; C283-C289 HydrophobicContact CB-CB 4.22Å; C283-C289 WeakPolarHBondContact CB-SG 3.16Å; C283-C289 WeakPolarHBondContact SG-CA 3.38Å; C283-C289 WeakPolarHBondContact SG-CB 3.24Å; C283-C289 CovalentContact SG-SG 2.01Å; C283-C289 PolarHBondContact SG-SG 3.49Å; C283-F329 HydrophobicContact CB-CE1 4.18Å; C283-F329 HydrophobicContact CB-CZ 4.26Å
284	P	83.2	Confident	89.6	Confident	13 Å²	13	24.8 Å²	24.8	8%	0.084	14%	0.138	C	C	.	.	S	Bend	trans	-67.3	-24.6	-174.8	-26.2	38.3	0	0	0	114.9	S260 V282 R291 D293	S260-P284 PolarHBondContact OG-O 3.1Å; V282-P284 WeakPolarHBondContact O-CD 3.47Å; P284-R291 HydrophobicContact CG-CG 4.36Å; P284-D293 WeakPolarHBondContact CG-OD2 3.28Å
285	S	77.8	Confident	89.5	Confident	26 Å²	26	25 Å²	25	18%	0.182	14%	0.139	C	C	.	.			trans	-132.3	130	-175	172.6	0	0	0	0	110.8	D258 C283 A287	D258-S285 VanDerWaalsContact CG-OG 3.27Å; D258-S285 PolarHBondContact OD1-OG 3.47Å; D258-S285 WeakPolarHBondContact OD2-CB 3.24Å; D258-S285 PolarHBondContact OD2-OG 3.22Å; C283-S285 VanDerWaalsContact C-N 3.28Å; C283-S285 PolarHBondContact O-N 3.12Å; C283-S285 PolarHBondContact SG-O 2.76Å; S285-A287 VanDerWaalsContact C-N 3.33Å; S285-A287 PolarHBondContact OG-N 3.08Å
286	Q	69.3	Low	89.5	Confident	66 Å²	66	19.2 Å²	19.2	31%	0.308	12%	0.118	S	C	.	.	S	Bend	trans	-66.2	-33.8	170.2	-91.6	170.5	7.6	0	0	112.4	D258 E259 L261 F324	D258-Q286 WeakPolarHBondContact OD1-CA 3.43Å; D258-Q286 VanDerWaalsContact OD1-CB 3.31Å; D258-Q286 WeakPolarHBondContact OD1-CB 3.27Å; D258-Q286 PolarHBondContact OD1-N 2.82Å; E259-Q286 VanDerWaalsContact O-CG 3.24Å; E259-Q286 WeakPolarHBondContact O-CG 3.45Å; E259-Q286 PolarHBondContact O-N 2.83Å; L261-Q286 HydrophobicContact CD1-CB 4.28Å; L261-Q286 HydrophobicContact CD1-CG 3.59Å; L261-Q286 HydrophobicContact CD2-CG 3.65Å; L261-Q286 HydrophobicContact CG-CG 3.53Å; Q286-F324 WeakPolarHBondContact O-CE2 3.33Å
287	A	74.8	Confident	89.4	Confident	80 Å²	80	19.7 Å²	19.7	66%	0.661	12%	0.119	S	C	*	.	S	Bend	trans	-68.7	-52.3	-173.8	0	0	0	0	0	112.9	D258 S285	D258-A287 PolarHBondContact OD1-N 3Å; S285-A287 VanDerWaalsContact C-N 3.33Å; S285-A287 PolarHBondContact OG-N 3.08Å
288	V	80.2	Confident	89.2	Confident	72 Å²	72	20 Å²	20	44%	0.436	12%	0.121	S	C	.	.			trans	-147.8	117	176.4	-178.4	0	0	0	0	109.8	S290 H319	V288-S290 PolarHBondContact O-N 3.45Å; V288-H319 HydrophobicContact CG1-CB 3.77Å
289	C	88	Confident	88.8	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.014	15%	0.149	C	C	.	.			trans	-88.7	74.7	179.5	-156.7	0	0	0	0	112.2	C283 R291 F309 H319 L320	C283-C289 HydrophobicContact CB-CB 4.22Å; C283-C289 WeakPolarHBondContact CB-SG 3.16Å; C283-C289 WeakPolarHBondContact SG-CA 3.38Å; C283-C289 WeakPolarHBondContact SG-CB 3.24Å; C283-C289 CovalentContact SG-SG 2.01Å; C283-C289 PolarHBondContact SG-SG 3.49Å; C289-R291 VanDerWaalsContact C-N 3.26Å; C289-R291 PolarHBondContact O-N 2.79Å; C289-R291 PolarHBondContact SG-O 3.42Å; C289-R291 VanDerWaalsContact SG-O 3.38Å; C289-F309 WeakPolarHBondContact O-CD2 3.48Å; C289-F309 VanDerWaalsContact O-CE2 3.26Å; C289-F309 WeakPolarHBondContact O-CE2 3.1Å; C289-H319 CarbonylContact O-C 3.57Å; C289-H319 WeakPolarHBondContact O-CA 3.13Å; C289-H319 VanDerWaalsContact O-CB 3.26Å; C289-H319 WeakPolarHBondContact O-CB 3.25Å; C289-L320 HydrophobicContact CB-CB 3.5Å; C289-L320 HydrophobicContact CB-CD2 4.42Å; C289-L320 PolarHBondContact O-N 2.72Å
290	S	88.9	Confident	88.5	Confident	58 Å²	58	26.4 Å²	26.4	41%	0.406	16%	0.161	S	C	.	.			trans	-78.8	-7.9	-178.4	63.7	0	0	0	0	114.5	V288 F309	V288-S290 PolarHBondContact O-N 3.45Å; S290-F309 VanDerWaalsContact C-CD2 3.46Å; S290-F309 WeakPolarHBondContact O-CD2 3.22Å; S290-F309 PolarHBondContact O-N 2.87Å
291	R	89.7	Confident	88.3	Confident	53 Å²	53	32.7 Å²	32.7	20%	0.2	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	158.9	176.6	70.4	178.9	-174.1	150.6	18.1	109.9	P284 C289 D293 V307	P284-R291 HydrophobicContact CG-CG 4.36Å; C289-R291 VanDerWaalsContact C-N 3.26Å; C289-R291 PolarHBondContact O-N 2.79Å; C289-R291 PolarHBondContact SG-O 3.42Å; C289-R291 VanDerWaalsContact SG-O 3.38Å; R291-D293 IonicContact CZ-OD1 2.6Å; R291-D293 IonicContact NH2-OD1 3.42Å; R291-D293 IonicContact NH2-OD2 3.65Å; R291-D293 PolarHBondContact NH2-OD2 2.82Å; R291-V307 CarbonylContact C-O 3.6Å; R291-V307 VanDerWaalsContact CA-O 3.25Å; R291-V307 WeakPolarHBondContact CA-O 3.38Å; R291-V307 WeakPolarHBondContact CB-O 3.41Å
292	L	92.2	Very high	88.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.2	175.1	-162.3	63.9	0	0	0	109.4	A281 L294 V307 F309 F329 V331 I346	A281-L292 HydrophobicContact CB-CD1 4.1Å; A281-L292 HydrophobicContact CB-CD2 4.04Å; A281-L292 HydrophobicContact CB-CG 4.2Å; L292-L294 HydrophobicContact CD2-CD2 3.57Å; L292-L294 HydrophobicContact CD2-CG 4.48Å; L292-L294 HydrophobicContact CG-CD2 3.82Å; L292-V307 HydrophobicContact CB-CB 4.41Å; L292-V307 PolarHBondContact N-O 3.43Å; L292-V307 PolarHBondContact O-N 2.96Å; L292-F309 HydrophobicContact CB-CE1 4.13Å; L292-F309 HydrophobicContact CB-CZ 3.73Å; L292-F309 HydrophobicContact CD2-CZ 4.5Å; L292-F329 HydrophobicContact CD1-CE2 4.08Å; L292-F329 HydrophobicContact CD1-CZ 4.25Å; L292-V331 HydrophobicContact CD2-CG2 4.16Å; L292-I346 HydrophobicContact CD2-CD1 4Å
293	D	91.7	Very high	88.3	Confident	6 Å²	6	36.5 Å²	36.5	3%	0.032	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	112.5	169.5	-72.9	-22.5	0	0	0	107.4	V282 P284 R291 Y295 W304	V282-D293 HydrophobicContact CB-CB 4.39Å; V282-D293 PolarHBondContact N-O 2.8Å; V282-D293 PolarHBondContact O-N 3.48Å; P284-D293 WeakPolarHBondContact CG-OD2 3.28Å; R291-D293 IonicContact CZ-OD1 2.6Å; R291-D293 IonicContact NH2-OD1 3.42Å; R291-D293 IonicContact NH2-OD2 3.65Å; R291-D293 PolarHBondContact NH2-OD2 2.82Å; D293-Y295 HydrophobicContact CB-CE2 4.06Å; D293-W304 PolarHBondContact OD1-NE1 2.71Å
294	L	94.5	Very high	88.4	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.7	176.6	-60.1	-178	0	0	0	109	L279 A281 L292 W304 Q305 V307 L344 F378	L279-L294 HydrophobicContact CD2-CD2 4.25Å; A281-L294 HydrophobicContact CB-CD2 3.88Å; L292-L294 HydrophobicContact CD2-CD2 3.57Å; L292-L294 HydrophobicContact CD2-CG 4.48Å; L292-L294 HydrophobicContact CG-CD2 3.82Å; L294-W304 WeakPolarHBondContact O-CA 3.24Å; L294-Q305 HydrophobicContact CB-CB 4.48Å; L294-Q305 PolarHBondContact N-O 3.01Å; L294-Q305 PolarHBondContact O-N 2.85Å; L294-V307 HydrophobicContact CD1-CG2 3.63Å; L294-V307 HydrophobicContact CG-CG2 4.08Å; L294-L344 HydrophobicContact CD1-CD1 4.36Å; L294-F378 HydrophobicContact CD1-CB 3.81Å; L294-F378 HydrophobicContact CD1-CD2 3.49Å; L294-F378 VanDerWaalsContact CD1-CD2 3.49Å; L294-F378 HydrophobicContact CD1-CE2 4.35Å; L294-F378 HydrophobicContact CD1-CG 3.86Å
295	Y	94.7	Very high	88.8	Confident	7 Å²	7	38 Å²	38	3%	0.027	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.3	169.6	-66	-92.7	0	0	0	107.8	V218 I244 L279 V280 V282 D293 W302 H303 W304	V218-Y295 HydrophobicContact CG1-CE2 4.46Å; I244-Y295 HydrophobicContact CD1-CG 4.3Å; I244-Y295 HydrophobicContact CG2-CD1 3.25Å; I244-Y295 HydrophobicContact CG2-CD2 4.07Å; I244-Y295 HydrophobicContact CG2-CE1 3.54Å; I244-Y295 HydrophobicContact CG2-CE2 4.34Å; I244-Y295 HydrophobicContact CG2-CG 3.53Å; L279-Y295 CarbonylContact C-O 3.53Å; L279-Y295 WeakPolarHBondContact CA-O 3.08Å; V280-Y295 PolarHBondContact N-O 2.8Å; V280-Y295 PolarHBondContact O-N 2.82Å; V282-Y295 HydrophobicContact CB-CD2 4.36Å; V282-Y295 HydrophobicContact CB-CE2 4.12Å; V282-Y295 HydrophobicContact CG2-CD2 3.73Å; V282-Y295 HydrophobicContact CG2-CE2 3.83Å; D293-Y295 HydrophobicContact CB-CE2 4.06Å; Y295-W302 WeakPolarHBondContact O-CZ3 3.49Å; Y295-H303 CarbonylContact C-O 3.53Å; Y295-H303 WeakPolarHBondContact CA-O 3.49Å; Y295-W304 HydrophobicContact CD1-CB 4.18Å; Y295-W304 HydrophobicContact CE1-CB 4.14Å; Y295-W304 AromaticContact CE1-CD1 3.73Å; Y295-W304 HydrophobicContact CE1-CG 4.23Å; Y295-W304 AromaticContact CZ-CD1 3.68Å
296	L	95.5	Very high	89.5	Confident	10 Å²	10	37.1 Å²	37.1	5%	0.052	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116.6	-177.2	176.5	67.5	0	0	0	108.7	F270 D277 A278 L279 V298 H303	F270-L296 HydrophobicContact CB-CD1 4.05Å; F270-L296 HydrophobicContact CD2-CD1 3.37Å; F270-L296 HydrophobicContact CE2-CD1 4.08Å; F270-L296 HydrophobicContact CG-CD1 3.95Å; D277-L296 HydrophobicContact CB-CD1 4.1Å; A278-L296 CarbonylContact O-C 3.57Å; A278-L296 WeakPolarHBondContact O-CA 2.93Å; L279-L296 HydrophobicContact CB-CD1 4.2Å; L279-L296 HydrophobicContact CD1-CD1 4.37Å; L296-V298 HydrophobicContact CD1-CG2 4.39Å; L296-V298 HydrophobicContact CD2-CG2 3.9Å; L296-V298 HydrophobicContact CG-CG2 3.75Å; L296-H303 PolarHBondContact N-O 2.78Å; L296-H303 PolarHBondContact O-N 2.85Å
297	W	95.3	Very high	90.6	Very high	14 Å²	14	34.3 Å²	34.3	5%	0.053	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.2	173.5	-179.5	86.6	0	0	0	109.4	I197 I240 F241 I276 D277 A278 G300 Q301 W302	I197-W297 HydrophobicContact CD1-CZ3 4.18Å; I197-W297 HydrophobicContact CG2-CH2 4.33Å; I240-W297 WeakPolarHBondContact O-CZ2 3.39Å; F241-W297 AromaticContact CD2-CD2 3.65Å; F241-W297 HydrophobicContact CD2-CD2 3.65Å; F241-W297 AromaticContact CD2-CE2 3.45Å; F241-W297 VanDerWaalsContact CD2-CE2 3.45Å; F241-W297 HydrophobicContact CD2-CE3 4.12Å; F241-W297 HydrophobicContact CD2-CG 4.03Å; F241-W297 HydrophobicContact CD2-CH2 4.22Å; F241-W297 AromaticContact CD2-CZ2 3.77Å; F241-W297 HydrophobicContact CD2-CZ2 3.77Å; F241-W297 HydrophobicContact CD2-CZ3 4.37Å; F241-W297 AromaticContact CD2-NE1 3.69Å; F241-W297 HydrophobicContact CE2-CB 4.13Å; F241-W297 AromaticContact CE2-CD2 3.46Å; F241-W297 HydrophobicContact CE2-CD2 3.46Å; F241-W297 VanDerWaalsContact CE2-CD2 3.46Å; F241-W297 AromaticContact CE2-CE2 3.81Å; F241-W297 AromaticContact CE2-CE3 3.76Å; F241-W297 HydrophobicContact CE2-CE3 3.76Å; F241-W297 AromaticContact CE2-CG 3.63Å; F241-W297 HydrophobicContact CE2-CG 3.63Å; F241-W297 HydrophobicContact CE2-CZ2 4.39Å; F241-W297 HydrophobicContact CE2-CZ3 4.33Å; I276-W297 WeakPolarHBondContact O-CZ3 3.46Å; D277-W297 WeakPolarHBondContact CA-O 2.97Å; D277-W297 VanDerWaalsContact CB-O 3.23Å; D277-W297 WeakPolarHBondContact CB-O 3.36Å; A278-W297 HydrophobicContact CB-CB 4.1Å; A278-W297 HydrophobicContact CB-CE3 4.45Å; A278-W297 PolarHBondContact N-O 2.97Å; A278-W297 VanDerWaalsContact N-O 3.16Å; A278-W297 PolarHBondContact O-N 2.97Å; W297-G300 VanDerWaalsContact NE1-C 3.29Å; W297-G300 VanDerWaalsContact NE1-CA 3.27Å; W297-Q301 VanDerWaalsContact CA-O 3.3Å; W297-Q301 WeakPolarHBondContact CA-O 3.19Å; W297-W302 HydrophobicContact CB-CD2 3.71Å; W297-W302 HydrophobicContact CB-CE3 3.56Å; W297-W302 HydrophobicContact CB-CH2 3.65Å; W297-W302 HydrophobicContact CB-CZ2 3.81Å; W297-W302 HydrophobicContact CB-CZ3 3.53Å; W297-W302 AromaticContact CD1-CE2 3.84Å; W297-W302 AromaticContact CD1-NE1 3.83Å; W297-W302 HydrophobicContact CG-CD2 4.35Å; W297-W302 HydrophobicContact CG-CZ2 4.27Å; W297-W302 VanDerWaalsContact N-CE3 3.34Å
298	V	93.5	Very high	91.4	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.036	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.1	176.1	-175.3	0	0	0	0	107.3	N271 D277 L296 G300 Q301	N271-V298 WeakPolarHBondContact ND2-CG1 3.1Å; D277-V298 WeakPolarHBondContact OD1-CA 3.35Å; L296-V298 HydrophobicContact CD1-CG2 4.39Å; L296-V298 HydrophobicContact CD2-CG2 3.9Å; L296-V298 HydrophobicContact CG-CG2 3.75Å; V298-G300 PolarHBondContact O-N 2.8Å; V298-Q301 PolarHBondContact N-O 2.65Å; V298-Q301 PolarHBondContact O-N 2.96Å
299	D	88.7	Confident	91.9	Very high	111 Å²	111	31.1 Å²	31.1	59%	0.594	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	48	40.5	173.4	-68.8	-42	0	0	0	114.7
300	G	89.7	Confident	91.8	Very high	26 Å²	26	32.2 Å²	32.2	27%	0.268	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	2.6	178.8	0	0	0	0	0	115.5	W297 V298	W297-G300 VanDerWaalsContact NE1-C 3.29Å; W297-G300 VanDerWaalsContact NE1-CA 3.27Å; V298-G300 PolarHBondContact O-N 2.8Å
301	Q	91.9	Very high	91	Very high	132 Å²	132	35.5 Å²	35.5	62%	0.617	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.7	-177.7	-61.4	-169	4.2	0	0	113.3	W297 V298 H303	W297-Q301 VanDerWaalsContact CA-O 3.3Å; W297-Q301 WeakPolarHBondContact CA-O 3.19Å; V298-Q301 PolarHBondContact N-O 2.65Å; V298-Q301 PolarHBondContact O-N 2.96Å; Q301-H303 PolarHBondContact O-CD2 2.92Å
302	W	93.4	Very high	89.9	Confident	45 Å²	45	37 Å²	37	17%	0.17	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.2	172.6	-70	102.8	0	0	0	111.5	F241 P242 I244 A278 V280 Y295 W297	F241-W302 AromaticContact CE1-CZ2 3.99Å; F241-W302 HydrophobicContact CE1-CZ2 3.99Å; F241-W302 HydrophobicContact CE2-CH2 4.44Å; F241-W302 HydrophobicContact CE2-CZ2 4.03Å; F241-W302 AromaticContact CZ-CH2 3.89Å; F241-W302 HydrophobicContact CZ-CH2 3.89Å; F241-W302 AromaticContact CZ-CZ2 3.56Å; F241-W302 HydrophobicContact CZ-CZ2 3.56Å; P242-W302 PolarHBondContact O-NE1 2.75Å; I244-W302 HydrophobicContact CD1-CD2 4.1Å; I244-W302 HydrophobicContact CD1-CE3 3.88Å; I244-W302 HydrophobicContact CD1-CH2 3.68Å; I244-W302 HydrophobicContact CD1-CZ2 3.89Å; I244-W302 HydrophobicContact CD1-CZ3 3.67Å; I244-W302 HydrophobicContact CG1-CD2 3.67Å; I244-W302 VanDerWaalsContact CG1-CE2 3.48Å; I244-W302 HydrophobicContact CG1-CE3 3.99Å; I244-W302 HydrophobicContact CG1-CG 4.23Å; I244-W302 HydrophobicContact CG1-CH2 4.02Å; I244-W302 HydrophobicContact CG1-CZ2 3.67Å; I244-W302 HydrophobicContact CG1-CZ3 4.15Å; A278-W302 HydrophobicContact CB-CH2 4.11Å; V280-W302 HydrophobicContact CG2-CH2 3.94Å; V280-W302 HydrophobicContact CG2-CZ3 4.2Å; Y295-W302 WeakPolarHBondContact O-CZ3 3.49Å; W297-W302 HydrophobicContact CB-CD2 3.71Å; W297-W302 HydrophobicContact CB-CE3 3.56Å; W297-W302 HydrophobicContact CB-CH2 3.65Å; W297-W302 HydrophobicContact CB-CZ2 3.81Å; W297-W302 HydrophobicContact CB-CZ3 3.53Å; W297-W302 AromaticContact CD1-CE2 3.84Å; W297-W302 AromaticContact CD1-NE1 3.83Å; W297-W302 HydrophobicContact CG-CD2 4.35Å; W297-W302 HydrophobicContact CG-CZ2 4.27Å; W297-W302 VanDerWaalsContact N-CE3 3.34Å
303	H	92.5	Very high	88.9	Confident	37 Å²	37	44.6 Å²	44.6	17%	0.171	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	143.2	170.3	-60	-91	0	0	0	110	Y295 L296 Q301 E373	Y295-H303 CarbonylContact C-O 3.53Å; Y295-H303 WeakPolarHBondContact CA-O 3.49Å; L296-H303 PolarHBondContact N-O 2.78Å; L296-H303 PolarHBondContact O-N 2.85Å; Q301-H303 PolarHBondContact O-CD2 2.92Å; H303-E373 HydrophobicContact CB-CB 4.48Å; H303-E373 PolarHBondContact ND1-O 3.28Å
304	W	91.4	Very high	88.1	Confident	24 Å²	24	48.1 Å²	48.1	9%	0.091	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.7	-179.3	167	80.1	0	0	0	111.9	K247 D293 L294 Y295 A306	K247-W304 HydrophobicContact CD-CB 4.29Å; K247-W304 HydrophobicContact CD-CD2 3.84Å; K247-W304 HydrophobicContact CD-CE3 3.42Å; K247-W304 VanDerWaalsContact CD-CE3 3.42Å; K247-W304 HydrophobicContact CD-CG 4.26Å; K247-W304 HydrophobicContact CD-CZ3 3.98Å; D293-W304 PolarHBondContact OD1-NE1 2.71Å; L294-W304 WeakPolarHBondContact O-CA 3.24Å; Y295-W304 HydrophobicContact CD1-CB 4.18Å; Y295-W304 HydrophobicContact CE1-CB 4.14Å; Y295-W304 AromaticContact CE1-CD1 3.73Å; Y295-W304 HydrophobicContact CE1-CG 4.23Å; Y295-W304 AromaticContact CZ-CD1 3.68Å; W304-A306 HydrophobicContact CH2-CB 4.07Å; W304-A306 HydrophobicContact CZ2-CB 3.72Å
305	Q	92.1	Very high	87.1	Confident	21 Å²	21	54.3 Å²	54.3	10%	0.098	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	135.8	170.6	-170.6	-163.8	-5	0	0	111.8	L294 Q371 C372 F378	L294-Q305 HydrophobicContact CB-CB 4.48Å; L294-Q305 PolarHBondContact N-O 3.01Å; L294-Q305 PolarHBondContact O-N 2.85Å; Q305-Q371 VanDerWaalsContact CA-O 3.27Å; Q305-Q371 WeakPolarHBondContact CA-O 3.37Å; Q305-Q371 WeakPolarHBondContact CG-O 3.47Å; Q305-C372 HydrophobicContact CG-CB 4.27Å; Q305-F378 PolarHBondContact NE2-O 2.95Å
306	A	91	Very high	86.5	Confident	8 Å²	8	57.4 Å²	57.4	7%	0.066	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.2	166.8	0	0	0	0	0	111.1	W304 Q371	W304-A306 HydrophobicContact CH2-CB 4.07Å; W304-A306 HydrophobicContact CZ2-CB 3.72Å; A306-Q371 PolarHBondContact O-OE1 3.07Å
307	V	92.6	Very high	86.1	Confident	6 Å²	6	59.1 Å²	59.1	4%	0.036	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	110.6	174.3	178.8	0	0	0	0	108.8	R291 L292 L294 F309 L360 F378	R291-V307 CarbonylContact C-O 3.6Å; R291-V307 VanDerWaalsContact CA-O 3.25Å; R291-V307 WeakPolarHBondContact CA-O 3.38Å; R291-V307 WeakPolarHBondContact CB-O 3.41Å; L292-V307 HydrophobicContact CB-CB 4.41Å; L292-V307 PolarHBondContact N-O 3.43Å; L292-V307 PolarHBondContact O-N 2.96Å; L294-V307 HydrophobicContact CD1-CG2 3.63Å; L294-V307 HydrophobicContact CG-CG2 4.08Å; V307-F309 HydrophobicContact CG1-CD1 4.4Å; V307-F309 HydrophobicContact CG1-CE1 4.3Å; V307-L360 HydrophobicContact CG1-CD2 3.5Å; V307-L360 VanDerWaalsContact CG1-CD2 3.5Å; V307-F378 HydrophobicContact CG2-CB 4.43Å
308	N	91.5	Very high	86	Confident	79 Å²	79	59.4 Å²	59.4	42%	0.422	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	133.6	175	-60.8	-60.9	0	0	0	109.8
309	F	92.1	Very high	86	Confident	6 Å²	6	60.8 Å²	60.8	3%	0.026	35%	0.345	C	S	.	.	S	Bend	trans	-85.1	-10.2	-176.8	-58.4	-42.5	0	0	0	114.7	C289 S290 L292 V307 W318 L320 I346 L348 L380	C289-F309 WeakPolarHBondContact O-CD2 3.48Å; C289-F309 VanDerWaalsContact O-CE2 3.26Å; C289-F309 WeakPolarHBondContact O-CE2 3.1Å; S290-F309 VanDerWaalsContact C-CD2 3.46Å; S290-F309 WeakPolarHBondContact O-CD2 3.22Å; S290-F309 PolarHBondContact O-N 2.87Å; L292-F309 HydrophobicContact CB-CE1 4.13Å; L292-F309 HydrophobicContact CB-CZ 3.73Å; L292-F309 HydrophobicContact CD2-CZ 4.5Å; V307-F309 HydrophobicContact CG1-CD1 4.4Å; V307-F309 HydrophobicContact CG1-CE1 4.3Å; F309-W318 HydrophobicContact CB-CB 3.78Å; F309-L320 HydrophobicContact CE2-CB 4.15Å; F309-I346 HydrophobicContact CE1-CD1 3.91Å; F309-I346 HydrophobicContact CZ-CD1 3.89Å; F309-L348 HydrophobicContact CB-CD1 4.03Å; F309-L348 HydrophobicContact CD1-CD1 3.89Å; F309-L348 HydrophobicContact CD1-CD2 3.9Å; F309-L348 HydrophobicContact CD2-CD2 3.91Å; F309-L348 HydrophobicContact CE1-CD2 3.84Å; F309-L348 HydrophobicContact CE2-CD2 3.83Å; F309-L348 HydrophobicContact CG-CD1 3.98Å; F309-L348 HydrophobicContact CG-CD2 3.92Å; F309-L348 HydrophobicContact CZ-CD2 3.77Å; F309-L380 HydrophobicContact CB-CD2 4.38Å; F309-L380 HydrophobicContact CD1-CD2 4.26Å
310	S	84.9	Confident	86.1	Confident	26 Å²	26	55.9 Å²	55.9	18%	0.182	32%	0.319	C	S	.	.	S	Bend	trans	-146.7	147.9	-179.2	51.1	0	0	0	0	109.5	P317	S310-P317 WeakPolarHBondContact OG-CB 3.33Å
311	N	73.4	Confident	86.1	Confident	126 Å²	126	57.2 Å²	57.2	67%	0.674	32%	0.317	S	S	*	.			trans	-75.6	141.7	165	-67.5	-13.7	0	0	0	107.7	D313 E314	N311-D313 PolarHBondContact O-N 3.13Å; N311-E314 PolarHBondContact O-N 3.21Å; N311-E314 VanDerWaalsContact O-N 3.08Å
312	G	66.1	Low	85.2	Confident	86 Å²	86	52.1 Å²	52.1	89%	0.887	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-5.8	-172.1	0	0	0	0	0	116.4
313	D	70.3	Confident	84	Confident	159 Å²	159	55.6 Å²	55.6	85%	0.85	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-7.9	-179.8	-57.9	-42.5	0	0	0	114.1	N311	N311-D313 PolarHBondContact O-N 3.13Å
314	E	75	Confident	82.5	Confident	79 Å²	79	57 Å²	57	37%	0.369	33%	0.326	S	S	.	.			trans	-75.5	128.5	178.7	-77.8	-167.3	-155.4	0	0	112.1	N311 E316 K350	N311-E314 PolarHBondContact O-N 3.21Å; N311-E314 VanDerWaalsContact O-N 3.08Å; E314-E316 PolarHBondContact O-N 2.89Å; E314-K350 IonicContact OE2-NZ 2.61Å; E314-K350 PolarHBondContact OE2-NZ 3.24Å
315	P	74	Confident	81	Confident	133 Å²	133	60.1 Å²	60.1	86%	0.864	36%	0.356	S	S	*	.	S	Bend	trans	-65.1	-25.4	-178.7	23.3	-32.1	0	0	0	113.4
316	E	81.4	Confident	79.8	Confident	72 Å²	72	64.2 Å²	64.2	34%	0.336	38%	0.376	S	S	.	.	S	Bend	trans	-130.7	94.2	175.4	-68.4	-173.9	163.7	0	0	109.9	E314 K350 N352	E314-E316 PolarHBondContact O-N 2.89Å; E316-K350 HydrophobicContact CB-CD 4.19Å; E316-K350 WeakPolarHBondContact O-CD 3.31Å; E316-K350 WeakPolarHBondContact O-CE 3.49Å; E316-K350 PolarHBondContact O-NZ 3.13Å; E316-N352 VanDerWaalsContact OE2-CG 3.26Å; E316-N352 PolarHBondContact OE2-ND2 3.38Å
317	P	88.3	Confident	79.1	Confident	45 Å²	45	65.9 Å²	65.9	29%	0.292	38%	0.38	S	S	.	.			trans	-70	147.5	-178.2	28.8	-35.3	0	0	0	111.4	S310	S310-P317 WeakPolarHBondContact OG-CB 3.33Å
318	W	93.2	Very high	78.6	Confident	21 Å²	21	66.6 Å²	66.6	8%	0.08	39%	0.385	C	S	.	.			trans	-68.6	144.6	168.1	-68.4	107.1	0	0	0	110.7	F309 L348 K350 A356 F358	F309-W318 HydrophobicContact CB-CB 3.78Å; W318-L348 HydrophobicContact CB-CB 4.19Å; W318-L348 HydrophobicContact CB-CD1 4.03Å; W318-L348 HydrophobicContact CD2-CB 4.17Å; W318-L348 HydrophobicContact CE3-CB 3.6Å; W318-L348 HydrophobicContact CG-CB 4.45Å; W318-L348 HydrophobicContact CG-CD1 4.38Å; W318-L348 HydrophobicContact CZ3-CB 4.31Å; W318-L348 WeakPolarHBondContact CZ3-O 3.24Å; W318-K350 HydrophobicContact CD2-CD 4.3Å; W318-K350 HydrophobicContact CD2-CG 3.71Å; W318-K350 HydrophobicContact CE3-CG 3.56Å; W318-K350 HydrophobicContact CG-CG 4.37Å; W318-K350 HydrophobicContact CH2-CD 4.44Å; W318-K350 HydrophobicContact CH2-CG 4.08Å; W318-K350 HydrophobicContact CZ2-CD 4.22Å; W318-K350 VanDerWaalsContact CZ2-CE 3.44Å; W318-K350 HydrophobicContact CZ2-CG 4.21Å; W318-K350 HydrophobicContact CZ3-CG 3.76Å; W318-K350 VanDerWaalsContact NE1-CE 3.27Å; W318-A356 HydrophobicContact CH2-CB 3.7Å; W318-A356 HydrophobicContact CZ2-CB 4.44Å; W318-A356 HydrophobicContact CZ3-CB 4.12Å; W318-F358 HydrophobicContact CD2-CE2 4.04Å; W318-F358 HydrophobicContact CD2-CZ 4.13Å; W318-F358 AromaticContact CE2-CE2 3.92Å; W318-F358 AromaticContact CE2-CZ 3.6Å; W318-F358 HydrophobicContact CE3-CE2 4.16Å; W318-F358 HydrophobicContact CH2-CE2 4.11Å; W318-F358 HydrophobicContact CH2-CZ 4.29Å; W318-F358 AromaticContact CZ2-CE2 3.98Å; W318-F358 HydrophobicContact CZ2-CE2 3.98Å; W318-F358 AromaticContact CZ2-CZ 3.71Å; W318-F358 HydrophobicContact CZ2-CZ 3.71Å; W318-F358 HydrophobicContact CZ3-CE2 4.19Å; W318-F358 AromaticContact NE1-CZ 3.8Å
319	H	92	Very high	78.4	Confident	34 Å²	34	63.8 Å²	63.8	16%	0.157	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	160.1	169	59.9	-78.7	0	0	0	110.2	V288 C289 K321 L348 E349	V288-H319 HydrophobicContact CG1-CB 3.77Å; C289-H319 CarbonylContact O-C 3.57Å; C289-H319 WeakPolarHBondContact O-CA 3.13Å; C289-H319 VanDerWaalsContact O-CB 3.26Å; C289-H319 WeakPolarHBondContact O-CB 3.25Å; H319-K321 PolarHBondContact O-N 2.99Å; H319-L348 CarbonylContact O-C 3.51Å; H319-L348 WeakPolarHBondContact O-CA 3.25Å; H319-E349 PolarHBondContact CE1-O 3.5Å; H319-E349 PolarHBondContact N-O 2.73Å; H319-E349 PolarHBondContact ND1-O 2.78Å; H319-E349 IonicContact NE2-OE2 2.8Å; H319-E349 PolarHBondContact O-N 2.74Å
320	L	92.1	Very high	78.2	Confident	9 Å²	9	66 Å²	66	5%	0.047	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	129	178	-173.1	68.1	0	0	0	110.5	C289 F309 A322 F324 F329 I346	C289-L320 HydrophobicContact CB-CB 3.5Å; C289-L320 HydrophobicContact CB-CD2 4.42Å; C289-L320 PolarHBondContact O-N 2.72Å; F309-L320 HydrophobicContact CE2-CB 4.15Å; L320-A322 HydrophobicContact CD2-CB 3.95Å; L320-A322 HydrophobicContact CG-CB 4.06Å; L320-A322 PolarHBondContact O-N 3Å; L320-F324 HydrophobicContact CD2-CE1 4.38Å; L320-F329 HydrophobicContact CD2-CB 4.35Å; L320-F329 HydrophobicContact CD2-CD1 4.28Å; L320-F329 HydrophobicContact CD2-CD2 3.64Å; L320-F329 HydrophobicContact CD2-CE2 3.92Å; L320-F329 HydrophobicContact CD2-CG 3.83Å; L320-F329 HydrophobicContact CD2-CZ 4.34Å; L320-I346 HydrophobicContact CD1-CD1 3.66Å; L320-I346 HydrophobicContact CD1-CG1 3.78Å
321	K	88.1	Confident	78.7	Confident	53 Å²	53	64.9 Å²	64.9	23%	0.23	38%	0.38	C	S	.	.			trans	-79.9	104.3	166.8	-179	68.9	-164.6	164.7	0	108.5	H319 V347 E349 R355	H319-K321 PolarHBondContact O-N 2.99Å; K321-V347 HydrophobicContact CB-CB 4.16Å; K321-V347 HydrophobicContact CB-CG1 3.71Å; K321-V347 WeakPolarHBondContact CB-O 3.42Å; K321-V347 HydrophobicContact CG-CG1 4.01Å; K321-V347 PolarHBondContact N-O 3.3Å; K321-E349 HydrophobicContact CB-CB 4.21Å; K321-E349 HydrophobicContact CD-CB 3.91Å; K321-E349 HydrophobicContact CD-CG 4.29Å; K321-E349 WeakPolarHBondContact CD-OE2 3.04Å; K321-E349 VanDerWaalsContact NZ-CD 3.28Å; K321-E349 IonicContact NZ-OE1 3.94Å; K321-E349 PolarHBondContact NZ-OE1 2.99Å; K321-E349 VanDerWaalsContact NZ-OE1 3.09Å; K321-E349 IonicContact NZ-OE2 3.82Å; K321-E349 PolarHBondContact NZ-OE2 2.6Å; K321-R355 HydrophobicContact CD-CG 4.45Å; K321-R355 VanDerWaalsContact CE-NE 3.34Å; K321-R355 VanDerWaalsContact NZ-CZ 3.32Å
322	A	73.8	Confident	79.8	Confident	25 Å²	25	59.8 Å²	59.8	21%	0.207	35%	0.352	C	S	.	.			trans	-145.4	136.6	175.4	0	0	0	0	0	111.5	L320 F324 F329	L320-A322 HydrophobicContact CD2-CB 3.95Å; L320-A322 HydrophobicContact CG-CB 4.06Å; L320-A322 PolarHBondContact O-N 3Å; A322-F324 HydrophobicContact CB-CD1 3.55Å; A322-F324 HydrophobicContact CB-CE1 3.06Å; A322-F324 HydrophobicContact CB-CE2 4.35Å; A322-F324 HydrophobicContact CB-CG 4.4Å; A322-F324 HydrophobicContact CB-CZ 3.54Å; A322-F329 HydrophobicContact CB-CB 3.75Å
323	N	68.6	Low	81.3	Confident	118 Å²	118	56.6 Å²	56.6	63%	0.631	32%	0.317	S	S	*	.			trans	-97.7	90.4	169.4	-173.1	6	0	0	0	108	A325	N323-A325 PolarHBondContact O-N 3.05Å; N323-A325 VanDerWaalsContact O-N 3.08Å
