A0A3B3V741_9TELE Loading...

Semaphorin-3C

AlphaFold DB , UniProt , Accession A0A3B3V741, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 747 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.9	Very low	39.3	Very low	211 Å²	211	120.2 Å²	120.2	100%	1.039	66%	0.66	S	S	*	*				0	-29.7	0	-71.7	-153.8	-79.2	0	0	114.3
2	A	42	Very low	38.6	Very low	79 Å²	79	120.6 Å²	120.6	65%	0.653	66%	0.658	S	S	*	*	H	α-helix	trans	-72	-32.1	178.3	0	0	0	0	0	115.1
3	L	42.6	Very low	38	Very low	158 Å²	158	117.8 Å²	117.8	83%	0.827	65%	0.653	S	S	*	*	H	α-helix	trans	-73.6	-27.5	178.8	-87.1	121.9	0	0	0	113.9	A7	L3-A7 PolarHBondContact O-N 3.31Å
4	S	44.8	Very low	37.5	Very low	82 Å²	82	115.7 Å²	115.7	57%	0.573	65%	0.651	S	S	*	*	H	α-helix	trans	-75.8	-26.4	177.6	-53.6	0	0	0	0	112.7	L8	S4-L8 PolarHBondContact O-N 3.01Å
5	L	41.3	Very low	37.1	Very low	118 Å²	118	116.7 Å²	116.7	62%	0.618	66%	0.66	S	S	*	*	H	α-helix	trans	-74.4	-35.6	173.2	-103.7	101.5	0	0	0	112.5	L8 L9	L5-L8 PolarHBondContact O-N 3.3Å; L5-L9 PolarHBondContact O-N 3.38Å
6	L	42.2	Very low	36.8	Very low	107 Å²	107	116 Å²	116	56%	0.56	67%	0.665	S	S	*	*	H	α-helix	trans	-67.5	-36.5	174.8	-104.5	99.2	0	0	0	112.1	L9 F10	L6-L9 PolarHBondContact O-N 2.92Å; L6-F10 WeakPolarHBondContact O-CD2 3.43Å; L6-F10 PolarHBondContact O-N 2.74Å
7	A	39.1	Very low	36.8	Very low	51 Å²	51	114.9 Å²	114.9	42%	0.421	67%	0.666	S	S	.	*	H	α-helix	trans	-65.6	-37.7	174.4	0	0	0	0	0	112	L3 F10 L11	L3-A7 PolarHBondContact O-N 3.31Å; A7-F10 PolarHBondContact O-N 3.12Å; A7-L11 WeakPolarHBondContact O-CB 3.26Å; A7-L11 WeakPolarHBondContact O-CD1 3.43Å; A7-L11 PolarHBondContact O-N 3.01Å
8	L	36.4	Very low	37.2	Very low	110 Å²	110	117.1 Å²	117.1	58%	0.576	67%	0.674	S	S	*	*	H	α-helix	trans	-67	-37.3	172.6	-113.9	85.7	0	0	0	112.4	S4 L5 F10 L11 I12	S4-L8 PolarHBondContact O-N 3.01Å; L5-L8 PolarHBondContact O-N 3.3Å; L8-F10 VanDerWaalsContact C-N 3.34Å; L8-L11 PolarHBondContact O-N 2.97Å; L8-I12 WeakPolarHBondContact O-CD1 3.43Å; L8-I12 VanDerWaalsContact O-CG1 3.24Å; L8-I12 WeakPolarHBondContact O-CG1 3.32Å; L8-I12 PolarHBondContact O-N 3.28Å
9	L	36	Very low	38.2	Very low	117 Å²	117	117.2 Å²	117.2	61%	0.613	68%	0.679	S	S	*	*	H	α-helix	trans	-67.4	-31.4	175.4	-88	150.3	0	0	0	112.9	L5 L6	L5-L9 PolarHBondContact O-N 3.38Å; L6-L9 PolarHBondContact O-N 2.92Å
10	F	34	Very low	39.6	Very low	159 Å²	159	114.9 Å²	114.9	70%	0.697	66%	0.661	S	S	*	*	H	α-helix	trans	-79.6	-24.2	173.3	-91.8	-80.5	0	0	0	113.8	L6 A7 L8 S13	L6-F10 WeakPolarHBondContact O-CD2 3.43Å; L6-F10 PolarHBondContact O-N 2.74Å; A7-F10 PolarHBondContact O-N 3.12Å; L8-F10 VanDerWaalsContact C-N 3.34Å; F10-S13 PolarHBondContact O-OG 3.02Å
11	L	29.2	Very low	41.3	Very low	130 Å²	130	111.5 Å²	111.5	68%	0.681	64%	0.644	S	S	*	*	H	α-helix	trans	-79.6	-18.9	174.3	-83.2	155.3	0	0	0	113.2	A7 L8	A7-L11 WeakPolarHBondContact O-CB 3.26Å; A7-L11 WeakPolarHBondContact O-CD1 3.43Å; A7-L11 PolarHBondContact O-N 3.01Å; L8-L11 PolarHBondContact O-N 2.97Å
12	I	31	Very low	43.3	Very low	125 Å²	125	104.9 Å²	104.9	64%	0.641	62%	0.615	S	S	*	*	S	Bend	trans	-90.1	-11.1	178.1	-64.1	164.1	0	0	0	112.2	L8	L8-I12 WeakPolarHBondContact O-CD1 3.43Å; L8-I12 VanDerWaalsContact O-CG1 3.24Å; L8-I12 WeakPolarHBondContact O-CG1 3.32Å; L8-I12 PolarHBondContact O-N 3.28Å
13	S	30.5	Very low	45.6	Very low	85 Å²	85	101.8 Å²	101.8	59%	0.594	59%	0.588	S	S	*	*	S	Bend	trans	-87.1	4.4	179	49.8	0	0	0	0	115.9	F10	F10-S13 PolarHBondContact O-OG 3.02Å
14	S	30.9	Very low	48	Very low	88 Å²	88	94.7 Å²	94.7	62%	0.615	55%	0.551	S	S	*	*			trans	-116.4	54.3	175.1	66.5	0	0	0	0	111.8	S16	S14-S16 PolarHBondContact O-N 3.36Å
15	V	31.4	Very low	50.2	Low	130 Å²	130	91.7 Å²	91.7	79%	0.788	53%	0.528	S	S	*	.			trans	-68.5	95.1	145.8	-174.6	0	0	0	0	104.2	S17	V15-S17 PolarHBondContact O-N 3.48Å
16	S	32.2	Very low	52.7	Low	106 Å²	106	90.8 Å²	90.8	74%	0.741	52%	0.519	S	S	*	.			trans	-60.3	89.1	168.8	47.1	0	0	0	0	107	S14 L18	S14-S16 PolarHBondContact O-N 3.36Å; S16-L18 PolarHBondContact O-N 3.2Å
17	S	36.5	Very low	55.1	Low	98 Å²	98	87.1 Å²	87.1	69%	0.685	50%	0.5	S	S	*	.			trans	-54.8	111.2	162.8	57.1	0	0	0	0	105.1	V15 P19	V15-S17 PolarHBondContact O-N 3.48Å; S17-P19 VanDerWaalsContact O-N 3.12Å
18	L	44.6	Very low	57.8	Low	154 Å²	154	86.1 Å²	86.1	81%	0.806	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-46.8	125.4	168.8	-88.9	137.7	0	0	0	106.8	S16 Q20	S16-L18 PolarHBondContact O-N 3.2Å; L18-Q20 PolarHBondContact O-N 3.4Å; L18-Q20 VanDerWaalsContact O-N 3.09Å
19	P	56.9	Low	60.5	Low	118 Å²	118	82.4 Å²	82.4	77%	0.766	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-54.9	124.5	-179.9	16	-25.5	0	0	0	107.9	S17	S17-P19 VanDerWaalsContact O-N 3.12Å
20	Q	65.2	Low	63.3	Low	71 Å²	71	79.2 Å²	79.2	33%	0.332	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-58.9	139.2	-176.3	-76.4	176	6	0	0	109.6	L18 V22 T419 G420 A421	L18-Q20 PolarHBondContact O-N 3.4Å; L18-Q20 VanDerWaalsContact O-N 3.09Å; Q20-V22 PolarHBondContact O-N 2.88Å; Q20-T419 PolarHBondContact NE2-O 2.84Å; Q20-G420 PolarHBondContact NE2-O 2.77Å; Q20-G420 VanDerWaalsContact NE2-O 3.07Å; Q20-A421 VanDerWaalsContact NE2-N 3.13Å
21	P	76.3	Confident	66.1	Low	44 Å²	44	75.9 Å²	75.9	29%	0.286	45%	0.454	S	S	.	.			trans	-60.5	111.3	176.4	-21.3	33.3	0	0	0	109.2	V469	P21-V469 HydrophobicContact CB-CG2 3.87Å