324	F	59.7	Low	82.5	Confident	67 Å²	67	49.2 Å²	49.2	29%	0.294	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-4.4	-166.3	-54.1	-62.9	0	0	0	115.4	L261 Q286 L320 A322 F329	L261-F324 HydrophobicContact CD1-CB 4.25Å; L261-F324 HydrophobicContact CD1-CD1 3.17Å; L261-F324 HydrophobicContact CD1-CD2 3.96Å; L261-F324 HydrophobicContact CD1-CE1 3.21Å; L261-F324 HydrophobicContact CD1-CE2 4.02Å; L261-F324 HydrophobicContact CD1-CG 3.54Å; L261-F324 HydrophobicContact CD1-CZ 3.65Å; L261-F324 HydrophobicContact CD2-CB 4.23Å; L261-F324 HydrophobicContact CD2-CD1 4.26Å; L261-F324 HydrophobicContact CD2-CG 4.4Å; L261-F324 HydrophobicContact CG-CD1 4.22Å; L261-F324 HydrophobicContact CG-CE1 4.49Å; Q286-F324 WeakPolarHBondContact O-CE2 3.33Å; L320-F324 HydrophobicContact CD2-CE1 4.38Å; A322-F324 HydrophobicContact CB-CD1 3.55Å; A322-F324 HydrophobicContact CB-CE1 3.06Å; A322-F324 HydrophobicContact CB-CE2 4.35Å; A322-F324 HydrophobicContact CB-CG 4.4Å; A322-F324 HydrophobicContact CB-CZ 3.54Å; F324-F329 HydrophobicContact CE1-CD1 4.35Å
325	A	60.2	Low	83.4	Confident	89 Å²	89	45.8 Å²	45.8	74%	0.736	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-28.1	-171	0	0	0	0	0	114.7	N323	N323-A325 PolarHBondContact O-N 3.05Å; N323-A325 VanDerWaalsContact O-N 3.08Å
326	E	66.7	Low	84.3	Confident	107 Å²	107	39.8 Å²	39.8	50%	0.5	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-27.5	-164.1	-66.7	-177.6	-176.2	0	0	115.6
327	R	76.2	Confident	84.7	Confident	44 Å²	44	38.1 Å²	38.1	17%	0.166	22%	0.216	C	C	.	.	S	Bend	trans	-136.8	148.8	-179.7	-65	-176.5	-171.1	-161.4	-0.2	109.4	E33 Q86 F329	E33-R327 IonicContact OE1-NH1 2.72Å; Q86-R327 VanDerWaalsContact O-CZ 3.31Å; Q86-R327 PolarHBondContact O-NH1 3.07Å; Q86-R327 PolarHBondContact O-NH2 2.76Å; R327-F329 PolarHBondContact O-N 2.81Å
328	P	83.2	Confident	84.8	Confident	21 Å²	21	36 Å²	36	14%	0.136	20%	0.202	C	C	.	.			trans	-60.5	137.7	166.5	28	-28.8	0	0	0	107.3	P189 V191 A264 A330 H488	P189-P328 HydrophobicContact CB-CG 4.13Å; V191-P328 HydrophobicContact CG2-CB 4.38Å; V191-P328 HydrophobicContact CG2-CG 3.57Å; A264-P328 HydrophobicContact CB-CG 4.48Å; P328-A330 PolarHBondContact O-N 2.88Å; P328-H488 HydrophobicContact CG-CB 4.17Å
329	F	88	Confident	84.6	Confident	20 Å²	20	37.6 Å²	37.6	9%	0.088	21%	0.213	C	C	.	.			trans	-64.7	137.2	169.1	74.5	-92.5	0	0	0	107.8	L261 G263 A264 A281 C283 L292 L320 A322 F324 R327	L261-F329 HydrophobicContact CB-CD1 4.31Å; L261-F329 HydrophobicContact CB-CE1 3.84Å; L261-F329 WeakPolarHBondContact O-CE1 3.5Å; G263-F329 WeakPolarHBondContact CA-O 3.28Å; A264-F329 PolarHBondContact N-O 3.4Å; A264-F329 VanDerWaalsContact N-O 3.09Å; A281-F329 HydrophobicContact CB-CE2 3.95Å; A281-F329 HydrophobicContact CB-CZ 4.36Å; A281-F329 VanDerWaalsContact O-CZ 3.3Å; A281-F329 WeakPolarHBondContact O-CZ 3.25Å; C283-F329 HydrophobicContact CB-CE1 4.18Å; C283-F329 HydrophobicContact CB-CZ 4.26Å; L292-F329 HydrophobicContact CD1-CE2 4.08Å; L292-F329 HydrophobicContact CD1-CZ 4.25Å; L320-F329 HydrophobicContact CD2-CB 4.35Å; L320-F329 HydrophobicContact CD2-CD1 4.28Å; L320-F329 HydrophobicContact CD2-CD2 3.64Å; L320-F329 HydrophobicContact CD2-CE2 3.92Å; L320-F329 HydrophobicContact CD2-CG 3.83Å; L320-F329 HydrophobicContact CD2-CZ 4.34Å; A322-F329 HydrophobicContact CB-CB 3.75Å; F324-F329 HydrophobicContact CE1-CD1 4.35Å; R327-F329 PolarHBondContact O-N 2.81Å
330	A	87.6	Confident	84.6	Confident	51 Å²	51	36.8 Å²	36.8	42%	0.421	21%	0.213	S	C	.	.			trans	-115.9	126.4	-179.6	0	0	0	0	0	109	A264 P328	A264-A330 HydrophobicContact CB-CB 4.42Å; P328-A330 PolarHBondContact O-N 2.88Å
331	V	94	Very high	84.7	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.018	22%	0.216	C	C	.	.			trans	-87.1	151.6	154.5	-179.4	0	0	0	0	106	L266 A281 L292 L344 I346	L266-V331 HydrophobicContact CD1-CB 4.2Å; L266-V331 HydrophobicContact CD1-CG1 4.28Å; L266-V331 WeakPolarHBondContact CD1-O 3.43Å; L266-V331 WeakPolarHBondContact CD2-O 3.4Å; A281-V331 HydrophobicContact CB-CG2 3.98Å; L292-V331 HydrophobicContact CD2-CG2 4.16Å; V331-L344 HydrophobicContact CG1-CB 3.61Å; V331-L344 HydrophobicContact CG1-CD1 4Å; V331-L344 HydrophobicContact CG1-CD2 4.14Å; V331-L344 HydrophobicContact CG1-CG 4.13Å; V331-I346 HydrophobicContact CG2-CD1 4.35Å
332	R	96.3	Very high	85.1	Confident	20 Å²	20	35 Å²	35	8%	0.075	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.4	177.1	-44.1	-146.4	-161.1	-136.5	-3	110.6	L344 V345 E393 S395 R489 S490 L491	R332-L344 CarbonylContact O-C 3.58Å; R332-L344 VanDerWaalsContact O-CA 3.25Å; R332-L344 WeakPolarHBondContact O-CA 3.42Å; R332-V345 HydrophobicContact CB-CG1 3.87Å; R332-V345 PolarHBondContact N-O 2.78Å; R332-V345 PolarHBondContact O-N 2.84Å; R332-E393 IonicContact NH2-OE2 3.31Å; R332-E393 PolarHBondContact NH2-OE2 2.77Å; R332-S395 VanDerWaalsContact CD-CB 3.49Å; R332-R489 PolarHBondContact NH1-O 3.31Å; R332-R489 PolarHBondContact NH2-O 2.88Å; R332-R489 VanDerWaalsContact NH2-O 3.1Å; R332-S490 PolarHBondContact NH1-O 3.1Å; R332-L491 VanDerWaalsContact CZ-CD1 3.49Å; R332-L491 VanDerWaalsContact NH1-N 3.13Å
333	A	97.7	Very high	86.2	Confident	19 Å²	19	33.9 Å²	33.9	16%	0.157	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	151.9	-175	0	0	0	0	0	112.2	L266 E268 F270 D343 L344 F396	L266-A333 HydrophobicContact CD1-CB 4.26Å; E268-A333 HydrophobicContact CG-CB 3.64Å; F270-A333 HydrophobicContact CE1-CB 4.22Å; F270-A333 HydrophobicContact CZ-CB 4.28Å; A333-D343 CarbonylContact C-O 3.51Å; A333-D343 WeakPolarHBondContact CA-O 3.47Å; A333-L344 HydrophobicContact CB-CD2 3.71Å; A333-F396 VanDerWaalsContact C-CD2 3.48Å; A333-F396 WeakPolarHBondContact O-CD2 3.2Å
334	G	96.2	Very high	87.6	Confident	4 Å²	4	28.3 Å²	28.3	4%	0.041	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.7	143	177.3	0	0	0	0	0	110	F336 D343	G334-F336 VanDerWaalsContact C-N 3.33Å; G334-F336 PolarHBondContact O-N 3.09Å; G334-D343 PolarHBondContact N-O 3.11Å; G334-D343 CarbonylContact O-C 3.54Å; G334-D343 WeakPolarHBondContact O-CA 3.35Å; G334-D343 WeakPolarHBondContact O-CB 3.23Å; G334-D343 PolarHBondContact O-N 2.97Å
335	D	94.4	Very high	89.4	Confident	7 Å²	7	25.2 Å²	25.2	4%	0.037	15%	0.153	C	C	.	.			trans	-73.5	88.5	174.6	178	1.4	0	0	0	109.1	N337 S338 D339 G340 G499	D335-N337 PolarHBondContact OD1-OD1 3.49Å; D335-S338 WeakPolarHBondContact OD1-CA 3.49Å; D335-S338 PolarHBondContact OD1-N 2.91Å; D335-D339 PolarHBondContact OD1-N 2.87Å; D335-G340 VanDerWaalsContact OD2-CA 3.25Å; D335-G340 WeakPolarHBondContact OD2-CA 3.34Å; D335-G340 PolarHBondContact OD2-N 2.7Å; D335-G499 WeakPolarHBondContact OD2-CA 3.41Å; D335-G499 PolarHBondContact OD2-N 2.6Å; D335-G499 VanDerWaalsContact OD2-N 3.11Å
336	F	92.6	Very high	91.1	Very high	7 Å²	7	21.2 Å²	21.2	3%	0.031	12%	0.119	C	C	.	.	S	Bend	trans	-75.7	-42.1	-171	178.1	-114.1	0	0	0	110.6	G334 S338 D343 I359 L385 F396 L405 V407 S426 F428	G334-F336 VanDerWaalsContact C-N 3.33Å; G334-F336 PolarHBondContact O-N 3.09Å; F336-S338 VanDerWaalsContact C-N 3.32Å; F336-D343 HydrophobicContact CB-CB 4.25Å; F336-D343 WeakPolarHBondContact CB-OD2 3.21Å; F336-D343 PolarHBondContact N-OD2 3.08Å; F336-I359 HydrophobicContact CD1-CD1 4.17Å; F336-I359 HydrophobicContact CD1-CG1 3.97Å; F336-I359 HydrophobicContact CD1-CG2 4.26Å; F336-I359 HydrophobicContact CE1-CD1 4.38Å; F336-I359 HydrophobicContact CE1-CG1 3.98Å; F336-I359 HydrophobicContact CG-CD1 4.31Å; F336-L385 HydrophobicContact CZ-CD1 4.04Å; F336-L385 HydrophobicContact CZ-CD2 4.27Å; F336-F396 HydrophobicContact CB-CD1 4.48Å; F336-F396 HydrophobicContact CB-CE1 3.68Å; F336-F396 HydrophobicContact CB-CZ 4.08Å; F336-F396 AromaticContact CD2-CD1 4Å; F336-F396 HydrophobicContact CD2-CD1 4Å; F336-F396 AromaticContact CD2-CE1 3.62Å; F336-F396 HydrophobicContact CD2-CE1 3.62Å; F336-F396 AromaticContact CG-CE1 3.85Å; F336-F396 HydrophobicContact CG-CE1 3.85Å; F336-L405 VanDerWaalsContact CD2-O 3.25Å; F336-L405 WeakPolarHBondContact CD2-O 3.45Å; F336-L405 VanDerWaalsContact CE2-O 3.31Å; F336-L405 WeakPolarHBondContact CE2-O 3.38Å; F336-V407 HydrophobicContact CD2-CG2 4.33Å; F336-V407 HydrophobicContact CE2-CG2 3.9Å; F336-S426 WeakPolarHBondContact CE2-OG 3.17Å; F336-S426 VanDerWaalsContact CZ-OG 3.27Å; F336-S426 WeakPolarHBondContact CZ-OG 3.5Å; F336-F428 AromaticContact CD1-CZ 3.87Å; F336-F428 HydrophobicContact CD1-CZ 3.87Å; F336-F428 HydrophobicContact CD2-CZ 4.45Å; F336-F428 AromaticContact CE1-CZ 3.75Å; F336-F428 HydrophobicContact CE1-CZ 3.75Å; F336-F428 HydrophobicContact CE2-CE2 4.36Å; F336-F428 HydrophobicContact CE2-CZ 4.35Å; F336-F428 HydrophobicContact CG-CZ 4.23Å; F336-F428 HydrophobicContact CZ-CE2 4.35Å; F336-F428 HydrophobicContact CZ-CZ 4.01Å; F336-F428 WeakPolarHBondContact O-CE2 2.96Å; F336-F428 WeakPolarHBondContact O-CZ 3.36Å
337	N	90.5	Very high	92.4	Very high	37 Å²	37	16.7 Å²	16.7	20%	0.198	10%	0.099	C	C	.	.	S	Bend	trans	-85.7	0	-178.8	69.6	3.4	0	0	0	114.1	D335 D339 D343 F428	D335-N337 PolarHBondContact OD1-OD1 3.49Å; N337-D339 VanDerWaalsContact C-N 3.3Å; N337-D339 VanDerWaalsContact ND2-CG 3.34Å; N337-D339 PolarHBondContact ND2-OD2 2.89Å; N337-D339 PolarHBondContact O-N 2.83Å; N337-D339 VanDerWaalsContact OD1-CB 3.32Å; N337-D339 WeakPolarHBondContact OD1-CB 3.24Å; N337-D339 PolarHBondContact OD1-N 2.87Å; N337-D339 VanDerWaalsContact OD1-N 3.13Å; N337-D339 PolarHBondContact OD1-OD1 2.98Å; N337-D339 VanDerWaalsContact OD1-OD1 3.08Å; N337-D339 PolarHBondContact OD1-OD2 2.96Å; N337-D343 PolarHBondContact N-OD2 2.94Å; N337-F428 HydrophobicContact CB-CE1 4.11Å; N337-F428 HydrophobicContact CB-CZ 4.44Å
338	S	89.5	Confident	93.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	60.2	33.3	-179.8	-54.4	0	0	0	0	113.9	D335 F336 G501	D335-S338 WeakPolarHBondContact OD1-CA 3.49Å; D335-S338 PolarHBondContact OD1-N 2.91Å; F336-S338 VanDerWaalsContact C-N 3.32Å; S338-G501 VanDerWaalsContact O-CA 3.24Å; S338-G501 WeakPolarHBondContact O-CA 3.35Å; S338-G501 PolarHBondContact O-N 3.43Å
339	D	89.4	Confident	93.8	Very high	55 Å²	55	15 Å²	15	29%	0.294	9%	0.091	S	C	.	.	S	Bend	trans	-94.3	-1.5	-179	78	0.5	0	0	0	114.2	D335 N337 F341	D335-D339 PolarHBondContact OD1-N 2.87Å; N337-D339 VanDerWaalsContact C-N 3.3Å; N337-D339 VanDerWaalsContact ND2-CG 3.34Å; N337-D339 PolarHBondContact ND2-OD2 2.89Å; N337-D339 PolarHBondContact O-N 2.83Å; N337-D339 VanDerWaalsContact OD1-CB 3.32Å; N337-D339 WeakPolarHBondContact OD1-CB 3.24Å; N337-D339 PolarHBondContact OD1-N 2.87Å; N337-D339 VanDerWaalsContact OD1-N 3.13Å; N337-D339 PolarHBondContact OD1-OD1 2.98Å; N337-D339 VanDerWaalsContact OD1-OD1 3.08Å; N337-D339 PolarHBondContact OD1-OD2 2.96Å; D339-F341 WeakPolarHBondContact OD1-CB 3.25Å; D339-F341 WeakPolarHBondContact OD1-CD2 3.19Å; D339-F341 PolarHBondContact OD1-N 2.84Å
340	G	91.1	Very high	94	Very high	17 Å²	17	15.6 Å²	15.6	18%	0.175	9%	0.094	C	C	.	.	S	Bend	trans	94.6	-3.6	-178.8	0	0	0	0	0	114.5	D335 G499	D335-G340 VanDerWaalsContact OD2-CA 3.25Å; D335-G340 WeakPolarHBondContact OD2-CA 3.34Å; D335-G340 PolarHBondContact OD2-N 2.7Å; G340-G499 WeakPolarHBondContact CA-O 3.31Å; G340-G499 PolarHBondContact N-O 3.4Å
341	F	94.5	Very high	94	Very high	21 Å²	21	21 Å²	21	9%	0.092	11%	0.108	C	C	.	.	S	Bend	trans	-113.4	130.3	180	-57.8	-82.8	0	0	0	110.6	N271 A272 D339 D343 N362 Y476	N271-F341 WeakPolarHBondContact O-CE1 3.1Å; A272-F341 HydrophobicContact CB-CD1 3.71Å; A272-F341 HydrophobicContact CB-CE1 3.26Å; A272-F341 HydrophobicContact CB-CZ 3.8Å; D339-F341 WeakPolarHBondContact OD1-CB 3.25Å; D339-F341 WeakPolarHBondContact OD1-CD2 3.19Å; D339-F341 PolarHBondContact OD1-N 2.84Å; F341-D343 PolarHBondContact O-N 2.96Å; F341-N362 HydrophobicContact CB-CB 4.23Å; F341-Y476 HydrophobicContact CE2-CE1 4.43Å; F341-Y476 HydrophobicContact CZ-CD1 4.19Å; F341-Y476 AromaticContact CZ-CE1 3.85Å; F341-Y476 HydrophobicContact CZ-CE1 3.85Å
342	A	96.9	Very high	93.8	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.033	13%	0.129	C	C	.	.			trans	-67.8	118.8	179.3	0	0	0	0	0	111.4	E268 F270 N362	E268-A342 HydrophobicContact CB-CB 3.97Å; E268-A342 HydrophobicContact CG-CB 4.08Å; F270-A342 HydrophobicContact CD1-CB 3.82Å; F270-A342 WeakPolarHBondContact CD1-O 3.46Å; F270-A342 HydrophobicContact CE1-CB 3.88Å; A342-N362 VanDerWaalsContact O-CB 3.26Å; A342-N362 WeakPolarHBondContact O-CB 3.26Å; A342-N362 PolarHBondContact O-ND2 2.66Å
343	D	96.7	Very high	93.5	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	172.5	169.3	-62.3	-54.5	0	0	0	110.8	A333 G334 F336 N337 F341 I359 E361 N362	A333-D343 CarbonylContact C-O 3.51Å; A333-D343 WeakPolarHBondContact CA-O 3.47Å; G334-D343 PolarHBondContact N-O 3.11Å; G334-D343 CarbonylContact O-C 3.54Å; G334-D343 WeakPolarHBondContact O-CA 3.35Å; G334-D343 WeakPolarHBondContact O-CB 3.23Å; G334-D343 PolarHBondContact O-N 2.97Å; F336-D343 HydrophobicContact CB-CB 4.25Å; F336-D343 WeakPolarHBondContact CB-OD2 3.21Å; F336-D343 PolarHBondContact N-OD2 3.08Å; N337-D343 PolarHBondContact N-OD2 2.94Å; F341-D343 PolarHBondContact O-N 2.96Å; D343-I359 HydrophobicContact CB-CG2 4.21Å; D343-E361 VanDerWaalsContact OD1-CA 3.25Å; D343-E361 WeakPolarHBondContact OD1-CA 3.45Å; D343-N362 PolarHBondContact OD1-N 3.43Å
344	L	98.1	Very high	93.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146.3	173.4	-46.5	168.4	0	0	0	112.1	L266 F270 L279 L294 V331 R332 A333 I359 L360 F378	L266-L344 HydrophobicContact CD1-CD2 3.9Å; F270-L344 HydrophobicContact CE1-CD2 3.87Å; F270-L344 HydrophobicContact CZ-CD2 4.18Å; L279-L344 HydrophobicContact CD1-CD1 4.11Å; L279-L344 HydrophobicContact CD2-CD1 4.45Å; L294-L344 HydrophobicContact CD1-CD1 4.36Å; V331-L344 HydrophobicContact CG1-CB 3.61Å; V331-L344 HydrophobicContact CG1-CD1 4Å; V331-L344 HydrophobicContact CG1-CD2 4.14Å; V331-L344 HydrophobicContact CG1-CG 4.13Å; R332-L344 CarbonylContact O-C 3.58Å; R332-L344 VanDerWaalsContact O-CA 3.25Å; R332-L344 WeakPolarHBondContact O-CA 3.42Å; A333-L344 HydrophobicContact CB-CD2 3.71Å; L344-I359 CarbonylContact O-C 3.51Å; L344-I359 WeakPolarHBondContact O-CA 3.36Å; L344-L360 HydrophobicContact CB-CB 3.94Å; L344-L360 HydrophobicContact CB-CD1 4.28Å; L344-L360 HydrophobicContact CD1-CD1 4.44Å; L344-L360 PolarHBondContact N-O 3.42Å; L344-L360 PolarHBondContact O-N 3.36Å; L344-F378 HydrophobicContact CD1-CD1 3.64Å; L344-F378 HydrophobicContact CD1-CD2 4.29Å; L344-F378 HydrophobicContact CD1-CE1 3.68Å; L344-F378 HydrophobicContact CD1-CE2 4.33Å; L344-F378 HydrophobicContact CD1-CG 3.95Å; L344-F378 HydrophobicContact CD1-CZ 4.03Å; L344-F378 HydrophobicContact CD2-CE1 4.27Å; L344-F378 HydrophobicContact CG-CD1 3.79Å; L344-F378 HydrophobicContact CG-CE1 3.58Å; L344-F378 HydrophobicContact CG-CZ 4.22Å
345	V	96.9	Very high	93.3	Very high	2 Å²	2	27 Å²	27	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.4	169.4	64.2	0	0	0	0	110.8	R332 V357 I359 A394 F396	R332-V345 HydrophobicContact CB-CG1 3.87Å; R332-V345 PolarHBondContact N-O 2.78Å; R332-V345 PolarHBondContact O-N 2.84Å; V345-V357 HydrophobicContact CG2-CG1 3.48Å; V345-V357 VanDerWaalsContact CG2-CG1 3.48Å; V345-I359 HydrophobicContact CB-CD1 4.11Å; V345-I359 HydrophobicContact CG2-CD1 4.1Å; V345-A394 HydrophobicContact CG2-CB 3.76Å; V345-F396 HydrophobicContact CB-CE1 4.16Å; V345-F396 HydrophobicContact CB-CE2 3.89Å; V345-F396 HydrophobicContact CB-CZ 3.64Å; V345-F396 HydrophobicContact CG1-CD2 4.02Å; V345-F396 HydrophobicContact CG1-CE1 4.47Å; V345-F396 HydrophobicContact CG1-CE2 3.67Å; V345-F396 HydrophobicContact CG1-CZ 3.93Å
346	I	96	Very high	93.3	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.026	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.8	-175.5	-164.6	168.8	0	0	0	111.6	L292 F309 L320 V331 L348 V357 F358 L360 L380	L292-I346 HydrophobicContact CD2-CD1 4Å; F309-I346 HydrophobicContact CE1-CD1 3.91Å; F309-I346 HydrophobicContact CZ-CD1 3.89Å; L320-I346 HydrophobicContact CD1-CD1 3.66Å; L320-I346 HydrophobicContact CD1-CG1 3.78Å; V331-I346 HydrophobicContact CG2-CD1 4.35Å; I346-L348 HydrophobicContact CD1-CD2 4.1Å; I346-L348 HydrophobicContact CG1-CD2 4.15Å; I346-L348 HydrophobicContact CG2-CD2 4.48Å; I346-L348 HydrophobicContact CG2-CG 4.37Å; I346-V357 WeakPolarHBondContact O-CA 3.37Å; I346-F358 HydrophobicContact CG2-CB 3.91Å; I346-F358 PolarHBondContact N-O 2.88Å; I346-F358 PolarHBondContact O-N 2.81Å; I346-L360 HydrophobicContact CB-CD1 4.18Å; I346-L360 HydrophobicContact CD1-CD1 4.1Å; I346-L360 HydrophobicContact CG2-CD1 3.86Å; I346-L360 HydrophobicContact CG2-CG 4.21Å; I346-L380 HydrophobicContact CG2-CD1 4.42Å
347	V	95.1	Very high	93.5	Very high	13 Å²	13	26.3 Å²	26.3	8%	0.079	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.4	173.2	-177.1	0	0	0	0	109.8	K321 A356 V357 V391 A394	K321-V347 HydrophobicContact CB-CB 4.16Å; K321-V347 HydrophobicContact CB-CG1 3.71Å; K321-V347 WeakPolarHBondContact CB-O 3.42Å; K321-V347 HydrophobicContact CG-CG1 4.01Å; K321-V347 PolarHBondContact N-O 3.3Å; V347-A356 WeakPolarHBondContact CA-O 3.34Å; V347-V357 HydrophobicContact CG2-CG2 4.41Å; V347-V391 HydrophobicContact CB-CG1 4.43Å; V347-V391 HydrophobicContact CG1-CB 4.44Å; V347-V391 HydrophobicContact CG1-CG1 3.59Å; V347-V391 HydrophobicContact CG2-CG1 3.9Å; V347-A394 HydrophobicContact CG2-CB 4.09Å
348	L	95	Very high	93.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	151.9	178.3	-55.6	179.3	0	0	0	110.8	F309 W318 H319 I346 R355 A356 F358 L380	F309-L348 HydrophobicContact CB-CD1 4.03Å; F309-L348 HydrophobicContact CD1-CD1 3.89Å; F309-L348 HydrophobicContact CD1-CD2 3.9Å; F309-L348 HydrophobicContact CD2-CD2 3.91Å; F309-L348 HydrophobicContact CE1-CD2 3.84Å; F309-L348 HydrophobicContact CE2-CD2 3.83Å; F309-L348 HydrophobicContact CG-CD1 3.98Å; F309-L348 HydrophobicContact CG-CD2 3.92Å; F309-L348 HydrophobicContact CZ-CD2 3.77Å; W318-L348 HydrophobicContact CB-CB 4.19Å; W318-L348 HydrophobicContact CB-CD1 4.03Å; W318-L348 HydrophobicContact CD2-CB 4.17Å; W318-L348 HydrophobicContact CE3-CB 3.6Å; W318-L348 HydrophobicContact CG-CB 4.45Å; W318-L348 HydrophobicContact CG-CD1 4.38Å; W318-L348 HydrophobicContact CZ3-CB 4.31Å; W318-L348 WeakPolarHBondContact CZ3-O 3.24Å; H319-L348 CarbonylContact O-C 3.51Å; H319-L348 WeakPolarHBondContact O-CA 3.25Å; I346-L348 HydrophobicContact CD1-CD2 4.1Å; I346-L348 HydrophobicContact CG1-CD2 4.15Å; I346-L348 HydrophobicContact CG2-CD2 4.48Å; I346-L348 HydrophobicContact CG2-CG 4.37Å; L348-R355 VanDerWaalsContact O-CA 3.27Å; L348-R355 WeakPolarHBondContact O-CA 3.31Å; L348-A356 PolarHBondContact N-O 3.16Å; L348-A356 PolarHBondContact O-N 3.35Å; L348-F358 HydrophobicContact CB-CD2 3.99Å; L348-F358 HydrophobicContact CB-CE2 3.98Å; L348-F358 HydrophobicContact CD1-CD2 3.61Å; L348-F358 HydrophobicContact CD1-CE2 3.87Å; L348-F358 HydrophobicContact CD1-CG 4.11Å; L348-F358 HydrophobicContact CG-CD2 3.84Å; L348-F358 HydrophobicContact CG-CE2 4.24Å; L348-L380 HydrophobicContact CD1-CD1 4.25Å; L348-L380 HydrophobicContact CD1-CD2 4.08Å
349	E	93.3	Very high	94	Very high	29 Å²	29	24.8 Å²	24.8	14%	0.136	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146	178.9	-177	164.1	-127	0	0	110.5	H319 K321 S354 R355	H319-E349 PolarHBondContact CE1-O 3.5Å; H319-E349 PolarHBondContact N-O 2.73Å; H319-E349 PolarHBondContact ND1-O 2.78Å; H319-E349 IonicContact NE2-OE2 2.8Å; H319-E349 PolarHBondContact O-N 2.74Å; K321-E349 HydrophobicContact CB-CB 4.21Å; K321-E349 HydrophobicContact CD-CB 3.91Å; K321-E349 HydrophobicContact CD-CG 4.29Å; K321-E349 WeakPolarHBondContact CD-OE2 3.04Å; K321-E349 VanDerWaalsContact NZ-CD 3.28Å; K321-E349 IonicContact NZ-OE1 3.94Å; K321-E349 PolarHBondContact NZ-OE1 2.99Å; K321-E349 VanDerWaalsContact NZ-OE1 3.09Å; K321-E349 IonicContact NZ-OE2 3.82Å; K321-E349 PolarHBondContact NZ-OE2 2.6Å; E349-S354 CarbonylContact C-O 3.56Å; E349-S354 WeakPolarHBondContact CA-O 3.47Å; E349-R355 HydrophobicContact CB-CG 4.08Å; E349-R355 HydrophobicContact CG-CG 3.94Å; E349-R355 IonicContact OE1-CZ 2.92Å; E349-R355 IonicContact OE1-NE 3.86Å; E349-R355 PolarHBondContact OE1-NE 2.69Å; E349-R355 IonicContact OE1-NH2 3.22Å; E349-R355 PolarHBondContact OE1-NH2 3.32Å
350	K	92	Very high	94.3	Very high	33 Å²	33	22.1 Å²	22.1	14%	0.143	12%	0.118	C	C	.	.			trans	-102	158.9	166.1	-67.8	-163.2	175.4	-139.3	0	109.9	E314 E316 W318 N352 G353 S354	E314-K350 IonicContact OE2-NZ 2.61Å; E314-K350 PolarHBondContact OE2-NZ 3.24Å; E316-K350 HydrophobicContact CB-CD 4.19Å; E316-K350 WeakPolarHBondContact O-CD 3.31Å; E316-K350 WeakPolarHBondContact O-CE 3.49Å; E316-K350 PolarHBondContact O-NZ 3.13Å; W318-K350 HydrophobicContact CD2-CD 4.3Å; W318-K350 HydrophobicContact CD2-CG 3.71Å; W318-K350 HydrophobicContact CE3-CG 3.56Å; W318-K350 HydrophobicContact CG-CG 4.37Å; W318-K350 HydrophobicContact CH2-CD 4.44Å; W318-K350 HydrophobicContact CH2-CG 4.08Å; W318-K350 HydrophobicContact CZ2-CD 4.22Å; W318-K350 VanDerWaalsContact CZ2-CE 3.44Å; W318-K350 HydrophobicContact CZ2-CG 4.21Å; W318-K350 HydrophobicContact CZ3-CG 3.76Å; W318-K350 VanDerWaalsContact NE1-CE 3.27Å; K350-N352 PolarHBondContact O-N 3.25Å; K350-N352 VanDerWaalsContact O-N 3.08Å; K350-G353 PolarHBondContact O-N 3.08Å; K350-S354 PolarHBondContact N-O 3.4Å
351	K	88.6	Confident	94.6	Very high	163 Å²	163	24.6 Å²	24.6	71%	0.709	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-28.7	176.4	-70.6	-173.9	177	179.3	0	113.8	G353	K351-G353 PolarHBondContact O-N 2.86Å
352	N	89.6	Confident	94.7	Very high	86 Å²	86	23.7 Å²	23.7	46%	0.46	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	1.3	176.2	72.1	16.2	0	0	0	114.4	E316 K350 S354	E316-N352 VanDerWaalsContact OE2-CG 3.26Å; E316-N352 PolarHBondContact OE2-ND2 3.38Å; K350-N352 PolarHBondContact O-N 3.25Å; K350-N352 VanDerWaalsContact O-N 3.08Å; N352-S354 VanDerWaalsContact C-N 3.35Å; N352-S354 WeakPolarHBondContact OD1-CA 3.41Å; N352-S354 WeakPolarHBondContact OD1-CB 3.25Å; N352-S354 PolarHBondContact OD1-N 3.02Å; N352-S354 PolarHBondContact OD1-OG 2.84Å
353	G	90.1	Very high	94.6	Very high	25 Å²	25	24.3 Å²	24.3	26%	0.258	13%	0.126	S	C	.	.	S	Bend	trans	83.2	2.9	-178.5	0	0	0	0	0	114.9	K350 K351 R355	K350-G353 PolarHBondContact O-N 3.08Å; K351-G353 PolarHBondContact O-N 2.86Å; G353-R355 PolarHBondContact O-N 3.35Å
354	S	93.1	Very high	94.4	Very high	30 Å²	30	26.8 Å²	26.8	21%	0.21	14%	0.142	C	C	.	.			trans	-66.1	128.1	170.2	-63.1	0	0	0	0	109.4	E349 K350 N352	E349-S354 CarbonylContact C-O 3.56Å; E349-S354 WeakPolarHBondContact CA-O 3.47Å; K350-S354 PolarHBondContact N-O 3.4Å; N352-S354 VanDerWaalsContact C-N 3.35Å; N352-S354 WeakPolarHBondContact OD1-CA 3.41Å; N352-S354 WeakPolarHBondContact OD1-CB 3.25Å; N352-S354 PolarHBondContact OD1-N 3.02Å; N352-S354 PolarHBondContact OD1-OG 2.84Å
355	R	95.2	Very high	94	Very high	32 Å²	32	28 Å²	28	12%	0.121	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	152.6	174.3	-56.1	176.6	-171.4	165.5	7.7	110.6	K321 L348 E349 G353 S388 V391	K321-R355 HydrophobicContact CD-CG 4.45Å; K321-R355 VanDerWaalsContact CE-NE 3.34Å; K321-R355 VanDerWaalsContact NZ-CZ 3.32Å; L348-R355 VanDerWaalsContact O-CA 3.27Å; L348-R355 WeakPolarHBondContact O-CA 3.31Å; E349-R355 HydrophobicContact CB-CG 4.08Å; E349-R355 HydrophobicContact CG-CG 3.94Å; E349-R355 IonicContact OE1-CZ 2.92Å; E349-R355 IonicContact OE1-NE 3.86Å; E349-R355 PolarHBondContact OE1-NE 2.69Å; E349-R355 IonicContact OE1-NH2 3.22Å; E349-R355 PolarHBondContact OE1-NH2 3.32Å; G353-R355 PolarHBondContact O-N 3.35Å; R355-S388 CarbonylContact C-O 3.49Å; R355-S388 WeakPolarHBondContact CB-O 3.36Å; R355-S388 CarbonylContact O-C 3.55Å; R355-S388 PolarHBondContact O-N 2.89Å; R355-S388 VanDerWaalsContact O-N 3.08Å; R355-V391 HydrophobicContact CB-CB 4.16Å; R355-V391 WeakPolarHBondContact CD-O 3.49Å; R355-V391 PolarHBondContact NH1-O 3.23Å
356	A	95.3	Very high	93.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	153.5	178.1	0	0	0	0	0	112	W318 V347 L348 F358 P384 Y386 K387	W318-A356 HydrophobicContact CH2-CB 3.7Å; W318-A356 HydrophobicContact CZ2-CB 4.44Å; W318-A356 HydrophobicContact CZ3-CB 4.12Å; V347-A356 WeakPolarHBondContact CA-O 3.34Å; L348-A356 PolarHBondContact N-O 3.16Å; L348-A356 PolarHBondContact O-N 3.35Å; A356-F358 HydrophobicContact CB-CD2 4.21Å; A356-F358 HydrophobicContact CB-CE2 3.64Å; A356-F358 HydrophobicContact CB-CZ 4.29Å; A356-P384 HydrophobicContact CB-CB 3.57Å; A356-P384 HydrophobicContact CB-CG 4.29Å; A356-Y386 CarbonylContact C-O 3.55Å; A356-Y386 WeakPolarHBondContact CA-O 3.2Å; A356-Y386 WeakPolarHBondContact CB-O 3.23Å; A356-K387 HydrophobicContact CB-CB 4.23Å; A356-K387 HydrophobicContact CB-CG 4.24Å
357	V	95.6	Very high	92.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.3	172.5	-175.9	0	0	0	0	108.3	V345 I346 V347 P384 L385 Y386 V391 A394 V407 V409	V345-V357 HydrophobicContact CG2-CG1 3.48Å; V345-V357 VanDerWaalsContact CG2-CG1 3.48Å; I346-V357 WeakPolarHBondContact O-CA 3.37Å; V347-V357 HydrophobicContact CG2-CG2 4.41Å; V357-P384 CarbonylContact O-C 3.59Å; V357-P384 WeakPolarHBondContact O-CA 3.39Å; V357-L385 PolarHBondContact O-N 3.24Å; V357-Y386 HydrophobicContact CG2-CD1 4.49Å; V357-Y386 PolarHBondContact N-O 2.88Å; V357-V391 HydrophobicContact CG2-CG1 3.82Å; V357-A394 HydrophobicContact CB-CB 4.46Å; V357-A394 HydrophobicContact CG1-CB 3.67Å; V357-A394 HydrophobicContact CG2-CB 3.91Å; V357-V407 HydrophobicContact CG1-CG1 4.32Å; V357-V409 HydrophobicContact CG2-CG1 4.16Å; V357-V409 HydrophobicContact CG2-CG2 3.86Å
358	F	95.6	Very high	91.8	Very high	3 Å²	3	45 Å²	45	1%	0.013	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150.7	177.7	-72.2	-93.6	0	0	0	110.6	W318 I346 L348 A356 L380 Q381 P384	W318-F358 HydrophobicContact CD2-CE2 4.04Å; W318-F358 HydrophobicContact CD2-CZ 4.13Å; W318-F358 AromaticContact CE2-CE2 3.92Å; W318-F358 AromaticContact CE2-CZ 3.6Å; W318-F358 HydrophobicContact CE3-CE2 4.16Å; W318-F358 HydrophobicContact CH2-CE2 4.11Å; W318-F358 HydrophobicContact CH2-CZ 4.29Å; W318-F358 AromaticContact CZ2-CE2 3.98Å; W318-F358 HydrophobicContact CZ2-CE2 3.98Å; W318-F358 AromaticContact CZ2-CZ 3.71Å; W318-F358 HydrophobicContact CZ2-CZ 3.71Å; W318-F358 HydrophobicContact CZ3-CE2 4.19Å; W318-F358 AromaticContact NE1-CZ 3.8Å; I346-F358 HydrophobicContact CG2-CB 3.91Å; I346-F358 PolarHBondContact N-O 2.88Å; I346-F358 PolarHBondContact O-N 2.81Å; L348-F358 HydrophobicContact CB-CD2 3.99Å; L348-F358 HydrophobicContact CB-CE2 3.98Å; L348-F358 HydrophobicContact CD1-CD2 3.61Å; L348-F358 HydrophobicContact CD1-CE2 3.87Å; L348-F358 HydrophobicContact CD1-CG 4.11Å; L348-F358 HydrophobicContact CG-CD2 3.84Å; L348-F358 HydrophobicContact CG-CE2 4.24Å; A356-F358 HydrophobicContact CB-CD2 4.21Å; A356-F358 HydrophobicContact CB-CE2 3.64Å; A356-F358 HydrophobicContact CB-CZ 4.29Å; F358-L380 HydrophobicContact CB-CD1 3.59Å; F358-L380 HydrophobicContact CD1-CD1 4.05Å; F358-L380 HydrophobicContact CD1-CG 4.37Å; F358-L380 HydrophobicContact CG-CD1 3.99Å; F358-Q381 WeakPolarHBondContact CD1-O 3.44Å; F358-P384 HydrophobicContact CD1-CB 4.21Å; F358-P384 HydrophobicContact CD2-CB 4.44Å; F358-P384 HydrophobicContact CE1-CB 3.8Å; F358-P384 HydrophobicContact CE1-CG 4.36Å; F358-P384 HydrophobicContact CE2-CB 4.07Å; F358-P384 HydrophobicContact CZ-CB 3.72Å; F358-P384 HydrophobicContact CZ-CG 4.24Å
359	I	95.6	Very high	90.9	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.2	167.5	-56.6	-59.8	0	0	0	108.3	F336 D343 L344 V345 Q381 L385 F396	F336-I359 HydrophobicContact CD1-CD1 4.17Å; F336-I359 HydrophobicContact CD1-CG1 3.97Å; F336-I359 HydrophobicContact CD1-CG2 4.26Å; F336-I359 HydrophobicContact CE1-CD1 4.38Å; F336-I359 HydrophobicContact CE1-CG1 3.98Å; F336-I359 HydrophobicContact CG-CD1 4.31Å; D343-I359 HydrophobicContact CB-CG2 4.21Å; L344-I359 CarbonylContact O-C 3.51Å; L344-I359 WeakPolarHBondContact O-CA 3.36Å; V345-I359 HydrophobicContact CB-CD1 4.11Å; V345-I359 HydrophobicContact CG2-CD1 4.1Å; I359-Q381 HydrophobicContact CB-CG 4.35Å; I359-Q381 PolarHBondContact O-N 2.81Å; I359-L385 HydrophobicContact CD1-CD2 4.33Å; I359-L385 HydrophobicContact CG1-CD2 4.49Å; I359-F396 HydrophobicContact CD1-CE1 3.95Å; I359-F396 HydrophobicContact CD1-CZ 4.09Å
360	L	96.9	Very high	89.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	99.4	167.6	-79	160.3	0	0	0	106	V307 L344 I346 F378 V379 L380	V307-L360 HydrophobicContact CG1-CD2 3.5Å; V307-L360 VanDerWaalsContact CG1-CD2 3.5Å; L344-L360 HydrophobicContact CB-CB 3.94Å; L344-L360 HydrophobicContact CB-CD1 4.28Å; L344-L360 HydrophobicContact CD1-CD1 4.44Å; L344-L360 PolarHBondContact N-O 3.42Å; L344-L360 PolarHBondContact O-N 3.36Å; I346-L360 HydrophobicContact CB-CD1 4.18Å; I346-L360 HydrophobicContact CD1-CD1 4.1Å; I346-L360 HydrophobicContact CG2-CD1 3.86Å; I346-L360 HydrophobicContact CG2-CG 4.21Å; L360-F378 HydrophobicContact CB-CB 4.35Å; L360-F378 HydrophobicContact CD2-CB 4.47Å; L360-V379 CarbonylContact C-O 3.47Å; L360-V379 WeakPolarHBondContact CA-O 3.43Å; L360-L380 HydrophobicContact CD2-CB 3.85Å; L360-L380 HydrophobicContact CD2-CD1 3.92Å; L360-L380 HydrophobicContact CG-CD1 4.11Å
361	E	96.1	Very high	89	Confident	69 Å²	69	54.2 Å²	54.2	32%	0.322	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130	-175.4	-174.7	176.7	152.2	0	0	110.1	D343 A363 F378 V379 Q381	D343-E361 VanDerWaalsContact OD1-CA 3.25Å; D343-E361 WeakPolarHBondContact OD1-CA 3.45Å; E361-A363 PolarHBondContact O-N 3.31Å; E361-F378 CarbonylContact O-C 3.4Å; E361-F378 WeakPolarHBondContact O-CA 3.48Å; E361-V379 PolarHBondContact N-O 2.98Å; E361-V379 PolarHBondContact O-N 2.89Å; E361-Q381 HydrophobicContact CB-CG 4.35Å; E361-Q381 PolarHBondContact OE2-NE2 3.21Å
362	N	96.4	Very high	88.4	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	102.5	175.7	-174.3	-11	0	0	0	109.1	F270 F341 A342 D343 R376 F378	F270-N362 PolarHBondContact O-ND2 3.28Å; F341-N362 HydrophobicContact CB-CB 4.23Å; A342-N362 VanDerWaalsContact O-CB 3.26Å; A342-N362 WeakPolarHBondContact O-CB 3.26Å; A342-N362 PolarHBondContact O-ND2 2.66Å; D343-N362 PolarHBondContact OD1-N 3.43Å; N362-R376 PolarHBondContact O-NH2 2.82Å; N362-R376 WeakPolarHBondContact OD1-CB 3.37Å; N362-R376 VanDerWaalsContact OD1-CD 3.31Å; N362-R376 WeakPolarHBondContact OD1-CD 3.4Å; N362-R376 PolarHBondContact OD1-NE 3.26Å; N362-F378 HydrophobicContact CB-CD1 4.15Å; N362-F378 HydrophobicContact CB-CE1 3.79Å
363	A	95	Very high	87.7	Confident	17 Å²	17	48.3 Å²	48.3	14%	0.14	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	155.7	-175.1	0	0	0	0	0	111.8	E361 R376 K377 V379	E361-A363 PolarHBondContact O-N 3.31Å; A363-R376 CarbonylContact O-C 3.55Å; A363-R376 WeakPolarHBondContact O-CA 3.16Å; A363-K377 HydrophobicContact CB-CG 4.48Å; A363-K377 PolarHBondContact N-O 3.21Å; A363-K377 PolarHBondContact O-N 3.08Å; A363-V379 HydrophobicContact CB-CG2 4.1Å
364	P	92.5	Very high	87.4	Confident	54 Å²	54	47.6 Å²	47.6	35%	0.351	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	141.8	172	26.6	-34.3	0	0	0	111.6	Y366	P364-Y366 HydrophobicContact CG-CE2 4.48Å
365	S	90.1	Very high	87	Confident	25 Å²	25	49.9 Å²	49.9	18%	0.175	29%	0.293	C	S	.	.			trans	-83.7	144.5	169	-62.6	0	0	0	0	110.3	C372 S374 P375 R376	S365-C372 PolarHBondContact OG-SG 2.72Å; S365-C372 VanDerWaalsContact OG-SG 3.33Å; S365-S374 WeakPolarHBondContact CB-O 3.32Å; S365-S374 PolarHBondContact OG-O 3.5Å; S365-P375 WeakPolarHBondContact CB-O 3.26Å; S365-P375 PolarHBondContact N-O 3.39Å; S365-R376 PolarHBondContact OG-O 3.04Å
366	Y	86.1	Confident	86.8	Confident	158 Å²	158	49.8 Å²	49.8	62%	0.62	29%	0.293	S	S	*	.			trans	-113.2	151.9	176.1	-63.8	-75.3	0	0	0	111.4	P364 G368 D369	P364-Y366 HydrophobicContact CG-CE2 4.48Å; Y366-G368 PolarHBondContact O-N 3.21Å; Y366-D369 PolarHBondContact N-OD2 3.03Å; Y366-D369 PolarHBondContact O-N 2.88Å; Y366-D369 VanDerWaalsContact O-N 3.13Å
367	P	79	Confident	86.8	Confident	140 Å²	140	51.7 Å²	51.7	91%	0.909	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	117.6	174	-23.8	33.1	0	0	0	111.1
368	G	75.6	Confident	86.8	Confident	79 Å²	79	52 Å²	52	81%	0.814	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.3	-8.1	-176.9	0	0	0	0	0	115.1	Y366 S370	Y366-G368 PolarHBondContact O-N 3.21Å; G368-S370 PolarHBondContact O-N 3.2Å
369	D	77.2	Confident	86.7	Confident	55 Å²	55	55 Å²	55	29%	0.294	32%	0.321	S	S	.	.			trans	-66.4	90.6	172.6	-81.7	-42.6	0	0	0	111.3	Y366 Q371 C372 K377	Y366-D369 PolarHBondContact N-OD2 3.03Å; Y366-D369 PolarHBondContact O-N 2.88Å; Y366-D369 VanDerWaalsContact O-N 3.13Å; D369-Q371 PolarHBondContact O-N 2.79Å; D369-C372 HydrophobicContact CB-CB 4.32Å; D369-C372 PolarHBondContact O-N 3.45Å; D369-C372 VanDerWaalsContact O-O 3.05Å; D369-K377 IonicContact OD1-NZ 2.75Å; D369-K377 PolarHBondContact OD1-NZ 2.76Å; D369-K377 IonicContact OD2-NZ 3.52Å; D369-K377 PolarHBondContact OD2-NZ 3.4Å
370	S	72.6	Confident	86.7	Confident	109 Å²	109	56.6 Å²	56.6	76%	0.762	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.5	179.9	65.6	0	0	0	0	115.1	G368	G368-S370 PolarHBondContact O-N 3.2Å
371	Q	72.8	Confident	86.5	Confident	92 Å²	92	59.7 Å²	59.7	43%	0.43	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	0.8	-176.4	-61.7	-172.5	24.8	0	0	113.4	Q305 A306 D369	Q305-Q371 VanDerWaalsContact CA-O 3.27Å; Q305-Q371 WeakPolarHBondContact CA-O 3.37Å; Q305-Q371 WeakPolarHBondContact CG-O 3.47Å; A306-Q371 PolarHBondContact O-OE1 3.07Å; D369-Q371 PolarHBondContact O-N 2.79Å
372	C	76.2	Confident	86.1	Confident	17 Å²	17	61.8 Å²	61.8	12%	0.115	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-138.4	133	179.3	-168	0	0	0	0	111.1	Q305 S365 D369 S374 R376 K377	Q305-C372 HydrophobicContact CG-CB 4.27Å; S365-C372 PolarHBondContact OG-SG 2.72Å; S365-C372 VanDerWaalsContact OG-SG 3.33Å; D369-C372 HydrophobicContact CB-CB 4.32Å; D369-C372 PolarHBondContact O-N 3.45Å; D369-C372 VanDerWaalsContact O-O 3.05Å; C372-S374 PolarHBondContact SG-N 3.33Å; C372-R376 PolarHBondContact SG-O 3.16Å; C372-K377 HydrophobicContact CB-CB 4.12Å
373	E	75.1	Confident	85.7	Confident	108 Å²	108	64.6 Å²	64.6	51%	0.505	38%	0.383	S	S	.	.			trans	-108	-1.6	175.1	-74.2	173.9	159.3	0	0	113.3	K247 H303	K247-E373 WeakPolarHBondContact CE-OE1 3.5Å; K247-E373 WeakPolarHBondContact CE-OE2 3.35Å; K247-E373 IonicContact NZ-OE1 3.27Å; K247-E373 PolarHBondContact NZ-OE1 3.01Å; K247-E373 IonicContact NZ-OE2 2.73Å; K247-E373 PolarHBondContact NZ-OE2 2.88Å; H303-E373 HydrophobicContact CB-CB 4.48Å; H303-E373 PolarHBondContact ND1-O 3.28Å
374	S	83	Confident	85.6	Confident	9 Å²	9	65.7 Å²	65.7	6%	0.063	39%	0.389	C	S	.	.	S	Bend	trans	-95.8	153.7	-179	166.9	0	0	0	0	110.9	S365 C372 R376	S365-S374 WeakPolarHBondContact CB-O 3.32Å; S365-S374 PolarHBondContact OG-O 3.5Å; C372-S374 PolarHBondContact SG-N 3.33Å; S374-R376 VanDerWaalsContact CB-O 3.25Å; S374-R376 WeakPolarHBondContact CB-O 3.27Å; S374-R376 PolarHBondContact O-N 2.78Å; S374-R376 VanDerWaalsContact O-N 3.07Å; S374-R376 PolarHBondContact OG-N 3.14Å; S374-R376 VanDerWaalsContact OG-N 3.15Å; S374-R376 PolarHBondContact OG-O 3.15Å
375	P	84	Confident	85.5	Confident	78 Å²	78	64.2 Å²	64.2	51%	0.506	38%	0.378	S	S	.	.	S	Bend	trans	-52.9	-22.4	167.7	23.2	-36.1	0	0	0	113.6	S365	S365-P375 WeakPolarHBondContact CB-O 3.26Å; S365-P375 PolarHBondContact N-O 3.39Å
376	R	92.7	Very high	85.7	Confident	31 Å²	31	65 Å²	65	12%	0.117	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	160.6	177.5	-58.3	-155.8	71.3	111.3	-10.9	112.8	F270 N362 A363 S365 C372 S374	F270-R376 VanDerWaalsContact O-CD 3.27Å; F270-R376 WeakPolarHBondContact O-CD 3.39Å; N362-R376 PolarHBondContact O-NH2 2.82Å; N362-R376 WeakPolarHBondContact OD1-CB 3.37Å; N362-R376 VanDerWaalsContact OD1-CD 3.31Å; N362-R376 WeakPolarHBondContact OD1-CD 3.4Å; N362-R376 PolarHBondContact OD1-NE 3.26Å; A363-R376 CarbonylContact O-C 3.55Å; A363-R376 WeakPolarHBondContact O-CA 3.16Å; S365-R376 PolarHBondContact OG-O 3.04Å; C372-R376 PolarHBondContact SG-O 3.16Å; S374-R376 VanDerWaalsContact CB-O 3.25Å; S374-R376 WeakPolarHBondContact CB-O 3.27Å; S374-R376 PolarHBondContact O-N 2.78Å; S374-R376 VanDerWaalsContact O-N 3.07Å; S374-R376 PolarHBondContact OG-N 3.14Å; S374-R376 VanDerWaalsContact OG-N 3.15Å; S374-R376 PolarHBondContact OG-O 3.15Å
377	K	94.1	Very high	86.1	Confident	39 Å²	39	63.8 Å²	63.8	17%	0.17	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	148.3	-178	68	-177.3	179.4	-171.1	0	111.1	A363 D369 C372 V379	A363-K377 HydrophobicContact CB-CG 4.48Å; A363-K377 PolarHBondContact N-O 3.21Å; A363-K377 PolarHBondContact O-N 3.08Å; D369-K377 IonicContact OD1-NZ 2.75Å; D369-K377 PolarHBondContact OD1-NZ 2.76Å; D369-K377 IonicContact OD2-NZ 3.52Å; D369-K377 PolarHBondContact OD2-NZ 3.4Å; C372-K377 HydrophobicContact CB-CB 4.12Å; K377-V379 HydrophobicContact CD-CG2 4.43Å; K377-V379 HydrophobicContact CG-CG2 4.14Å
378	F	95.8	Very high	86.7	Confident	7 Å²	7	58.1 Å²	58.1	3%	0.031	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125.1	174.1	-64.9	-81	0	0	0	111.4	F270 L279 L294 Q305 V307 L344 L360 E361 N362	F270-F378 HydrophobicContact CD1-CE1 4.18Å; F270-F378 AromaticContact CD1-CZ 3.56Å; F270-F378 HydrophobicContact CD1-CZ 3.56Å; F270-F378 HydrophobicContact CE1-CE1 4.28Å; F270-F378 AromaticContact CE1-CZ 3.8Å; F270-F378 HydrophobicContact CE1-CZ 3.8Å; F270-F378 HydrophobicContact CG-CZ 4.2Å; L279-F378 HydrophobicContact CD1-CD2 4.22Å; L279-F378 HydrophobicContact CD1-CE2 3.43Å; L279-F378 VanDerWaalsContact CD1-CE2 3.43Å; L279-F378 HydrophobicContact CD1-CZ 3.77Å; L294-F378 HydrophobicContact CD1-CB 3.81Å; L294-F378 HydrophobicContact CD1-CD2 3.49Å; L294-F378 VanDerWaalsContact CD1-CD2 3.49Å; L294-F378 HydrophobicContact CD1-CE2 4.35Å; L294-F378 HydrophobicContact CD1-CG 3.86Å; Q305-F378 PolarHBondContact NE2-O 2.95Å; V307-F378 HydrophobicContact CG2-CB 4.43Å; L344-F378 HydrophobicContact CD1-CD1 3.64Å; L344-F378 HydrophobicContact CD1-CD2 4.29Å; L344-F378 HydrophobicContact CD1-CE1 3.68Å; L344-F378 HydrophobicContact CD1-CE2 4.33Å; L344-F378 HydrophobicContact CD1-CG 3.95Å; L344-F378 HydrophobicContact CD1-CZ 4.03Å; L344-F378 HydrophobicContact CD2-CE1 4.27Å; L344-F378 HydrophobicContact CG-CD1 3.79Å; L344-F378 HydrophobicContact CG-CE1 3.58Å; L344-F378 HydrophobicContact CG-CZ 4.22Å; L360-F378 HydrophobicContact CB-CB 4.35Å; L360-F378 HydrophobicContact CD2-CB 4.47Å; E361-F378 CarbonylContact O-C 3.4Å; E361-F378 WeakPolarHBondContact O-CA 3.48Å; N362-F378 HydrophobicContact CB-CD1 4.15Å; N362-F378 HydrophobicContact CB-CE1 3.79Å
379	V	94.4	Very high	87.6	Confident	66 Å²	66	60.3 Å²	60.3	40%	0.4	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.2	-179.1	-177.2	0	0	0	0	109.3	L360 E361 A363 K377 Q381	L360-V379 CarbonylContact C-O 3.47Å; L360-V379 WeakPolarHBondContact CA-O 3.43Å; E361-V379 PolarHBondContact N-O 2.98Å; E361-V379 PolarHBondContact O-N 2.89Å; A363-V379 HydrophobicContact CB-CG2 4.1Å; K377-V379 HydrophobicContact CD-CG2 4.43Å; K377-V379 HydrophobicContact CG-CG2 4.14Å; V379-Q381 PolarHBondContact O-N 2.96Å
380	L	95	Very high	88.3	Confident	34 Å²	34	61.3 Å²	61.3	18%	0.178	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	122.6	176.3	-175.6	70.7	0	0	0	109.9	F309 I346 L348 F358 L360 S382	F309-L380 HydrophobicContact CB-CD2 4.38Å; F309-L380 HydrophobicContact CD1-CD2 4.26Å; I346-L380 HydrophobicContact CG2-CD1 4.42Å; L348-L380 HydrophobicContact CD1-CD1 4.25Å; L348-L380 HydrophobicContact CD1-CD2 4.08Å; F358-L380 HydrophobicContact CB-CD1 3.59Å; F358-L380 HydrophobicContact CD1-CD1 4.05Å; F358-L380 HydrophobicContact CD1-CG 4.37Å; F358-L380 HydrophobicContact CG-CD1 3.99Å; L360-L380 HydrophobicContact CD2-CB 3.85Å; L360-L380 HydrophobicContact CD2-CD1 3.92Å; L360-L380 HydrophobicContact CG-CD1 4.11Å; L380-S382 PolarHBondContact O-N 3.44Å
381	Q	92.7	Very high	89.4	Confident	66 Å²	66	56.1 Å²	56.1	31%	0.308	29%	0.286	S	S	.	.			trans	-66.2	131.4	174.4	-68.3	-167.7	-16.9	0	0	110.7	F358 I359 E361 V379 T383	F358-Q381 WeakPolarHBondContact CD1-O 3.44Å; I359-Q381 HydrophobicContact CB-CG 4.35Å; I359-Q381 PolarHBondContact O-N 2.81Å; E361-Q381 HydrophobicContact CB-CG 4.35Å; E361-Q381 PolarHBondContact OE2-NE2 3.21Å; V379-Q381 PolarHBondContact O-N 2.96Å; Q381-T383 PolarHBondContact O-N 2.85Å
382	S	87.3	Confident	90.3	Very high	113 Å²	113	54.6 Å²	54.6	79%	0.79	28%	0.279	S	S	*	.	S	Bend	trans	-64	-25.8	-174.4	59.1	0	0	0	0	114.4	L380	L380-S382 PolarHBondContact O-N 3.44Å
383	T	88.8	Confident	91.2	Very high	60 Å²	60	56.3 Å²	56.3	37%	0.368	29%	0.285	S	S	.	.	S	Bend	trans	-105.8	128.6	179.1	-51.6	0	0	0	0	109.1	R21 Q381	R21-T383 PolarHBondContact NH1-OG1 3.4Å; Q381-T383 PolarHBondContact O-N 2.85Å
384	P	92.1	Very high	92.1	Very high	39 Å²	39	51.6 Å²	51.6	25%	0.253	27%	0.265	S	S	.	.			trans	-64.7	141.4	173.1	26.1	-32.9	0	0	0	111	A356 V357 F358	A356-P384 HydrophobicContact CB-CB 3.57Å; A356-P384 HydrophobicContact CB-CG 4.29Å; V357-P384 CarbonylContact O-C 3.59Å; V357-P384 WeakPolarHBondContact O-CA 3.39Å; F358-P384 HydrophobicContact CD1-CB 4.21Å; F358-P384 HydrophobicContact CD2-CB 4.44Å; F358-P384 HydrophobicContact CE1-CB 3.8Å; F358-P384 HydrophobicContact CE1-CG 4.36Å; F358-P384 HydrophobicContact CE2-CB 4.07Å; F358-P384 HydrophobicContact CZ-CB 3.72Å; F358-P384 HydrophobicContact CZ-CG 4.24Å
385	L	91.7	Very high	92.8	Very high	24 Å²	24	51.3 Å²	51.3	13%	0.126	26%	0.263	C	S	.	.	S	Bend	trans	-65.6	-43.5	173.6	-177.9	70.5	0	0	0	110.7	T24 F336 V357 I359 V407	T24-L385 HydrophobicContact CG2-CD1 4.36Å; F336-L385 HydrophobicContact CZ-CD1 4.04Å; F336-L385 HydrophobicContact CZ-CD2 4.27Å; V357-L385 PolarHBondContact O-N 3.24Å; I359-L385 HydrophobicContact CD1-CD2 4.33Å; I359-L385 HydrophobicContact CG1-CD2 4.49Å; L385-V407 HydrophobicContact CD2-CB 3.81Å; L385-V407 HydrophobicContact CD2-CG1 4.18Å; L385-V407 HydrophobicContact CD2-CG2 3.41Å; L385-V407 VanDerWaalsContact CD2-CG2 3.41Å
386	Y	93.6	Very high	93.4	Very high	41 Å²	41	47.8 Å²	47.8	16%	0.161	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	137.5	179.9	-176.4	-105.5	0	0	0	110.5	V26 A356 V357 V391 V409 E411 I424	V26-Y386 HydrophobicContact CG2-CE2 4.18Å; A356-Y386 CarbonylContact C-O 3.55Å; A356-Y386 WeakPolarHBondContact CA-O 3.2Å; A356-Y386 WeakPolarHBondContact CB-O 3.23Å; V357-Y386 HydrophobicContact CG2-CD1 4.49Å; V357-Y386 PolarHBondContact N-O 2.88Å; Y386-V391 HydrophobicContact CD1-CG2 3.77Å; Y386-V391 HydrophobicContact CE1-CG2 3.82Å; Y386-V409 HydrophobicContact CD1-CG1 4.02Å; Y386-V409 HydrophobicContact CD1-CG2 4.32Å; Y386-V409 HydrophobicContact CE1-CG1 4.17Å; Y386-E411 PolarHBondContact OH-OE1 3.21Å; Y386-I424 HydrophobicContact CD1-CD1 4.05Å; Y386-I424 HydrophobicContact CD2-CD1 3.41Å; Y386-I424 VanDerWaalsContact CD2-CD1 3.41Å; Y386-I424 HydrophobicContact CE2-CD1 4.04Å; Y386-I424 HydrophobicContact CG-CD1 3.4Å; Y386-I424 VanDerWaalsContact CG-CD1 3.4Å
387	K	93.5	Very high	93.5	Very high	133 Å²	133	46.5 Å²	46.5	58%	0.578	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	120.8	-178	-174.6	176.7	-178.2	-179.5	0	111	A356	A356-K387 HydrophobicContact CB-CB 4.23Å; A356-K387 HydrophobicContact CB-CG 4.24Å
388	S	93	Very high	93.4	Very high	20 Å²	20	44.7 Å²	44.7	14%	0.14	23%	0.227	C	C	.	.			trans	-162	141.9	173.4	166.2	0	0	0	0	109	R355 Y390 V391 E411	R355-S388 CarbonylContact C-O 3.49Å; R355-S388 WeakPolarHBondContact CB-O 3.36Å; R355-S388 CarbonylContact O-C 3.55Å; R355-S388 PolarHBondContact O-N 2.89Å; R355-S388 VanDerWaalsContact O-N 3.08Å; S388-Y390 PolarHBondContact O-N 3.19Å; S388-Y390 VanDerWaalsContact O-N 3.16Å; S388-Y390 PolarHBondContact OG-N 2.9Å; S388-V391 WeakPolarHBondContact O-CG2 3.38Å; S388-V391 PolarHBondContact O-N 2.88Å; S388-E411 WeakPolarHBondContact CB-OE1 3.23Å; S388-E411 PolarHBondContact OG-OE1 2.73Å
389	R	93.3	Very high	93	Very high	125 Å²	125	44.4 Å²	44.4	47%	0.472	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.9	177.5	66	174.7	-68.6	164.4	-2.5	113.7	E414	R389-E414 IonicContact CZ-OE1 2.82Å; R389-E414 IonicContact NE-OE1 3.59Å; R389-E414 IonicContact NH2-OE1 3.6Å; R389-E414 PolarHBondContact NH2-OE1 2.82Å; R389-E414 IonicContact NH2-OE2 2.65Å; R389-E414 PolarHBondContact NH2-OE2 3.32Å
390	Y	93.7	Very high	92.4	Very high	77 Å²	77	44.1 Å²	44.1	30%	0.302	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-5.2	-176.2	-56.4	-61.6	0	0	0	113.6	S388 E392 E411 R412 K413	S388-Y390 PolarHBondContact O-N 3.19Å; S388-Y390 VanDerWaalsContact O-N 3.16Å; S388-Y390 PolarHBondContact OG-N 2.9Å; Y390-E392 PolarHBondContact O-N 3.03Å; Y390-E411 CarbonylContact O-C 3.57Å; Y390-E411 VanDerWaalsContact O-CA 3.24Å; Y390-E411 WeakPolarHBondContact O-CA 3.4Å; Y390-R412 PolarHBondContact O-N 2.83Å; Y390-K413 HydrophobicContact CD1-CG 4.25Å; Y390-K413 HydrophobicContact CE1-CG 4.44Å; Y390-K413 HydrophobicContact CG-CG 4.3Å
391	V	94.4	Very high	91.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	133.6	178.1	178.4	0	0	0	0	110	V347 R355 V357 Y386 S388 V409	V347-V391 HydrophobicContact CB-CG1 4.43Å; V347-V391 HydrophobicContact CG1-CB 4.44Å; V347-V391 HydrophobicContact CG1-CG1 3.59Å; V347-V391 HydrophobicContact CG2-CG1 3.9Å; R355-V391 HydrophobicContact CB-CB 4.16Å; R355-V391 WeakPolarHBondContact CD-O 3.49Å; R355-V391 PolarHBondContact NH1-O 3.23Å; V357-V391 HydrophobicContact CG2-CG1 3.82Å; Y386-V391 HydrophobicContact CD1-CG2 3.77Å; Y386-V391 HydrophobicContact CE1-CG2 3.82Å; S388-V391 WeakPolarHBondContact O-CG2 3.38Å; S388-V391 PolarHBondContact O-N 2.88Å; V391-V409 HydrophobicContact CB-CG1 4.4Å; V391-V409 HydrophobicContact CG1-CG1 3.91Å; V391-V409 HydrophobicContact CG2-CG1 3.9Å
392	E	92.6	Very high	91.3	Very high	59 Å²	59	42.8 Å²	42.8	28%	0.276	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	-46.8	173	-64.4	-160.1	144.7	0	0	111.5	Y390 L410 R412	Y390-E392 PolarHBondContact O-N 3.03Å; E392-L410 HydrophobicContact CB-CD2 4.32Å; E392-L410 HydrophobicContact CB-CG 4.41Å; E392-L410 PolarHBondContact N-O 3.05Å; E392-R412 HydrophobicContact CG-CB 3.87Å; E392-R412 VanDerWaalsContact OE1-CB 3.31Å; E392-R412 WeakPolarHBondContact OE1-CB 3.35Å; E392-R412 VanDerWaalsContact OE1-CD 3.28Å; E392-R412 WeakPolarHBondContact OE1-CD 3.31Å; E392-R412 IonicContact OE1-NE 3.46Å; E392-R412 WeakPolarHBondContact OE2-CB 3.47Å; E392-R412 WeakPolarHBondContact OE2-CD 3.49Å; E392-R412 IonicContact OE2-CZ 3.49Å; E392-R412 IonicContact OE2-NE 4Å; E392-R412 PolarHBondContact OE2-NE 3.27Å; E392-R412 IonicContact OE2-NH2 2.98Å
393	E	94	Very high	91.2	Very high	53 Å²	53	37.4 Å²	37.4	25%	0.248	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160.8	-175.9	-65	-174.4	-141.8	0	0	111.1	R332 V409 L410 R489	R332-E393 IonicContact NH2-OE2 3.31Å; R332-E393 PolarHBondContact NH2-OE2 2.77Å; E393-V409 WeakPolarHBondContact O-CA 3.25Å; E393-L410 HydrophobicContact CB-CB 4.13Å; E393-L410 HydrophobicContact CB-CD2 4.45Å; E393-L410 PolarHBondContact O-N 3.36Å; E393-R489 IonicContact OE1-NH1 3.13Å; E393-R489 PolarHBondContact OE1-NH1 3.35Å; E393-R489 IonicContact OE2-CZ 2.67Å; E393-R489 IonicContact OE2-NH1 3.84Å; E393-R489 PolarHBondContact OE2-NH1 3Å
394	A	95.4	Very high	91.2	Very high	10 Å²	10	35.7 Å²	35.7	8%	0.083	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	150.7	170.6	0	0	0	0	0	110.6	V345 V347 V357 V407 V408 V409	V345-A394 HydrophobicContact CG2-CB 3.76Å; V347-A394 HydrophobicContact CG2-CB 4.09Å; V357-A394 HydrophobicContact CB-CB 4.46Å; V357-A394 HydrophobicContact CG1-CB 3.67Å; V357-A394 HydrophobicContact CG2-CB 3.91Å; A394-V407 HydrophobicContact CB-CG1 4.12Å; A394-V408 CarbonylContact C-O 3.55Å; A394-V408 VanDerWaalsContact CA-O 3.24Å; A394-V408 WeakPolarHBondContact CA-O 3.28Å; A394-V409 HydrophobicContact CB-CG2 4.4Å
395	S	96.4	Very high	91.2	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	166.9	172.1	63.3	0	0	0	0	110.1	R332 V407 V408	R332-S395 VanDerWaalsContact CD-CB 3.49Å; S395-V407 WeakPolarHBondContact O-CA 3.39Å; S395-V408 PolarHBondContact N-O 3.36Å; S395-V408 PolarHBondContact O-N 2.86Å; S395-V408 WeakPolarHBondContact OG-CG1 3.37Å
396	F	96.5	Very high	91.2	Very high	5 Å²	5	33.1 Å²	33.1	2%	0.022	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	154.7	173.9	-62.4	-68.4	0	0	0	111.5	A333 F336 V345 I359 L405 D406 V407	A333-F396 VanDerWaalsContact C-CD2 3.48Å; A333-F396 WeakPolarHBondContact O-CD2 3.2Å; F336-F396 HydrophobicContact CB-CD1 4.48Å; F336-F396 HydrophobicContact CB-CE1 3.68Å; F336-F396 HydrophobicContact CB-CZ 4.08Å; F336-F396 AromaticContact CD2-CD1 4Å; F336-F396 HydrophobicContact CD2-CD1 4Å; F336-F396 AromaticContact CD2-CE1 3.62Å; F336-F396 HydrophobicContact CD2-CE1 3.62Å; F336-F396 AromaticContact CG-CE1 3.85Å; F336-F396 HydrophobicContact CG-CE1 3.85Å; V345-F396 HydrophobicContact CB-CE1 4.16Å; V345-F396 HydrophobicContact CB-CE2 3.89Å; V345-F396 HydrophobicContact CB-CZ 3.64Å; V345-F396 HydrophobicContact CG1-CD2 4.02Å; V345-F396 HydrophobicContact CG1-CE1 4.47Å; V345-F396 HydrophobicContact CG1-CE2 3.67Å; V345-F396 HydrophobicContact CG1-CZ 3.93Å; I359-F396 HydrophobicContact CD1-CE1 3.95Å; I359-F396 HydrophobicContact CD1-CZ 4.09Å; F396-L405 HydrophobicContact CB-CB 4.37Å; F396-L405 HydrophobicContact CB-CD1 4.1Å; F396-L405 HydrophobicContact CB-CD2 4.5Å; F396-L405 HydrophobicContact CD1-CB 4.3Å; F396-L405 HydrophobicContact CG-CD1 4.28Å; F396-D406 CarbonylContact C-O 3.6Å; F396-D406 VanDerWaalsContact CA-O 3.3Å; F396-D406 WeakPolarHBondContact CA-O 3.29Å; F396-V407 HydrophobicContact CD1-CG2 3.93Å; F396-V407 HydrophobicContact CE1-CG2 4.02Å
397	F	95.3	Very high	91.3	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.018	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	142.3	173.5	-171.5	-92.5	0	0	0	109.4	Y37 T46 L48 F69 L399 D406 V408 F423 L493	Y37-F397 HydrophobicContact CD1-CD2 4.07Å; Y37-F397 AromaticContact CD1-CE2 3.68Å; Y37-F397 HydrophobicContact CD1-CE2 3.68Å; Y37-F397 AromaticContact CE1-CD2 3.52Å; Y37-F397 HydrophobicContact CE1-CD2 3.52Å; Y37-F397 AromaticContact CE1-CE2 3.56Å; Y37-F397 HydrophobicContact CE1-CE2 3.56Å; Y37-F397 AromaticContact CZ-CD2 3.91Å; T46-F397 HydrophobicContact CG2-CE2 3.75Å; T46-F397 HydrophobicContact CG2-CZ 4.09Å; L48-F397 HydrophobicContact CD2-CE2 4.18Å; L48-F397 HydrophobicContact CD2-CZ 4.31Å; F69-F397 HydrophobicContact CZ-CE1 4.23Å; F69-F397 HydrophobicContact CZ-CZ 4.31Å; F397-L399 HydrophobicContact CD1-CB 4.32Å; F397-L399 HydrophobicContact CE1-CD1 4.44Å; F397-L399 PolarHBondContact O-N 3.44Å; F397-D406 PolarHBondContact N-O 2.71Å; F397-D406 CarbonylContact O-C 3.55Å; F397-D406 WeakPolarHBondContact O-CA 3.33Å; F397-D406 WeakPolarHBondContact O-CB 3.39Å; F397-D406 PolarHBondContact O-N 3.07Å; F397-V408 HydrophobicContact CB-CG1 4.42Å; F397-F423 HydrophobicContact CB-CE1 4.33Å; F397-F423 AromaticContact CD1-CD1 3.92Å; F397-F423 HydrophobicContact CD1-CD1 3.92Å; F397-F423 AromaticContact CD1-CE1 3.57Å; F397-F423 HydrophobicContact CD1-CE1 3.57Å; F397-F423 HydrophobicContact CD2-CE1 4.38Å; F397-F423 HydrophobicContact CE1-CD1 4.47Å; F397-F423 AromaticContact CE1-CE1 3.91Å; F397-F423 HydrophobicContact CE1-CE1 3.91Å; F397-F423 HydrophobicContact CG-CD1 4.38Å; F397-F423 AromaticContact CG-CE1 3.83Å; F397-F423 HydrophobicContact CG-CE1 3.83Å; F397-F423 HydrophobicContact CZ-CE1 4.44Å; F397-L493 HydrophobicContact CD2-CD2 3.76Å; F397-L493 HydrophobicContact CE2-CD2 4.48Å