22	V	85.6	Confident	69.2	Low	73 Å²	73	69.7 Å²	69.7	44%	0.442	42%	0.422	S	S	.	.			trans	-77.6	133	178.6	-171.5	0	0	0	0	108.2	Q20 P593 Q594	Q20-V22 PolarHBondContact O-N 2.88Å; V22-P593 HydrophobicContact CG1-CB 3.53Å; V22-P593 HydrophobicContact CG1-CG 4.38Å; V22-Q594 WeakPolarHBondContact O-CG 3.1Å; V22-Q594 PolarHBondContact O-NE2 3.18Å
23	P	91.8	Very high	72	Confident	14 Å²	14	71.2 Å²	71.2	9%	0.091	42%	0.424	C	S	.	.			trans	-59.5	141.4	175.4	26	-36	0	0	0	110.9	I25 V469 E472	P23-I25 VanDerWaalsContact C-N 3.27Å; P23-I25 PolarHBondContact O-N 3.26Å; P23-V469 HydrophobicContact CB-CG1 3.72Å; P23-E472 HydrophobicContact CB-CB 3.69Å; P23-E472 HydrophobicContact CG-CB 3.75Å
24	R	91.1	Very high	74.8	Confident	9 Å²	9	70.7 Å²	70.7	3%	0.034	43%	0.432	C	S	.	.	S	Bend	trans	-65.1	-35.2	177.5	-166.2	-171.5	177.5	-122.4	-2	111.9	V469 L470 D519 L522 A523 S592 P593 E643	R24-V469 PolarHBondContact N-O 2.8Å; R24-V469 VanDerWaalsContact N-O 3.14Å; R24-L470 VanDerWaalsContact CB-O 3.29Å; R24-L470 WeakPolarHBondContact CB-O 3.4Å; R24-L470 PolarHBondContact N-O 3.19Å; R24-D519 PolarHBondContact NH1-O 3.32Å; R24-D519 PolarHBondContact NH2-O 3.36Å; R24-L522 VanDerWaalsContact CZ-C 3.41Å; R24-L522 PolarHBondContact NE-O 3.04Å; R24-A523 VanDerWaalsContact CZ-CA 3.47Å; R24-A523 VanDerWaalsContact CZ-N 3.33Å; R24-S592 WeakPolarHBondContact CG-OG 3.11Å; R24-S592 PolarHBondContact O-OG 3.2Å; R24-P593 WeakPolarHBondContact O-CD 3.48Å; R24-E643 IonicContact CZ-OE1 3.1Å; R24-E643 IonicContact NE-OE1 2.73Å; R24-E643 PolarHBondContact NE-OE1 3.27Å; R24-E643 IonicContact NH2-OE1 2.72Å; R24-E643 PolarHBondContact NH2-OE1 3.01Å
25	I	91.9	Very high	77.4	Confident	19 Å²	19	67.8 Å²	67.8	10%	0.097	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.7	173	-65.7	-173.6	0	0	0	109.3	P23 L27 L470 E471 E472 A512 Y513	P23-I25 VanDerWaalsContact C-N 3.27Å; P23-I25 PolarHBondContact O-N 3.26Å; I25-L27 HydrophobicContact CG2-CD1 4.47Å; I25-L27 HydrophobicContact CG2-CD2 3.79Å; I25-L27 HydrophobicContact CG2-CG 3.76Å; I25-L470 PolarHBondContact N-O 3.34Å; I25-E471 CarbonylContact O-C 3.57Å; I25-E471 WeakPolarHBondContact O-CA 3.27Å; I25-E472 PolarHBondContact O-N 3.41Å; I25-A512 HydrophobicContact CD1-CB 4.05Å; I25-A512 WeakPolarHBondContact CD1-O 3.32Å; I25-Y513 HydrophobicContact CD1-CD1 3.22Å; I25-Y513 HydrophobicContact CD1-CE1 3.57Å; I25-Y513 HydrophobicContact CD1-CG 4.07Å; I25-Y513 HydrophobicContact CG1-CD1 3.99Å; I25-Y513 HydrophobicContact CG1-CE1 4.09Å
26	F	93.3	Very high	79.9	Confident	99 Å²	99	71.6 Å²	71.6	43%	0.434	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.4	164.4	177.9	-93.6	0	0	0	108.9	E472 E474	F26-E472 CarbonylContact C-O 3.3Å; F26-E472 WeakPolarHBondContact CA-O 3.42Å; F26-E472 HydrophobicContact CD2-CB 4.03Å; F26-E472 HydrophobicContact CD2-CG 3.95Å; F26-E472 HydrophobicContact CE2-CG 4.18Å; F26-E474 HydrophobicContact CZ-CB 4.28Å
27	L	93.8	Very high	82.6	Confident	29 Å²	29	67.1 Å²	67.1	15%	0.152	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.4	173.8	-61.2	179.9	0	0	0	109.3	I25 D31 L32 E472 L473 E474	I25-L27 HydrophobicContact CG2-CD1 4.47Å; I25-L27 HydrophobicContact CG2-CD2 3.79Å; I25-L27 HydrophobicContact CG2-CG 3.76Å; L27-D31 HydrophobicContact CB-CB 4.28Å; L27-D31 HydrophobicContact CD2-CB 4.22Å; L27-L32 HydrophobicContact CB-CD2 3.99Å; L27-L32 HydrophobicContact CB-CG 3.99Å; L27-L32 HydrophobicContact CD1-CD2 3.87Å; L27-E472 PolarHBondContact N-O 2.87Å; L27-L473 HydrophobicContact CB-CD2 4.05Å; L27-L473 HydrophobicContact CD1-CD2 3.91Å; L27-L473 HydrophobicContact CG-CD2 4.16Å; L27-E474 PolarHBondContact O-N 3.06Å
28	S	94.9	Very high	85.4	Confident	31 Å²	31	63 Å²	63	22%	0.217	36%	0.359	C	S	.	.			trans	-69.6	166.1	173.8	70.7	0	0	0	0	111.1	G30 D31 L32	S28-G30 PolarHBondContact O-N 3.06Å; S28-G30 PolarHBondContact OG-N 3.03Å; S28-D31 WeakPolarHBondContact CB-OD2 3.36Å; S28-D31 PolarHBondContact N-OD2 2.74Å; S28-D31 PolarHBondContact O-N 3.02Å; S28-D31 VanDerWaalsContact O-N 3.1Å; S28-D31 PolarHBondContact OG-N 3.41Å; S28-D31 PolarHBondContact OG-OD2 2.66Å; S28-L32 WeakPolarHBondContact O-CG 3.42Å; S28-L32 PolarHBondContact O-N 3.31Å
29	F	94.4	Very high	87.9	Confident	31 Å²	31	59.1 Å²	59.1	14%	0.136	34%	0.337	C	S	.	.	H	α-helix	trans	-55.4	-35.5	173.1	-175	-90.9	0	0	0	112.3	K33 F38 H40 E474 K477	F29-K33 HydrophobicContact CE1-CD 4.4Å; F29-K33 WeakPolarHBondContact O-CB 3.5Å; F29-K33 PolarHBondContact O-N 2.96Å; F29-F38 HydrophobicContact CD2-CE1 4.36Å; F29-F38 HydrophobicContact CD2-CZ 4.05Å; F29-F38 AromaticContact CE2-CE1 3.83Å; F29-F38 HydrophobicContact CE2-CE1 3.83Å; F29-F38 AromaticContact CE2-CZ 3.63Å; F29-F38 HydrophobicContact CE2-CZ 3.63Å; F29-F38 HydrophobicContact CZ-CE1 4.17Å; F29-F38 HydrophobicContact CZ-CZ 4.4Å; F29-H40 HydrophobicContact CZ-CB 4.47Å; F29-E474 VanDerWaalsContact CA-O 3.23Å; F29-E474 WeakPolarHBondContact CA-O 3.4Å; F29-E474 HydrophobicContact CB-CG 4.46Å; F29-E474 WeakPolarHBondContact CB-O 3.12Å; F29-E474 PolarHBondContact N-O 2.92Å; F29-E474 PolarHBondContact N-OE2 2.75Å; F29-K477 HydrophobicContact CD1-CB 3.98Å; F29-K477 HydrophobicContact CD1-CG 4.46Å; F29-K477 HydrophobicContact CD2-CB 4.34Å; F29-K477 HydrophobicContact CE1-CB 4.11Å; F29-K477 HydrophobicContact CE2-CB 4.44Å; F29-K477 HydrophobicContact CG-CB 4.1Å; F29-K477 HydrophobicContact CZ-CB 4.34Å