398	D	91.1	Very high	91.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.			trans	-90.9	85.8	175.1	175.3	26.1	0	0	0	110.3	E401 T402 G403 S404 L405 K436 Y495 V497	D398-E401 PolarHBondContact O-N 3.45Å; D398-E401 VanDerWaalsContact OD1-C 3.26Å; D398-E401 WeakPolarHBondContact OD1-CA 3.39Å; D398-E401 WeakPolarHBondContact OD2-CA 3.29Å; D398-T402 PolarHBondContact OD1-N 3.28Å; D398-T402 PolarHBondContact OD1-OG1 3.09Å; D398-G403 PolarHBondContact OD1-N 2.72Å; D398-G403 PolarHBondContact OD2-N 2.79Å; D398-S404 VanDerWaalsContact OD1-O 3.12Å; D398-L405 HydrophobicContact CB-CD2 4.37Å; D398-K436 IonicContact OD2-NZ 3.93Å; D398-K436 PolarHBondContact OD2-NZ 2.87Å; D398-Y495 HydrophobicContact CB-CE2 3.96Å; D398-Y495 WeakPolarHBondContact CB-OH 3.09Å; D398-Y495 PolarHBondContact N-OH 2.88Å; D398-V497 HydrophobicContact CB-CG2 4.49Å
399	L	87.9	Confident	91.5	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-71.6	148.3	177.8	-170.5	75.4	0	0	0	108.9	T27 T28 G66 F69 F397 E401 D406 F423	T27-L399 HydrophobicContact CG2-CD2 3.65Å; T28-L399 HydrophobicContact CG2-CD1 4.36Å; G66-L399 WeakPolarHBondContact O-CD1 3.32Å; F69-L399 HydrophobicContact CE2-CD1 3.87Å; F69-L399 HydrophobicContact CZ-CD1 4.11Å; F397-L399 HydrophobicContact CD1-CB 4.32Å; F397-L399 HydrophobicContact CE1-CD1 4.44Å; F397-L399 PolarHBondContact O-N 3.44Å; L399-E401 PolarHBondContact O-N 2.88Å; L399-D406 HydrophobicContact CB-CB 4.4Å; L399-D406 WeakPolarHBondContact CB-OD2 3.25Å; L399-D406 PolarHBondContact N-OD2 3.2Å; L399-D406 VanDerWaalsContact N-OD2 3.09Å; L399-F423 HydrophobicContact CD1-CB 4.24Å; L399-F423 HydrophobicContact CD1-CD1 3.86Å; L399-F423 HydrophobicContact CD1-CE1 4.44Å; L399-F423 HydrophobicContact CD1-CG 4.1Å; L399-F423 HydrophobicContact CD2-CB 3.96Å
400	M	81.7	Confident	91.6	Very high	61 Å²	61	18.5 Å²	18.5	30%	0.3	9%	0.094	S	C	.	.	G	3₁₀ helix	trans	61.2	2.4	-173.8	-49.7	171.8	57.3	0	0	113.7	G66 E67 T402	G66-M400 WeakPolarHBondContact O-CA 3.09Å; G66-M400 PolarHBondContact O-N 3.4Å; E67-M400 HydrophobicContact CB-CG 4.39Å; E67-M400 HydrophobicContact CG-CE 3.74Å; E67-M400 HydrophobicContact CG-CG 3.56Å; E67-M400 HydrophobicContact CG-SD 3.73Å; E67-M400 WeakPolarHBondContact OE1-CE 3.39Å; M400-T402 HydrophobicContact CB-CG2 3.9Å; M400-T402 PolarHBondContact O-N 2.77Å
401	E	82.4	Confident	91.7	Very high	6 Å²	6	15.7 Å²	15.7	3%	0.028	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	56.7	37	178.2	-57.8	-86.9	146	0	0	112.9	D398 L399 G403 K436 R532 M553	D398-E401 PolarHBondContact O-N 3.45Å; D398-E401 VanDerWaalsContact OD1-C 3.26Å; D398-E401 WeakPolarHBondContact OD1-CA 3.39Å; D398-E401 WeakPolarHBondContact OD2-CA 3.29Å; L399-E401 PolarHBondContact O-N 2.88Å; E401-G403 PolarHBondContact O-N 2.64Å; E401-K436 VanDerWaalsContact CD-NZ 3.28Å; E401-K436 IonicContact OE1-NZ 2.7Å; E401-K436 IonicContact OE2-NZ 3.74Å; E401-K436 PolarHBondContact OE2-NZ 2.86Å; E401-R532 PolarHBondContact O-NE 3.08Å; E401-R532 PolarHBondContact O-NH2 2.88Å; E401-R532 IonicContact OE2-CZ 2.7Å; E401-R532 IonicContact OE2-NH1 2.79Å; E401-R532 PolarHBondContact OE2-NH1 3.17Å; E401-M553 HydrophobicContact CB-CE 4.37Å; E401-M553 HydrophobicContact CB-SD 3.94Å; E401-M553 HydrophobicContact CG-CE 3.91Å; E401-M553 HydrophobicContact CG-SD 4.12Å
402	T	82.1	Confident	91.6	Very high	66 Å²	66	18.1 Å²	18.1	41%	0.405	9%	0.093	S	C	.	.			trans	-71.2	-13.9	-174.3	59.3	0	0	0	0	113.9	D398 M400 S404 F434	D398-T402 PolarHBondContact OD1-N 3.28Å; D398-T402 PolarHBondContact OD1-OG1 3.09Å; M400-T402 HydrophobicContact CB-CG2 3.9Å; M400-T402 PolarHBondContact O-N 2.77Å; T402-S404 VanDerWaalsContact C-N 3.29Å; T402-S404 PolarHBondContact OG1-N 2.98Å; T402-F434 WeakPolarHBondContact O-CE1 3.37Å; T402-F434 WeakPolarHBondContact O-CZ 3.42Å
403	G	86.3	Confident	91.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	79.2	16	-169.6	0	0	0	0	0	112.8	D398 E401 F434 V497	D398-G403 PolarHBondContact OD1-N 2.72Å; D398-G403 PolarHBondContact OD2-N 2.79Å; E401-G403 PolarHBondContact O-N 2.64Å; G403-F434 WeakPolarHBondContact O-CB 3.47Å; G403-F434 WeakPolarHBondContact O-CG 3.38Å; G403-V497 WeakPolarHBondContact O-CG1 3.3Å
404	S	87.2	Confident	90.5	Very high	23 Å²	23	23.1 Å²	23.1	16%	0.161	12%	0.115	C	C	.	.	S	Bend	trans	-122.2	135.5	171.4	-62.8	0	0	0	0	108.5	D398 T402 D406	D398-S404 VanDerWaalsContact OD1-O 3.12Å; T402-S404 VanDerWaalsContact C-N 3.29Å; T402-S404 PolarHBondContact OG1-N 2.98Å; S404-D406 PolarHBondContact O-N 2.82Å
405	L	92.6	Very high	89.3	Confident	7 Å²	7	28.7 Å²	28.7	4%	0.037	15%	0.148	C	C	.	.			trans	-76.6	122.9	-178.8	-65.4	-178.3	0	0	0	110.7	F336 F396 D398 L493 V497	F336-L405 VanDerWaalsContact CD2-O 3.25Å; F336-L405 WeakPolarHBondContact CD2-O 3.45Å; F336-L405 VanDerWaalsContact CE2-O 3.31Å; F336-L405 WeakPolarHBondContact CE2-O 3.38Å; F396-L405 HydrophobicContact CB-CB 4.37Å; F396-L405 HydrophobicContact CB-CD1 4.1Å; F396-L405 HydrophobicContact CB-CD2 4.5Å; F396-L405 HydrophobicContact CD1-CB 4.3Å; F396-L405 HydrophobicContact CG-CD1 4.28Å; D398-L405 HydrophobicContact CB-CD2 4.37Å; L405-L493 HydrophobicContact CD2-CD1 4.03Å; L405-V497 HydrophobicContact CD2-CB 4.21Å; L405-V497 HydrophobicContact CD2-CG2 4.06Å; L405-V497 HydrophobicContact CG-CB 4.49Å
406	D	92.3	Very high	87.9	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.011	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-177.7	164.4	-61.4	-56.7	0	0	0	110.4	F396 F397 L399 S404 I424 S425 S426	F396-D406 CarbonylContact C-O 3.6Å; F396-D406 VanDerWaalsContact CA-O 3.3Å; F396-D406 WeakPolarHBondContact CA-O 3.29Å; F397-D406 PolarHBondContact N-O 2.71Å; F397-D406 CarbonylContact O-C 3.55Å; F397-D406 WeakPolarHBondContact O-CA 3.33Å; F397-D406 WeakPolarHBondContact O-CB 3.39Å; F397-D406 PolarHBondContact O-N 3.07Å; L399-D406 HydrophobicContact CB-CB 4.4Å; L399-D406 WeakPolarHBondContact CB-OD2 3.25Å; L399-D406 PolarHBondContact N-OD2 3.2Å; L399-D406 VanDerWaalsContact N-OD2 3.09Å; S404-D406 PolarHBondContact O-N 2.82Å; D406-I424 WeakPolarHBondContact CB-O 3.27Å; D406-S425 WeakPolarHBondContact OD1-CA 3.25Å; D406-S425 PolarHBondContact OD1-OG 3.13Å; D406-S426 PolarHBondContact OD1-N 3.16Å
407	V	95	Very high	86.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.6	178	177.2	0	0	0	0	110.6	F336 V357 L385 A394 S395 F396 V409 I424	F336-V407 HydrophobicContact CD2-CG2 4.33Å; F336-V407 HydrophobicContact CE2-CG2 3.9Å; V357-V407 HydrophobicContact CG1-CG1 4.32Å; L385-V407 HydrophobicContact CD2-CB 3.81Å; L385-V407 HydrophobicContact CD2-CG1 4.18Å; L385-V407 HydrophobicContact CD2-CG2 3.41Å; L385-V407 VanDerWaalsContact CD2-CG2 3.41Å; A394-V407 HydrophobicContact CB-CG1 4.12Å; S395-V407 WeakPolarHBondContact O-CA 3.39Å; F396-V407 HydrophobicContact CD1-CG2 3.93Å; F396-V407 HydrophobicContact CE1-CG2 4.02Å; V407-V409 HydrophobicContact CG1-CG2 3.9Å; V407-I424 PolarHBondContact N-O 3.08Å; V407-I424 WeakPolarHBondContact O-CB 3.31Å; V407-I424 PolarHBondContact O-N 3.41Å
408	V	95.8	Very high	86.6	Confident	7 Å²	7	45.2 Å²	45.2	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.2	166.3	64.6	0	0	0	0	109.7	I34 A394 S395 F397 I422 F423	I34-V408 HydrophobicContact CD1-CG2 3.74Å; A394-V408 CarbonylContact C-O 3.55Å; A394-V408 VanDerWaalsContact CA-O 3.24Å; A394-V408 WeakPolarHBondContact CA-O 3.28Å; S395-V408 PolarHBondContact N-O 3.36Å; S395-V408 PolarHBondContact O-N 2.86Å; S395-V408 WeakPolarHBondContact OG-CG1 3.37Å; F397-V408 HydrophobicContact CB-CG1 4.42Å; V408-I422 CarbonylContact C-O 3.56Å; V408-I422 WeakPolarHBondContact CA-O 3.24Å; V408-F423 HydrophobicContact CB-CD1 4.11Å; V408-F423 HydrophobicContact CB-CE1 4.1Å; V408-F423 HydrophobicContact CG2-CD1 4.18Å; V408-F423 HydrophobicContact CG2-CD2 4.33Å; V408-F423 HydrophobicContact CG2-CE1 4.01Å; V408-F423 HydrophobicContact CG2-CE2 4.16Å; V408-F423 HydrophobicContact CG2-CG 4.34Å; V408-F423 HydrophobicContact CG2-CZ 4Å
409	V	96	Very high	86.7	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.4	-176.9	-179.8	0	0	0	0	109.4	V357 Y386 V391 E393 A394 V407 E411 S421 I422 I424	V357-V409 HydrophobicContact CG2-CG1 4.16Å; V357-V409 HydrophobicContact CG2-CG2 3.86Å; Y386-V409 HydrophobicContact CD1-CG1 4.02Å; Y386-V409 HydrophobicContact CD1-CG2 4.32Å; Y386-V409 HydrophobicContact CE1-CG1 4.17Å; V391-V409 HydrophobicContact CB-CG1 4.4Å; V391-V409 HydrophobicContact CG1-CG1 3.91Å; V391-V409 HydrophobicContact CG2-CG1 3.9Å; E393-V409 WeakPolarHBondContact O-CA 3.25Å; A394-V409 HydrophobicContact CB-CG2 4.4Å; V407-V409 HydrophobicContact CG1-CG2 3.9Å; V409-E411 HydrophobicContact CG1-CG 4.45Å; V409-S421 CarbonylContact O-C 3.53Å; V409-S421 WeakPolarHBondContact O-CA 3.22Å; V409-I422 PolarHBondContact N-O 3.43Å; V409-I422 PolarHBondContact O-N 3.16Å; V409-I424 HydrophobicContact CB-CD1 4.26Å; V409-I424 HydrophobicContact CG2-CD1 3.44Å; V409-I424 VanDerWaalsContact CG2-CD1 3.44Å; V409-I424 HydrophobicContact CG2-CG1 4.24Å
410	L	95.5	Very high	87	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	120.3	169.8	179.5	63.5	0	0	0	109.2	E33 E392 E393 A419	E33-L410 HydrophobicContact CB-CD1 3.94Å; E33-L410 HydrophobicContact CG-CD1 4.03Å; E33-L410 HydrophobicContact CG-CD2 3.85Å; E392-L410 HydrophobicContact CB-CD2 4.32Å; E392-L410 HydrophobicContact CB-CG 4.41Å; E392-L410 PolarHBondContact N-O 3.05Å; E393-L410 HydrophobicContact CB-CB 4.13Å; E393-L410 HydrophobicContact CB-CD2 4.45Å; E393-L410 PolarHBondContact O-N 3.36Å; L410-A419 HydrophobicContact CD1-CB 4.07Å
411	E	94.6	Very high	87.7	Confident	19 Å²	19	44.8 Å²	44.8	9%	0.089	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	140.1	166.9	-68.3	-160.2	142.6	0	0	111.5	Y386 S388 Y390 V409 A419 V420 I422	Y386-E411 PolarHBondContact OH-OE1 3.21Å; S388-E411 WeakPolarHBondContact CB-OE1 3.23Å; S388-E411 PolarHBondContact OG-OE1 2.73Å; Y390-E411 CarbonylContact O-C 3.57Å; Y390-E411 VanDerWaalsContact O-CA 3.24Å; Y390-E411 WeakPolarHBondContact O-CA 3.4Å; V409-E411 HydrophobicContact CG1-CG 4.45Å; E411-A419 CarbonylContact O-C 3.42Å; E411-A419 VanDerWaalsContact O-CA 3.28Å; E411-A419 WeakPolarHBondContact O-CA 3.37Å; E411-V420 PolarHBondContact N-O 3.3Å; E411-V420 PolarHBondContact O-N 2.91Å; E411-I422 HydrophobicContact CB-CD1 4.38Å; E411-I422 VanDerWaalsContact CD-CD1 3.49Å; E411-I422 HydrophobicContact CG-CD1 3.72Å; E411-I422 WeakPolarHBondContact OE2-CD1 3.35Å
412	R	92.2	Very high	88.4	Confident	51 Å²	51	44.6 Å²	44.6	19%	0.192	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118	171.3	-168.8	175.6	-63	-85.1	-3.7	111.1	E33 Y390 E392 E414 N417 Q418	E33-R412 IonicContact OE2-NH2 3.85Å; E33-R412 PolarHBondContact OE2-NH2 2.96Å; Y390-R412 PolarHBondContact O-N 2.83Å; E392-R412 HydrophobicContact CG-CB 3.87Å; E392-R412 VanDerWaalsContact OE1-CB 3.31Å; E392-R412 WeakPolarHBondContact OE1-CB 3.35Å; E392-R412 VanDerWaalsContact OE1-CD 3.28Å; E392-R412 WeakPolarHBondContact OE1-CD 3.31Å; E392-R412 IonicContact OE1-NE 3.46Å; E392-R412 WeakPolarHBondContact OE2-CB 3.47Å; E392-R412 WeakPolarHBondContact OE2-CD 3.49Å; E392-R412 IonicContact OE2-CZ 3.49Å; E392-R412 IonicContact OE2-NE 4Å; E392-R412 PolarHBondContact OE2-NE 3.27Å; E392-R412 IonicContact OE2-NH2 2.98Å; R412-E414 PolarHBondContact O-N 3.29Å; R412-N417 VanDerWaalsContact CD-OD1 3.25Å; R412-N417 WeakPolarHBondContact CD-OD1 3.24Å; R412-N417 PolarHBondContact NH1-OD1 3.17Å; R412-N417 VanDerWaalsContact NH1-OD1 3.14Å; R412-Q418 WeakPolarHBondContact CA-O 3.31Å
413	K	87	Confident	88.9	Confident	92 Å²	92	41.4 Å²	41.4	40%	0.4	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	117.9	177.8	-69.3	-179.5	-178.9	174.5	0	110.7	Y390 T415 K416 N417 Q418	Y390-K413 HydrophobicContact CD1-CG 4.25Å; Y390-K413 HydrophobicContact CE1-CG 4.44Å; Y390-K413 HydrophobicContact CG-CG 4.3Å; K413-T415 PolarHBondContact O-N 2.8Å; K413-T415 VanDerWaalsContact O-N 3.13Å; K413-K416 PolarHBondContact O-N 2.74Å; K413-N417 PolarHBondContact O-N 3.19Å; K413-Q418 PolarHBondContact N-O 3.1Å; K413-Q418 VanDerWaalsContact N-O 3.08Å
414	E	76.8	Confident	89.2	Confident	125 Å²	125	41.4 Å²	41.4	58%	0.584	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.9	-42	179.5	-65.4	169.9	-154.9	0	0	113.1	R389 R412 K416	R389-E414 IonicContact CZ-OE1 2.82Å; R389-E414 IonicContact NE-OE1 3.59Å; R389-E414 IonicContact NH2-OE1 3.6Å; R389-E414 PolarHBondContact NH2-OE1 2.82Å; R389-E414 IonicContact NH2-OE2 2.65Å; R389-E414 PolarHBondContact NH2-OE2 3.32Å; R412-E414 PolarHBondContact O-N 3.29Å; E414-K416 PolarHBondContact O-N 3.3Å
415	T	71.3	Confident	89	Confident	127 Å²	127	40.9 Å²	40.9	78%	0.779	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-23	-171.4	57.3	0	0	0	0	115.2	K413	K413-T415 PolarHBondContact O-N 2.8Å; K413-T415 VanDerWaalsContact O-N 3.13Å
416	K	66.8	Low	88.1	Confident	143 Å²	143	40.8 Å²	40.8	62%	0.622	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128	-0.9	-174.4	-67.7	-172	175.9	-175.2	0	113.7	K413 E414 Q418	K413-K416 PolarHBondContact O-N 2.74Å; E414-K416 PolarHBondContact O-N 3.3Å; K416-Q418 HydrophobicContact CB-CB 4.15Å; K416-Q418 HydrophobicContact CB-CG 3.68Å; K416-Q418 VanDerWaalsContact CD-OE1 3.27Å; K416-Q418 PolarHBondContact O-N 3.32Å; K416-Q418 VanDerWaalsContact O-N 3.08Å
417	N	75.7	Confident	86.6	Confident	115 Å²	115	45 Å²	45	62%	0.615	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.7	34.8	-167.8	-164.1	17.6	0	0	0	112.5	R412 K413	R412-N417 VanDerWaalsContact CD-OD1 3.25Å; R412-N417 WeakPolarHBondContact CD-OD1 3.24Å; R412-N417 PolarHBondContact NH1-OD1 3.17Å; R412-N417 VanDerWaalsContact NH1-OD1 3.14Å; K413-N417 PolarHBondContact O-N 3.19Å
418	Q	87.4	Confident	84.9	Confident	100 Å²	100	47.2 Å²	47.2	47%	0.467	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	112.9	-178.6	-81.4	179.1	-19.2	0	0	108.8	R412 K413 K416	R412-Q418 WeakPolarHBondContact CA-O 3.31Å; K413-Q418 PolarHBondContact N-O 3.1Å; K413-Q418 VanDerWaalsContact N-O 3.08Å; K416-Q418 HydrophobicContact CB-CB 4.15Å; K416-Q418 HydrophobicContact CB-CG 3.68Å; K416-Q418 VanDerWaalsContact CD-OE1 3.27Å; K416-Q418 PolarHBondContact O-N 3.32Å; K416-Q418 VanDerWaalsContact O-N 3.08Å
419	A	93.7	Very high	82.8	Confident	15 Å²	15	51.6 Å²	51.6	12%	0.124	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	142.1	170.8	0	0	0	0	0	110.7	G32 E33 L410 E411	G32-A419 WeakPolarHBondContact CA-O 3.46Å; G32-A419 PolarHBondContact N-O 3.14Å; E33-A419 HydrophobicContact CB-CB 4.18Å; L410-A419 HydrophobicContact CD1-CB 4.07Å; E411-A419 CarbonylContact O-C 3.42Å; E411-A419 VanDerWaalsContact O-CA 3.28Å; E411-A419 WeakPolarHBondContact O-CA 3.37Å
420	V	95.5	Very high	80.9	Confident	35 Å²	35	56.3 Å²	56.3	21%	0.212	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	129.4	170.8	-179.4	0	0	0	0	108.1	R29 G32 E411 I422	R29-V420 HydrophobicContact CB-CG1 4.14Å; G32-V420 CarbonylContact O-C 3.56Å; E411-V420 PolarHBondContact N-O 3.3Å; E411-V420 PolarHBondContact O-N 2.91Å; V420-I422 HydrophobicContact CG1-CG1 4Å
421	S	96.5	Very high	79.6	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.014	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122	171.9	-57.7	0	0	0	0	108.7	R29 V30 G32 I34 V409	R29-S421 WeakPolarHBondContact CA-O 3.27Å; V30-S421 PolarHBondContact N-O 3.28Å; V30-S421 PolarHBondContact O-N 2.73Å; G32-S421 PolarHBondContact O-N 2.72Å; G32-S421 PolarHBondContact O-OG 3.29Å; I34-S421 PolarHBondContact N-OG 2.88Å; V409-S421 CarbonylContact O-C 3.53Å; V409-S421 WeakPolarHBondContact O-CA 3.22Å
422	I	95.3	Very high	78.9	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.1	-173.6	-55.6	-176	0	0	0	108.4	V26 R29 V408 V409 E411 V420 I424	V26-I422 HydrophobicContact CB-CG2 4.42Å; V26-I422 HydrophobicContact CG1-CG2 3.46Å; V26-I422 VanDerWaalsContact CG1-CG2 3.46Å; V26-I422 HydrophobicContact CG2-CG2 4.16Å; R29-I422 HydrophobicContact CG-CG1 4.24Å; R29-I422 HydrophobicContact CG-CG2 4.33Å; V408-I422 CarbonylContact C-O 3.56Å; V408-I422 WeakPolarHBondContact CA-O 3.24Å; V409-I422 PolarHBondContact N-O 3.43Å; V409-I422 PolarHBondContact O-N 3.16Å; E411-I422 HydrophobicContact CB-CD1 4.38Å; E411-I422 VanDerWaalsContact CD-CD1 3.49Å; E411-I422 HydrophobicContact CG-CD1 3.72Å; E411-I422 WeakPolarHBondContact OE2-CD1 3.35Å; V420-I422 HydrophobicContact CG1-CG1 4Å; I422-I424 HydrophobicContact CG2-CG1 4.17Å
423	F	94.2	Very high	78.6	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131	175.1	-65.9	-100.9	0	0	0	110	T27 T28 V30 I34 L48 F69 F397 L399 V408	T27-F423 PolarHBondContact N-O 3.4Å; T28-F423 HydrophobicContact CG2-CB 3.94Å; T28-F423 HydrophobicContact CG2-CD2 3.54Å; T28-F423 HydrophobicContact CG2-CE2 4.32Å; T28-F423 HydrophobicContact CG2-CG 3.93Å; T28-F423 PolarHBondContact O-N 2.74Å; V30-F423 HydrophobicContact CB-CE2 4.49Å; V30-F423 HydrophobicContact CG2-CD2 4.46Å; V30-F423 HydrophobicContact CG2-CE2 3.85Å; I34-F423 HydrophobicContact CD1-CE2 3.97Å; I34-F423 HydrophobicContact CD1-CZ 3.6Å; L48-F423 HydrophobicContact CD1-CE2 3.97Å; L48-F423 HydrophobicContact CD1-CZ 3.64Å; L48-F423 HydrophobicContact CD2-CZ 4.23Å; F69-F423 HydrophobicContact CD2-CE2 4.42Å; F69-F423 HydrophobicContact CE2-CD2 4.22Å; F69-F423 HydrophobicContact CE2-CE1 4.2Å; F69-F423 AromaticContact CE2-CE2 3.79Å; F69-F423 HydrophobicContact CE2-CE2 3.79Å; F69-F423 AromaticContact CE2-CZ 3.78Å; F69-F423 HydrophobicContact CE2-CZ 3.78Å; F69-F423 HydrophobicContact CZ-CE1 4.2Å; F69-F423 HydrophobicContact CZ-CE2 4.42Å; F69-F423 AromaticContact CZ-CZ 3.95Å; F69-F423 HydrophobicContact CZ-CZ 3.95Å; F397-F423 HydrophobicContact CB-CE1 4.33Å; F397-F423 AromaticContact CD1-CD1 3.92Å; F397-F423 HydrophobicContact CD1-CD1 3.92Å; F397-F423 AromaticContact CD1-CE1 3.57Å; F397-F423 HydrophobicContact CD1-CE1 3.57Å; F397-F423 HydrophobicContact CD2-CE1 4.38Å; F397-F423 HydrophobicContact CE1-CD1 4.47Å; F397-F423 AromaticContact CE1-CE1 3.91Å; F397-F423 HydrophobicContact CE1-CE1 3.91Å; F397-F423 HydrophobicContact CG-CD1 4.38Å; F397-F423 AromaticContact CG-CE1 3.83Å; F397-F423 HydrophobicContact CG-CE1 3.83Å; F397-F423 HydrophobicContact CZ-CE1 4.44Å; L399-F423 HydrophobicContact CD1-CB 4.24Å; L399-F423 HydrophobicContact CD1-CD1 3.86Å; L399-F423 HydrophobicContact CD1-CE1 4.44Å; L399-F423 HydrophobicContact CD1-CG 4.1Å; L399-F423 HydrophobicContact CD2-CB 3.96Å; V408-F423 HydrophobicContact CB-CD1 4.11Å; V408-F423 HydrophobicContact CB-CE1 4.1Å; V408-F423 HydrophobicContact CG2-CD1 4.18Å; V408-F423 HydrophobicContact CG2-CD2 4.33Å; V408-F423 HydrophobicContact CG2-CE1 4.01Å; V408-F423 HydrophobicContact CG2-CE2 4.16Å; V408-F423 HydrophobicContact CG2-CG 4.34Å; V408-F423 HydrophobicContact CG2-CZ 4Å
424	I	90.9	Very high	78.8	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	105.3	-172.7	-58.2	-173.8	0	0	0	108	T24 Y386 D406 V407 V409 I422	T24-I424 HydrophobicContact CG2-CB 4.49Å; T24-I424 HydrophobicContact CG2-CG2 2.99Å; Y386-I424 HydrophobicContact CD1-CD1 4.05Å; Y386-I424 HydrophobicContact CD2-CD1 3.41Å; Y386-I424 VanDerWaalsContact CD2-CD1 3.41Å; Y386-I424 HydrophobicContact CE2-CD1 4.04Å; Y386-I424 HydrophobicContact CG-CD1 3.4Å; Y386-I424 VanDerWaalsContact CG-CD1 3.4Å; D406-I424 WeakPolarHBondContact CB-O 3.27Å; V407-I424 PolarHBondContact N-O 3.08Å; V407-I424 WeakPolarHBondContact O-CB 3.31Å; V407-I424 PolarHBondContact O-N 3.41Å; V409-I424 HydrophobicContact CB-CD1 4.26Å; V409-I424 HydrophobicContact CG2-CD1 3.44Å; V409-I424 VanDerWaalsContact CG2-CD1 3.44Å; V409-I424 HydrophobicContact CG2-CG1 4.24Å; I422-I424 HydrophobicContact CG2-CG1 4.17Å
425	S	83.3	Confident	79.5	Confident	11 Å²	11	55.3 Å²	55.3	8%	0.077	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	136.5	178.9	-178.2	0	0	0	0	111.2	T24 I25 T27 D406	T24-S425 WeakPolarHBondContact CA-O 3.28Å; I25-S425 PolarHBondContact N-O 2.99Å; I25-S425 PolarHBondContact O-N 3.25Å; T27-S425 VanDerWaalsContact OG1-CB 3.23Å; T27-S425 WeakPolarHBondContact OG1-CB 3.39Å; D406-S425 WeakPolarHBondContact OD1-CA 3.25Å; D406-S425 PolarHBondContact OD1-OG 3.13Å
426	S	73.2	Confident	80.6	Confident	5 Å²	5	49.4 Å²	49.4	4%	0.035	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	95.7	177.5	-60.2	0	0	0	0	108.6	F336 D406 F428	F336-S426 WeakPolarHBondContact CE2-OG 3.17Å; F336-S426 VanDerWaalsContact CZ-OG 3.27Å; F336-S426 WeakPolarHBondContact CZ-OG 3.5Å; D406-S426 PolarHBondContact OD1-N 3.16Å; S426-F428 WeakPolarHBondContact O-CD2 3.49Å; S426-F428 PolarHBondContact O-N 2.92Å
427	L	61.5	Low	82	Confident	91 Å²	91	42.6 Å²	42.6	48%	0.476	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	95.8	177.8	-65.6	170.8	0	0	0	110.1	P22 I25	P22-L427 WeakPolarHBondContact CA-O 3.21Å; P22-L427 WeakPolarHBondContact CB-O 3.24Å; I25-L427 HydrophobicContact CD1-CD1 4.1Å
428	F	58.7	Low	82.9	Confident	47 Å²	47	38.5 Å²	38.5	21%	0.206	19%	0.191	C	C	.	.			trans	-70.5	129.5	168.7	-71.6	-83	0	0	0	110	P22 F336 N337 S426 F430	P22-F428 HydrophobicContact CG-CE1 4.35Å; P22-F428 HydrophobicContact CG-CZ 4.47Å; F336-F428 AromaticContact CD1-CZ 3.87Å; F336-F428 HydrophobicContact CD1-CZ 3.87Å; F336-F428 HydrophobicContact CD2-CZ 4.45Å; F336-F428 AromaticContact CE1-CZ 3.75Å; F336-F428 HydrophobicContact CE1-CZ 3.75Å; F336-F428 HydrophobicContact CE2-CE2 4.36Å; F336-F428 HydrophobicContact CE2-CZ 4.35Å; F336-F428 HydrophobicContact CG-CZ 4.23Å; F336-F428 HydrophobicContact CZ-CE2 4.35Å; F336-F428 HydrophobicContact CZ-CZ 4.01Å; F336-F428 WeakPolarHBondContact O-CE2 2.96Å; F336-F428 WeakPolarHBondContact O-CZ 3.36Å; N337-F428 HydrophobicContact CB-CE1 4.11Å; N337-F428 HydrophobicContact CB-CZ 4.44Å; S426-F428 WeakPolarHBondContact O-CD2 3.49Å; S426-F428 PolarHBondContact O-N 2.92Å; F428-F430 VanDerWaalsContact C-N 3.27Å
429	E	51.8	Low	83.3	Confident	98 Å²	98	33.8 Å²	33.8	46%	0.458	17%	0.169	S	C	.	.			trans	-82.1	-6.4	176.3	-71.1	-170.7	-170.4	0	0	113	Q20	Q20-E429 HydrophobicContact CB-CG 4.45Å; Q20-E429 WeakPolarHBondContact CB-OE2 3.47Å; Q20-E429 WeakPolarHBondContact CG-OE2 3.27Å; Q20-E429 PolarHBondContact OE1-OE1 3.07Å; Q20-E429 PolarHBondContact OE1-OE2 2.87Å
430	F	57.2	Low	83.3	Confident	100 Å²	100	33.3 Å²	33.3	44%	0.439	16%	0.164	S	C	.	.	S	Bend	trans	-89	137	-177.5	-61.1	-65.6	0	0	0	111.4	F428 T432	F428-F430 VanDerWaalsContact C-N 3.27Å; F430-T432 HydrophobicContact CB-CG2 4.19Å; F430-T432 PolarHBondContact O-N 2.93Å
431	E	67.6	Low	83.2	Confident	184 Å²	184	31.7 Å²	31.7	86%	0.86	15%	0.154	S	C	*	.			trans	-69.5	78.2	165.9	-63.4	-178	171.8	0	0	109
432	T	80.4	Confident	82.9	Confident	35 Å²	35	31.7 Å²	31.7	22%	0.215	16%	0.155	C	C	.	.			trans	-92.4	151.5	167.3	54.5	0	0	0	0	109.8	F430 G501	F430-T432 HydrophobicContact CB-CG2 4.19Å; F430-T432 PolarHBondContact O-N 2.93Å; T432-G501 WeakPolarHBondContact CA-O 3.41Å
433	T	86.7	Confident	82.7	Confident	24 Å²	24	33.5 Å²	33.5	15%	0.147	16%	0.164	C	C	.	.			trans	-100.7	153.1	172.7	46.5	0	0	0	0	110	L500 G501 S503 P529 N530	T433-L500 WeakPolarHBondContact O-CB 3.33Å; T433-L500 PolarHBondContact O-N 2.84Å; T433-L500 WeakPolarHBondContact OG1-CB 3.36Å; T433-G501 PolarHBondContact N-O 3.18Å; T433-G501 PolarHBondContact OG1-O 3.28Å; T433-S503 WeakPolarHBondContact OG1-CB 3.32Å; T433-S503 PolarHBondContact OG1-OG 2.85Å; T433-P529 HydrophobicContact CG2-CB 4.36Å; T433-N530 WeakPolarHBondContact CA-OD1 3.41Å
434	F	90	Very high	82.4	Confident	28 Å²	28	33.5 Å²	33.5	12%	0.123	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	162.8	178.3	72.3	-90.5	0	0	0	112.4	T402 G403 K436 V497 F498 N530 R532	T402-F434 WeakPolarHBondContact O-CE1 3.37Å; T402-F434 WeakPolarHBondContact O-CZ 3.42Å; G403-F434 WeakPolarHBondContact O-CB 3.47Å; G403-F434 WeakPolarHBondContact O-CG 3.38Å; F434-K436 HydrophobicContact CD2-CB 4.29Å; F434-K436 HydrophobicContact CE2-CB 4.26Å; F434-V497 HydrophobicContact CB-CG1 4.31Å; F434-F498 CarbonylContact C-O 3.52Å; F434-F498 VanDerWaalsContact CA-O 3.24Å; F434-F498 WeakPolarHBondContact CA-O 3.33Å; F434-N530 HydrophobicContact CE1-CB 4.26Å; F434-N530 PolarHBondContact N-OD1 3.38Å; F434-N530 WeakPolarHBondContact O-CA 3.42Å; F434-N530 PolarHBondContact O-N 2.92Å; F434-R532 HydrophobicContact CE2-CG 4.4Å
435	L	92.3	Very high	82.2	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	123.7	159.9	-174.5	75.8	0	0	0	109.5	V437 V466 F498 L500 I507 M510 V527 S531 L533	L435-V437 HydrophobicContact CD2-CG2 3.52Å; L435-V437 HydrophobicContact CG-CG2 3.74Å; L435-V466 HydrophobicContact CD2-CG1 3.68Å; L435-F498 HydrophobicContact CB-CB 4.4Å; L435-F498 PolarHBondContact N-O 2.73Å; L435-F498 PolarHBondContact O-N 3.22Å; L435-L500 HydrophobicContact CB-CD1 4.34Å; L435-I507 HydrophobicContact CB-CD1 3.86Å; L435-I507 HydrophobicContact CD1-CD1 3.95Å; L435-I507 HydrophobicContact CD2-CD1 3.8Å; L435-I507 HydrophobicContact CG-CD1 4.07Å; L435-M510 HydrophobicContact CD2-SD 4.17Å; L435-V527 HydrophobicContact CD1-CG1 4.04Å; L435-V527 HydrophobicContact CD2-CG1 4.48Å; L435-S531 WeakPolarHBondContact CD1-OG 3.38Å; L435-L533 HydrophobicContact CD1-CD1 3.7Å; L435-L533 HydrophobicContact CD1-CG 4.05Å; L435-L533 HydrophobicContact CD2-CD1 4.26Å; L435-L533 HydrophobicContact CG-CD1 4.4Å
436	K	94	Very high	81.9	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.009	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.6	173.7	-174	171.1	-178.3	168	0	109.6	D398 E401 F434 Y495 K496 V497 S531 R532 L533	D398-K436 IonicContact OD2-NZ 3.93Å; D398-K436 PolarHBondContact OD2-NZ 2.87Å; E401-K436 VanDerWaalsContact CD-NZ 3.28Å; E401-K436 IonicContact OE1-NZ 2.7Å; E401-K436 IonicContact OE2-NZ 3.74Å; E401-K436 PolarHBondContact OE2-NZ 2.86Å; F434-K436 HydrophobicContact CD2-CB 4.29Å; F434-K436 HydrophobicContact CE2-CB 4.26Å; K436-Y495 HydrophobicContact CD-CD2 4.26Å; K436-Y495 HydrophobicContact CD-CG 4.39Å; K436-Y495 VanDerWaalsContact CE-CD1 3.45Å; K436-Y495 HydrophobicContact CG-CD2 4.26Å; K436-Y495 HydrophobicContact CG-CG 4.37Å; K436-K496 CarbonylContact C-O 3.56Å; K436-K496 VanDerWaalsContact CA-O 3.3Å; K436-K496 WeakPolarHBondContact CA-O 3.38Å; K436-V497 HydrophobicContact CB-CG2 4.38Å; K436-V497 HydrophobicContact CD-CG2 4.18Å; K436-V497 HydrophobicContact CG-CG2 4.07Å; K436-S531 PolarHBondContact N-O 2.89Å; K436-S531 VanDerWaalsContact N-O 3.07Å; K436-R532 HydrophobicContact CB-CB 4.43Å; K436-R532 HydrophobicContact CB-CG 4.11Å; K436-R532 HydrophobicContact CD-CG 4.4Å; K436-R532 CarbonylContact O-C 3.53Å; K436-R532 WeakPolarHBondContact O-CA 3.37Å; K436-L533 PolarHBondContact O-N 3.26Å
437	V	95.5	Very high	82.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.3	-176.9	-170	0	0	0	0	112.2	L435 V464 Y495 K496 F498 M510 L533 V535	L435-V437 HydrophobicContact CD2-CG2 3.52Å; L435-V437 HydrophobicContact CG-CG2 3.74Å; V437-V464 HydrophobicContact CB-CG1 4.08Å; V437-V464 HydrophobicContact CB-CG2 4.34Å; V437-V464 HydrophobicContact CG1-CB 4.39Å; V437-V464 HydrophobicContact CG1-CG1 3.9Å; V437-V464 HydrophobicContact CG1-CG2 3.7Å; V437-V464 HydrophobicContact CG2-CG1 4.1Å; V437-Y495 CarbonylContact O-C 3.56Å; V437-Y495 VanDerWaalsContact O-CA 3.29Å; V437-Y495 WeakPolarHBondContact O-CA 3.21Å; V437-K496 PolarHBondContact N-O 3.48Å; V437-K496 PolarHBondContact O-N 2.6Å; V437-F498 HydrophobicContact CG2-CD2 4.42Å; V437-F498 HydrophobicContact CG2-CE2 4.27Å; V437-M510 HydrophobicContact CB-CE 4.33Å; V437-M510 HydrophobicContact CG1-CE 3.42Å; V437-M510 VanDerWaalsContact CG1-CE 3.42Å; V437-M510 HydrophobicContact CG2-CE 3.92Å; V437-M510 HydrophobicContact CG2-SD 4.33Å; V437-L533 VanDerWaalsContact CA-O 3.31Å; V437-L533 WeakPolarHBondContact CA-O 3.2Å; V437-L533 HydrophobicContact CG2-CB 4.44Å; V437-V535 HydrophobicContact CG1-CG2 4.47Å
438	E	95.1	Very high	83	Confident	30 Å²	30	42.5 Å²	42.5	14%	0.14	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.2	171	-72.3	165.7	-158.5	0	0	110.1	I458 Y495 L533 Y534 V535	E438-I458 HydrophobicContact CB-CD1 3.82Å; E438-I458 HydrophobicContact CG-CD1 4.12Å; E438-Y495 VanDerWaalsContact CG-CB 3.46Å; E438-L533 PolarHBondContact N-O 2.83Å; E438-Y534 WeakPolarHBondContact O-CA 3.16Å; E438-V535 PolarHBondContact O-N 3.45Å
439	V	95.5	Very high	83.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116.9	173.9	-172.8	0	0	0	0	108.4	I458 W459 V464 L482 T512 I514 V535 P537	V439-I458 WeakPolarHBondContact O-CA 3.23Å; V439-I458 WeakPolarHBondContact O-CG2 2.99Å; V439-W459 PolarHBondContact O-N 3.42Å; V439-V464 HydrophobicContact CG2-CG2 3.49Å; V439-V464 VanDerWaalsContact CG2-CG2 3.49Å; V439-L482 HydrophobicContact CB-CD1 3.91Å; V439-L482 HydrophobicContact CG2-CD1 3.84Å; V439-L482 VanDerWaalsContact N-CD1 3.34Å; V439-T512 HydrophobicContact CG1-CG2 4.18Å; V439-T512 HydrophobicContact CG2-CG2 3.62Å; V439-I514 HydrophobicContact CG1-CG2 4.07Å; V439-V535 HydrophobicContact CG1-CB 4.32Å; V439-V535 HydrophobicContact CG1-CG1 4.45Å; V439-V535 HydrophobicContact CG2-CB 4.28Å; V439-P537 HydrophobicContact CG1-CG 4.04Å
440	N	93.8	Very high	84.8	Confident	6 Å²	6	46.3 Å²	46.3	3%	0.032	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-95	177.9	-171.6	-59.1	-92.3	0	0	0	112.5	P455 V457 V535 P537	N440-P455 HydrophobicContact CB-CB 3.53Å; N440-P455 HydrophobicContact CB-CG 3.75Å; N440-P455 WeakPolarHBondContact CB-O 3.26Å; N440-V457 CarbonylContact C-O 3.59Å; N440-V457 WeakPolarHBondContact CA-O 3.41Å; N440-V535 PolarHBondContact N-O 3.15Å; N440-V535 PolarHBondContact ND2-O 2.72Å; N440-V535 VanDerWaalsContact ND2-O 3.09Å; N440-P537 WeakPolarHBondContact O-CD 3.24Å; N440-P537 WeakPolarHBondContact O-CG 3.47Å
441	S	92.8	Very high	85.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.			trans	-53.2	131.7	178.2	175.2	0	0	0	0	113	L443 V457	S441-L443 PolarHBondContact O-N 2.76Å; S441-L443 VanDerWaalsContact O-N 3.11Å; S441-L443 PolarHBondContact OG-N 2.96Å; S441-V457 PolarHBondContact N-O 3.43Å
442	P	91.9	Very high	85.4	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.019	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	13.3	174.9	30.4	-34	0	0	0	114.1	Q148 W459 I514 P537 Y538 A540	Q148-P442 HydrophobicContact CB-CG 3.87Å; Q148-P442 HydrophobicContact CG-CB 3.93Å; Q148-P442 HydrophobicContact CG-CG 3.59Å; P442-W459 VanDerWaalsContact CD-CE3 3.47Å; P442-W459 HydrophobicContact CG-CD2 3.96Å; P442-W459 HydrophobicContact CG-CE3 4.3Å; P442-W459 HydrophobicContact CG-CG 4.4Å; P442-W459 HydrophobicContact CG-CH2 4.39Å; P442-W459 HydrophobicContact CG-CZ2 4.05Å; P442-I514 HydrophobicContact CB-CD1 3.99Å; P442-I514 HydrophobicContact CG-CD1 4.3Å; P442-P537 HydrophobicContact CB-CB 4.5Å; P442-P537 HydrophobicContact CB-CG 3.99Å; P442-P537 WeakPolarHBondContact CB-O 3.42Å; P442-Y538 VanDerWaalsContact O-CD2 3.25Å; P442-Y538 WeakPolarHBondContact O-CD2 3.17Å; P442-A540 HydrophobicContact CB-CB 4.07Å
443	L	90.9	Very high	84.8	Confident	39 Å²	39	40 Å²	40	20%	0.204	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-17.5	175.5	-68.5	179	0	0	0	114	L97 Q148 L149 S441 N445	L97-L443 HydrophobicContact CD2-CB 3.84Å; Q148-L443 HydrophobicContact CB-CD2 3.79Å; Q148-L443 HydrophobicContact CB-CG 4.19Å; Q148-L443 VanDerWaalsContact O-CD1 3.23Å; Q148-L443 WeakPolarHBondContact O-CD1 3.46Å; Q148-L443 VanDerWaalsContact O-CG 3.31Å; Q148-L443 WeakPolarHBondContact O-CG 3.15Å; L149-L443 HydrophobicContact CD2-CD1 3.99Å; S441-L443 PolarHBondContact O-N 2.76Å; S441-L443 VanDerWaalsContact O-N 3.11Å; S441-L443 PolarHBondContact OG-N 2.96Å; L443-N445 PolarHBondContact O-N 2.91Å
444	C	88.1	Confident	83.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.225	C	C	.	.			trans	-82	113.1	-174.1	-140.1	0	0	0	0	111.4	L97 C448 P455 I536 Y538	L97-C444 HydrophobicContact CD1-CB 4.2Å; L97-C444 HydrophobicContact CD2-CB 4.2Å; C444-C448 HydrophobicContact CB-CB 4.27Å; C444-C448 WeakPolarHBondContact CB-SG 3.27Å; C444-C448 WeakPolarHBondContact SG-CB 2.96Å; C444-C448 CovalentContact SG-SG 2Å; C444-C448 PolarHBondContact SG-SG 2.74Å; C444-P455 HydrophobicContact CB-CB 3.51Å; C444-P455 WeakPolarHBondContact SG-CA 3.5Å; C444-P455 WeakPolarHBondContact SG-CB 3.5Å; C444-I536 HydrophobicContact CB-CG2 4.41Å; C444-I536 WeakPolarHBondContact O-CG2 3.13Å; C444-Y538 WeakPolarHBondContact O-CB 3.32Å
445	N	85.3	Confident	82.8	Confident	61 Å²	61	38.3 Å²	38.3	33%	0.326	22%	0.221	S	C	.	.			trans	-89.8	-177.3	171.5	69.1	5.6	0	0	0	111.4	L443 S447 C448 Y538	L443-N445 PolarHBondContact O-N 2.91Å; N445-S447 VanDerWaalsContact CG-OG 3.29Å; N445-S447 PolarHBondContact ND2-OG 2.86Å; N445-S447 PolarHBondContact O-N 3Å; N445-S447 VanDerWaalsContact O-N 3.1Å; N445-S447 WeakPolarHBondContact OD1-CB 3.37Å; N445-S447 PolarHBondContact OD1-N 3.16Å; N445-S447 PolarHBondContact OD1-OG 2.79Å; N445-C448 PolarHBondContact O-N 3.06Å; N445-C448 PolarHBondContact O-SG 3.42Å; N445-C448 PolarHBondContact OD1-N 2.8Å; N445-Y538 HydrophobicContact CB-CD1 3.77Å; N445-Y538 HydrophobicContact CB-CE1 3.43Å; N445-Y538 VanDerWaalsContact CB-CE1 3.43Å; N445-Y538 HydrophobicContact CB-CE2 4.26Å; N445-Y538 HydrophobicContact CB-CG 4.33Å
446	E	77.7	Confident	82	Confident	162 Å²	162	38.7 Å²	38.7	76%	0.757	22%	0.223	S	C	*	.	H	α-helix	trans	-59.3	-27.2	179.7	-65.1	-177.6	164	0	0	114.2	C448	E446-C448 PolarHBondContact O-N 2.85Å
447	S	78	Confident	81.8	Confident	62 Å²	62	38.8 Å²	38.8	43%	0.434	22%	0.224	S	C	.	.	H	α-helix	trans	-74.7	-21.3	-177.3	69.7	0	0	0	0	114.4	N445 E450 A451	N445-S447 VanDerWaalsContact CG-OG 3.29Å; N445-S447 PolarHBondContact ND2-OG 2.86Å; N445-S447 PolarHBondContact O-N 3Å; N445-S447 VanDerWaalsContact O-N 3.1Å; N445-S447 WeakPolarHBondContact OD1-CB 3.37Å; N445-S447 PolarHBondContact OD1-N 3.16Å; N445-S447 PolarHBondContact OD1-OG 2.79Å; S447-E450 PolarHBondContact O-N 3.38Å; S447-A451 PolarHBondContact O-N 2.88Å
448	C	80.7	Confident	81.8	Confident	11 Å²	11	39.4 Å²	39.4	7%	0.074	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-47.9	178.5	64.7	0	0	0	0	110.7	L97 C444 N445 E446 E450 A451 H453	L97-C448 HydrophobicContact CD1-CB 3.88Å; C444-C448 HydrophobicContact CB-CB 4.27Å; C444-C448 WeakPolarHBondContact CB-SG 3.27Å; C444-C448 WeakPolarHBondContact SG-CB 2.96Å; C444-C448 CovalentContact SG-SG 2Å; C444-C448 PolarHBondContact SG-SG 2.74Å; N445-C448 PolarHBondContact O-N 3.06Å; N445-C448 PolarHBondContact O-SG 3.42Å; N445-C448 PolarHBondContact OD1-N 2.8Å; E446-C448 PolarHBondContact O-N 2.85Å; C448-E450 VanDerWaalsContact C-N 3.29Å; C448-E450 PolarHBondContact O-N 2.01Å; C448-A451 WeakPolarHBondContact O-CB 3.41Å; C448-A451 PolarHBondContact O-N 2.76Å; C448-H453 CarbonylContact C-O 3.46Å; C448-H453 CarbonylContact O-C 3.47Å; C448-H453 PolarHBondContact O-N 3.02Å
449	E	73.9	Confident	81.8	Confident	55 Å²	55	38.2 Å²	38.2	26%	0.257	22%	0.221	S	C	.	.	H	α-helix	trans	-61.6	-38.3	178.2	-69.5	-171.3	179.6	0	0	111.9	A451 G452 H453 Y534 I536 K549	E449-A451 VanDerWaalsContact C-N 3.29Å; E449-A451 PolarHBondContact O-N 2.86Å; E449-G452 PolarHBondContact O-N 2.82Å; E449-G452 VanDerWaalsContact O-N 3.14Å; E449-H453 PolarHBondContact N-O 3.17Å; E449-Y534 PolarHBondContact OE1-OH 3.09Å; E449-I536 WeakPolarHBondContact OE1-CD1 3.47Å; E449-K549 IonicContact OE1-NZ 2.87Å; E449-K549 PolarHBondContact OE1-NZ 2.92Å; E449-K549 IonicContact OE2-NZ 2.65Å; E449-K549 PolarHBondContact OE2-NZ 2.96Å
450	E	73.6	Confident	81.8	Confident	171 Å²	171	38.7 Å²	38.7	80%	0.799	22%	0.224	S	C	*	.	H	α-helix	trans	-65.3	-32.2	176.3	-65.6	-174.6	165	0	0	112.6	S447 C448 G452	S447-E450 PolarHBondContact O-N 3.38Å; C448-E450 VanDerWaalsContact C-N 3.29Å; C448-E450 PolarHBondContact O-N 2.01Å; E450-G452 PolarHBondContact O-N 2.91Å
451	A	69.8	Low	82	Confident	68 Å²	68	38.4 Å²	38.4	56%	0.562	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-3.1	175.9	0	0	0	0	0	113.3	S447 C448 E449 H453	S447-A451 PolarHBondContact O-N 2.88Å; C448-A451 WeakPolarHBondContact O-CB 3.41Å; C448-A451 PolarHBondContact O-N 2.76Å; E449-A451 VanDerWaalsContact C-N 3.29Å; E449-A451 PolarHBondContact O-N 2.86Å; A451-H453 VanDerWaalsContact C-N 3.3Å
452	G	67.2	Low	82.1	Confident	56 Å²	56	38.4 Å²	38.4	58%	0.577	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	12.8	-176.8	0	0	0	0	0	113.7	E449 E450	E449-G452 PolarHBondContact O-N 2.82Å; E449-G452 VanDerWaalsContact O-N 3.14Å; E450-G452 PolarHBondContact O-N 2.91Å
453	H	67.3	Low	82.4	Confident	61 Å²	61	38.2 Å²	38.2	28%	0.282	22%	0.222	S	C	.	.			trans	-113.8	113.8	174.9	-60.8	-59.6	0	0	0	108.2	F98 C448 E449 A451	F98-H453 AromaticContact CE1-CE1 3.97Å; F98-H453 AromaticContact CE1-ND1 3.67Å; F98-H453 AromaticContact CZ-CE1 3.5Å; F98-H453 VanDerWaalsContact CZ-CE1 3.5Å; F98-H453 WeakPolarHBondContact CZ-CE1 3.19Å; F98-H453 AromaticContact CZ-ND1 3.43Å; F98-H453 WeakPolarHBondContact CZ-ND1 3.33Å; C448-H453 CarbonylContact C-O 3.46Å; C448-H453 CarbonylContact O-C 3.47Å; C448-H453 PolarHBondContact O-N 3.02Å; E449-H453 PolarHBondContact N-O 3.17Å; A451-H453 VanDerWaalsContact C-N 3.3Å
454	G	65.5	Low	82.7	Confident	12 Å²	12	36.4 Å²	36.4	12%	0.124	21%	0.212	C	C	.	.			trans	-74.1	167.5	177.4	0	0	0	0	0	111.8	F42 S456	F42-G454 WeakPolarHBondContact CD1-O 3.16Å; F42-G454 VanDerWaalsContact CE1-O 3.3Å; F42-G454 WeakPolarHBondContact CE1-O 3.45Å; G454-S456 PolarHBondContact O-N 2.93Å
455	P	69.6	Low	83.2	Confident	6 Å²	6	38 Å²	38	4%	0.039	22%	0.22	C	C	.	.			trans	-70.3	10.2	172.7	36	-41.4	0	0	0	113.5	N440 C444 V457 I536	N440-P455 HydrophobicContact CB-CB 3.53Å; N440-P455 HydrophobicContact CB-CG 3.75Å; N440-P455 WeakPolarHBondContact CB-O 3.26Å; C444-P455 HydrophobicContact CB-CB 3.51Å; C444-P455 WeakPolarHBondContact SG-CA 3.5Å; C444-P455 WeakPolarHBondContact SG-CB 3.5Å; P455-V457 PolarHBondContact O-N 2.83Å; P455-I536 HydrophobicContact CG-CD1 4.2Å; P455-I536 HydrophobicContact CG-CG1 4.11Å
456	S	75.7	Confident	83.6	Confident	8 Å²	8	35.1 Å²	35.1	6%	0.056	20%	0.204	C	C	.	.			trans	-50.6	-5.5	-150.9	-66.8	0	0	0	0	118.8	D39 F42 G454 I458	D39-S456 WeakPolarHBondContact O-CB 3.49Å; D39-S456 WeakPolarHBondContact OD2-CB 3.35Å; D39-S456 PolarHBondContact OD2-OG 3.25Å; F42-S456 VanDerWaalsContact CD1-CB 3.47Å; F42-S456 WeakPolarHBondContact CD1-OG 3.32Å; G454-S456 PolarHBondContact O-N 2.93Å; S456-I458 PolarHBondContact O-N 3.47Å
457	V	90.6	Very high	84.4	Confident	3 Å²	3	30.6 Å²	30.6	2%	0.018	18%	0.183	C	C	.	.	S	Bend	trans	-76.5	115.5	167.6	-178.6	0	0	0	0	109.3	D92 P99 N440 S441 P455	D92-V457 HydrophobicContact CB-CB 4.39Å; D92-V457 HydrophobicContact CB-CG1 4.14Å; D92-V457 HydrophobicContact CB-CG2 4.16Å; P99-V457 HydrophobicContact CB-CG2 4.1Å; P99-V457 HydrophobicContact CG-CG2 3.89Å; N440-V457 CarbonylContact C-O 3.59Å; N440-V457 WeakPolarHBondContact CA-O 3.41Å; S441-V457 PolarHBondContact N-O 3.43Å; P455-V457 PolarHBondContact O-N 2.83Å
458	I	94.9	Very high	85.1	Confident	13 Å²	13	28 Å²	28	7%	0.067	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-69.9	135.3	173.2	-59.3	-55.2	0	0	0	109.8	E438 V439 S456 P460 L482 L483 P494	E438-I458 HydrophobicContact CB-CD1 3.82Å; E438-I458 HydrophobicContact CG-CD1 4.12Å; V439-I458 WeakPolarHBondContact O-CA 3.23Å; V439-I458 WeakPolarHBondContact O-CG2 2.99Å; S456-I458 PolarHBondContact O-N 3.47Å; I458-P460 VanDerWaalsContact O-CD 3.29Å; I458-P460 WeakPolarHBondContact O-CD 3.14Å; I458-L482 HydrophobicContact CG2-CB 4.07Å; I458-L482 HydrophobicContact CG2-CD1 3.99Å; I458-L483 HydrophobicContact CB-CD1 3.92Å; I458-L483 HydrophobicContact CG2-CD1 3.85Å; I458-L483 HydrophobicContact CG2-CG 4.2Å; I458-P494 HydrophobicContact CB-CB 4.4Å; I458-P494 HydrophobicContact CG1-CB 3.63Å; I458-P494 WeakPolarHBondContact CG1-O 3.45Å; I458-P494 WeakPolarHBondContact CG2-O 3.25Å
459	W	95.1	Very high	85.4	Confident	5 Å²	5	30.4 Å²	30.4	2%	0.019	17%	0.173	C	C	.	.			trans	-87.8	111.5	-175.4	-166.2	-108.2	0	0	0	111.2	D143 Q148 V439 P442 S462	D143-W459 HydrophobicContact CB-CH2 4.18Å; D143-W459 HydrophobicContact CB-CZ2 3.59Å; D143-W459 WeakPolarHBondContact OD2-CZ2 3.41Å; Q148-W459 WeakPolarHBondContact O-CH2 3.42Å; V439-W459 PolarHBondContact O-N 3.42Å; P442-W459 VanDerWaalsContact CD-CE3 3.47Å; P442-W459 HydrophobicContact CG-CD2 3.96Å; P442-W459 HydrophobicContact CG-CE3 4.3Å; P442-W459 HydrophobicContact CG-CG 4.4Å; P442-W459 HydrophobicContact CG-CH2 4.39Å; P442-W459 HydrophobicContact CG-CZ2 4.05Å; W459-S462 WeakPolarHBondContact CB-OG 3.45Å; W459-S462 VanDerWaalsContact O-CB 3.29Å; W459-S462 WeakPolarHBondContact O-CB 3.22Å; W459-S462 PolarHBondContact O-N 3.32Å; W459-S462 PolarHBondContact O-OG 3.31Å
460	P	96.3	Very high	86	Confident	10 Å²	10	28.9 Å²	28.9	7%	0.065	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	140.5	-174.3	-23.7	36.1	0	0	0	112.8	V141 I458 S462 L483 P515	V141-P460 HydrophobicContact CG1-CG 3.99Å; I458-P460 VanDerWaalsContact O-CD 3.29Å; I458-P460 WeakPolarHBondContact O-CD 3.14Å; P460-S462 PolarHBondContact O-N 3Å; P460-L483 HydrophobicContact CB-CB 4.28Å; P460-P515 WeakPolarHBondContact O-CG 3.18Å
461	G	96.2	Very high	86.5	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	7.9	-176.9	0	0	0	0	0	114.2	I194 S203 T463 L482	I194-G461 WeakPolarHBondContact O-CA 3.42Å; S203-G461 WeakPolarHBondContact CB-O 3.4Å; S203-G461 PolarHBondContact OG-O 2.7Å; G461-T463 PolarHBondContact O-N 3.09Å; G461-L482 PolarHBondContact N-O 3.27Å
462	S	96.9	Very high	87.2	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.			trans	-69.1	126.2	171.3	-60.3	0	0	0	0	110.4	W459 P460 S481 L482 G513	W459-S462 WeakPolarHBondContact CB-OG 3.45Å; W459-S462 VanDerWaalsContact O-CB 3.29Å; W459-S462 WeakPolarHBondContact O-CB 3.22Å; W459-S462 PolarHBondContact O-N 3.32Å; W459-S462 PolarHBondContact O-OG 3.31Å; P460-S462 PolarHBondContact O-N 3Å; S462-S481 CarbonylContact O-C 3.52Å; S462-S481 WeakPolarHBondContact O-CA 3.34Å; S462-L482 PolarHBondContact O-N 3.08Å; S462-G513 CarbonylContact C-O 3.54Å; S462-G513 WeakPolarHBondContact CA-O 3.2Å
463	T	97.6	Very high	88	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.5	-175.7	-59.3	0	0	0	0	110.5	D196 L201 S203 G461 V479 H480 S481 T512 G513	D196-T463 HydrophobicContact CB-CG2 3.92Å; D196-T463 WeakPolarHBondContact CB-OG1 3.4Å; L201-T463 HydrophobicContact CD2-CG2 3.78Å; S203-T463 PolarHBondContact OG-OG1 2.59Å; G461-T463 PolarHBondContact O-N 3.09Å; T463-V479 HydrophobicContact CG2-CG2 3.49Å; T463-V479 VanDerWaalsContact CG2-CG2 3.49Å; T463-H480 WeakPolarHBondContact CA-O 3.26Å; T463-S481 PolarHBondContact OG1-OG 3.44Å; T463-T512 CarbonylContact O-C 3.55Å; T463-T512 VanDerWaalsContact O-CA 3.25Å; T463-T512 WeakPolarHBondContact O-CA 3.26Å; T463-G513 PolarHBondContact N-O 2.78Å; T463-G513 PolarHBondContact O-N 3.29Å
464	V	97.6	Very high	89	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.9	173.7	178.4	0	0	0	0	108.7	V437 V439 V479 H480 F498 M510 T512	V437-V464 HydrophobicContact CB-CG1 4.08Å; V437-V464 HydrophobicContact CB-CG2 4.34Å; V437-V464 HydrophobicContact CG1-CB 4.39Å; V437-V464 HydrophobicContact CG1-CG1 3.9Å; V437-V464 HydrophobicContact CG1-CG2 3.7Å; V437-V464 HydrophobicContact CG2-CG1 4.1Å; V439-V464 HydrophobicContact CG2-CG2 3.49Å; V439-V464 VanDerWaalsContact CG2-CG2 3.49Å; V464-V479 CarbonylContact O-C 3.59Å; V464-V479 VanDerWaalsContact O-CA 3.27Å; V464-V479 WeakPolarHBondContact O-CA 3.26Å; V464-V479 WeakPolarHBondContact O-CG2 3.42Å; V464-H480 PolarHBondContact N-O 2.8Å; V464-H480 PolarHBondContact O-N 3.15Å; V464-F498 HydrophobicContact CB-CE2 4.41Å; V464-F498 HydrophobicContact CB-CZ 4.39Å; V464-F498 HydrophobicContact CG1-CE2 3.81Å; V464-F498 HydrophobicContact CG1-CZ 4.1Å; V464-M510 HydrophobicContact CG1-CE 3.81Å; V464-M510 HydrophobicContact CG1-CG 4.35Å; V464-T512 HydrophobicContact CG2-CG2 4.2Å
465	Q	97	Very high	90.2	Very high	34 Å²	34	34.7 Å²	34.7	16%	0.159	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.5	176.5	-175.8	-175.7	47.9	0	0	110	L201 G274 H467 G478 V479 M510 S511	L201-Q465 HydrophobicContact CD2-CB 3.98Å; G274-Q465 PolarHBondContact O-NE2 3.29Å; Q465-H467 PolarHBondContact OE1-NE2 2.82Å; Q465-G478 CarbonylContact C-O 3.58Å; Q465-G478 VanDerWaalsContact CA-O 3.24Å; Q465-G478 WeakPolarHBondContact CA-O 3.4Å; Q465-V479 HydrophobicContact CB-CB 4.25Å; Q465-V479 HydrophobicContact CB-CG2 4.03Å; Q465-V479 HydrophobicContact CG-CB 4.21Å; Q465-V479 HydrophobicContact CG-CG2 4.41Å; Q465-M510 CarbonylContact O-C 3.47Å; Q465-M510 VanDerWaalsContact O-CA 3.24Å; Q465-M510 WeakPolarHBondContact O-CA 3.25Å; Q465-S511 PolarHBondContact N-O 2.73Å; Q465-S511 PolarHBondContact O-N 2.84Å
466	V	95.5	Very high	91.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.5	176.3	-64.1	0	0	0	0	110.4	L435 F468 G477 G478 F498 I507 G509 M510	L435-V466 HydrophobicContact CD2-CG1 3.68Å; V466-F468 HydrophobicContact CG2-CD1 4.27Å; V466-F468 HydrophobicContact CG2-CE1 4.37Å; V466-G477 CarbonylContact O-C 3.58Å; V466-G477 WeakPolarHBondContact O-CA 3.46Å; V466-G478 PolarHBondContact N-O 2.83Å; V466-G478 PolarHBondContact O-N 3.1Å; V466-F498 HydrophobicContact CG1-CD2 4.11Å; V466-F498 HydrophobicContact CG1-CE2 4.08Å; V466-F498 HydrophobicContact CG1-CZ 4.45Å; V466-F498 HydrophobicContact CG2-CB 4.36Å; V466-F498 HydrophobicContact CG2-CD1 3.66Å; V466-F498 HydrophobicContact CG2-CD2 4.23Å; V466-F498 HydrophobicContact CG2-CE1 3.92Å; V466-F498 HydrophobicContact CG2-CE2 4.45Å; V466-F498 HydrophobicContact CG2-CG 3.82Å; V466-F498 HydrophobicContact CG2-CZ 4.3Å; V466-I507 HydrophobicContact CB-CG2 4.42Å; V466-G509 WeakPolarHBondContact CA-O 3.4Å; V466-M510 HydrophobicContact CG1-CB 4.27Å; V466-M510 HydrophobicContact CG1-CG 4.09Å
467	H	93.8	Very high	92.2	Very high	67 Å²	67	37.5 Å²	37.5	31%	0.31	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.3	172.9	-62.4	-67.2	0	0	0	109.3	Q465 Y476 I507 E508 G509	Q465-H467 PolarHBondContact OE1-NE2 2.82Å; H467-Y476 WeakPolarHBondContact CA-O 3.25Å; H467-I507 VanDerWaalsContact O-CG2 3.25Å; H467-I507 WeakPolarHBondContact O-CG2 3.47Å; H467-E508 WeakPolarHBondContact O-CB 3.49Å; H467-E508 PolarHBondContact O-N 3.34Å; H467-G509 PolarHBondContact N-O 3.03Å; H467-G509 PolarHBondContact O-N 3.17Å
468	F	91.7	Very high	92.4	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.035	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	170.8	-177.2	63.6	-83.3	0	0	0	111.5	V466 S475 Y476 L500 I507	V466-F468 HydrophobicContact CG2-CD1 4.27Å; V466-F468 HydrophobicContact CG2-CE1 4.37Å; F468-S475 WeakPolarHBondContact O-CA 3.4Å; F468-Y476 HydrophobicContact CD2-CD2 4.49Å; F468-Y476 HydrophobicContact CE2-CD2 4.05Å; F468-Y476 HydrophobicContact CE2-CG 4.13Å; F468-Y476 HydrophobicContact CZ-CG 4.22Å; F468-Y476 PolarHBondContact N-O 3.43Å; F468-Y476 PolarHBondContact O-N 3.4Å; F468-L500 HydrophobicContact CD1-CD2 3.64Å; F468-L500 HydrophobicContact CD2-CB 4.38Å; F468-L500 HydrophobicContact CD2-CD2 4.18Å; F468-L500 HydrophobicContact CE1-CD2 3.67Å; F468-L500 HydrophobicContact CE2-CB 4.25Å; F468-L500 HydrophobicContact CE2-CD2 4.2Å; F468-L500 HydrophobicContact CG-CD2 3.91Å; F468-L500 HydrophobicContact CZ-CD2 3.95Å; F468-I507 HydrophobicContact CB-CG2 4.33Å
469	K	88.7	Confident	92.5	Very high	61 Å²	61	37.1 Å²	37.1	27%	0.265	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.1	174.8	-74.7	177.8	-179.5	147.9	0	111.3	H474 S475 L504 E508	K469-H474 WeakPolarHBondContact CA-O 3.5Å; K469-S475 WeakPolarHBondContact CE-OG 3.4Å; K469-L504 HydrophobicContact CB-CD1 4.02Å; K469-L504 PolarHBondContact O-N 3.4Å; K469-E508 VanDerWaalsContact CD-OE1 3.28Å; K469-E508 WeakPolarHBondContact CD-OE1 3.36Å; K469-E508 WeakPolarHBondContact CE-OE1 3.38Å; K469-E508 IonicContact NZ-OE1 3.66Å; K469-E508 PolarHBondContact NZ-OE1 3.43Å; K469-E508 IonicContact NZ-OE2 3.55Å
470	D	85.2	Confident	92.7	Very high	24 Å²	24	37.2 Å²	37.2	13%	0.128	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-76.1	-178.4	169.8	72.1	1.8	0	0	0	111.8	D472 A473 H474 Y476	D470-D472 PolarHBondContact O-N 2.66Å; D470-D472 VanDerWaalsContact OD1-C 3.23Å; D470-D472 WeakPolarHBondContact OD1-CA 3.2Å; D470-D472 PolarHBondContact OD1-N 2.99Å; D470-A473 PolarHBondContact O-N 2.79Å; D470-A473 PolarHBondContact OD1-N 2.96Å; D470-H474 PolarHBondContact N-O 2.8Å; D470-H474 VanDerWaalsContact N-O 3.09Å; D470-H474 IonicContact OD1-CG 2.99Å; D470-H474 PolarHBondContact OD1-N 3.09Å; D470-H474 IonicContact OD1-ND1 3.88Å; D470-H474 IonicContact OD2-CG 3.29Å; D470-H474 IonicContact OD2-ND1 2.8Å; D470-H474 PolarHBondContact OD2-ND1 2.85Å; D470-Y476 HydrophobicContact CB-CD2 4.4Å; D470-Y476 HydrophobicContact CB-CE2 3.82Å
471	L	83.7	Confident	92.8	Very high	111 Å²	111	36.8 Å²	36.8	58%	0.581	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.5	176.2	-65.1	176.1	0	0	0	113.8	A473 R502 L504	L471-A473 VanDerWaalsContact C-N 3.29Å; L471-R502 HydrophobicContact CD1-CB 3.92Å; L471-R502 HydrophobicContact CG-CB 4.39Å; L471-R502 WeakPolarHBondContact CG-O 2.8Å; L471-L504 HydrophobicContact CD2-CD2 4.13Å
472	D	85.8	Confident	92.8	Very high	128 Å²	128	36.8 Å²	36.8	68%	0.684	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	6.2	178.1	-67.9	-37.3	0	0	0	112.4	D470 H474	D470-D472 PolarHBondContact O-N 2.66Å; D470-D472 VanDerWaalsContact OD1-C 3.23Å; D470-D472 WeakPolarHBondContact OD1-CA 3.2Å; D470-D472 PolarHBondContact OD1-N 2.99Å; D472-H474 VanDerWaalsContact C-N 3.27Å; D472-H474 WeakPolarHBondContact CB-ND1 3.46Å; D472-H474 PolarHBondContact O-N 3.44Å
473	A	84.4	Confident	92.8	Very high	66 Å²	66	38.4 Å²	38.4	55%	0.545	21%	0.208	S	C	.	.			trans	64.2	20.9	-178.1	0	0	0	0	0	115.3	D470 L471	D470-A473 PolarHBondContact O-N 2.79Å; D470-A473 PolarHBondContact OD1-N 2.96Å; L471-A473 VanDerWaalsContact C-N 3.29Å
474	H	88.4	Confident	92.8	Very high	104 Å²	104	38.7 Å²	38.7	48%	0.481	21%	0.209	S	C	.	.			trans	-70.5	134.4	165	-56.1	103.9	0	0	0	109.6	K469 D470 D472 Y476	K469-H474 WeakPolarHBondContact CA-O 3.5Å; D470-H474 PolarHBondContact N-O 2.8Å; D470-H474 VanDerWaalsContact N-O 3.09Å; D470-H474 IonicContact OD1-CG 2.99Å; D470-H474 PolarHBondContact OD1-N 3.09Å; D470-H474 IonicContact OD1-ND1 3.88Å; D470-H474 IonicContact OD2-CG 3.29Å; D470-H474 IonicContact OD2-ND1 2.8Å; D470-H474 PolarHBondContact OD2-ND1 2.85Å; D472-H474 VanDerWaalsContact C-N 3.27Å; D472-H474 WeakPolarHBondContact CB-ND1 3.46Å; D472-H474 PolarHBondContact O-N 3.44Å; H474-Y476 HydrophobicContact CB-CE2 3.75Å