30	G	93.7	Very high	89.7	Confident	50 Å²	50	56.1 Å²	56.1	52%	0.515	31%	0.312	S	S	.	.	H	α-helix	trans	-66.5	-44	176.8	0	0	0	0	0	112.8	S28 L32 K33 G34	S28-G30 PolarHBondContact O-N 3.06Å; S28-G30 PolarHBondContact OG-N 3.03Å; G30-L32 VanDerWaalsContact C-N 3.35Å; G30-K33 PolarHBondContact O-N 3.03Å; G30-G34 PolarHBondContact O-N 2.82Å; G30-G34 VanDerWaalsContact O-N 3.14Å
31	D	93.1	Very high	91.2	Very high	90 Å²	90	53.9 Å²	53.9	48%	0.481	30%	0.301	S	S	.	.	H	α-helix	trans	-64.5	-42.1	178.3	-56.9	-45.2	0	0	0	111.1	L27 S28 G34 S35	L27-D31 HydrophobicContact CB-CB 4.28Å; L27-D31 HydrophobicContact CD2-CB 4.22Å; S28-D31 WeakPolarHBondContact CB-OD2 3.36Å; S28-D31 PolarHBondContact N-OD2 2.74Å; S28-D31 PolarHBondContact O-N 3.02Å; S28-D31 VanDerWaalsContact O-N 3.1Å; S28-D31 PolarHBondContact OG-N 3.41Å; S28-D31 PolarHBondContact OG-OD2 2.66Å; D31-G34 PolarHBondContact O-N 3.41Å; D31-S35 PolarHBondContact O-N 2.83Å
32	L	93.7	Very high	92.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.3	-46.8	177	-72.9	173.6	0	0	0	111.8	L27 S28 G30 G34 S35 F38 L473 E474 V475	L27-L32 HydrophobicContact CB-CD2 3.99Å; L27-L32 HydrophobicContact CB-CG 3.99Å; L27-L32 HydrophobicContact CD1-CD2 3.87Å; S28-L32 WeakPolarHBondContact O-CG 3.42Å; S28-L32 PolarHBondContact O-N 3.31Å; G30-L32 VanDerWaalsContact C-N 3.35Å; L32-G34 PolarHBondContact O-N 2.79Å; L32-S35 WeakPolarHBondContact O-CA 3.24Å; L32-S35 VanDerWaalsContact O-CB 3.28Å; L32-S35 WeakPolarHBondContact O-CB 3.33Å; L32-S35 PolarHBondContact O-N 2.92Å; L32-S35 PolarHBondContact O-OG 2.98Å; L32-F38 HydrophobicContact CB-CB 3.95Å; L32-F38 HydrophobicContact CB-CD1 4.06Å; L32-F38 HydrophobicContact CB-CD2 4Å; L32-F38 HydrophobicContact CB-CG 3.74Å; L32-F38 HydrophobicContact CD1-CD2 4.07Å; L32-F38 HydrophobicContact CD1-CE2 4.22Å; L32-F38 HydrophobicContact CG-CD2 4.47Å; L32-F38 WeakPolarHBondContact O-CB 3.33Å; L32-L473 HydrophobicContact CD1-CB 4.06Å; L32-L473 HydrophobicContact CD2-CD2 4.26Å; L32-E474 WeakPolarHBondContact CD1-O 3.39Å; L32-V475 HydrophobicContact CD1-CG1 4.29Å
33	K	91.3	Very high	92.5	Very high	157 Å²	157	52.6 Å²	52.6	68%	0.683	29%	0.293	S	S	*	.	H	α-helix	trans	-63.6	-28.4	178.5	-167.9	176.7	-176.6	178.6	0	112.9	F29 G30 S35	F29-K33 HydrophobicContact CE1-CD 4.4Å; F29-K33 WeakPolarHBondContact O-CB 3.5Å; F29-K33 PolarHBondContact O-N 2.96Å; G30-K33 PolarHBondContact O-N 3.03Å; K33-S35 PolarHBondContact O-N 3.34Å
34	G	87.9	Confident	92.5	Very high	74 Å²	74	54 Å²	54	76%	0.763	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-10.2	171.6	0	0	0	0	0	114.1	G30 D31 L32	G30-G34 PolarHBondContact O-N 2.82Å; G30-G34 VanDerWaalsContact O-N 3.14Å; D31-G34 PolarHBondContact O-N 3.41Å; L32-G34 PolarHBondContact O-N 2.79Å
35	S	86.6	Confident	92.4	Very high	26 Å²	26	60.6 Å²	60.6	18%	0.182	34%	0.339	C	S	.	.	S	Bend	trans	-98.2	154.4	-178.8	85.5	0	0	0	0	112.1	D31 L32 K33 S37	D31-S35 PolarHBondContact O-N 2.83Å; L32-S35 WeakPolarHBondContact O-CA 3.24Å; L32-S35 VanDerWaalsContact O-CB 3.28Å; L32-S35 WeakPolarHBondContact O-CB 3.33Å; L32-S35 PolarHBondContact O-N 2.92Å; L32-S35 PolarHBondContact O-OG 2.98Å; K33-S35 PolarHBondContact O-N 3.34Å; S35-S37 PolarHBondContact O-N 2.89Å; S35-S37 PolarHBondContact OG-N 2.78Å; S35-S37 PolarHBondContact OG-OG 3.41Å
36	Q	83.1	Confident	92.4	Very high	210 Å²	210	67.2 Å²	67.2	98%	0.981	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	16	170.4	-65	-179.4	-10.8	0	0	113.2
37	S	89.1	Confident	92.3	Very high	13 Å²	13	63.9 Å²	63.9	9%	0.091	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	10.7	-170.1	73	0	0	0	0	113.7	S35 V505 S506 R509	S35-S37 PolarHBondContact O-N 2.89Å; S35-S37 PolarHBondContact OG-N 2.78Å; S35-S37 PolarHBondContact OG-OG 3.41Å; S37-V505 WeakPolarHBondContact O-CA 3.34Å; S37-S506 PolarHBondContact O-N 3.42Å; S37-R509 WeakPolarHBondContact OG-CD 3.48Å; S37-R509 WeakPolarHBondContact OG-CG 3.03Å
38	F	95.7	Very high	92.3	Very high	11 Å²	11	63.5 Å²	63.5	5%	0.048	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	132.9	-172.5	179.4	-96.6	0	0	0	110.8	F29 L32 H40 V475 Q504 V505	F29-F38 HydrophobicContact CD2-CE1 4.36Å; F29-F38 HydrophobicContact CD2-CZ 4.05Å; F29-F38 AromaticContact CE2-CE1 3.83Å; F29-F38 HydrophobicContact CE2-CE1 3.83Å; F29-F38 AromaticContact CE2-CZ 3.63Å; F29-F38 HydrophobicContact CE2-CZ 3.63Å; F29-F38 HydrophobicContact CZ-CE1 4.17Å; F29-F38 HydrophobicContact CZ-CZ 4.4Å; L32-F38 HydrophobicContact CB-CB 3.95Å; L32-F38 HydrophobicContact CB-CD1 4.06Å; L32-F38 HydrophobicContact CB-CD2 4Å; L32-F38 HydrophobicContact CB-CG 3.74Å; L32-F38 HydrophobicContact CD1-CD2 4.07Å; L32-F38 HydrophobicContact CD1-CE2 4.22Å; L32-F38 HydrophobicContact CG-CD2 4.47Å; L32-F38 WeakPolarHBondContact O-CB 3.33Å; F38-H40 HydrophobicContact CE1-CB 3.75Å; F38-H40 HydrophobicContact CZ-CB 3.87Å; F38-V475 HydrophobicContact CE2-CB 4.14Å; F38-V475 HydrophobicContact CE2-CG1 4.2Å; F38-Q504 CarbonylContact C-O 3.45Å; F38-Q504 VanDerWaalsContact CA-O 3.32Å; F38-Q504 WeakPolarHBondContact CA-O 3.43Å; F38-V505 HydrophobicContact CD2-CG2 3.88Å; F38-V505 HydrophobicContact CE2-CG2 4.16Å
39	E	96	Very high	92.3	Very high	73 Å²	73	62.7 Å²	62.7	34%	0.341	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	147	169.5	-66.2	-66.9	174.3	0	0	108.9	I78 T79 S503 Q504	E39-I78 HydrophobicContact CB-CG1 4.09Å; E39-T79 HydrophobicContact CB-CG2 4.11Å; E39-S503 CarbonylContact O-C 3.54Å; E39-S503 WeakPolarHBondContact O-CA 3.43Å; E39-Q504 HydrophobicContact CB-CB 4.25Å; E39-Q504 PolarHBondContact N-O 3.32Å; E39-Q504 PolarHBondContact O-N 3.42Å