475	S	90.8	Very high	92.8	Very high	81 Å²	81	38.9 Å²	38.9	57%	0.566	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	135.2	176.1	-75.8	0	0	0	0	110.6	F468 K469	F468-S475 WeakPolarHBondContact O-CA 3.4Å; K469-S475 WeakPolarHBondContact CE-OG 3.4Å
476	Y	92.3	Very high	92.8	Very high	67 Å²	67	38 Å²	38	26%	0.263	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.8	174	-64.7	-80.3	0	0	0	109.6	A272 F341 H467 F468 D470 H474	A272-Y476 HydrophobicContact CB-CD1 3.98Å; F341-Y476 HydrophobicContact CE2-CE1 4.43Å; F341-Y476 HydrophobicContact CZ-CD1 4.19Å; F341-Y476 AromaticContact CZ-CE1 3.85Å; F341-Y476 HydrophobicContact CZ-CE1 3.85Å; H467-Y476 WeakPolarHBondContact CA-O 3.25Å; F468-Y476 HydrophobicContact CD2-CD2 4.49Å; F468-Y476 HydrophobicContact CE2-CD2 4.05Å; F468-Y476 HydrophobicContact CE2-CG 4.13Å; F468-Y476 HydrophobicContact CZ-CG 4.22Å; F468-Y476 PolarHBondContact N-O 3.43Å; F468-Y476 PolarHBondContact O-N 3.4Å; D470-Y476 HydrophobicContact CB-CD2 4.4Å; D470-Y476 HydrophobicContact CB-CE2 3.82Å; H474-Y476 HydrophobicContact CB-CE2 3.75Å
477	G	93.7	Very high	92.8	Very high	5 Å²	5	38 Å²	38	5%	0.052	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	155.8	163.9	0	0	0	0	0	109.9	A272 V466	A272-G477 CarbonylContact C-O 3.49Å; A272-G477 VanDerWaalsContact C-O 3.23Å; A272-G477 VanDerWaalsContact CA-O 3.27Å; A272-G477 WeakPolarHBondContact CA-O 3.27Å; A272-G477 WeakPolarHBondContact CB-O 3.31Å; A272-G477 PolarHBondContact O-N 2.81Å; V466-G477 CarbonylContact O-C 3.58Å; V466-G477 WeakPolarHBondContact O-CA 3.46Å
478	G	95.4	Very high	92.8	Very high	6 Å²	6	35.6 Å²	35.6	6%	0.062	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	134.8	164.2	0	0	0	0	0	108	D269 Q465 V466	D269-G478 VanDerWaalsContact OD2-CA 3.29Å; D269-G478 WeakPolarHBondContact OD2-CA 3.44Å; Q465-G478 CarbonylContact C-O 3.58Å; Q465-G478 VanDerWaalsContact CA-O 3.24Å; Q465-G478 WeakPolarHBondContact CA-O 3.4Å; V466-G478 PolarHBondContact N-O 2.83Å; V466-G478 PolarHBondContact O-N 3.1Å
479	V	97.7	Very high	92.9	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	149.9	174.6	64.1	0	0	0	0	111.6	D269 G274 R275 I276 T463 V464 Q465	D269-V479 HydrophobicContact CB-CG1 3.88Å; D269-V479 PolarHBondContact OD2-N 2.84Å; G274-V479 WeakPolarHBondContact O-CG1 3.26Å; R275-V479 WeakPolarHBondContact O-CG1 3.08Å; I276-V479 HydrophobicContact CD1-CB 4.46Å; I276-V479 HydrophobicContact CD1-CG1 3.83Å; I276-V479 HydrophobicContact CD1-CG2 4.17Å; I276-V479 HydrophobicContact CG1-CG1 3.95Å; I276-V479 HydrophobicContact CG1-CG2 4.26Å; T463-V479 HydrophobicContact CG2-CG2 3.49Å; T463-V479 VanDerWaalsContact CG2-CG2 3.49Å; V464-V479 CarbonylContact O-C 3.59Å; V464-V479 VanDerWaalsContact O-CA 3.27Å; V464-V479 WeakPolarHBondContact O-CA 3.26Å; V464-V479 WeakPolarHBondContact O-CG2 3.42Å; Q465-V479 HydrophobicContact CB-CB 4.25Å; Q465-V479 HydrophobicContact CB-CG2 4.03Å; Q465-V479 HydrophobicContact CG-CB 4.21Å; Q465-V479 HydrophobicContact CG-CG2 4.41Å
480	H	98	Very high	93.1	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.032	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	141.4	175.5	-173	81.4	0	0	0	111.6	E268 T463 V464 K496 F498	E268-H480 VanDerWaalsContact CD-ND1 3.26Å; E268-H480 IonicContact OE1-CE1 3.99Å; E268-H480 PolarHBondContact OE1-CE1 3.26Å; E268-H480 IonicContact OE1-ND1 3.3Å; E268-H480 PolarHBondContact OE1-ND1 3.47Å; E268-H480 IonicContact OE2-CE1 2.8Å; E268-H480 IonicContact OE2-CG 3.57Å; E268-H480 IonicContact OE2-ND1 2.74Å; E268-H480 PolarHBondContact OE2-ND1 3.34Å; T463-H480 WeakPolarHBondContact CA-O 3.26Å; V464-H480 PolarHBondContact N-O 2.8Å; V464-H480 PolarHBondContact O-N 3.15Å; H480-K496 HydrophobicContact CB-CB 4.16Å; H480-K496 HydrophobicContact CB-CD 3.66Å; H480-K496 HydrophobicContact CB-CG 3.67Å; H480-F498 HydrophobicContact CB-CZ 4.45Å
481	S	98	Very high	93.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	115.8	169.2	-56.1	0	0	0	0	110.5	D196 S462 T463 Y484	D196-S481 PolarHBondContact N-OG 2.74Å; S462-S481 CarbonylContact O-C 3.52Å; S462-S481 WeakPolarHBondContact O-CA 3.34Å; T463-S481 PolarHBondContact OG1-OG 3.44Å; S481-Y484 WeakPolarHBondContact O-CD1 3.32Å
482	L	97.4	Very high	94.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	138.8	-176.9	-63.5	175.1	0	0	0	111.6	V439 I458 G461 S462 Y484 Y495 K496	V439-L482 HydrophobicContact CB-CD1 3.91Å; V439-L482 HydrophobicContact CG2-CD1 3.84Å; V439-L482 VanDerWaalsContact N-CD1 3.34Å; I458-L482 HydrophobicContact CG2-CB 4.07Å; I458-L482 HydrophobicContact CG2-CD1 3.99Å; G461-L482 PolarHBondContact N-O 3.27Å; S462-L482 PolarHBondContact O-N 3.08Å; L482-Y484 PolarHBondContact O-N 2.85Å; L482-Y484 VanDerWaalsContact O-N 3.07Å; L482-Y495 VanDerWaalsContact CD2-C 3.45Å; L482-K496 HydrophobicContact CD2-CB 4.12Å
483	L	97	Very high	94.7	Very high	34 Å²	34	24.6 Å²	24.6	18%	0.178	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	36.3	175.8	-57.5	-178.9	0	0	0	114	I458 P460 S485 L492	I458-L483 HydrophobicContact CB-CD1 3.92Å; I458-L483 HydrophobicContact CG2-CD1 3.85Å; I458-L483 HydrophobicContact CG2-CG 4.2Å; P460-L483 HydrophobicContact CB-CB 4.28Å; L483-S485 PolarHBondContact O-N 3.48Å; L483-L492 HydrophobicContact CD2-CB 4.09Å
484	Y	97.7	Very high	95.2	Very high	6 Å²	6	21.8 Å²	21.8	2%	0.024	12%	0.12	C	C	.	.			trans	-55.1	-26.5	-176.3	63.2	-106.6	0	0	0	113.5	Q140 A193 I194 L266 F267 S481 L482 L492	Q140-Y484 PolarHBondContact NE2-O 2.91Å; A193-Y484 CarbonylContact C-O 3.57Å; A193-Y484 WeakPolarHBondContact CA-O 3.35Å; A193-Y484 HydrophobicContact CB-CD2 3.83Å; I194-Y484 PolarHBondContact N-O 2.88Å; I194-Y484 WeakPolarHBondContact O-CA 3.46Å; I194-Y484 WeakPolarHBondContact O-CB 3.34Å; L266-Y484 WeakPolarHBondContact CD2-OH 3.41Å; F267-Y484 HydrophobicContact CB-CD1 4.49Å; F267-Y484 HydrophobicContact CB-CE1 4.33Å; F267-Y484 AromaticContact CD2-CD2 3.82Å; F267-Y484 HydrophobicContact CD2-CD2 3.82Å; F267-Y484 AromaticContact CD2-CE2 3.69Å; F267-Y484 HydrophobicContact CD2-CE2 3.69Å; F267-Y484 HydrophobicContact CD2-CG 4.45Å; F267-Y484 HydrophobicContact CE2-CD2 4.49Å; F267-Y484 HydrophobicContact CE2-CE2 4.44Å; S481-Y484 WeakPolarHBondContact O-CD1 3.32Å; L482-Y484 PolarHBondContact O-N 2.85Å; L482-Y484 VanDerWaalsContact O-N 3.07Å; Y484-L492 HydrophobicContact CD1-CD1 3.65Å; Y484-L492 HydrophobicContact CD1-CD2 4.44Å; Y484-L492 HydrophobicContact CD2-CD1 3.73Å; Y484-L492 HydrophobicContact CE1-CD1 3.66Å; Y484-L492 HydrophobicContact CE1-CD2 3.65Å; Y484-L492 HydrophobicContact CE1-CG 4.31Å; Y484-L492 HydrophobicContact CE2-CD1 3.72Å; Y484-L492 HydrophobicContact CE2-CD2 4.32Å; Y484-L492 HydrophobicContact CG-CD1 3.69Å
485	S	96.9	Very high	95.6	Very high	4 Å²	4	17 Å²	17	3%	0.028	10%	0.097	C	C	.	.			trans	-131.1	136.6	176	170.9	0	0	0	0	110.9	P192 L483 S490 L492	P192-S485 WeakPolarHBondContact O-CB 3.32Å; P192-S485 PolarHBondContact O-OG 2.94Å; L483-S485 PolarHBondContact O-N 3.48Å; S485-S490 WeakPolarHBondContact O-CB 3.02Å; S485-S490 PolarHBondContact O-OG 3.47Å; S485-L492 VanDerWaalsContact N-CD1 3.29Å; S485-L492 WeakPolarHBondContact O-CD1 3.05Å
486	S	96.8	Very high	95.9	Very high	16 Å²	16	14.1 Å²	14.1	11%	0.112	8%	0.075	C	C	.	.			trans	-120.6	-0.6	179.4	76.1	0	0	0	0	113.8	N87 Q140 V141	N87-S486 PolarHBondContact ND2-O 2.82Å; Q140-S486 WeakPolarHBondContact CA-OG 3.44Å; Q140-S486 PolarHBondContact OE1-OG 2.67Å; V141-S486 PolarHBondContact N-OG 2.72Å
487	S	95.1	Very high	96	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.007	6%	0.064	C	C	.	.	S	Bend	trans	-92.4	162.1	178.8	77	0	0	0	0	112.5	F190 R489 S490	F190-S487 PolarHBondContact O-OG 3.44Å; F190-S487 VanDerWaalsContact O-OG 3.06Å; S487-R489 VanDerWaalsContact C-N 3.26Å; S487-R489 PolarHBondContact O-N 2.81Å; S487-R489 VanDerWaalsContact O-N 3.09Å; S487-S490 PolarHBondContact O-N 2.9Å
488	H	94.4	Very high	96	Very high	16 Å²	16	11.4 Å²	11.4	7%	0.074	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	34	172.1	-61.6	-72.8	0	0	0	115.8	D137 Q138 F190 P328	D137-H488 IonicContact OD1-CE1 3.93Å; D137-H488 PolarHBondContact OD1-CE1 3.37Å; D137-H488 IonicContact OD1-NE2 3.65Å; D137-H488 PolarHBondContact OD1-NE2 2.8Å; D137-H488 VanDerWaalsContact OD1-NE2 3.14Å; Q138-H488 PolarHBondContact NE2-ND1 2.76Å; F190-H488 PolarHBondContact N-NE2 2.8Å; F190-H488 PolarHBondContact O-CD2 2.97Å; F190-H488 PolarHBondContact O-NE2 3.39Å; P328-H488 HydrophobicContact CG-CB 4.17Å
489	R	94	Very high	95.8	Very high	7 Å²	7	11.2 Å²	11.2	3%	0.026	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	54.1	179.1	-164.9	-179.4	172.6	-107.8	-6.2	111.4	E33 I34 N87 R332 E393 S487 L491	E33-R489 WeakPolarHBondContact OE1-CD 3.44Å; E33-R489 IonicContact OE1-CZ 3.86Å; E33-R489 IonicContact OE1-NE 2.77Å; E33-R489 PolarHBondContact OE1-NE 3.12Å; E33-R489 IonicContact OE1-NH1 3.21Å; I34-R489 PolarHBondContact O-NE 3.4Å; I34-R489 PolarHBondContact O-NH2 2.03Å; N87-R489 VanDerWaalsContact OD1-CA 3.22Å; N87-R489 WeakPolarHBondContact OD1-CA 3.26Å; N87-R489 PolarHBondContact OD1-N 2.94Å; R332-R489 PolarHBondContact NH1-O 3.31Å; R332-R489 PolarHBondContact NH2-O 2.88Å; R332-R489 VanDerWaalsContact NH2-O 3.1Å; E393-R489 IonicContact OE1-NH1 3.13Å; E393-R489 PolarHBondContact OE1-NH1 3.35Å; E393-R489 IonicContact OE2-CZ 2.67Å; E393-R489 IonicContact OE2-NH1 3.84Å; E393-R489 PolarHBondContact OE2-NH1 3Å; S487-R489 VanDerWaalsContact C-N 3.26Å; S487-R489 PolarHBondContact O-N 2.81Å; S487-R489 VanDerWaalsContact O-N 3.09Å; R489-L491 HydrophobicContact CG-CD2 3.75Å; R489-L491 HydrophobicContact CG-CG 3.96Å; R489-L491 PolarHBondContact O-N 2.87Å
490	S	92.6	Very high	95.4	Very high	31 Å²	31	11.2 Å²	11.2	22%	0.217	6%	0.061	C	C	.	.			trans	-60.2	-19.5	178.7	63.7	0	0	0	0	114.6	R332 S485 S487 L492	R332-S490 PolarHBondContact NH1-O 3.1Å; S485-S490 WeakPolarHBondContact O-CB 3.02Å; S485-S490 PolarHBondContact O-OG 3.47Å; S487-S490 PolarHBondContact O-N 2.9Å; S490-L492 PolarHBondContact O-N 2.72Å
491	L	94.3	Very high	94.8	Very high	14 Å²	14	11.5 Å²	11.5	7%	0.073	7%	0.066	C	C	.	.			trans	38.1	39.4	-178.5	-49.6	174	0	0	0	112.7	I34 Y37 R332 R489	I34-L491 HydrophobicContact CG2-CD2 4.37Å; Y37-L491 HydrophobicContact CE2-CB 3.89Å; Y37-L491 HydrophobicContact CE2-CD2 4.39Å; R332-L491 VanDerWaalsContact CZ-CD1 3.49Å; R332-L491 VanDerWaalsContact NH1-N 3.13Å; R489-L491 HydrophobicContact CG-CD2 3.75Å; R489-L491 HydrophobicContact CG-CG 3.96Å; R489-L491 PolarHBondContact O-N 2.87Å
492	L	97	Very high	93.8	Very high	24 Å²	24	19.1 Å²	19.1	13%	0.126	10%	0.095	C	C	.	.			trans	-66.4	140.9	169.8	-62.9	177.6	0	0	0	108.2	L483 Y484 S485 S490	L483-L492 HydrophobicContact CD2-CB 4.09Å; Y484-L492 HydrophobicContact CD1-CD1 3.65Å; Y484-L492 HydrophobicContact CD1-CD2 4.44Å; Y484-L492 HydrophobicContact CD2-CD1 3.73Å; Y484-L492 HydrophobicContact CE1-CD1 3.66Å; Y484-L492 HydrophobicContact CE1-CD2 3.65Å; Y484-L492 HydrophobicContact CE1-CG 4.31Å; Y484-L492 HydrophobicContact CE2-CD1 3.72Å; Y484-L492 HydrophobicContact CE2-CD2 4.32Å; Y484-L492 HydrophobicContact CG-CD1 3.69Å; S485-L492 VanDerWaalsContact N-CD1 3.29Å; S485-L492 WeakPolarHBondContact O-CD1 3.05Å; S490-L492 PolarHBondContact O-N 2.72Å
493	L	96.8	Very high	92.5	Very high	25 Å²	25	19.8 Å²	19.8	13%	0.131	10%	0.099	C	C	.	.			trans	-75	144.7	-179.9	-64.3	171.1	0	0	0	109.4	Y37 F397 L405 Y495	Y37-L493 HydrophobicContact CD2-CD2 4.17Å; Y37-L493 HydrophobicContact CE2-CD2 3.92Å; F397-L493 HydrophobicContact CD2-CD2 3.76Å; F397-L493 HydrophobicContact CE2-CD2 4.48Å; L405-L493 HydrophobicContact CD2-CD1 4.03Å; L493-Y495 HydrophobicContact CB-CD2 4.15Å; L493-Y495 HydrophobicContact CB-CE1 4.48Å; L493-Y495 HydrophobicContact CB-CE2 4.05Å; L493-Y495 HydrophobicContact CB-CG 4.45Å; L493-Y495 WeakPolarHBondContact CB-O 3.47Å; L493-Y495 HydrophobicContact CD1-CD2 4.42Å; L493-Y495 HydrophobicContact CD1-CE2 3.71Å; L493-Y495 HydrophobicContact CD2-CE2 4.46Å; L493-Y495 HydrophobicContact CG-CE2 4.28Å; L493-Y495 PolarHBondContact O-N 2.77Å; L493-Y495 VanDerWaalsContact O-N 3.1Å
494	P	95.8	Very high	91	Very high	7 Å²	7	21.2 Å²	21.2	5%	0.045	11%	0.106	C	C	.	.	S	Bend	trans	-68.8	-1.9	175	24.7	-27.6	0	0	0	112.8	T46 I458	T46-P494 HydrophobicContact CG2-CG 3.76Å; I458-P494 HydrophobicContact CB-CB 4.4Å; I458-P494 HydrophobicContact CG1-CB 3.63Å; I458-P494 WeakPolarHBondContact CG1-O 3.45Å; I458-P494 WeakPolarHBondContact CG2-O 3.25Å
495	Y	95.6	Very high	89.8	Confident	3 Å²	3	26.1 Å²	26.1	1%	0.012	14%	0.142	C	C	.	.	S	Bend	trans	-138.2	161.3	-178.3	52.7	-102.9	0	0	0	110.3	T46 D398 K436 V437 E438 L482 L493 V497	T46-Y495 HydrophobicContact CG2-CE1 4.38Å; T46-Y495 VanDerWaalsContact OG1-CE1 3.25Å; T46-Y495 WeakPolarHBondContact OG1-CE1 3.22Å; D398-Y495 HydrophobicContact CB-CE2 3.96Å; D398-Y495 WeakPolarHBondContact CB-OH 3.09Å; D398-Y495 PolarHBondContact N-OH 2.88Å; K436-Y495 HydrophobicContact CD-CD2 4.26Å; K436-Y495 HydrophobicContact CD-CG 4.39Å; K436-Y495 VanDerWaalsContact CE-CD1 3.45Å; K436-Y495 HydrophobicContact CG-CD2 4.26Å; K436-Y495 HydrophobicContact CG-CG 4.37Å; V437-Y495 CarbonylContact O-C 3.56Å; V437-Y495 VanDerWaalsContact O-CA 3.29Å; V437-Y495 WeakPolarHBondContact O-CA 3.21Å; E438-Y495 VanDerWaalsContact CG-CB 3.46Å; L482-Y495 VanDerWaalsContact CD2-C 3.45Å; L493-Y495 HydrophobicContact CB-CD2 4.15Å; L493-Y495 HydrophobicContact CB-CE1 4.48Å; L493-Y495 HydrophobicContact CB-CE2 4.05Å; L493-Y495 HydrophobicContact CB-CG 4.45Å; L493-Y495 WeakPolarHBondContact CB-O 3.47Å; L493-Y495 HydrophobicContact CD1-CD2 4.42Å; L493-Y495 HydrophobicContact CD1-CE2 3.71Å; L493-Y495 HydrophobicContact CD2-CE2 4.46Å; L493-Y495 HydrophobicContact CG-CE2 4.28Å; L493-Y495 PolarHBondContact O-N 2.77Å; L493-Y495 VanDerWaalsContact O-N 3.1Å; Y495-V497 HydrophobicContact CD2-CG2 3.94Å; Y495-V497 HydrophobicContact CE2-CG2 3.95Å
496	K	96.8	Very high	88.8	Confident	20 Å²	20	29.7 Å²	29.7	9%	0.087	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.9	166.2	-179.3	63.5	171.9	-167.2	0	109.7	E268 K436 V437 H480 L482 F498	E268-K496 IonicContact OE1-NZ 3.06Å; E268-K496 IonicContact OE2-NZ 2.72Å; E268-K496 PolarHBondContact OE2-NZ 3.42Å; K436-K496 CarbonylContact C-O 3.56Å; K436-K496 VanDerWaalsContact CA-O 3.3Å; K436-K496 WeakPolarHBondContact CA-O 3.38Å; V437-K496 PolarHBondContact N-O 3.48Å; V437-K496 PolarHBondContact O-N 2.6Å; H480-K496 HydrophobicContact CB-CB 4.16Å; H480-K496 HydrophobicContact CB-CD 3.66Å; H480-K496 HydrophobicContact CB-CG 3.67Å; L482-K496 HydrophobicContact CD2-CB 4.12Å; K496-F498 HydrophobicContact CB-CE2 4.07Å; K496-F498 HydrophobicContact CB-CZ 4.31Å; K496-F498 HydrophobicContact CG-CD1 4.17Å; K496-F498 HydrophobicContact CG-CD2 3.93Å; K496-F498 HydrophobicContact CG-CE1 3.82Å; K496-F498 HydrophobicContact CG-CE2 3.57Å; K496-F498 HydrophobicContact CG-CG 4.22Å; K496-F498 HydrophobicContact CG-CZ 3.52Å
497	V	94.8	Very high	88.1	Confident	5 Å²	5	28.9 Å²	28.9	3%	0.03	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	115.5	164.5	179.9	0	0	0	0	107.4	D398 G403 L405 F434 K436 Y495	D398-V497 HydrophobicContact CB-CG2 4.49Å; G403-V497 WeakPolarHBondContact O-CG1 3.3Å; L405-V497 HydrophobicContact CD2-CB 4.21Å; L405-V497 HydrophobicContact CD2-CG2 4.06Å; L405-V497 HydrophobicContact CG-CB 4.49Å; F434-V497 HydrophobicContact CB-CG1 4.31Å; K436-V497 HydrophobicContact CB-CG2 4.38Å; K436-V497 HydrophobicContact CD-CG2 4.18Å; K436-V497 HydrophobicContact CG-CG2 4.07Å; Y495-V497 HydrophobicContact CD2-CG2 3.94Å; Y495-V497 HydrophobicContact CE2-CG2 3.95Å
498	F	94.1	Very high	87.8	Confident	11 Å²	11	31.4 Å²	31.4	5%	0.048	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.3	168	-63.4	-80.7	0	0	0	108	F434 L435 V437 V464 V466 H480 K496 L500	F434-F498 CarbonylContact C-O 3.52Å; F434-F498 VanDerWaalsContact CA-O 3.24Å; F434-F498 WeakPolarHBondContact CA-O 3.33Å; L435-F498 HydrophobicContact CB-CB 4.4Å; L435-F498 PolarHBondContact N-O 2.73Å; L435-F498 PolarHBondContact O-N 3.22Å; V437-F498 HydrophobicContact CG2-CD2 4.42Å; V437-F498 HydrophobicContact CG2-CE2 4.27Å; V464-F498 HydrophobicContact CB-CE2 4.41Å; V464-F498 HydrophobicContact CB-CZ 4.39Å; V464-F498 HydrophobicContact CG1-CE2 3.81Å; V464-F498 HydrophobicContact CG1-CZ 4.1Å; V466-F498 HydrophobicContact CG1-CD2 4.11Å; V466-F498 HydrophobicContact CG1-CE2 4.08Å; V466-F498 HydrophobicContact CG1-CZ 4.45Å; V466-F498 HydrophobicContact CG2-CB 4.36Å; V466-F498 HydrophobicContact CG2-CD1 3.66Å; V466-F498 HydrophobicContact CG2-CD2 4.23Å; V466-F498 HydrophobicContact CG2-CE1 3.92Å; V466-F498 HydrophobicContact CG2-CE2 4.45Å; V466-F498 HydrophobicContact CG2-CG 3.82Å; V466-F498 HydrophobicContact CG2-CZ 4.3Å; H480-F498 HydrophobicContact CB-CZ 4.45Å; K496-F498 HydrophobicContact CB-CE2 4.07Å; K496-F498 HydrophobicContact CB-CZ 4.31Å; K496-F498 HydrophobicContact CG-CD1 4.17Å; K496-F498 HydrophobicContact CG-CD2 3.93Å; K496-F498 HydrophobicContact CG-CE1 3.82Å; K496-F498 HydrophobicContact CG-CE2 3.57Å; K496-F498 HydrophobicContact CG-CG 4.22Å; K496-F498 HydrophobicContact CG-CZ 3.52Å; F498-L500 HydrophobicContact CB-CD2 4.19Å
499	G	91.5	Very high	87.7	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130	163.4	0	0	0	0	0	108.8	D335 G340	D335-G499 WeakPolarHBondContact OD2-CA 3.41Å; D335-G499 PolarHBondContact OD2-N 2.6Å; D335-G499 VanDerWaalsContact OD2-N 3.11Å; G340-G499 WeakPolarHBondContact CA-O 3.31Å; G340-G499 PolarHBondContact N-O 3.4Å
500	L	89.6	Confident	87.8	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.021	16%	0.163	C	C	.	.			trans	-105.9	7.5	-178.8	-52.9	173.1	0	0	0	110.4	T433 L435 F468 F498 S503 I507 P529	T433-L500 WeakPolarHBondContact O-CB 3.33Å; T433-L500 PolarHBondContact O-N 2.84Å; T433-L500 WeakPolarHBondContact OG1-CB 3.36Å; L435-L500 HydrophobicContact CB-CD1 4.34Å; F468-L500 HydrophobicContact CD1-CD2 3.64Å; F468-L500 HydrophobicContact CD2-CB 4.38Å; F468-L500 HydrophobicContact CD2-CD2 4.18Å; F468-L500 HydrophobicContact CE1-CD2 3.67Å; F468-L500 HydrophobicContact CE2-CB 4.25Å; F468-L500 HydrophobicContact CE2-CD2 4.2Å; F468-L500 HydrophobicContact CG-CD2 3.91Å; F468-L500 HydrophobicContact CZ-CD2 3.95Å; F498-L500 HydrophobicContact CB-CD2 4.19Å; L500-S503 VanDerWaalsContact O-CB 3.31Å; L500-S503 WeakPolarHBondContact O-CB 3.39Å; L500-S503 PolarHBondContact O-N 3.27Å; L500-I507 HydrophobicContact CD1-CD1 3.73Å; L500-I507 HydrophobicContact CD1-CG1 3.86Å; L500-P529 HydrophobicContact CD1-CB 4.14Å
501	G	84.2	Confident	88	Confident	13 Å²	13	30.6 Å²	30.6	13%	0.134	16%	0.162	C	C	.	.			trans	56	-142.1	-174	0	0	0	0	0	111.7	S338 T432 T433 S503	S338-G501 VanDerWaalsContact O-CA 3.24Å; S338-G501 WeakPolarHBondContact O-CA 3.35Å; S338-G501 PolarHBondContact O-N 3.43Å; T432-G501 WeakPolarHBondContact CA-O 3.41Å; T433-G501 PolarHBondContact N-O 3.18Å; T433-G501 PolarHBondContact OG1-O 3.28Å; G501-S503 VanDerWaalsContact C-N 3.33Å; G501-S503 PolarHBondContact O-N 3.09Å
502	R	78.5	Confident	88.1	Confident	160 Å²	160	30 Å²	30	60%	0.604	16%	0.158	S	C	*	.	S	Bend	trans	-84.3	82.1	164.6	-65.5	-178.8	-179.4	174.3	1.8	107.8	L471	L471-R502 HydrophobicContact CD1-CB 3.92Å; L471-R502 HydrophobicContact CG-CB 4.39Å; L471-R502 WeakPolarHBondContact CG-O 2.8Å
503	S	68.9	Low	88.1	Confident	13 Å²	13	28.8 Å²	28.8	9%	0.091	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-84.7	166.1	177.6	77.3	0	0	0	0	112.7	T433 L500 G501	T433-S503 WeakPolarHBondContact OG1-CB 3.32Å; T433-S503 PolarHBondContact OG1-OG 2.85Å; L500-S503 VanDerWaalsContact O-CB 3.31Å; L500-S503 WeakPolarHBondContact O-CB 3.39Å; L500-S503 PolarHBondContact O-N 3.27Å; G501-S503 VanDerWaalsContact C-N 3.33Å; G501-S503 PolarHBondContact O-N 3.09Å
504	L	66.7	Low	88	Confident	64 Å²	64	27.7 Å²	27.7	34%	0.335	15%	0.146	S	C	.	.			trans	-62.1	169.7	162.4	-67.3	167.9	0	0	0	111.6	K469 L471 F506	K469-L504 HydrophobicContact CB-CD1 4.02Å; K469-L504 PolarHBondContact O-N 3.4Å; L471-L504 HydrophobicContact CD2-CD2 4.13Å; L504-F506 PolarHBondContact O-N 2.78Å
505	S	71.2	Confident	87.8	Confident	110 Å²	110	27.4 Å²	27.4	77%	0.769	15%	0.145	S	C	*	.	S	Bend	trans	-67.6	0.3	-176.6	57.1	0	0	0	0	115.5	P529	S505-P529 WeakPolarHBondContact O-CD 3.3Å
506	F	76.2	Confident	87.6	Confident	78 Å²	78	27.7 Å²	27.7	34%	0.342	15%	0.147	S	C	.	.	S	Bend	trans	-149.6	152.5	176.5	68.9	-85.6	0	0	0	112.1	L504 E508 H526	L504-F506 PolarHBondContact O-N 2.78Å; F506-E508 HydrophobicContact CE2-CG 4.12Å; F506-H526 AromaticContact CD2-ND1 3.88Å
507	I	82.2	Confident	87.3	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.5	167.7	-57.9	169.5	0	0	0	107.1	L435 V466 H467 F468 L500 G509 H526 V527 P529	L435-I507 HydrophobicContact CB-CD1 3.86Å; L435-I507 HydrophobicContact CD1-CD1 3.95Å; L435-I507 HydrophobicContact CD2-CD1 3.8Å; L435-I507 HydrophobicContact CG-CD1 4.07Å; V466-I507 HydrophobicContact CB-CG2 4.42Å; H467-I507 VanDerWaalsContact O-CG2 3.25Å; H467-I507 WeakPolarHBondContact O-CG2 3.47Å; F468-I507 HydrophobicContact CB-CG2 4.33Å; L500-I507 HydrophobicContact CD1-CD1 3.73Å; L500-I507 HydrophobicContact CD1-CG1 3.86Å; I507-G509 WeakPolarHBondContact CG2-O 3.29Å; I507-H526 WeakPolarHBondContact O-CA 3.27Å; I507-H526 PolarHBondContact O-N 3.14Å; I507-V527 HydrophobicContact CB-CB 3.95Å; I507-V527 HydrophobicContact CD1-CB 4.22Å; I507-V527 HydrophobicContact CD1-CG1 4.21Å; I507-V527 HydrophobicContact CG2-CB 4.32Å; I507-V527 PolarHBondContact N-O 2.82Å; I507-V527 PolarHBondContact O-N 3.12Å; I507-P529 HydrophobicContact CG1-CG 4.29Å
508	E	89.8	Confident	86.7	Confident	54 Å²	54	29.7 Å²	29.7	25%	0.252	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	-48.8	-174.6	-61.5	-165.8	135.6	0	0	110.8	H467 K469 F506 M525 H526	H467-E508 WeakPolarHBondContact O-CB 3.49Å; H467-E508 PolarHBondContact O-N 3.34Å; K469-E508 VanDerWaalsContact CD-OE1 3.28Å; K469-E508 WeakPolarHBondContact CD-OE1 3.36Å; K469-E508 WeakPolarHBondContact CE-OE1 3.38Å; K469-E508 IonicContact NZ-OE1 3.66Å; K469-E508 PolarHBondContact NZ-OE1 3.43Å; K469-E508 IonicContact NZ-OE2 3.55Å; F506-E508 HydrophobicContact CE2-CG 4.12Å; E508-M525 WeakPolarHBondContact O-CA 3.46Å; E508-M525 WeakPolarHBondContact O-CE 3.42Å; E508-H526 PolarHBondContact O-N 3.02Å
509	G	92.4	Very high	85.7	Confident	9 Å²	9	35.7 Å²	35.7	9%	0.093	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	155.4	178.9	0	0	0	0	0	113	V466 H467 I507 W524	V466-G509 WeakPolarHBondContact CA-O 3.4Å; H467-G509 PolarHBondContact N-O 3.03Å; H467-G509 PolarHBondContact O-N 3.17Å; I507-G509 WeakPolarHBondContact CG2-O 3.29Å; G509-W524 CarbonylContact C-O 3.54Å; G509-W524 VanDerWaalsContact CA-O 3.29Å; G509-W524 WeakPolarHBondContact CA-O 3.34Å
510	M	95	Very high	85.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.7	170	174.5	-169.6	163.2	0	0	108.1	L435 V437 V464 Q465 V466 T512 G523 W524 V527 L533 V535	L435-M510 HydrophobicContact CD2-SD 4.17Å; V437-M510 HydrophobicContact CB-CE 4.33Å; V437-M510 HydrophobicContact CG1-CE 3.42Å; V437-M510 VanDerWaalsContact CG1-CE 3.42Å; V437-M510 HydrophobicContact CG2-CE 3.92Å; V437-M510 HydrophobicContact CG2-SD 4.33Å; V464-M510 HydrophobicContact CG1-CE 3.81Å; V464-M510 HydrophobicContact CG1-CG 4.35Å; Q465-M510 CarbonylContact O-C 3.47Å; Q465-M510 VanDerWaalsContact O-CA 3.24Å; Q465-M510 WeakPolarHBondContact O-CA 3.25Å; V466-M510 HydrophobicContact CG1-CB 4.27Å; V466-M510 HydrophobicContact CG1-CG 4.09Å; M510-T512 WeakPolarHBondContact CE-OG1 3.22Å; M510-G523 CarbonylContact O-C 3.36Å; M510-G523 WeakPolarHBondContact O-CA 3.26Å; M510-W524 HydrophobicContact CE-CZ3 4.37Å; M510-W524 PolarHBondContact N-O 3.08Å; M510-W524 PolarHBondContact O-N 2.81Å; M510-V527 HydrophobicContact CB-CG2 3.71Å; M510-L533 HydrophobicContact CE-CD1 4.37Å; M510-L533 HydrophobicContact SD-CD1 3.55Å; M510-L533 VanDerWaalsContact SD-CD1 3.55Å; M510-V535 HydrophobicContact CE-CG2 3.98Å
511	S	96.5	Very high	85.2	Confident	28 Å²	28	37.7 Å²	37.7	20%	0.196	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	150.1	174.1	-56.1	0	0	0	0	110.3	Q465 I522	Q465-S511 PolarHBondContact N-O 2.73Å; Q465-S511 PolarHBondContact O-N 2.84Å; S511-I522 CarbonylContact C-O 3.6Å; S511-I522 VanDerWaalsContact CA-O 3.24Å; S511-I522 WeakPolarHBondContact CA-O 3.19Å
512	T	97	Very high	85.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	140.8	175.9	-59.6	0	0	0	0	109.5	V439 T463 V464 M510 S521 I522 V535	V439-T512 HydrophobicContact CG1-CG2 4.18Å; V439-T512 HydrophobicContact CG2-CG2 3.62Å; T463-T512 CarbonylContact O-C 3.55Å; T463-T512 VanDerWaalsContact O-CA 3.25Å; T463-T512 WeakPolarHBondContact O-CA 3.26Å; V464-T512 HydrophobicContact CG2-CG2 4.2Å; M510-T512 WeakPolarHBondContact CE-OG1 3.22Å; T512-S521 CarbonylContact O-C 3.59Å; T512-S521 WeakPolarHBondContact O-CA 3.41Å; T512-S521 WeakPolarHBondContact O-CB 3.07Å; T512-I522 PolarHBondContact N-O 3.22Å; T512-I522 PolarHBondContact O-N 3.35Å; T512-V535 HydrophobicContact CG2-CB 4.48Å; T512-V535 HydrophobicContact CG2-CG1 4.14Å; T512-V535 HydrophobicContact CG2-CG2 4.4Å