40	H	95.7	Very high	92.4	Very high	55 Å²	55	61.2 Å²	61.2	26%	0.255	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.8	177.6	-179.2	74.3	0	0	0	110.9	F29 F38 F476 V502 S503	F29-H40 HydrophobicContact CZ-CB 4.47Å; F38-H40 HydrophobicContact CE1-CB 3.75Å; F38-H40 HydrophobicContact CZ-CB 3.87Å; H40-F476 AromaticContact CE1-CD1 3.77Å; H40-F476 AromaticContact CE1-CE1 3.84Å; H40-V502 PolarHBondContact ND1-O 3.27Å; H40-S503 PolarHBondContact ND1-OG 3.32Å
41	F	96.3	Very high	92.3	Very high	23 Å²	23	61.6 Å²	61.6	10%	0.101	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.7	179	-176.4	-85	0	0	0	111.3	I43 L71 M73 I78 T82 G501 V502	F41-I43 HydrophobicContact CE1-CG1 4.01Å; F41-L71 HydrophobicContact CD1-CD1 4.19Å; F41-L71 HydrophobicContact CE1-CD1 3.7Å; F41-M73 HydrophobicContact CB-CE 4.47Å; F41-M73 HydrophobicContact CD1-CE 3.43Å; F41-M73 VanDerWaalsContact CD1-CE 3.43Å; F41-M73 HydrophobicContact CE1-CE 3.95Å; F41-M73 HydrophobicContact CG-CE 4.1Å; F41-I78 HydrophobicContact CB-CD1 4.07Å; F41-I78 HydrophobicContact CB-CG1 4.36Å; F41-T82 HydrophobicContact CE1-CG2 4.36Å; F41-T82 HydrophobicContact CE2-CG2 4.16Å; F41-T82 HydrophobicContact CZ-CG2 3.95Å; F41-G501 VanDerWaalsContact O-CA 3.32Å; F41-G501 WeakPolarHBondContact O-CA 3.37Å; F41-V502 PolarHBondContact N-O 3.49Å; F41-V502 PolarHBondContact O-N 2.77Å
42	S	95.6	Very high	92.3	Very high	44 Å²	44	59 Å²	59	31%	0.308	31%	0.314	S	S	.	.			trans	-141	144.6	169	65.6	0	0	0	0	110.6	F500	S42-F500 WeakPolarHBondContact CB-O 3.44Å
43	I	94.3	Very high	92.4	Very high	46 Å²	46	59.1 Å²	59.1	24%	0.236	32%	0.315	C	S	.	.	S	Bend	trans	-76	-36.2	172.8	-56.6	176.2	0	0	0	110.6	F41 Y50 H69 L71	F41-I43 HydrophobicContact CE1-CG1 4.01Å; I43-Y50 HydrophobicContact CD1-CE1 4.44Å; I43-Y50 HydrophobicContact CG1-CE1 4.3Å; I43-Y50 PolarHBondContact N-OH 3.06Å; I43-H69 HydrophobicContact CD1-CB 3.74Å; I43-L71 HydrophobicContact CD1-CD1 3.91Å; I43-L71 HydrophobicContact CD1-CD2 3.59Å; I43-L71 HydrophobicContact CD1-CG 4.1Å; I43-L71 HydrophobicContact CG1-CD1 4.03Å; I43-L71 HydrophobicContact CG1-CD2 4.09Å
44	S	91.7	Very high	92.6	Very high	44 Å²	44	53.5 Å²	53.5	31%	0.308	29%	0.291	S	S	.	.			trans	-150.4	156.7	-172.5	-172.3	0	0	0	0	110.1	K46	S44-K46 PolarHBondContact O-N 2.86Å; S44-K46 PolarHBondContact OG-N 2.93Å
45	D	88.9	Confident	93	Very high	148 Å²	148	52.3 Å²	52.3	79%	0.791	27%	0.266	S	S	*	.	S	Bend	trans	-71.5	-14.2	170	-62.2	-41.4	0	0	0	112.8
46	K	90.6	Very high	93.3	Very high	158 Å²	158	51.9 Å²	51.9	69%	0.687	26%	0.261	S	S	*	.	S	Bend	trans	-78.5	154.6	175.2	-64.6	-177.8	-179.7	178.8	0	110.9	S44 M48	S44-K46 PolarHBondContact O-N 2.86Å; S44-K46 PolarHBondContact OG-N 2.93Å; K46-M48 WeakPolarHBondContact O-CG 3.34Å; K46-M48 PolarHBondContact O-N 2.9Å
47	A	92.3	Very high	93.7	Very high	29 Å²	29	45.1 Å²	45.1	24%	0.24	23%	0.23	C	C	.	.			trans	-63.4	119.1	171.1	0	0	0	0	0	110.2	E499 F500	A47-E499 CarbonylContact C-O 3.58Å; A47-E499 WeakPolarHBondContact CA-O 3.47Å; A47-E499 HydrophobicContact CB-CB 4.21Å; A47-E499 HydrophobicContact CB-CG 4.02Å; A47-F500 HydrophobicContact CB-CE1 4.14Å; A47-F500 HydrophobicContact CB-CZ 4.21Å
48	M	93.5	Very high	93.7	Very high	20 Å²	20	51.9 Å²	51.9	10%	0.099	27%	0.265	C	S	.	.			trans	-116.1	0.3	179.9	-62.4	-62.7	-73.9	0	0	112.4	K46 Y50 C66 K67 E499	K46-M48 WeakPolarHBondContact O-CG 3.34Å; K46-M48 PolarHBondContact O-N 2.9Å; M48-Y50 HydrophobicContact CB-CD2 4.34Å; M48-Y50 HydrophobicContact CB-CE2 3.67Å; M48-Y50 HydrophobicContact CG-CE2 4.5Å; M48-C66 HydrophobicContact CB-CB 4.49Å; M48-C66 WeakPolarHBondContact O-CB 3.46Å; M48-K67 HydrophobicContact CE-CB 4.17Å; M48-K67 WeakPolarHBondContact CE-O 3.39Å; M48-K67 VanDerWaalsContact O-CB 3.27Å; M48-K67 WeakPolarHBondContact O-CB 3.47Å; M48-K67 PolarHBondContact O-N 2.85Å; M48-E499 PolarHBondContact N-O 2.72Å
49	D	94.3	Very high	93.4	Very high	15 Å²	15	52.6 Å²	52.6	8%	0.08	27%	0.269	C	S	.	.			trans	54.3	66	174.2	-178.3	56.2	0	0	0	113.1	R51 C66 F111 R113 E499	D49-R51 PolarHBondContact O-N 3.1Å; D49-R51 IonicContact OD1-CZ 2.93Å; D49-R51 IonicContact OD1-NE 3.98Å; D49-R51 PolarHBondContact OD1-NE 3.26Å; D49-R51 IonicContact OD1-NH2 3.76Å; D49-R51 PolarHBondContact OD1-NH2 2.95Å; D49-C66 WeakPolarHBondContact O-CA 3.38Å; D49-F111 HydrophobicContact CB-CD1 4.19Å; D49-F111 HydrophobicContact CB-CE1 4.19Å; D49-R113 IonicContact OD2-CZ 2.95Å; D49-R113 IonicContact OD2-NH1 2.65Å; D49-R113 PolarHBondContact OD2-NH1 3.33Å; D49-R113 IonicContact OD2-NH2 3.93Å; D49-R113 PolarHBondContact OD2-NH2 3.17Å; D49-E499 PolarHBondContact N-O 3.46Å
50	Y	96.3	Very high	93.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.265	C	S	.	.			trans	-70.5	80.9	173.9	-54.9	-104.5	0	0	0	108.5	I43 M48 V64 C66 L71 T483 S497 S498 F500 G501 V502	I43-Y50 HydrophobicContact CD1-CE1 4.44Å; I43-Y50 HydrophobicContact CG1-CE1 4.3Å; I43-Y50 PolarHBondContact N-OH 3.06Å; M48-Y50 HydrophobicContact CB-CD2 4.34Å; M48-Y50 HydrophobicContact CB-CE2 3.67Å; M48-Y50 HydrophobicContact CG-CE2 4.5Å; Y50-V64 HydrophobicContact CD1-CG1 3.88Å; Y50-V64 HydrophobicContact CG-CG1 4.47Å; Y50-C66 HydrophobicContact CD1-CB 3.89Å; Y50-C66 HydrophobicContact CE1-CB 4.28Å; Y50-C66 HydrophobicContact CG-CB 4.07Å; Y50-L71 HydrophobicContact CD1-CD1 4.32Å; Y50-L71 HydrophobicContact CE1-CD1 3.93Å; Y50-T483 PolarHBondContact O-OG1 2.8Å; Y50-S497 WeakPolarHBondContact O-CB 3.41Å; Y50-S497 PolarHBondContact O-OG 3.47Å; Y50-S497 VanDerWaalsContact O-OG 3.12Å; Y50-S498 WeakPolarHBondContact CB-O 3.46Å; Y50-S498 WeakPolarHBondContact CD2-O 3.47Å; Y50-S498 PolarHBondContact N-O 2.61Å; Y50-F500 WeakPolarHBondContact CE2-O 3.49Å; Y50-G501 VanDerWaalsContact CD2-CA 3.47Å; Y50-G501 VanDerWaalsContact CE2-CA 3.41Å; Y50-G501 VanDerWaalsContact CE2-N 3.26Å; Y50-V502 HydrophobicContact CD1-CG2 3.95Å; Y50-V502 HydrophobicContact CG-CG2 4.25Å
51	R	91.4	Very high	93.1	Very high	58 Å²	58	49.8 Å²	49.8	22%	0.219	26%	0.256	C	S	.	.			trans	-95.2	-28.3	-164.4	-176.2	60.6	64.4	137.9	5	113.8	D49 G65 R113 N484	D49-R51 PolarHBondContact O-N 3.1Å; D49-R51 IonicContact OD1-CZ 2.93Å; D49-R51 IonicContact OD1-NE 3.98Å; D49-R51 PolarHBondContact OD1-NE 3.26Å; D49-R51 IonicContact OD1-NH2 3.76Å; D49-R51 PolarHBondContact OD1-NH2 2.95Å; R51-G65 PolarHBondContact N-O 3.46Å; R51-R113 VanDerWaalsContact CB-NH1 3.27Å; R51-N484 PolarHBondContact O-ND2 3.46Å
52	I	94.1	Very high	93.1	Very high	36 Å²	36	48.7 Å²	48.7	19%	0.185	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.9	-176.2	-56.3	-62.5	0	0	0	108.7	V64 G65 R113 V115	I52-V64 VanDerWaalsContact O-CA 3.31Å; I52-V64 WeakPolarHBondContact O-CA 3.1Å; I52-G65 PolarHBondContact N-O 2.72Å; I52-G65 PolarHBondContact O-N 3.02Å; I52-G65 VanDerWaalsContact O-N 3.11Å; I52-R113 WeakPolarHBondContact CD1-O 3.24Å; I52-V115 HydrophobicContact CB-CG2 4.36Å; I52-V115 HydrophobicContact CG2-CB 3.89Å; I52-V115 HydrophobicContact CG2-CG2 3.78Å
53	L	95.9	Very high	93.2	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	101.5	169.7	-62	-175.4	0	0	0	108.9	M62 V64 N484 R486 V502	L53-M62 HydrophobicContact CB-SD 4.47Å; L53-M62 HydrophobicContact CD2-SD 3.95Å; L53-V64 HydrophobicContact CD2-CB 4.4Å; L53-V64 HydrophobicContact CD2-CG1 3.96Å; L53-V64 HydrophobicContact CD2-CG2 3.78Å; L53-N484 HydrophobicContact CD1-CB 3.99Å; L53-N484 HydrophobicContact CG-CB 4.22Å; L53-R486 HydrophobicContact CB-CG 3.73Å; L53-R486 HydrophobicContact CD1-CG 4.28Å; L53-R486 PolarHBondContact O-NE 2.8Å; L53-R486 VanDerWaalsContact O-NE 3.07Å; L53-V502 HydrophobicContact CD2-CG1 4.4Å; L53-V502 HydrophobicContact CD2-CG2 4.2Å
54	H	96.1	Very high	93.3	Very high	39 Å²	39	44.5 Å²	44.5	18%	0.181	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	106.5	173.7	-170.9	89	0	0	0	109.3	Y63 V115	H54-Y63 PolarHBondContact N-O 3.15Å; H54-Y63 PolarHBondContact O-N 2.83Å; H54-V115 HydrophobicContact CB-CB 4.16Å; H54-V115 HydrophobicContact CB-CG1 3.73Å; H54-V115 PolarHBondContact ND1-O 3.02Å
55	M	95.4	Very high	93.6	Very high	48 Å²	48	42.4 Å²	42.4	24%	0.236	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.1	179.3	-175.6	175.2	71.9	0	0	109.7	E57 L75 I487 Y495	M55-E57 HydrophobicContact CE-CG 3.88Å; M55-E57 HydrophobicContact CG-CG 4.16Å; M55-E57 HydrophobicContact SD-CG 4.22Å; M55-L75 HydrophobicContact CG-CD1 4.03Å; M55-L75 HydrophobicContact CG-CD2 3.95Å; M55-L75 HydrophobicContact SD-CD2 4.47Å; M55-I487 VanDerWaalsContact CE-O 3.27Å; M55-I487 WeakPolarHBondContact CE-O 3.26Å; M55-Y495 HydrophobicContact SD-CD2 4.43Å; M55-Y495 HydrophobicContact SD-CE2 4.2Å
56	D	93.4	Very high	93.9	Very high	17 Å²	17	35.3 Å²	35.3	9%	0.091	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	95	174	-171.4	-31.3	0	0	0	108.3	D58 Q59 D60 R61 Y63 R140	D56-D58 PolarHBondContact O-N 3.49Å; D56-D58 WeakPolarHBondContact OD1-CB 3.49Å; D56-D58 PolarHBondContact OD1-N 3.26Å; D56-D58 VanDerWaalsContact OD1-N 3.14Å; D56-Q59 HydrophobicContact CB-CB 4.35Å; D56-Q59 PolarHBondContact O-N 2.68Å; D56-Q59 PolarHBondContact OD1-N 2.7Å; D56-D60 PolarHBondContact O-N 3.18Å; D56-R61 PolarHBondContact N-O 2.79Å; D56-R61 PolarHBondContact O-N 2.91Å; D56-Y63 HydrophobicContact CB-CE2 3.95Å; D56-R140 IonicContact OD2-CZ 2.74Å; D56-R140 IonicContact OD2-NH1 3.77Å; D56-R140 PolarHBondContact OD2-NH1 3.44Å; D56-R140 IonicContact OD2-NH2 3.92Å; D56-R140 PolarHBondContact OD2-NH2 3.01Å
57	E	91.3	Very high	94.2	Very high	68 Å²	68	29.4 Å²	29.4	32%	0.318	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-20	-179.4	-64.6	-163	134.7	0	0	113.1	M55 D60 L75 S488	M55-E57 HydrophobicContact CE-CG 3.88Å; M55-E57 HydrophobicContact CG-CG 4.16Å; M55-E57 HydrophobicContact SD-CG 4.22Å; E57-D60 PolarHBondContact O-N 2.9Å; E57-L75 HydrophobicContact CG-CD1 4.4Å; E57-S488 VanDerWaalsContact OE1-CB 3.25Å; E57-S488 WeakPolarHBondContact OE1-CB 3.4Å; E57-S488 PolarHBondContact OE1-OG 3.32Å
58	D	88.8	Confident	94.3	Very high	156 Å²	156	29.3 Å²	29.3	83%	0.834	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-33.9	176.6	-71.4	-24.9	0	0	0	111	D56	D56-D58 PolarHBondContact O-N 3.49Å; D56-D58 WeakPolarHBondContact OD1-CB 3.49Å; D56-D58 PolarHBondContact OD1-N 3.26Å; D56-D58 VanDerWaalsContact OD1-N 3.14Å
59	Q	89.4	Confident	94.5	Very high	26 Å²	26	29.9 Å²	29.9	12%	0.121	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	0.4	174.4	-66.9	-67.5	-46.6	0	0	113	D56 R61 R142 P144	D56-Q59 HydrophobicContact CB-CB 4.35Å; D56-Q59 PolarHBondContact O-N 2.68Å; D56-Q59 PolarHBondContact OD1-N 2.7Å; Q59-R61 HydrophobicContact CB-CB 4.33Å; Q59-R61 HydrophobicContact CB-CG 4.36Å; Q59-R61 WeakPolarHBondContact O-CG 3.46Å; Q59-R61 PolarHBondContact O-N 2.68Å; Q59-R61 VanDerWaalsContact O-N 3.09Å; Q59-R142 PolarHBondContact NE2-O 2.93Å; Q59-R142 PolarHBondContact OE1-O 3.34Å; Q59-P144 HydrophobicContact CB-CG 4.48Å; Q59-P144 WeakPolarHBondContact O-CG 3.21Å