513	G	96	Very high	86.2	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	165.2	170.2	0	0	0	0	0	112.2	L201 S462 T463 S520	L201-G513 CarbonylContact O-C 3.23Å; L201-G513 WeakPolarHBondContact O-CA 3.49Å; S462-G513 CarbonylContact C-O 3.54Å; S462-G513 WeakPolarHBondContact CA-O 3.2Å; T463-G513 PolarHBondContact N-O 2.78Å; T463-G513 PolarHBondContact O-N 3.29Å; G513-S520 WeakPolarHBondContact CA-O 3.2Å
514	I	95.2	Very high	87.4	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	20%	0.199	C	C	.	.			trans	-127.9	156.8	177.3	68.3	177	0	0	0	109.7	V439 P442 T516 S520 P537 A540 W546	V439-I514 HydrophobicContact CG1-CG2 4.07Å; P442-I514 HydrophobicContact CB-CD1 3.99Å; P442-I514 HydrophobicContact CG-CD1 4.3Å; I514-T516 PolarHBondContact O-N 3.42Å; I514-S520 PolarHBondContact N-O 2.88Å; I514-P537 HydrophobicContact CD1-CB 4.18Å; I514-P537 HydrophobicContact CG2-CB 3.88Å; I514-P537 HydrophobicContact CG2-CG 3.92Å; I514-A540 HydrophobicContact CD1-CB 3.91Å; I514-W546 HydrophobicContact CB-CH2 4.4Å; I514-W546 HydrophobicContact CD1-CH2 4.13Å; I514-W546 HydrophobicContact CD1-CZ2 3.93Å; I514-W546 HydrophobicContact CG1-CH2 3.84Å; I514-W546 HydrophobicContact CG1-CZ2 4.1Å; I514-W546 HydrophobicContact CG2-CH2 3.99Å; I514-W546 HydrophobicContact CG2-CZ3 4.43Å
515	P	92.7	Very high	88.5	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.006	21%	0.213	C	C	.	.	S	Bend	trans	-62.8	124.1	171.8	-13.6	26.6	0	0	0	110.6	I194 P460	I194-P515 HydrophobicContact CD1-CB 3.97Å; I194-P515 HydrophobicContact CD1-CG 3.82Å; I194-P515 HydrophobicContact CG1-CG 4.35Å; P460-P515 WeakPolarHBondContact O-CG 3.18Å
516	T	91.2	Very high	89.3	Confident	9 Å²	9	38.3 Å²	38.3	6%	0.055	21%	0.206	C	C	.	.			trans	-165.4	173.5	178.2	-178	0	0	0	0	110.6	C146 I514 S518 S520	C146-T516 VanDerWaalsContact SG-CA 3.59Å; I514-T516 PolarHBondContact O-N 3.42Å; T516-S518 WeakPolarHBondContact CG2-O 3.29Å; T516-S520 VanDerWaalsContact CG2-OG 3.23Å; T516-S520 WeakPolarHBondContact CG2-OG 3.38Å
517	W	89.9	Confident	89.8	Confident	28 Å²	28	34.8 Å²	34.8	11%	0.106	19%	0.19	C	C	.	.	S	Bend	trans	-74.2	-25.8	178.5	-61.3	121.3	0	0	0	114.9	N145 C146 T226 E228 K231 Q232 W233	N145-W517 PolarHBondContact O-NE1 2.89Å; C146-W517 HydrophobicContact CB-CD2 4.22Å; C146-W517 HydrophobicContact CB-CG 4.16Å; C146-W517 HydrophobicContact CB-CZ2 4.38Å; T226-W517 HydrophobicContact CG2-CE3 3.98Å; T226-W517 HydrophobicContact CG2-CZ3 3.94Å; E228-W517 WeakPolarHBondContact CA-O 3.15Å; E228-W517 WeakPolarHBondContact CB-O 3.25Å; E228-W517 WeakPolarHBondContact CG-O 3.41Å; K231-W517 HydrophobicContact CB-CD2 3.89Å; K231-W517 HydrophobicContact CB-CE3 4.49Å; K231-W517 HydrophobicContact CB-CG 3.92Å; K231-W517 HydrophobicContact CD-CG 4.35Å; K231-W517 HydrophobicContact CG-CB 4.19Å; K231-W517 HydrophobicContact CG-CD2 4.39Å; K231-W517 HydrophobicContact CG-CG 3.92Å; K231-W517 WeakPolarHBondContact O-CZ2 3.28Å; Q232-W517 WeakPolarHBondContact O-CZ3 3.36Å; W233-W517 AromaticContact CD1-CH2 3.73Å; W233-W517 HydrophobicContact CD2-CZ3 4.48Å; W233-W517 HydrophobicContact CG-CH2 4.36Å; W233-W517 HydrophobicContact CG-CZ3 4.48Å; W233-W517 AromaticContact NE1-CH2 3.56Å
518	S	81.1	Confident	90.1	Very high	39 Å²	39	39 Å²	39	27%	0.273	22%	0.216	S	C	.	.	S	Bend	trans	-133.9	164.5	-171.2	59.7	0	0	0	0	111.8	E228 T516 S520	E228-S518 VanDerWaalsContact OE1-CB 3.26Å; E228-S518 WeakPolarHBondContact OE1-CB 3.18Å; T516-S518 WeakPolarHBondContact CG2-O 3.29Å; S518-S520 PolarHBondContact O-N 2.81Å; S518-S520 PolarHBondContact O-OG 3.06Å; S518-S520 VanDerWaalsContact O-OG 3.1Å
519	H	73.8	Confident	90	Very high	138 Å²	138	37.1 Å²	37.1	64%	0.639	21%	0.208	S	C	*	.			trans	-45.1	103.1	178.9	-75.1	-62	0	0	0	113.3
520	S	81.3	Confident	89.7	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.007	23%	0.228	C	C	.	.			trans	-127.9	67.2	176.5	-60	0	0	0	0	110.2	G513 I514 T516 S518 A540 W546	G513-S520 WeakPolarHBondContact CA-O 3.2Å; I514-S520 PolarHBondContact N-O 2.88Å; T516-S520 VanDerWaalsContact CG2-OG 3.23Å; T516-S520 WeakPolarHBondContact CG2-OG 3.38Å; S518-S520 PolarHBondContact O-N 2.81Å; S518-S520 PolarHBondContact O-OG 3.06Å; S518-S520 VanDerWaalsContact O-OG 3.1Å; S520-A540 PolarHBondContact OG-O 3.24Å; S520-W546 WeakPolarHBondContact O-CH2 3.27Å
521	S	88.6	Confident	89.4	Confident	46 Å²	46	41.5 Å²	41.5	32%	0.322	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.3	172.5	64.5	0	0	0	0	111.8	T512 P543	T512-S521 CarbonylContact O-C 3.59Å; T512-S521 WeakPolarHBondContact O-CA 3.41Å; T512-S521 WeakPolarHBondContact O-CB 3.07Å; S521-P543 VanDerWaalsContact O-CB 3.27Å; S521-P543 WeakPolarHBondContact O-CB 3.44Å
522	I	92.4	Very high	89	Confident	24 Å²	24	41.8 Å²	41.8	12%	0.123	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	141.1	177.2	-179.7	163.7	0	0	0	109.3	S511 T512 W524 P543 W546	S511-I522 CarbonylContact C-O 3.6Å; S511-I522 VanDerWaalsContact CA-O 3.24Å; S511-I522 WeakPolarHBondContact CA-O 3.19Å; T512-I522 PolarHBondContact N-O 3.22Å; T512-I522 PolarHBondContact O-N 3.35Å; I522-W524 HydrophobicContact CB-CH2 4.5Å; I522-W524 HydrophobicContact CB-CZ2 4.43Å; I522-W524 HydrophobicContact CD1-CZ2 3.87Å; I522-W524 HydrophobicContact CG1-CD2 4.45Å; I522-W524 HydrophobicContact CG1-CZ2 4.05Å; I522-W524 HydrophobicContact CG2-CE3 4.45Å; I522-W524 HydrophobicContact CG2-CH2 3.27Å; I522-W524 HydrophobicContact CG2-CZ2 3.52Å; I522-W524 HydrophobicContact CG2-CZ3 3.78Å; I522-P543 HydrophobicContact CB-CB 4.18Å; I522-P543 WeakPolarHBondContact CD1-O 3.15Å; I522-W546 HydrophobicContact CG2-CB 4.36Å; I522-W546 HydrophobicContact CG2-CD2 4.24Å; I522-W546 HydrophobicContact CG2-CE3 3.47Å; I522-W546 VanDerWaalsContact CG2-CE3 3.47Å; I522-W546 HydrophobicContact CG2-CZ3 4.11Å
523	G	93	Very high	88.8	Confident	49 Å²	49	42.3 Å²	42.3	51%	0.505	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	143.1	173.7	0	0	0	0	0	111.6	M510	M510-G523 CarbonylContact O-C 3.36Å; M510-G523 WeakPolarHBondContact O-CA 3.26Å
524	W	92.7	Very high	88.5	Confident	41 Å²	41	43.2 Å²	43.2	16%	0.155	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.8	172.8	-62.1	-80.2	0	0	0	110.5	G509 M510 I522 V535 R548	G509-W524 CarbonylContact C-O 3.54Å; G509-W524 VanDerWaalsContact CA-O 3.29Å; G509-W524 WeakPolarHBondContact CA-O 3.34Å; M510-W524 HydrophobicContact CE-CZ3 4.37Å; M510-W524 PolarHBondContact N-O 3.08Å; M510-W524 PolarHBondContact O-N 2.81Å; I522-W524 HydrophobicContact CB-CH2 4.5Å; I522-W524 HydrophobicContact CB-CZ2 4.43Å; I522-W524 HydrophobicContact CD1-CZ2 3.87Å; I522-W524 HydrophobicContact CG1-CD2 4.45Å; I522-W524 HydrophobicContact CG1-CZ2 4.05Å; I522-W524 HydrophobicContact CG2-CE3 4.45Å; I522-W524 HydrophobicContact CG2-CH2 3.27Å; I522-W524 HydrophobicContact CG2-CZ2 3.52Å; I522-W524 HydrophobicContact CG2-CZ3 3.78Å; W524-V535 HydrophobicContact CH2-CG1 3.93Å; W524-V535 HydrophobicContact CH2-CG2 4.12Å; W524-V535 HydrophobicContact CZ3-CG2 4.22Å; W524-R548 VanDerWaalsContact CB-CZ 3.47Å; W524-R548 HydrophobicContact CH2-CB 4.19Å; W524-R548 HydrophobicContact CZ2-CB 3.85Å
525	M	91	Very high	88.5	Confident	128 Å²	128	43.1 Å²	43.1	63%	0.631	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	159.5	176.8	-59.6	-59.6	-68.9	0	0	111.9	E508	E508-M525 WeakPolarHBondContact O-CA 3.46Å; E508-M525 WeakPolarHBondContact O-CE 3.42Å
526	H	86.6	Confident	88.5	Confident	131 Å²	131	43.4 Å²	43.4	61%	0.606	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	55.7	57.7	171.2	-55.5	-61.3	0	0	0	113.3	F506 I507 E508	F506-H526 AromaticContact CD2-ND1 3.88Å; I507-H526 WeakPolarHBondContact O-CA 3.27Å; I507-H526 PolarHBondContact O-N 3.14Å; E508-H526 PolarHBondContact O-N 3.02Å
527	V	87.4	Confident	88.6	Confident	3 Å²	3	43 Å²	43	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	139	178.7	-172.9	0	0	0	0	110.2	L435 I507 M510 P529 L533	L435-V527 HydrophobicContact CD1-CG1 4.04Å; L435-V527 HydrophobicContact CD2-CG1 4.48Å; I507-V527 HydrophobicContact CB-CB 3.95Å; I507-V527 HydrophobicContact CD1-CB 4.22Å; I507-V527 HydrophobicContact CD1-CG1 4.21Å; I507-V527 HydrophobicContact CG2-CB 4.32Å; I507-V527 PolarHBondContact N-O 2.82Å; I507-V527 PolarHBondContact O-N 3.12Å; M510-V527 HydrophobicContact CB-CG2 3.71Å; V527-P529 WeakPolarHBondContact O-CD 3.35Å; V527-L533 HydrophobicContact CG1-CD1 3.5Å
528	V	88.2	Confident	88.7	Confident	89 Å²	89	46 Å²	46	54%	0.539	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-78.4	124.9	-177.2	-176.6	0	0	0	0	109.2	S531	V528-S531 WeakPolarHBondContact O-CB 3.22Å; V528-S531 PolarHBondContact O-OG 3.46Å
529	P	88.2	Confident	89.2	Confident	15 Å²	15	45.2 Å²	45.2	10%	0.097	24%	0.238	C	C	.	.	S	Bend	trans	-68.5	170.3	171.1	-16.7	30.5	0	0	0	112	T433 L500 S505 I507 V527 S531	T433-P529 HydrophobicContact CG2-CB 4.36Å; L500-P529 HydrophobicContact CD1-CB 4.14Å; S505-P529 WeakPolarHBondContact O-CD 3.3Å; I507-P529 HydrophobicContact CG1-CG 4.29Å; V527-P529 WeakPolarHBondContact O-CD 3.35Å; P529-S531 PolarHBondContact O-N 2.8Å
530	N	86	Confident	89.9	Confident	94 Å²	94	39 Å²	39	50%	0.503	21%	0.21	S	C	.	.	S	Bend	trans	54.6	41.9	-177.7	-62.4	-23.4	0	0	0	112.3	T433 F434	T433-N530 WeakPolarHBondContact CA-OD1 3.41Å; F434-N530 HydrophobicContact CE1-CB 4.26Å; F434-N530 PolarHBondContact N-OD1 3.38Å; F434-N530 WeakPolarHBondContact O-CA 3.42Å; F434-N530 PolarHBondContact O-N 2.92Å
531	S	87.6	Confident	90.3	Very high	7 Å²	7	43.8 Å²	43.8	5%	0.049	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	147.8	-166.6	99.6	0	0	0	0	109.9	L435 K436 V528 P529 L550	L435-S531 WeakPolarHBondContact CD1-OG 3.38Å; K436-S531 PolarHBondContact N-O 2.89Å; K436-S531 VanDerWaalsContact N-O 3.07Å; V528-S531 WeakPolarHBondContact O-CB 3.22Å; V528-S531 PolarHBondContact O-OG 3.46Å; P529-S531 PolarHBondContact O-N 2.8Å; S531-L550 VanDerWaalsContact CB-CD1 3.43Å
532	R	89.7	Confident	90.4	Very high	34 Å²	34	44.7 Å²	44.7	13%	0.128	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.5	175.4	-51.7	-169	-163.8	152.9	18.5	108.6	E401 F434 K436 Y551 M553	E401-R532 PolarHBondContact O-NE 3.08Å; E401-R532 PolarHBondContact O-NH2 2.88Å; E401-R532 IonicContact OE2-CZ 2.7Å; E401-R532 IonicContact OE2-NH1 2.79Å; E401-R532 PolarHBondContact OE2-NH1 3.17Å; F434-R532 HydrophobicContact CE2-CG 4.4Å; K436-R532 HydrophobicContact CB-CB 4.43Å; K436-R532 HydrophobicContact CB-CG 4.11Å; K436-R532 HydrophobicContact CD-CG 4.4Å; K436-R532 CarbonylContact O-C 3.53Å; K436-R532 WeakPolarHBondContact O-CA 3.37Å; R532-Y551 PolarHBondContact O-N 2.99Å; R532-M553 VanDerWaalsContact NH1-CG 3.26Å; R532-M553 PolarHBondContact NH1-SD 2.81Å; R532-M553 PolarHBondContact NH2-SD 3.4Å
533	L	92.3	Very high	90.4	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.052	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.5	-178.2	-62.1	177	0	0	0	109.3	L435 K436 V437 E438 M510 V527 R548 L550	L435-L533 HydrophobicContact CD1-CD1 3.7Å; L435-L533 HydrophobicContact CD1-CG 4.05Å; L435-L533 HydrophobicContact CD2-CD1 4.26Å; L435-L533 HydrophobicContact CG-CD1 4.4Å; K436-L533 PolarHBondContact O-N 3.26Å; V437-L533 VanDerWaalsContact CA-O 3.31Å; V437-L533 WeakPolarHBondContact CA-O 3.2Å; V437-L533 HydrophobicContact CG2-CB 4.44Å; E438-L533 PolarHBondContact N-O 2.83Å; M510-L533 HydrophobicContact CE-CD1 4.37Å; M510-L533 HydrophobicContact SD-CD1 3.55Å; M510-L533 VanDerWaalsContact SD-CD1 3.55Å; V527-L533 HydrophobicContact CG1-CD1 3.5Å; L533-R548 HydrophobicContact CB-CG 4.44Å; L533-R548 HydrophobicContact CD2-CG 4.14Å; L533-L550 HydrophobicContact CD2-CB 4.21Å; L533-L550 HydrophobicContact CD2-CD1 3.99Å
534	Y	90.3	Very high	90.4	Very high	19 Å²	19	49.4 Å²	49.4	8%	0.075	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.9	165.5	66.6	-82	0	0	0	108.9	R44 E438 E449 I536 K549	R44-Y534 VanDerWaalsContact CZ-OH 3.29Å; R44-Y534 PolarHBondContact NH1-OH 3.09Å; R44-Y534 PolarHBondContact NH2-OH 2.85Å; E438-Y534 WeakPolarHBondContact O-CA 3.16Å; E449-Y534 PolarHBondContact OE1-OH 3.09Å; Y534-I536 HydrophobicContact CD2-CD1 4.36Å; Y534-I536 HydrophobicContact CD2-CG1 4.19Å; Y534-I536 HydrophobicContact CE2-CD1 3.98Å; Y534-I536 HydrophobicContact CE2-CG1 4.32Å; Y534-K549 HydrophobicContact CD1-CB 3.97Å; Y534-K549 WeakPolarHBondContact CD1-O 3.34Å; Y534-K549 HydrophobicContact CD2-CB 4.33Å; Y534-K549 HydrophobicContact CE1-CB 3.28Å; Y534-K549 HydrophobicContact CE1-CD 4.49Å; Y534-K549 HydrophobicContact CE1-CG 4.48Å; Y534-K549 HydrophobicContact CE2-CB 3.74Å; Y534-K549 HydrophobicContact CE2-CD 3.75Å; Y534-K549 HydrophobicContact CE2-CG 4.25Å; Y534-K549 HydrophobicContact CG-CB 4.45Å; Y534-K549 PolarHBondContact N-O 3.05Å; Y534-K549 VanDerWaalsContact N-O 3.14Å; Y534-K549 PolarHBondContact O-N 3.47Å; Y534-K549 WeakPolarHBondContact OH-CB 3.39Å; Y534-K549 WeakPolarHBondContact OH-CD 3.29Å
535	V	93.9	Very high	90.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.3	179.4	-179.6	0	0	0	0	108.1	V437 E438 V439 N440 M510 T512 W524 W546	V437-V535 HydrophobicContact CG1-CG2 4.47Å; E438-V535 PolarHBondContact O-N 3.45Å; V439-V535 HydrophobicContact CG1-CB 4.32Å; V439-V535 HydrophobicContact CG1-CG1 4.45Å; V439-V535 HydrophobicContact CG2-CB 4.28Å; N440-V535 PolarHBondContact N-O 3.15Å; N440-V535 PolarHBondContact ND2-O 2.72Å; N440-V535 VanDerWaalsContact ND2-O 3.09Å; M510-V535 HydrophobicContact CE-CG2 3.98Å; T512-V535 HydrophobicContact CG2-CB 4.48Å; T512-V535 HydrophobicContact CG2-CG1 4.14Å; T512-V535 HydrophobicContact CG2-CG2 4.4Å; W524-V535 HydrophobicContact CH2-CG1 3.93Å; W524-V535 HydrophobicContact CH2-CG2 4.12Å; W524-V535 HydrophobicContact CZ3-CG2 4.22Å; V535-W546 HydrophobicContact CG1-CE3 4.47Å
536	I	93	Very high	90.4	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.036	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	101.3	170.9	-59.4	172.1	0	0	0	106.8	C444 E449 P455 Y534 Y538 S547	C444-I536 HydrophobicContact CB-CG2 4.41Å; C444-I536 WeakPolarHBondContact O-CG2 3.13Å; E449-I536 WeakPolarHBondContact OE1-CD1 3.47Å; P455-I536 HydrophobicContact CG-CD1 4.2Å; P455-I536 HydrophobicContact CG-CG1 4.11Å; Y534-I536 HydrophobicContact CD2-CD1 4.36Å; Y534-I536 HydrophobicContact CD2-CG1 4.19Å; Y534-I536 HydrophobicContact CE2-CD1 3.98Å; Y534-I536 HydrophobicContact CE2-CG1 4.32Å; I536-Y538 PolarHBondContact O-N 3.08Å; I536-S547 PolarHBondContact N-O 2.91Å; I536-S547 PolarHBondContact O-N 2.89Å; I536-S547 VanDerWaalsContact O-N 3.16Å
537	P	94	Very high	90.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.229	C	C	.	.			trans	-82.1	51.6	-176.4	33.6	-33.6	0	0	0	112	V439 N440 P442 I514 P539 A540 W546	V439-P537 HydrophobicContact CG1-CG 4.04Å; N440-P537 WeakPolarHBondContact O-CD 3.24Å; N440-P537 WeakPolarHBondContact O-CG 3.47Å; P442-P537 HydrophobicContact CB-CB 4.5Å; P442-P537 HydrophobicContact CB-CG 3.99Å; P442-P537 WeakPolarHBondContact CB-O 3.42Å; I514-P537 HydrophobicContact CD1-CB 4.18Å; I514-P537 HydrophobicContact CG2-CB 3.88Å; I514-P537 HydrophobicContact CG2-CG 3.92Å; P537-P539 CarbonylContact O-C 3.46Å; P537-A540 WeakPolarHBondContact O-CA 3.2Å; P537-A540 PolarHBondContact O-N 3.32Å; P537-W546 VanDerWaalsContact C-CD1 3.44Å; P537-W546 VanDerWaalsContact CA-CD2 3.46Å; P537-W546 HydrophobicContact CB-CD2 3.64Å; P537-W546 HydrophobicContact CB-CE3 3.78Å; P537-W546 HydrophobicContact CB-CG 4.26Å; P537-W546 HydrophobicContact CB-CH2 3.82Å; P537-W546 HydrophobicContact CB-CZ2 3.67Å; P537-W546 HydrophobicContact CB-CZ3 3.88Å; P537-W546 PolarHBondContact O-NE1 2.79Å
538	Y	91.4	Very high	90.7	Very high	92 Å²	92	49.1 Å²	49.1	36%	0.361	24%	0.241	S	C	.	.			trans	-110.9	136.1	-179.5	-176.7	-87.2	0	0	0	112.4	P442 C444 N445 I536	P442-Y538 VanDerWaalsContact O-CD2 3.25Å; P442-Y538 WeakPolarHBondContact O-CD2 3.17Å; C444-Y538 WeakPolarHBondContact O-CB 3.32Å; N445-Y538 HydrophobicContact CB-CD1 3.77Å; N445-Y538 HydrophobicContact CB-CE1 3.43Å; N445-Y538 VanDerWaalsContact CB-CE1 3.43Å; N445-Y538 HydrophobicContact CB-CE2 4.26Å; N445-Y538 HydrophobicContact CB-CG 4.33Å; I536-Y538 PolarHBondContact O-N 3.08Å
539	P	91.1	Very high	90.7	Very high	22 Å²	22	47.6 Å²	47.6	14%	0.143	23%	0.227	C	C	.	.	S	Bend	cis	-74.7	150	-15.4	34.9	-34.3	0	0	0	109.9	P537 D541 Q542 W546	P537-P539 CarbonylContact O-C 3.46Å; P539-D541 WeakPolarHBondContact CB-OD1 3.29Å; P539-D541 PolarHBondContact O-N 3.21Å; P539-D541 VanDerWaalsContact O-N 3.16Å; P539-Q542 HydrophobicContact CG-CB 3.9Å; P539-Q542 HydrophobicContact CG-CG 4.2Å; P539-Q542 PolarHBondContact O-N 3.23Å; P539-W546 PolarHBondContact O-NE1 2.84Å
540	A	90.1	Very high	90.6	Very high	6 Å²	6	51.1 Å²	51.1	5%	0.05	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-39.3	-174.1	0	0	0	0	0	113.5	Q148 P442 I514 S520 P537 Q542	Q148-A540 HydrophobicContact CG-CB 3.77Å; P442-A540 HydrophobicContact CB-CB 4.07Å; I514-A540 HydrophobicContact CD1-CB 3.91Å; S520-A540 PolarHBondContact OG-O 3.24Å; P537-A540 WeakPolarHBondContact O-CA 3.2Å; P537-A540 PolarHBondContact O-N 3.32Å; A540-Q542 VanDerWaalsContact C-N 3.29Å; A540-Q542 PolarHBondContact O-N 3.45Å
541	D	88.6	Confident	90.1	Very high	103 Å²	103	50 Å²	50	55%	0.551	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.2	-177	68.2	-44.6	0	0	0	114.5	P539	P539-D541 WeakPolarHBondContact CB-OD1 3.29Å; P539-D541 PolarHBondContact O-N 3.21Å; P539-D541 VanDerWaalsContact O-N 3.16Å
542	Q	91	Very high	89.2	Confident	65 Å²	65	56 Å²	56	30%	0.304	26%	0.264	S	S	.	.			trans	-129	77.6	-178.1	-60.9	162	45.8	0	0	111.4	P539 A540 N544 R545	P539-Q542 HydrophobicContact CG-CB 3.9Å; P539-Q542 HydrophobicContact CG-CG 4.2Å; P539-Q542 PolarHBondContact O-N 3.23Å; A540-Q542 VanDerWaalsContact C-N 3.29Å; A540-Q542 PolarHBondContact O-N 3.45Å; Q542-N544 PolarHBondContact O-N 3.19Å; Q542-N544 VanDerWaalsContact O-N 3.07Å; Q542-R545 HydrophobicContact CB-CB 4.42Å; Q542-R545 HydrophobicContact CB-CG 4.32Å; Q542-R545 WeakPolarHBondContact O-CB 3.24Å; Q542-R545 PolarHBondContact O-N 2.82Å; Q542-R545 VanDerWaalsContact OE1-CD 3.27Å
543	P	92.6	Very high	87.9	Confident	17 Å²	17	55.6 Å²	55.6	11%	0.11	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-53.4	-34.8	-178.8	-29	37.1	0	0	0	114.3	S521 I522 R545 W546	S521-P543 VanDerWaalsContact O-CB 3.27Å; S521-P543 WeakPolarHBondContact O-CB 3.44Å; I522-P543 HydrophobicContact CB-CB 4.18Å; I522-P543 WeakPolarHBondContact CD1-O 3.15Å; P543-R545 PolarHBondContact O-N 2.77Å; P543-W546 HydrophobicContact CB-CD2 4.33Å; P543-W546 HydrophobicContact CG-CZ2 4.32Å; P543-W546 VanDerWaalsContact O-CB 3.28Å; P543-W546 WeakPolarHBondContact O-CB 3.47Å; P543-W546 PolarHBondContact O-N 2.85Å
544	N	91.9	Very high	86.4	Confident	154 Å²	154	59.3 Å²	59.3	82%	0.824	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-61.3	-15.7	177.3	-67.8	-36.4	0	0	0	114.5	Q542	Q542-N544 PolarHBondContact O-N 3.19Å; Q542-N544 VanDerWaalsContact O-N 3.07Å
545	R	91.5	Very high	84.9	Confident	178 Å²	178	60.1 Å²	60.1	67%	0.672	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-100.8	-7.5	177	-67.8	-168.6	176.6	-179.3	1	113.5	Q542 P543 S547	Q542-R545 HydrophobicContact CB-CB 4.42Å; Q542-R545 HydrophobicContact CB-CG 4.32Å; Q542-R545 WeakPolarHBondContact O-CB 3.24Å; Q542-R545 PolarHBondContact O-N 2.82Å; Q542-R545 VanDerWaalsContact OE1-CD 3.27Å; P543-R545 PolarHBondContact O-N 2.77Å; R545-S547 PolarHBondContact O-N 3.4Å
546	W	93.3	Very high	83.2	Confident	11 Å²	11	63.7 Å²	63.7	4%	0.042	32%	0.318	C	S	.	.			trans	-59.8	140.3	178.2	-65.4	2.4	0	0	0	110.1	I514 S520 I522 V535 P537 P539 P543	I514-W546 HydrophobicContact CB-CH2 4.4Å; I514-W546 HydrophobicContact CD1-CH2 4.13Å; I514-W546 HydrophobicContact CD1-CZ2 3.93Å; I514-W546 HydrophobicContact CG1-CH2 3.84Å; I514-W546 HydrophobicContact CG1-CZ2 4.1Å; I514-W546 HydrophobicContact CG2-CH2 3.99Å; I514-W546 HydrophobicContact CG2-CZ3 4.43Å; S520-W546 WeakPolarHBondContact O-CH2 3.27Å; I522-W546 HydrophobicContact CG2-CB 4.36Å; I522-W546 HydrophobicContact CG2-CD2 4.24Å; I522-W546 HydrophobicContact CG2-CE3 3.47Å; I522-W546 VanDerWaalsContact CG2-CE3 3.47Å; I522-W546 HydrophobicContact CG2-CZ3 4.11Å; V535-W546 HydrophobicContact CG1-CE3 4.47Å; P537-W546 VanDerWaalsContact C-CD1 3.44Å; P537-W546 VanDerWaalsContact CA-CD2 3.46Å; P537-W546 HydrophobicContact CB-CD2 3.64Å; P537-W546 HydrophobicContact CB-CE3 3.78Å; P537-W546 HydrophobicContact CB-CG 4.26Å; P537-W546 HydrophobicContact CB-CH2 3.82Å; P537-W546 HydrophobicContact CB-CZ2 3.67Å; P537-W546 HydrophobicContact CB-CZ3 3.88Å; P537-W546 PolarHBondContact O-NE1 2.79Å; P539-W546 PolarHBondContact O-NE1 2.84Å; P543-W546 HydrophobicContact CB-CD2 4.33Å; P543-W546 HydrophobicContact CG-CZ2 4.32Å; P543-W546 VanDerWaalsContact O-CB 3.28Å; P543-W546 WeakPolarHBondContact O-CB 3.47Å; P543-W546 PolarHBondContact O-N 2.85Å
547	S	90.7	Very high	81.9	Confident	36 Å²	36	68.2 Å²	68.2	25%	0.252	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142.1	-179.7	74.3	0	0	0	0	110.2	I536 R545	I536-S547 PolarHBondContact N-O 2.91Å; I536-S547 PolarHBondContact O-N 2.89Å; I536-S547 VanDerWaalsContact O-N 3.16Å; R545-S547 PolarHBondContact O-N 3.4Å
548	R	89.3	Confident	80.9	Confident	73 Å²	73	72.6 Å²	72.6	28%	0.275	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.5	171.2	175.7	-175.4	69.7	-178.5	-0.4	107.7	W524 L533	W524-R548 VanDerWaalsContact CB-CZ 3.47Å; W524-R548 HydrophobicContact CH2-CB 4.19Å; W524-R548 HydrophobicContact CZ2-CB 3.85Å; L533-R548 HydrophobicContact CB-CG 4.44Å; L533-R548 HydrophobicContact CD2-CG 4.14Å
549	K	89.1	Confident	80	Confident	57 Å²	57	75.7 Å²	75.7	25%	0.248	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137	-177.6	-70.6	177.6	-175.1	171.8	0	109.7	E449 Y534	E449-K549 IonicContact OE1-NZ 2.87Å; E449-K549 PolarHBondContact OE1-NZ 2.92Å; E449-K549 IonicContact OE2-NZ 2.65Å; E449-K549 PolarHBondContact OE2-NZ 2.96Å; Y534-K549 HydrophobicContact CD1-CB 3.97Å; Y534-K549 WeakPolarHBondContact CD1-O 3.34Å; Y534-K549 HydrophobicContact CD2-CB 4.33Å; Y534-K549 HydrophobicContact CE1-CB 3.28Å; Y534-K549 HydrophobicContact CE1-CD 4.49Å; Y534-K549 HydrophobicContact CE1-CG 4.48Å; Y534-K549 HydrophobicContact CE2-CB 3.74Å; Y534-K549 HydrophobicContact CE2-CD 3.75Å; Y534-K549 HydrophobicContact CE2-CG 4.25Å; Y534-K549 HydrophobicContact CG-CB 4.45Å; Y534-K549 PolarHBondContact N-O 3.05Å; Y534-K549 VanDerWaalsContact N-O 3.14Å; Y534-K549 PolarHBondContact O-N 3.47Å; Y534-K549 WeakPolarHBondContact OH-CB 3.39Å; Y534-K549 WeakPolarHBondContact OH-CD 3.29Å
550	L	86	Confident	79.6	Confident	89 Å²	89	79.7 Å²	79.7	47%	0.466	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.5	176	174.2	66.4	0	0	0	108.8	S531 L533 I552	S531-L550 VanDerWaalsContact CB-CD1 3.43Å; L533-L550 HydrophobicContact CD2-CB 4.21Å; L533-L550 HydrophobicContact CD2-CD1 3.99Å; L550-I552 HydrophobicContact CD2-CD1 4.4Å; L550-I552 HydrophobicContact CD2-CG1 4.45Å; L550-I552 HydrophobicContact CG-CG1 4.35Å
551	Y	75.4	Confident	79.3	Confident	69 Å²	69	81.2 Å²	81.2	27%	0.271	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.2	172.6	-169.8	-105.5	0	0	0	110.4	R44 R532 M553	R44-Y551 VanDerWaalsContact NH1-CD2 3.32Å; R532-Y551 PolarHBondContact O-N 2.99Å; Y551-M553 HydrophobicContact CD1-CG 4.39Å; Y551-M553 HydrophobicContact CE1-CB 4.49Å; Y551-M553 HydrophobicContact CE1-CG 3.69Å
552	I	69.1	Low	79.4	Confident	134 Å²	134	80.8 Å²	80.8	69%	0.687	40%	0.404	S	S	*	.			trans	-119	113	175.4	-57.1	174.4	0	0	0	106.2	L550	L550-I552 HydrophobicContact CD2-CD1 4.4Å; L550-I552 HydrophobicContact CD2-CG1 4.45Å; L550-I552 HydrophobicContact CG-CG1 4.35Å
553	M	62.4	Low	79.4	Confident	26 Å²	26	82.6 Å²	82.6	13%	0.128	41%	0.414	C	S	.	.			trans	-65.1	135.5	173	-98.7	-165.3	173.7	0	0	110.2	C45 E401 R532 Y551 G555	C45-M553 HydrophobicContact CB-CE 4.34Å; C45-M553 WeakPolarHBondContact SG-CE 3.31Å; E401-M553 HydrophobicContact CB-CE 4.37Å; E401-M553 HydrophobicContact CB-SD 3.94Å; E401-M553 HydrophobicContact CG-CE 3.91Å; E401-M553 HydrophobicContact CG-SD 4.12Å; R532-M553 VanDerWaalsContact NH1-CG 3.26Å; R532-M553 PolarHBondContact NH1-SD 2.81Å; R532-M553 PolarHBondContact NH2-SD 3.4Å; Y551-M553 HydrophobicContact CD1-CG 4.39Å; Y551-M553 HydrophobicContact CE1-CB 4.49Å; Y551-M553 HydrophobicContact CE1-CG 3.69Å; M553-G555 PolarHBondContact O-N 2.84Å
554	P	59.6	Low	79.5	Confident	88 Å²	88	86.2 Å²	86.2	57%	0.571	44%	0.436	S	S	*	.			trans	-72	78.8	168.6	30.8	-32.6	0	0	0	109.2	L558	P554-L558 HydrophobicContact CB-CD2 4.13Å
555	G	58.2	Low	79.6	Confident	35 Å²	35	84.6 Å²	84.6	36%	0.361	42%	0.422	S	S	.	.			trans	-62.2	159.9	179	0	0	0	0	0	112.4	M553 V557 L558	M553-G555 PolarHBondContact O-N 2.84Å; G555-V557 PolarHBondContact O-N 3.39Å; G555-V557 VanDerWaalsContact O-N 3.08Å; G555-L558 WeakPolarHBondContact O-CB 3.24Å; G555-L558 PolarHBondContact O-N 2.97Å
556	K	59.3	Low	79.9	Confident	76 Å²	76	79.7 Å²	79.7	33%	0.33	42%	0.415	S	S	.	.	H	α-helix	trans	-49.2	-36	170.7	-74.7	176.2	-179.7	163.9	0	111.8	D65 E67 L558 R559 E560	D65-K556 WeakPolarHBondContact OD2-CE 3.37Å; D65-K556 IonicContact OD2-NZ 3.76Å; D65-K556 PolarHBondContact OD2-NZ 2.99Å; E67-K556 IonicContact OE1-NZ 3.68Å; E67-K556 PolarHBondContact OE1-NZ 3.49Å; E67-K556 IonicContact OE2-NZ 3.71Å; E67-K556 PolarHBondContact OE2-NZ 2.84Å; K556-L558 VanDerWaalsContact C-N 3.29Å; K556-L558 PolarHBondContact O-N 3.32Å; K556-R559 PolarHBondContact O-N 3.38Å; K556-R559 VanDerWaalsContact O-N 3.15Å; K556-E560 WeakPolarHBondContact O-CG 3.49Å; K556-E560 PolarHBondContact O-N 3.17Å