60	D	92	Very high	94.6	Very high	50 Å²	50	29.2 Å²	29.2	27%	0.267	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	33	-173.3	-89.9	-14.2	0	0	0	112.8	D56 E57 L75 K491	D56-D60 PolarHBondContact O-N 3.18Å; E57-D60 PolarHBondContact O-N 2.9Å; D60-L75 PolarHBondContact O-N 3.44Å; D60-K491 WeakPolarHBondContact OD1-CE 3.44Å; D60-K491 IonicContact OD1-NZ 3.19Å; D60-K491 PolarHBondContact OD1-NZ 3.4Å; D60-K491 IonicContact OD2-NZ 3.68Å; D60-K491 PolarHBondContact OD2-NZ 3.5Å
61	R	93.8	Very high	94.6	Very high	18 Å²	18	29.2 Å²	29.2	7%	0.068	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147.5	-176.4	-69.7	-65.2	-175.2	161.5	0.4	112.5	D56 Q59 Y63 M73 G81 P144	D56-R61 PolarHBondContact N-O 2.79Å; D56-R61 PolarHBondContact O-N 2.91Å; Q59-R61 HydrophobicContact CB-CB 4.33Å; Q59-R61 HydrophobicContact CB-CG 4.36Å; Q59-R61 WeakPolarHBondContact O-CG 3.46Å; Q59-R61 PolarHBondContact O-N 2.68Å; Q59-R61 VanDerWaalsContact O-N 3.09Å; R61-Y63 HydrophobicContact CB-CE1 4.41Å; R61-Y63 HydrophobicContact CB-CE2 4.29Å; R61-M73 CarbonylContact C-O 3.41Å; R61-M73 VanDerWaalsContact CA-O 3.25Å; R61-M73 WeakPolarHBondContact CA-O 3.48Å; R61-M73 VanDerWaalsContact CD-O 3.29Å; R61-M73 WeakPolarHBondContact CD-O 3.42Å; R61-G81 PolarHBondContact NH1-O 2.72Å; R61-P144 PolarHBondContact NH2-O 2.96Å
62	M	96.2	Very high	94.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.7	165.9	-178.1	169.6	60	0	0	109.9	L53 V64 M73 L75 I78 Y495 V502	L53-M62 HydrophobicContact CB-SD 4.47Å; L53-M62 HydrophobicContact CD2-SD 3.95Å; M62-V64 HydrophobicContact CE-CG2 4.1Å; M62-V64 HydrophobicContact CG-CG2 3.96Å; M62-V64 HydrophobicContact SD-CG2 4.4Å; M62-M73 HydrophobicContact CB-CB 4.44Å; M62-M73 HydrophobicContact CE-CB 4.46Å; M62-M73 HydrophobicContact CE-SD 3.73Å; M62-M73 PolarHBondContact N-O 2.98Å; M62-M73 PolarHBondContact O-N 2.8Å; M62-L75 HydrophobicContact CB-CD2 3.7Å; M62-I78 HydrophobicContact CE-CG2 3.84Å; M62-Y495 HydrophobicContact CE-CD1 3.81Å; M62-Y495 HydrophobicContact CE-CG 4.17Å; M62-Y495 HydrophobicContact SD-CD1 4.11Å; M62-Y495 HydrophobicContact SD-CG 3.89Å; M62-V502 HydrophobicContact CE-CG1 3.67Å
63	Y	97.3	Very high	94.9	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.008	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.1	173.2	-54.1	-74.1	0	0	0	110	H54 D56 R61 L71 S72 L123 R140 F149	H54-Y63 PolarHBondContact N-O 3.15Å; H54-Y63 PolarHBondContact O-N 2.83Å; D56-Y63 HydrophobicContact CB-CE2 3.95Å; R61-Y63 HydrophobicContact CB-CE1 4.41Å; R61-Y63 HydrophobicContact CB-CE2 4.29Å; Y63-L71 CarbonylContact C-O 3.29Å; Y63-L71 VanDerWaalsContact CA-O 3.27Å; Y63-L71 WeakPolarHBondContact CA-O 3.42Å; Y63-S72 WeakPolarHBondContact CE1-OG 3.33Å; Y63-L123 HydrophobicContact CD1-CD1 3.51Å; Y63-L123 HydrophobicContact CD2-CD1 3.76Å; Y63-L123 HydrophobicContact CD2-CD2 4.39Å; Y63-L123 HydrophobicContact CE1-CD1 3.51Å; Y63-L123 HydrophobicContact CE2-CD1 3.76Å; Y63-L123 HydrophobicContact CE2-CD2 4.28Å; Y63-L123 HydrophobicContact CG-CD1 3.63Å; Y63-R140 HydrophobicContact CE1-CB 4.49Å; Y63-R140 WeakPolarHBondContact OH-CD 3.36Å; Y63-F149 AromaticContact CD1-CE2 3.87Å; Y63-F149 HydrophobicContact CD1-CE2 3.87Å; Y63-F149 HydrophobicContact CD1-CZ 4.28Å; Y63-F149 HydrophobicContact CE1-CD2 4.48Å; Y63-F149 AromaticContact CE1-CE2 3.92Å; Y63-F149 HydrophobicContact CE1-CE2 3.92Å
64	V	97.9	Very high	94.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.4	-176.2	-172.5	0	0	0	0	110.1	Y50 I52 L53 M62 V70 L71 M73 V502	Y50-V64 HydrophobicContact CD1-CG1 3.88Å; Y50-V64 HydrophobicContact CG-CG1 4.47Å; I52-V64 VanDerWaalsContact O-CA 3.31Å; I52-V64 WeakPolarHBondContact O-CA 3.1Å; L53-V64 HydrophobicContact CD2-CB 4.4Å; L53-V64 HydrophobicContact CD2-CG1 3.96Å; L53-V64 HydrophobicContact CD2-CG2 3.78Å; M62-V64 HydrophobicContact CE-CG2 4.1Å; M62-V64 HydrophobicContact CG-CG2 3.96Å; M62-V64 HydrophobicContact SD-CG2 4.4Å; V64-V70 WeakPolarHBondContact O-CA 3.45Å; V64-L71 HydrophobicContact CB-CB 4.13Å; V64-L71 HydrophobicContact CB-CD1 4.45Å; V64-L71 PolarHBondContact N-O 2.84Å; V64-L71 PolarHBondContact O-N 2.84Å; V64-M73 HydrophobicContact CB-CE 4.34Å; V64-M73 HydrophobicContact CG2-CE 3.88Å; V64-M73 HydrophobicContact CG2-SD 3.87Å; V64-V502 HydrophobicContact CG1-CG2 3.94Å; V64-V502 HydrophobicContact CG2-CG2 4.27Å
65	G	96.9	Very high	94.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.9	172.6	0	0	0	0	0	111.1	R51 I52	R51-G65 PolarHBondContact N-O 3.46Å; I52-G65 PolarHBondContact N-O 2.72Å; I52-G65 PolarHBondContact O-N 3.02Å; I52-G65 VanDerWaalsContact O-N 3.11Å
66	C	95.8	Very high	94.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	-175.5	174	63.3	0	0	0	0	111.3	M48 D49 Y50 D68 H69 V112	M48-C66 HydrophobicContact CB-CB 4.49Å; M48-C66 WeakPolarHBondContact O-CB 3.46Å; D49-C66 WeakPolarHBondContact O-CA 3.38Å; Y50-C66 HydrophobicContact CD1-CB 3.89Å; Y50-C66 HydrophobicContact CE1-CB 4.28Å; Y50-C66 HydrophobicContact CG-CB 4.07Å; C66-D68 PolarHBondContact O-N 3.25Å; C66-H69 CarbonylContact C-O 3.57Å; C66-H69 PolarHBondContact N-O 2.87Å; C66-H69 VanDerWaalsContact N-O 3.08Å; C66-H69 PolarHBondContact O-N 3.44Å; C66-H69 VanDerWaalsContact O-O 3.05Å; C66-H69 PolarHBondContact SG-O 2.8Å; C66-V112 WeakPolarHBondContact O-CG2 3.22Å
67	K	95.6	Very high	94.7	Very high	33 Å²	33	28 Å²	28	14%	0.143	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-62.2	122.3	178.7	-172.7	-173.8	-179.5	-177.4	0	110.4	M48 H69 T105 F111	M48-K67 HydrophobicContact CE-CB 4.17Å; M48-K67 WeakPolarHBondContact CE-O 3.39Å; M48-K67 VanDerWaalsContact O-CB 3.27Å; M48-K67 WeakPolarHBondContact O-CB 3.47Å; M48-K67 PolarHBondContact O-N 2.85Å; K67-H69 PolarHBondContact O-N 2.84Å; K67-H69 PolarHBondContact O-ND1 3.44Å; K67-T105 PolarHBondContact NZ-O 3.21Å; K67-T105 VanDerWaalsContact NZ-O 3.13Å; K67-F111 HydrophobicContact CB-CD1 4.05Å; K67-F111 HydrophobicContact CB-CE1 3.86Å; K67-F111 HydrophobicContact CB-CZ 4.38Å; K67-F111 HydrophobicContact CD-CE1 3.94Å; K67-F111 HydrophobicContact CD-CE2 4.45Å; K67-F111 HydrophobicContact CD-CZ 3.72Å; K67-F111 HydrophobicContact CG-CD1 4.23Å; K67-F111 HydrophobicContact CG-CE1 3.8Å; K67-F111 HydrophobicContact CG-CE2 4.25Å; K67-F111 HydrophobicContact CG-CZ 3.81Å
68	D	95.8	Very high	94.9	Very high	28 Å²	28	24.7 Å²	24.7	15%	0.15	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	9.2	178	-54.3	-47.2	0	0	0	114.8	C66 F86 W87 P88 N110	C66-D68 PolarHBondContact O-N 3.25Å; D68-F86 HydrophobicContact CB-CD2 4.41Å; D68-F86 HydrophobicContact CB-CE2 3.92Å; D68-F86 VanDerWaalsContact O-CD2 3.26Å; D68-F86 WeakPolarHBondContact O-CD2 3.31Å; D68-W87 CarbonylContact O-C 3.45Å; D68-W87 PolarHBondContact O-N 3.43Å; D68-P88 HydrophobicContact CB-CB 4.08Å; D68-P88 WeakPolarHBondContact OD1-CA 3.27Å; D68-N110 PolarHBondContact N-O 2.8Å; D68-N110 PolarHBondContact OD1-N 2Å
69	H	96.1	Very high	95.1	Very high	32 Å²	32	20.1 Å²	20.1	15%	0.148	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151.2	-175.7	-59	75.2	0	0	0	112.2	I43 C66 K67 L85 F86	I43-H69 HydrophobicContact CD1-CB 3.74Å; C66-H69 CarbonylContact C-O 3.57Å; C66-H69 PolarHBondContact N-O 2.87Å; C66-H69 VanDerWaalsContact N-O 3.08Å; C66-H69 PolarHBondContact O-N 3.44Å; C66-H69 VanDerWaalsContact O-O 3.05Å; C66-H69 PolarHBondContact SG-O 2.8Å; K67-H69 PolarHBondContact O-N 2.84Å; K67-H69 PolarHBondContact O-ND1 3.44Å; H69-L85 CarbonylContact C-O 3.55Å; H69-L85 VanDerWaalsContact CA-O 3.22Å; H69-L85 WeakPolarHBondContact CA-O 3.37Å; H69-F86 AromaticContact CD2-CD2 3.81Å; H69-F86 AromaticContact CE1-CD2 3.5Å; H69-F86 AromaticContact CE1-CE2 3.73Å; H69-F86 AromaticContact NE2-CD2 3.36Å; H69-F86 WeakPolarHBondContact NE2-CD2 3.21Å; H69-F86 AromaticContact NE2-CE2 3.97Å
70	V	97.2	Very high	95.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.6	165.9	-170.5	0	0	0	0	108.1	V64 L85 W87 V112 M125 I138 F149	V64-V70 WeakPolarHBondContact O-CA 3.45Å; V70-L85 HydrophobicContact CB-CB 4.31Å; V70-L85 PolarHBondContact N-O 2.83Å; V70-L85 PolarHBondContact O-N 2.82Å; V70-W87 HydrophobicContact CG2-CE3 4.14Å; V70-V112 HydrophobicContact CG2-CG2 3.9Å; V70-M125 HydrophobicContact CB-SD 4.35Å; V70-M125 HydrophobicContact CG1-CE 3.7Å; V70-M125 HydrophobicContact CG1-SD 3.44Å; V70-M125 WeakPolarHBondContact CG1-SD 3.43Å; V70-M125 HydrophobicContact CG2-SD 3.96Å; V70-I138 HydrophobicContact CG1-CD1 4.45Å; V70-I138 HydrophobicContact CG2-CD1 4.27Å; V70-F149 HydrophobicContact CB-CE1 4.3Å; V70-F149 HydrophobicContact CB-CZ 4.24Å; V70-F149 HydrophobicContact CG1-CE1 4.15Å; V70-F149 HydrophobicContact CG1-CZ 3.64Å
71	L	97.1	Very high	94.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	144.5	178.8	-48.8	175.6	0	0	0	110.5	F41 I43 Y50 Y63 V64 M73 T82 L83 K84	F41-L71 HydrophobicContact CD1-CD1 4.19Å; F41-L71 HydrophobicContact CE1-CD1 3.7Å; I43-L71 HydrophobicContact CD1-CD1 3.91Å; I43-L71 HydrophobicContact CD1-CD2 3.59Å; I43-L71 HydrophobicContact CD1-CG 4.1Å; I43-L71 HydrophobicContact CG1-CD1 4.03Å; I43-L71 HydrophobicContact CG1-CD2 4.09Å; Y50-L71 HydrophobicContact CD1-CD1 4.32Å; Y50-L71 HydrophobicContact CE1-CD1 3.93Å; Y63-L71 CarbonylContact C-O 3.29Å; Y63-L71 VanDerWaalsContact CA-O 3.27Å; Y63-L71 WeakPolarHBondContact CA-O 3.42Å; V64-L71 HydrophobicContact CB-CB 4.13Å; V64-L71 HydrophobicContact CB-CD1 4.45Å; V64-L71 PolarHBondContact N-O 2.84Å; V64-L71 PolarHBondContact O-N 2.84Å; L71-M73 HydrophobicContact CB-CE 3.95Å; L71-M73 HydrophobicContact CB-CG 4.43Å; L71-M73 HydrophobicContact CD1-CE 3.28Å; L71-M73 HydrophobicContact CG-CE 4.26Å; L71-T82 HydrophobicContact CB-CG2 4.47Å; L71-L83 WeakPolarHBondContact CA-O 3.36Å; L71-K84 HydrophobicContact CD2-CB 4.06Å; L71-K84 HydrophobicContact CD2-CG 3.81Å
72	S	96.4	Very high	94.8	Very high	4 Å²	4	24.4 Å²	24.4	3%	0.028	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	109.5	166.6	175.2	0	0	0	0	108.1	Y63 T82 L83	Y63-S72 WeakPolarHBondContact CE1-OG 3.33Å; S72-T82 CarbonylContact O-C 3.54Å; S72-T82 WeakPolarHBondContact O-CA 3.34Å; S72-L83 PolarHBondContact N-O 3.5Å; S72-L83 PolarHBondContact O-N 3.42Å