557	V	64.8	Low	80	Confident	101 Å²	101	82.2 Å²	82.2	61%	0.612	44%	0.438	S	S	*	.	H	α-helix	trans	-57	-37.8	174.9	-177.7	0	0	0	0	112.2	G555 E560 S561	G555-V557 PolarHBondContact O-N 3.39Å; G555-V557 VanDerWaalsContact O-N 3.08Å; V557-E560 PolarHBondContact O-N 3.4Å; V557-S561 WeakPolarHBondContact O-CA 3.42Å; V557-S561 WeakPolarHBondContact O-CB 3.43Å; V557-S561 PolarHBondContact O-N 2.63Å; V557-S561 PolarHBondContact O-OG 3.4Å
558	L	72.5	Confident	80.3	Confident	93 Å²	93	85.9 Å²	85.9	49%	0.487	45%	0.45	S	S	.	.	H	α-helix	trans	-64.8	-46.3	177.1	-179.8	62.4	0	0	0	110.7	P554 G555 K556 S561 I562	P554-L558 HydrophobicContact CB-CD2 4.13Å; G555-L558 WeakPolarHBondContact O-CB 3.24Å; G555-L558 PolarHBondContact O-N 2.97Å; K556-L558 VanDerWaalsContact C-N 3.29Å; K556-L558 PolarHBondContact O-N 3.32Å; L558-S561 PolarHBondContact O-N 3.19Å; L558-I562 HydrophobicContact CD1-CD1 4.05Å; L558-I562 HydrophobicContact CD1-CG1 4.32Å; L558-I562 HydrophobicContact CG-CD1 3.91Å; L558-I562 WeakPolarHBondContact O-CB 3.46Å; L558-I562 WeakPolarHBondContact O-CG1 3.28Å; L558-I562 PolarHBondContact O-N 2.77Å
559	R	74.5	Confident	80.7	Confident	157 Å²	157	88.6 Å²	88.6	59%	0.592	46%	0.464	S	S	*	.	H	α-helix	trans	-62.8	-46.5	177.2	-172.5	-175.7	70.5	-169.1	-0.3	111.3	K556 S561 I562 I563	K556-R559 PolarHBondContact O-N 3.38Å; K556-R559 VanDerWaalsContact O-N 3.15Å; R559-S561 VanDerWaalsContact C-N 3.34Å; R559-I562 PolarHBondContact O-N 3.3Å; R559-I563 HydrophobicContact CG-CD1 4.11Å; R559-I563 VanDerWaalsContact O-CG1 3.26Å; R559-I563 WeakPolarHBondContact O-CG1 3.47Å; R559-I563 PolarHBondContact O-N 2.82Å
560	E	80.8	Confident	81.1	Confident	105 Å²	105	88 Å²	88	49%	0.491	47%	0.474	S	S	.	.	H	α-helix	trans	-64.9	-38.2	178.2	-71.7	177.3	179.7	0	0	112.1	K556 V557 I563 T564	K556-E560 WeakPolarHBondContact O-CG 3.49Å; K556-E560 PolarHBondContact O-N 3.17Å; V557-E560 PolarHBondContact O-N 3.4Å; E560-I563 PolarHBondContact O-N 3.41Å; E560-T564 VanDerWaalsContact O-CB 3.28Å; E560-T564 WeakPolarHBondContact O-CB 3.45Å; E560-T564 PolarHBondContact O-N 2.94Å; E560-T564 PolarHBondContact O-OG1 3.01Å
561	S	85.1	Confident	81.6	Confident	39 Å²	39	88.8 Å²	88.8	27%	0.273	48%	0.478	S	S	.	.	H	α-helix	trans	-64.2	-47.5	173.4	-64.6	0	0	0	0	110.6	V557 L558 R559 I563 T564 F565	V557-S561 WeakPolarHBondContact O-CA 3.42Å; V557-S561 WeakPolarHBondContact O-CB 3.43Å; V557-S561 PolarHBondContact O-N 2.63Å; V557-S561 PolarHBondContact O-OG 3.4Å; L558-S561 PolarHBondContact O-N 3.19Å; R559-S561 VanDerWaalsContact C-N 3.34Å; S561-I563 VanDerWaalsContact C-N 3.3Å; S561-I563 PolarHBondContact O-N 3.31Å; S561-T564 PolarHBondContact O-N 3.27Å; S561-F565 WeakPolarHBondContact O-CB 3.43Å; S561-F565 WeakPolarHBondContact O-CD2 3.27Å; S561-F565 WeakPolarHBondContact O-CG 3.44Å; S561-F565 PolarHBondContact O-N 2.85Å
562	I	89.4	Confident	82.6	Confident	94 Å²	94	88.7 Å²	88.7	48%	0.482	48%	0.482	S	S	.	.	H	α-helix	trans	-58.5	-44.1	176.7	-71.2	165.4	0	0	0	110.5	L558 R559 S566	L558-I562 HydrophobicContact CD1-CD1 4.05Å; L558-I562 HydrophobicContact CD1-CG1 4.32Å; L558-I562 HydrophobicContact CG-CD1 3.91Å; L558-I562 WeakPolarHBondContact O-CB 3.46Å; L558-I562 WeakPolarHBondContact O-CG1 3.28Å; L558-I562 PolarHBondContact O-N 2.77Å; R559-I562 PolarHBondContact O-N 3.3Å; I562-S566 WeakPolarHBondContact O-CB 3.05Å; I562-S566 PolarHBondContact O-N 2.77Å; I562-S566 PolarHBondContact O-OG 2.86Å
563	I	92.3	Very high	84	Confident	102 Å²	102	84.1 Å²	84.1	52%	0.523	47%	0.467	S	S	.	.	H	α-helix	trans	-62.7	-47.4	176.8	-68.9	165.8	0	0	0	110.5	R559 E560 S561 S566 A567	R559-I563 HydrophobicContact CG-CD1 4.11Å; R559-I563 VanDerWaalsContact O-CG1 3.26Å; R559-I563 WeakPolarHBondContact O-CG1 3.47Å; R559-I563 PolarHBondContact O-N 2.82Å; E560-I563 PolarHBondContact O-N 3.41Å; S561-I563 VanDerWaalsContact C-N 3.3Å; S561-I563 PolarHBondContact O-N 3.31Å; I563-S566 PolarHBondContact O-N 3.38Å; I563-A567 WeakPolarHBondContact O-CB 3.34Å; I563-A567 PolarHBondContact O-N 3.32Å
564	T	93.8	Very high	85.6	Confident	93 Å²	93	88.5 Å²	88.5	57%	0.571	49%	0.486	S	S	*	.	H	α-helix	trans	-65.3	-46	-178.5	-57.5	0	0	0	0	111.5	E560 S561 A567 F568	E560-T564 VanDerWaalsContact O-CB 3.28Å; E560-T564 WeakPolarHBondContact O-CB 3.45Å; E560-T564 PolarHBondContact O-N 2.94Å; E560-T564 PolarHBondContact O-OG1 3.01Å; S561-T564 PolarHBondContact O-N 3.27Å; T564-A567 PolarHBondContact O-N 2.96Å; T564-F568 VanDerWaalsContact O-CB 3.25Å; T564-F568 WeakPolarHBondContact O-CB 2.88Å; T564-F568 PolarHBondContact O-N 3.42Å
565	F	95.1	Very high	87.4	Confident	120 Å²	120	87.5 Å²	87.5	53%	0.526	48%	0.478	S	S	.	.	H	α-helix	trans	-62.4	-42.9	174.7	-76.4	-57.8	0	0	0	111.2	S561 A567 F568 F569	S561-F565 WeakPolarHBondContact O-CB 3.43Å; S561-F565 WeakPolarHBondContact O-CD2 3.27Å; S561-F565 WeakPolarHBondContact O-CG 3.44Å; S561-F565 PolarHBondContact O-N 2.85Å; F565-A567 PolarHBondContact O-N 2.86Å; F565-F568 PolarHBondContact O-N 2.86Å; F565-F569 HydrophobicContact CB-CD2 4.17Å; F565-F569 HydrophobicContact CB-CE2 4Å; F565-F569 HydrophobicContact CD1-CE2 4.22Å; F565-F569 HydrophobicContact CG-CE2 4.45Å; F565-F569 WeakPolarHBondContact O-CB 3.45Å; F565-F569 WeakPolarHBondContact O-CD2 3.48Å; F565-F569 WeakPolarHBondContact O-CG 3.47Å; F565-F569 PolarHBondContact O-N 2.8Å
566	S	96.3	Very high	89.2	Confident	75 Å²	75	90.9 Å²	90.9	52%	0.524	49%	0.487	S	S	.	.	H	α-helix	trans	-62.9	-42.6	176.6	-61.2	0	0	0	0	111.9	I562 I563 G570	I562-S566 WeakPolarHBondContact O-CB 3.05Å; I562-S566 PolarHBondContact O-N 2.77Å; I562-S566 PolarHBondContact O-OG 2.86Å; I563-S566 PolarHBondContact O-N 3.38Å; S566-G570 PolarHBondContact O-N 2.84Å
567	A	96.7	Very high	91	Very high	65 Å²	65	91.2 Å²	91.2	54%	0.537	49%	0.491	S	S	.	.	H	α-helix	trans	-65.3	-42.9	175.9	0	0	0	0	0	111.8	I563 T564 F565 G570 L571	I563-A567 WeakPolarHBondContact O-CB 3.34Å; I563-A567 PolarHBondContact O-N 3.32Å; T564-A567 PolarHBondContact O-N 2.96Å; F565-A567 PolarHBondContact O-N 2.86Å; A567-G570 PolarHBondContact O-N 2.81Å; A567-L571 WeakPolarHBondContact O-CB 3.45Å; A567-L571 PolarHBondContact O-N 2.93Å
568	F	96.5	Very high	92.4	Very high	112 Å²	112	90.1 Å²	90.1	49%	0.491	48%	0.482	S	S	.	.	H	α-helix	trans	-64.3	-49.3	177.4	-178.8	-107.7	0	0	0	112	T564 F565 G570 L571 I572	T564-F568 VanDerWaalsContact O-CB 3.25Å; T564-F568 WeakPolarHBondContact O-CB 2.88Å; T564-F568 PolarHBondContact O-N 3.42Å; F565-F568 PolarHBondContact O-N 2.86Å; F568-G570 VanDerWaalsContact C-N 3.33Å; F568-G570 PolarHBondContact O-N 2.79Å; F568-L571 PolarHBondContact O-N 2.81Å; F568-I572 HydrophobicContact CD1-CD1 3.79Å; F568-I572 HydrophobicContact CD2-CD1 4.49Å; F568-I572 HydrophobicContact CE1-CD1 3.3Å; F568-I572 HydrophobicContact CE1-CG1 4.49Å; F568-I572 HydrophobicContact CE2-CD1 4.08Å; F568-I572 HydrophobicContact CG-CD1 4.37Å; F568-I572 HydrophobicContact CZ-CD1 3.47Å; F568-I572 VanDerWaalsContact CZ-CD1 3.47Å; F568-I572 HydrophobicContact CZ-CG1 4.44Å; F568-I572 WeakPolarHBondContact O-CG1 3.18Å; F568-I572 PolarHBondContact O-N 3.48Å
569	F	97.2	Very high	93.5	Very high	130 Å²	130	90.6 Å²	90.6	57%	0.57	48%	0.484	S	S	*	.	H	α-helix	trans	-65.4	-35.9	175.8	-69.8	-50.6	0	0	0	112.2	F565 I572 G573	F565-F569 HydrophobicContact CB-CD2 4.17Å; F565-F569 HydrophobicContact CB-CE2 4Å; F565-F569 HydrophobicContact CD1-CE2 4.22Å; F565-F569 HydrophobicContact CG-CE2 4.45Å; F565-F569 WeakPolarHBondContact O-CB 3.45Å; F565-F569 WeakPolarHBondContact O-CD2 3.48Å; F565-F569 WeakPolarHBondContact O-CG 3.47Å; F565-F569 PolarHBondContact O-N 2.8Å; F569-I572 PolarHBondContact O-N 2.94Å; F569-G573 PolarHBondContact O-N 2.95Å
570	G	97.2	Very high	94.5	Very high	44 Å²	44	88.2 Å²	88.2	45%	0.454	48%	0.48	S	S	.	.	H	α-helix	trans	-61.9	-43.9	172.7	0	0	0	0	0	112.5	S566 A567 F568 G573 F574	S566-G570 PolarHBondContact O-N 2.84Å; A567-G570 PolarHBondContact O-N 2.81Å; F568-G570 VanDerWaalsContact C-N 3.33Å; F568-G570 PolarHBondContact O-N 2.79Å; G570-G573 PolarHBondContact O-N 3.44Å; G570-F574 WeakPolarHBondContact O-CB 3.4Å; G570-F574 PolarHBondContact O-N 2.92Å
571	L	97.4	Very high	95.1	Very high	107 Å²	107	91.4 Å²	91.4	56%	0.56	49%	0.487	S	S	*	.	H	α-helix	trans	-63.6	-47	175.7	180	66.5	0	0	0	111.6	A567 F568 G573 F574 V575	A567-L571 WeakPolarHBondContact O-CB 3.45Å; A567-L571 PolarHBondContact O-N 2.93Å; F568-L571 PolarHBondContact O-N 2.81Å; L571-G573 VanDerWaalsContact C-N 3.35Å; L571-G573 PolarHBondContact O-N 3.1Å; L571-F574 PolarHBondContact O-N 3.46Å; L571-V575 WeakPolarHBondContact O-CG2 3.36Å; L571-V575 PolarHBondContact O-N 2.78Å
572	I	96.7	Very high	95.6	Very high	67 Å²	67	98.7 Å²	98.7	34%	0.344	51%	0.509	S	S	.	.	H	α-helix	trans	-59.5	-47.6	176.1	-70.9	173.5	0	0	0	110.2	F568 F569 F574 V575 I576	F568-I572 HydrophobicContact CD1-CD1 3.79Å; F568-I572 HydrophobicContact CD2-CD1 4.49Å; F568-I572 HydrophobicContact CE1-CD1 3.3Å; F568-I572 HydrophobicContact CE1-CG1 4.49Å; F568-I572 HydrophobicContact CE2-CD1 4.08Å; F568-I572 HydrophobicContact CG-CD1 4.37Å; F568-I572 HydrophobicContact CZ-CD1 3.47Å; F568-I572 VanDerWaalsContact CZ-CD1 3.47Å; F568-I572 HydrophobicContact CZ-CG1 4.44Å; F568-I572 WeakPolarHBondContact O-CG1 3.18Å; F568-I572 PolarHBondContact O-N 3.48Å; F569-I572 PolarHBondContact O-N 2.94Å; I572-F574 VanDerWaalsContact C-N 3.3Å; I572-F574 PolarHBondContact O-N 3.42Å; I572-V575 PolarHBondContact O-N 3.28Å; I572-I576 HydrophobicContact CG2-CD1 3.66Å; I572-I576 HydrophobicContact CG2-CG1 4.32Å; I572-I576 VanDerWaalsContact O-CG1 3.29Å; I572-I576 WeakPolarHBondContact O-CG1 3.23Å; I572-I576 PolarHBondContact O-N 2.91Å
573	G	97.2	Very high	95.8	Very high	37 Å²	37	99.4 Å²	99.4	38%	0.381	51%	0.51	S	S	.	.	H	α-helix	trans	-58.2	-41.2	177.3	0	0	0	0	0	112.6	F569 G570 L571 I576 L577	F569-G573 PolarHBondContact O-N 2.95Å; G570-G573 PolarHBondContact O-N 3.44Å; L571-G573 VanDerWaalsContact C-N 3.35Å; L571-G573 PolarHBondContact O-N 3.1Å; G573-I576 PolarHBondContact O-N 3.49Å; G573-L577 WeakPolarHBondContact O-CB 3.49Å; G573-L577 PolarHBondContact O-N 2.84Å
574	F	97.2	Very high	95.8	Very high	118 Å²	118	96.9 Å²	96.9	52%	0.518	50%	0.5	S	S	.	.	H	α-helix	trans	-65.3	-43.8	175.9	178.9	-105	0	0	0	112.7	G570 L571 I572 L577 L578	G570-F574 WeakPolarHBondContact O-CB 3.4Å; G570-F574 PolarHBondContact O-N 2.92Å; L571-F574 PolarHBondContact O-N 3.46Å; I572-F574 VanDerWaalsContact C-N 3.3Å; I572-F574 PolarHBondContact O-N 3.42Å; F574-L577 PolarHBondContact O-N 2.01Å; F574-L578 HydrophobicContact CD1-CD1 3.94Å; F574-L578 HydrophobicContact CD1-CG 4.4Å; F574-L578 HydrophobicContact CE1-CD1 3.32Å; F574-L578 HydrophobicContact CE1-CG 4Å; F574-L578 HydrophobicContact CE2-CD1 4.42Å; F574-L578 HydrophobicContact CE2-CD2 4.49Å; F574-L578 HydrophobicContact CE2-CG 4.28Å; F574-L578 HydrophobicContact CZ-CD1 3.6Å; F574-L578 HydrophobicContact CZ-CD2 4.2Å; F574-L578 HydrophobicContact CZ-CG 3.93Å; F574-L578 WeakPolarHBondContact O-CG 3.42Å; F574-L578 PolarHBondContact O-N 3.26Å
575	V	96.5	Very high	95.7	Very high	68 Å²	68	94.5 Å²	94.5	41%	0.412	49%	0.489	S	S	.	.	H	α-helix	trans	-62.3	-45.8	176.5	171.6	0	0	0	0	110.7	L571 I572 L577 L578 L579	L571-V575 WeakPolarHBondContact O-CG2 3.36Å; L571-V575 PolarHBondContact O-N 2.78Å; I572-V575 PolarHBondContact O-N 3.28Å; V575-L577 VanDerWaalsContact C-N 3.3Å; V575-L577 PolarHBondContact O-N 2.84Å; V575-L578 PolarHBondContact O-N 2.99Å; V575-L579 HydrophobicContact CG1-CD1 3.97Å; V575-L579 HydrophobicContact CG1-CG 4.41Å; V575-L579 WeakPolarHBondContact O-CG 3.41Å; V575-L579 PolarHBondContact O-N 3.19Å
576	I	96.2	Very high	95.4	Very high	105 Å²	105	94.1 Å²	94.1	54%	0.538	49%	0.489	S	S	.	.	H	α-helix	trans	-58.1	-45.2	175.7	-68.7	169.7	0	0	0	110.1	I572 G573 L578 L579 H580	I572-I576 HydrophobicContact CG2-CD1 3.66Å; I572-I576 HydrophobicContact CG2-CG1 4.32Å; I572-I576 VanDerWaalsContact O-CG1 3.29Å; I572-I576 WeakPolarHBondContact O-CG1 3.23Å; I572-I576 PolarHBondContact O-N 2.91Å; G573-I576 PolarHBondContact O-N 3.49Å; I576-L578 PolarHBondContact O-N 3.33Å; I576-L579 PolarHBondContact O-N 2.89Å; I576-H580 VanDerWaalsContact O-CB 3.28Å; I576-H580 WeakPolarHBondContact O-CB 3.3Å; I576-H580 PolarHBondContact O-N 2.9Å
577	L	96.6	Very high	95.1	Very high	83 Å²	83	94.9 Å²	94.9	44%	0.435	49%	0.487	S	S	.	.	H	α-helix	trans	-65.6	-37.7	179.8	-172.2	138.2	0	0	0	112.7	G573 F574 V575 R581	G573-L577 WeakPolarHBondContact O-CB 3.49Å; G573-L577 PolarHBondContact O-N 2.84Å; F574-L577 PolarHBondContact O-N 2.01Å; V575-L577 VanDerWaalsContact C-N 3.3Å; V575-L577 PolarHBondContact O-N 2.84Å; L577-R581 WeakPolarHBondContact O-CB 3.43Å; L577-R581 WeakPolarHBondContact O-CG 3.49Å; L577-R581 PolarHBondContact O-N 3.36Å
578	L	96.3	Very high	94.7	Very high	78 Å²	78	99.7 Å²	99.7	41%	0.408	49%	0.492	S	S	.	.	H	α-helix	trans	-65.9	-43.8	173.9	-77.3	-177.3	0	0	0	112.3	F574 V575 I576 R581 R582	F574-L578 HydrophobicContact CD1-CD1 3.94Å; F574-L578 HydrophobicContact CD1-CG 4.4Å; F574-L578 HydrophobicContact CE1-CD1 3.32Å; F574-L578 HydrophobicContact CE1-CG 4Å; F574-L578 HydrophobicContact CE2-CD1 4.42Å; F574-L578 HydrophobicContact CE2-CD2 4.49Å; F574-L578 HydrophobicContact CE2-CG 4.28Å; F574-L578 HydrophobicContact CZ-CD1 3.6Å; F574-L578 HydrophobicContact CZ-CD2 4.2Å; F574-L578 HydrophobicContact CZ-CG 3.93Å; F574-L578 WeakPolarHBondContact O-CG 3.42Å; F574-L578 PolarHBondContact O-N 3.26Å; V575-L578 PolarHBondContact O-N 2.99Å; I576-L578 PolarHBondContact O-N 3.33Å; L578-R581 PolarHBondContact O-N 2.88Å; L578-R582 PolarHBondContact O-N 3.46Å
579	L	95.4	Very high	94.2	Very high	103 Å²	103	103.5 Å²	103.5	54%	0.539	50%	0.502	S	S	.	.	H	α-helix	trans	-63.9	-45.7	176.9	-71.8	173.8	0	0	0	110.8	V575 I576 R581 R582 E583	V575-L579 HydrophobicContact CG1-CD1 3.97Å; V575-L579 HydrophobicContact CG1-CG 4.41Å; V575-L579 WeakPolarHBondContact O-CG 3.41Å; V575-L579 PolarHBondContact O-N 3.19Å; I576-L579 PolarHBondContact O-N 2.89Å; L579-R581 VanDerWaalsContact C-N 3.35Å; L579-R581 PolarHBondContact O-N 2.88Å; L579-R582 WeakPolarHBondContact O-CB 3.41Å; L579-R582 PolarHBondContact O-N 3.21Å; L579-R582 VanDerWaalsContact O-N 3.09Å; L579-E583 WeakPolarHBondContact O-CB 3.37Å; L579-E583 PolarHBondContact O-N 3.38Å
580	H	94.4	Very high	93.6	Very high	108 Å²	108	101.8 Å²	101.8	50%	0.5	50%	0.496	S	S	.	.	H	α-helix	trans	-61.8	-41.2	176.8	-173.8	58.7	0	0	0	112.1	I576 R582 E583 V584	I576-H580 VanDerWaalsContact O-CB 3.28Å; I576-H580 WeakPolarHBondContact O-CB 3.3Å; I576-H580 PolarHBondContact O-N 2.9Å; H580-R582 VanDerWaalsContact C-N 3.32Å; H580-R582 PolarHBondContact O-N 3.17Å; H580-E583 IonicContact ND1-OE2 3.51Å; H580-E583 PolarHBondContact O-N 3.26Å; H580-V584 WeakPolarHBondContact O-CB 3.35Å; H580-V584 VanDerWaalsContact O-CG2 3.3Å; H580-V584 WeakPolarHBondContact O-CG2 3.23Å; H580-V584 PolarHBondContact O-N 2.83Å
581	R	94.3	Very high	92.8	Very high	171 Å²	171	103 Å²	103	65%	0.645	50%	0.497	S	S	*	.	H	α-helix	trans	-63.5	-36.8	173.4	-79.7	-177.5	172.3	-179.2	0.4	112.8	L577 L578 L579 A585	L577-R581 WeakPolarHBondContact O-CB 3.43Å; L577-R581 WeakPolarHBondContact O-CG 3.49Å; L577-R581 PolarHBondContact O-N 3.36Å; L578-R581 PolarHBondContact O-N 2.88Å; L579-R581 VanDerWaalsContact C-N 3.35Å; L579-R581 PolarHBondContact O-N 2.88Å; R581-A585 VanDerWaalsContact O-CB 3.3Å; R581-A585 WeakPolarHBondContact O-CB 2.91Å; R581-A585 PolarHBondContact O-N 3.14Å
582	R	94.7	Very high	91.9	Very high	192 Å²	192	106.4 Å²	106.4	73%	0.725	50%	0.503	S	S	*	.	H	α-helix	trans	-67.4	-43.5	175.6	-84.4	-174.6	164.7	-172.8	-2.7	111.7	L578 L579 H580 A585 Q586	L578-R582 PolarHBondContact O-N 3.46Å; L579-R582 WeakPolarHBondContact O-CB 3.41Å; L579-R582 PolarHBondContact O-N 3.21Å; L579-R582 VanDerWaalsContact O-N 3.09Å; H580-R582 VanDerWaalsContact C-N 3.32Å; H580-R582 PolarHBondContact O-N 3.17Å; R582-A585 PolarHBondContact O-N 3.28Å; R582-Q586 WeakPolarHBondContact O-CB 3.29Å; R582-Q586 PolarHBondContact O-N 3.41Å
583	E	93.5	Very high	90.9	Very high	110 Å²	110	111.5 Å²	111.5	51%	0.514	52%	0.518	S	S	.	.	H	α-helix	trans	-58.9	-53.5	175.5	-174.8	178.4	-156.3	0	0	110.7	L579 H580 A585 Q586 D587	L579-E583 WeakPolarHBondContact O-CB 3.37Å; L579-E583 PolarHBondContact O-N 3.38Å; H580-E583 IonicContact ND1-OE2 3.51Å; H580-E583 PolarHBondContact O-N 3.26Å; E583-A585 PolarHBondContact O-N 3.13Å; E583-Q586 WeakPolarHBondContact O-CA 3.36Å; E583-Q586 WeakPolarHBondContact O-CB 3.43Å; E583-Q586 PolarHBondContact O-N 2.72Å; E583-D587 PolarHBondContact O-N 2.79Å
584	V	92.9	Very high	89.8	Confident	49 Å²	49	113.7 Å²	113.7	30%	0.297	52%	0.521	S	S	.	.	H	α-helix	trans	-58.1	-36.3	176.2	172.3	0	0	0	0	112.2	H580 R588	H580-V584 WeakPolarHBondContact O-CB 3.35Å; H580-V584 VanDerWaalsContact O-CG2 3.3Å; H580-V584 WeakPolarHBondContact O-CG2 3.23Å; H580-V584 PolarHBondContact O-N 2.83Å; V584-R588 WeakPolarHBondContact O-CB 3.38Å; V584-R588 VanDerWaalsContact O-CG 3.24Å; V584-R588 WeakPolarHBondContact O-CG 3.16Å; V584-R588 PolarHBondContact O-N 2.8Å
585	A	91	Very high	88.6	Confident	43 Å²	43	117 Å²	117	36%	0.355	53%	0.53	S	S	.	.	H	α-helix	trans	-70.7	-34	176	0	0	0	0	0	112.7	R581 R582 E583 R589	R581-A585 VanDerWaalsContact O-CB 3.3Å; R581-A585 WeakPolarHBondContact O-CB 2.91Å; R581-A585 PolarHBondContact O-N 3.14Å; R582-A585 PolarHBondContact O-N 3.28Å; E583-A585 PolarHBondContact O-N 3.13Å; A585-R589 WeakPolarHBondContact O-CG 3.44Å; A585-R589 PolarHBondContact O-N 2.57Å
586	Q	90.1	Very high	87.2	Confident	112 Å²	112	120.6 Å²	120.6	52%	0.523	54%	0.54	S	S	.	.	H	α-helix	trans	-71.9	-44.7	177	-172.1	167.4	-28.9	0	0	111.2	R582 E583 R588 R589 E590	R582-Q586 WeakPolarHBondContact O-CB 3.29Å; R582-Q586 PolarHBondContact O-N 3.41Å; E583-Q586 WeakPolarHBondContact O-CA 3.36Å; E583-Q586 WeakPolarHBondContact O-CB 3.43Å; E583-Q586 PolarHBondContact O-N 2.72Å; Q586-R588 VanDerWaalsContact C-N 3.26Å; Q586-R588 PolarHBondContact O-N 2.76Å; Q586-R589 WeakPolarHBondContact O-CA 3.03Å; Q586-R589 WeakPolarHBondContact O-CB 3.26Å; Q586-R589 PolarHBondContact O-N 3.26Å; Q586-E590 PolarHBondContact O-N 3.2Å
587	D	89.6	Confident	85.7	Confident	90 Å²	90	119.7 Å²	119.7	48%	0.481	54%	0.537	S	S	.	.	H	α-helix	trans	-57.7	-39.1	173.7	-70.4	-11.9	0	0	0	112	E583 R589 E590 S591	E583-D587 PolarHBondContact O-N 2.79Å; D587-R589 VanDerWaalsContact C-N 3.29Å; D587-R589 PolarHBondContact O-N 2.95Å; D587-E590 PolarHBondContact O-N 3.17Å; D587-S591 WeakPolarHBondContact O-CB 3.4Å; D587-S591 PolarHBondContact O-N 3.33Å; D587-S591 PolarHBondContact O-OG 3.1Å
588	R	88.8	Confident	84.2	Confident	167 Å²	167	123.2 Å²	123.2	63%	0.63	55%	0.549	S	S	*	.	H	α-helix	trans	-64.8	-29.7	173.5	-76.1	174.8	-177.4	-170.7	2.2	113.1	V584 Q586 S591 R592	V584-R588 WeakPolarHBondContact O-CB 3.38Å; V584-R588 VanDerWaalsContact O-CG 3.24Å; V584-R588 WeakPolarHBondContact O-CG 3.16Å; V584-R588 PolarHBondContact O-N 2.8Å; Q586-R588 VanDerWaalsContact C-N 3.26Å; Q586-R588 PolarHBondContact O-N 2.76Å; R588-S591 WeakPolarHBondContact CA-OG 3.39Å; R588-S591 PolarHBondContact O-OG 3.06Å; R588-S591 VanDerWaalsContact O-OG 3.13Å; R588-R592 WeakPolarHBondContact O-CD 3.32Å; R588-R592 VanDerWaalsContact O-CG 3.27Å; R588-R592 WeakPolarHBondContact O-CG 3.22Å; R588-R592 PolarHBondContact O-N 3.23Å
589	R	85.9	Confident	82.7	Confident	191 Å²	191	125.4 Å²	125.4	72%	0.721	56%	0.561	S	S	*	*	H	α-helix	trans	-77.5	-41.8	175.2	-70.7	171.5	-179	179.7	-0	111.2	A585 Q586 D587 R592 R593	A585-R589 WeakPolarHBondContact O-CG 3.44Å; A585-R589 PolarHBondContact O-N 2.57Å; Q586-R589 WeakPolarHBondContact O-CA 3.03Å; Q586-R589 WeakPolarHBondContact O-CB 3.26Å; Q586-R589 PolarHBondContact O-N 3.26Å; D587-R589 VanDerWaalsContact C-N 3.29Å; D587-R589 PolarHBondContact O-N 2.95Å; R589-R592 PolarHBondContact O-N 2.99Å; R589-R593 PolarHBondContact O-N 3.22Å
590	E	83.2	Confident	80.9	Confident	95 Å²	95	126 Å²	126	44%	0.444	57%	0.569	S	S	.	*	H	α-helix	trans	-66.4	-45.2	178.3	-70.7	-175.3	-169.6	0	0	112	Q586 D587 R592 R593 N594	Q586-E590 PolarHBondContact O-N 3.2Å; D587-E590 PolarHBondContact O-N 3.17Å; E590-R592 VanDerWaalsContact C-N 3.29Å; E590-R592 PolarHBondContact O-N 3.38Å; E590-R593 PolarHBondContact O-N 3.22Å; E590-R593 VanDerWaalsContact O-N 3.12Å; E590-N594 PolarHBondContact O-N 3.03Å
591	S	81	Confident	78.9	Confident	68 Å²	68	131.2 Å²	131.2	48%	0.476	60%	0.596	S	S	.	*	H	α-helix	trans	-58.5	-39	174.6	53.6	0	0	0	0	112.7	D587 R588 R595	D587-S591 WeakPolarHBondContact O-CB 3.4Å; D587-S591 PolarHBondContact O-N 3.33Å; D587-S591 PolarHBondContact O-OG 3.1Å; R588-S591 WeakPolarHBondContact CA-OG 3.39Å; R588-S591 PolarHBondContact O-OG 3.06Å; R588-S591 VanDerWaalsContact O-OG 3.13Å; S591-R595 WeakPolarHBondContact O-CB 3.32Å; S591-R595 PolarHBondContact O-N 3.5Å
592	R	79.3	Confident	78.1	Confident	179 Å²	179	129.3 Å²	129.3	68%	0.675	59%	0.594	S	S	*	*	H	α-helix	trans	-66.1	-44.7	173.3	-74.1	175.6	-177.5	-167.3	-0	111.9	R588 R589 E590 N594 R595 F596	R588-R592 WeakPolarHBondContact O-CD 3.32Å; R588-R592 VanDerWaalsContact O-CG 3.27Å; R588-R592 WeakPolarHBondContact O-CG 3.22Å; R588-R592 PolarHBondContact O-N 3.23Å; R589-R592 PolarHBondContact O-N 2.99Å; E590-R592 VanDerWaalsContact C-N 3.29Å; E590-R592 PolarHBondContact O-N 3.38Å; R592-N594 VanDerWaalsContact C-N 3.32Å; R592-N594 PolarHBondContact O-N 3Å; R592-R595 PolarHBondContact O-N 2.87Å; R592-F596 WeakPolarHBondContact O-CD2 3.29Å; R592-F596 PolarHBondContact O-N 3.18Å; R592-F596 VanDerWaalsContact O-N 3.08Å
593	R	75.2	Confident	77.2	Confident	175 Å²	175	125.9 Å²	125.9	66%	0.66	59%	0.587	S	S	*	*	H	α-helix	trans	-61	-42.7	178.6	-163.7	178.9	99.4	179.3	6.6	111.6	R589 E590 R595 F596 N597	R589-R593 PolarHBondContact O-N 3.22Å; E590-R593 PolarHBondContact O-N 3.22Å; E590-R593 VanDerWaalsContact O-N 3.12Å; R593-R595 VanDerWaalsContact C-N 3.33Å; R593-R595 PolarHBondContact O-N 3.19Å; R593-F596 PolarHBondContact O-N 2.82Å; R593-N597 PolarHBondContact O-N 3.06Å
594	N	74.1	Confident	76.3	Confident	82 Å²	82	126.8 Å²	126.8	44%	0.439	59%	0.591	S	S	.	*	H	α-helix	trans	-65.3	-38.6	177.1	-69.4	-12	0	0	0	111.2	E590 R592 N597 F598	E590-N594 PolarHBondContact O-N 3.03Å; R592-N594 VanDerWaalsContact C-N 3.32Å; R592-N594 PolarHBondContact O-N 3Å; N594-N597 PolarHBondContact O-N 2.83Å; N594-F598 VanDerWaalsContact O-CD2 3.24Å; N594-F598 WeakPolarHBondContact O-CD2 3.42Å; N594-F598 PolarHBondContact O-N 3.31Å
595	R	72	Confident	75.4	Confident	187 Å²	187	131.4 Å²	131.4	71%	0.706	61%	0.608	S	S	*	*	H	α-helix	trans	-62.9	-42.7	176.5	-151.2	174.3	-172.2	177.4	2.4	112.8	S591 R592 R593 N597 F598 D599	S591-R595 WeakPolarHBondContact O-CB 3.32Å; S591-R595 PolarHBondContact O-N 3.5Å; R592-R595 PolarHBondContact O-N 2.87Å; R593-R595 VanDerWaalsContact C-N 3.33Å; R593-R595 PolarHBondContact O-N 3.19Å; R595-N597 VanDerWaalsContact C-N 3.3Å; R595-N597 PolarHBondContact O-N 2.82Å; R595-F598 PolarHBondContact O-N 3.47Å; R595-F598 VanDerWaalsContact O-N 3.13Å; R595-D599 PolarHBondContact O-N 3.08Å
596	F	67.7	Low	74.4	Confident	144 Å²	144	136.9 Å²	136.9	63%	0.632	62%	0.624	S	S	*	*	H	α-helix	trans	-62.5	-34.2	174.4	-81.4	-72.2	0	0	0	113.4	R592 R593 F598 D599 T600	R592-F596 WeakPolarHBondContact O-CD2 3.29Å; R592-F596 PolarHBondContact O-N 3.18Å; R592-F596 VanDerWaalsContact O-N 3.08Å; R593-F596 PolarHBondContact O-N 2.82Å; F596-F598 VanDerWaalsContact C-N 3.31Å; F596-D599 PolarHBondContact O-N 3.11Å; F596-T600 PolarHBondContact O-N 2.99Å; F596-T600 PolarHBondContact O-OG1 3.49Å
597	N	64.8	Low	73.3	Confident	87 Å²	87	138.6 Å²	138.6	47%	0.465	63%	0.631	S	S	.	*	H	α-helix	trans	-69.5	-28.7	175.1	-74.9	-9	0	0	0	112.7	R593 N594 R595 T600	R593-N597 PolarHBondContact O-N 3.06Å; N594-N597 PolarHBondContact O-N 2.83Å; R595-N597 VanDerWaalsContact C-N 3.3Å; R595-N597 PolarHBondContact O-N 2.82Å; N597-T600 PolarHBondContact O-OG1 2.88Å
598	F	64.3	Low	72.2	Confident	157 Å²	157	142.1 Å²	142.1	69%	0.689	64%	0.641	S	S	*	*	H	α-helix	trans	-78.9	-33.6	174.2	-82.1	-74.5	0	0	0	112.7	N594 R595 F596 T600	N594-F598 VanDerWaalsContact O-CD2 3.24Å; N594-F598 WeakPolarHBondContact O-CD2 3.42Å; N594-F598 PolarHBondContact O-N 3.31Å; R595-F598 PolarHBondContact O-N 3.47Å; R595-F598 VanDerWaalsContact O-N 3.13Å; F596-F598 VanDerWaalsContact C-N 3.31Å; F598-T600 VanDerWaalsContact C-N 3.27Å; F598-T600 PolarHBondContact O-N 2.79Å
599	D	64.3	Low	70.9	Confident	123 Å²	123	140.2 Å²	140.2	66%	0.658	64%	0.642	S	S	*	*	H	α-helix	trans	-77.7	-10.3	178.9	-68.8	-22.7	0	0	0	113.5	R595 F596	R595-D599 PolarHBondContact O-N 3.08Å; F596-D599 PolarHBondContact O-N 3.11Å
600	T	58.2	Low	69.7	Low	117 Å²	117	135.9 Å²	135.9	72%	0.718	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-4.8	177.1	41.5	0	0	0	0	114.3	F596 N597 F598	F596-T600 PolarHBondContact O-N 2.99Å; F596-T600 PolarHBondContact O-OG1 3.49Å; N597-T600 PolarHBondContact O-OG1 2.88Å; F598-T600 VanDerWaalsContact C-N 3.27Å; F598-T600 PolarHBondContact O-N 2.79Å
601	M	51.9	Low	68.4	Low	217 Å²	217	139.6 Å²	139.6	100%	1.069	65%	0.653	S	S	*	*			trans	-92.1	0	166	-69.7	-172	179.7	0	0	109.7

Retrieved 601 of 601 residues in 911.1 ms (Link to these results)

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