73	M	95.6	Very high	94.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	146.7	-175	-59.7	179.3	-178.6	0	0	110.5	F41 R61 M62 V64 L71 I78 T82 V502	F41-M73 HydrophobicContact CB-CE 4.47Å; F41-M73 HydrophobicContact CD1-CE 3.43Å; F41-M73 VanDerWaalsContact CD1-CE 3.43Å; F41-M73 HydrophobicContact CE1-CE 3.95Å; F41-M73 HydrophobicContact CG-CE 4.1Å; R61-M73 CarbonylContact C-O 3.41Å; R61-M73 VanDerWaalsContact CA-O 3.25Å; R61-M73 WeakPolarHBondContact CA-O 3.48Å; R61-M73 VanDerWaalsContact CD-O 3.29Å; R61-M73 WeakPolarHBondContact CD-O 3.42Å; M62-M73 HydrophobicContact CB-CB 4.44Å; M62-M73 HydrophobicContact CE-CB 4.46Å; M62-M73 HydrophobicContact CE-SD 3.73Å; M62-M73 PolarHBondContact N-O 2.98Å; M62-M73 PolarHBondContact O-N 2.8Å; V64-M73 HydrophobicContact CB-CE 4.34Å; V64-M73 HydrophobicContact CG2-CE 3.88Å; V64-M73 HydrophobicContact CG2-SD 3.87Å; L71-M73 HydrophobicContact CB-CE 3.95Å; L71-M73 HydrophobicContact CB-CG 4.43Å; L71-M73 HydrophobicContact CD1-CE 3.28Å; L71-M73 HydrophobicContact CG-CE 4.26Å; M73-I78 HydrophobicContact CB-CB 4.36Å; M73-I78 HydrophobicContact CB-CG2 4.35Å; M73-I78 HydrophobicContact SD-CB 3.97Å; M73-I78 HydrophobicContact SD-CG2 4.25Å; M73-T82 HydrophobicContact CG-CG2 3.87Å; M73-V502 HydrophobicContact CE-CB 4.41Å; M73-V502 HydrophobicContact CE-CG2 4.21Å; M73-V502 HydrophobicContact SD-CB 4.48Å
74	D	94.4	Very high	94.6	Very high	39 Å²	39	31.6 Å²	31.6	21%	0.209	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	132.2	170	-173.8	-29.1	0	0	0	109.9	N76 N77 I78	D74-N76 VanDerWaalsContact C-N 3.27Å; D74-N76 PolarHBondContact O-N 2.86Å; D74-N76 WeakPolarHBondContact OD1-CB 3.3Å; D74-N76 PolarHBondContact OD1-N 3.29Å; D74-N76 PolarHBondContact OD1-ND2 3.49Å; D74-N77 CarbonylContact O-C 3.59Å; D74-N77 VanDerWaalsContact O-C 3.26Å; D74-N77 PolarHBondContact O-N 2.87Å; D74-I78 PolarHBondContact O-N 2.82Å
75	L	94.6	Very high	94.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-65.1	-29.3	177.4	-71.1	-177.9	0	0	0	112.8	M55 E57 D60 M62 Y495 Q504	M55-L75 HydrophobicContact CG-CD1 4.03Å; M55-L75 HydrophobicContact CG-CD2 3.95Å; M55-L75 HydrophobicContact SD-CD2 4.47Å; E57-L75 HydrophobicContact CG-CD1 4.4Å; D60-L75 PolarHBondContact O-N 3.44Å; M62-L75 HydrophobicContact CB-CD2 3.7Å; L75-Y495 WeakPolarHBondContact CB-OH 3.48Å; L75-Y495 HydrophobicContact CD2-CE1 4.18Å; L75-Y495 HydrophobicContact CD2-CE2 3.93Å; L75-Y495 PolarHBondContact O-OH 2.91Å; L75-Q504 PolarHBondContact O-NE2 2.87Å
76	N	93.4	Very high	94.5	Very high	82 Å²	82	39.1 Å²	39.1	44%	0.439	20%	0.2	S	C	.	.	S	Bend	trans	-73.6	-38	179.9	-52.9	-68.9	0	0	0	111.5	D74 K491 Q504	D74-N76 VanDerWaalsContact C-N 3.27Å; D74-N76 PolarHBondContact O-N 2.86Å; D74-N76 WeakPolarHBondContact OD1-CB 3.3Å; D74-N76 PolarHBondContact OD1-N 3.29Å; D74-N76 PolarHBondContact OD1-ND2 3.49Å; N76-K491 PolarHBondContact OD1-NZ 2.89Å; N76-Q504 PolarHBondContact O-NE2 3.19Å
77	N	94.1	Very high	94.5	Very high	49 Å²	49	39.4 Å²	39.4	26%	0.262	20%	0.201	S	C	.	.			trans	-150.6	108.3	174.3	-170.7	-33.8	0	0	0	111.3	D74 T79 H80	D74-N77 CarbonylContact O-C 3.59Å; D74-N77 VanDerWaalsContact O-C 3.26Å; D74-N77 PolarHBondContact O-N 2.87Å; N77-T79 PolarHBondContact O-N 3.4Å; N77-T79 VanDerWaalsContact O-N 3.07Å; N77-T79 WeakPolarHBondContact OD1-CB 3.45Å; N77-T79 PolarHBondContact OD1-N 3.45Å; N77-T79 PolarHBondContact OD1-OG1 2.92Å; N77-H80 HydrophobicContact CB-CB 4.29Å; N77-H80 PolarHBondContact O-N 3.08Å; N77-H80 VanDerWaalsContact O-N 3.13Å
78	I	95.4	Very high	94.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12.2	-176.8	63.3	166.6	0	0	0	114.7	E39 F41 M62 M73 D74 T82 Y495 V502 Q504	E39-I78 HydrophobicContact CB-CG1 4.09Å; F41-I78 HydrophobicContact CB-CD1 4.07Å; F41-I78 HydrophobicContact CB-CG1 4.36Å; M62-I78 HydrophobicContact CE-CG2 3.84Å; M73-I78 HydrophobicContact CB-CB 4.36Å; M73-I78 HydrophobicContact CB-CG2 4.35Å; M73-I78 HydrophobicContact SD-CB 3.97Å; M73-I78 HydrophobicContact SD-CG2 4.25Å; D74-I78 PolarHBondContact O-N 2.82Å; I78-T82 PolarHBondContact O-OG1 2.76Å; I78-Y495 HydrophobicContact CG2-CD1 3.92Å; I78-Y495 HydrophobicContact CG2-CE1 3.91Å; I78-V502 HydrophobicContact CD1-CB 4.47Å; I78-V502 HydrophobicContact CD1-CG1 4.28Å; I78-V502 VanDerWaalsContact CD1-O 3.31Å; I78-V502 WeakPolarHBondContact CD1-O 3.26Å; I78-Q504 HydrophobicContact CD1-CB 3.69Å; I78-Q504 HydrophobicContact CG1-CB 3.82Å; I78-Q504 HydrophobicContact CG2-CB 4.06Å
79	T	93.1	Very high	94.5	Very high	60 Å²	60	39.5 Å²	39.5	37%	0.368	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-16.8	178.8	70.6	0	0	0	0	112.7	E39 N77	E39-T79 HydrophobicContact CB-CG2 4.11Å; N77-T79 PolarHBondContact O-N 3.4Å; N77-T79 VanDerWaalsContact O-N 3.07Å; N77-T79 WeakPolarHBondContact OD1-CB 3.45Å; N77-T79 PolarHBondContact OD1-N 3.45Å; N77-T79 PolarHBondContact OD1-OG1 2.92Å
80	H	90.3	Very high	94.4	Very high	132 Å²	132	41.1 Å²	41.1	61%	0.611	22%	0.223	S	C	*	.	S	Bend	trans	-106.7	136.7	-175.8	-169.1	-100.5	0	0	0	111.5	N77 T82	N77-H80 HydrophobicContact CB-CB 4.29Å; N77-H80 PolarHBondContact O-N 3.08Å; N77-H80 VanDerWaalsContact O-N 3.13Å; H80-T82 PolarHBondContact O-N 2.91Å
81	G	84.4	Confident	94.3	Very high	28 Å²	28	46.5 Å²	46.5	29%	0.289	26%	0.255	S	S	.	.	S	Bend	trans	65.5	22.5	176.3	0	0	0	0	0	115	R61 L83	R61-G81 PolarHBondContact NH1-O 2.72Å; G81-L83 PolarHBondContact O-N 2.8Å
82	T	93.1	Very high	94.3	Very high	24 Å²	24	49.1 Å²	49.1	15%	0.147	27%	0.274	C	S	.	.			trans	-74.3	117.2	179.8	-62	0	0	0	0	111.4	F41 L71 S72 M73 I78 H80	F41-T82 HydrophobicContact CE1-CG2 4.36Å; F41-T82 HydrophobicContact CE2-CG2 4.16Å; F41-T82 HydrophobicContact CZ-CG2 3.95Å; L71-T82 HydrophobicContact CB-CG2 4.47Å; S72-T82 CarbonylContact O-C 3.54Å; S72-T82 WeakPolarHBondContact O-CA 3.34Å; M73-T82 HydrophobicContact CG-CG2 3.87Å; I78-T82 PolarHBondContact O-OG1 2.76Å; H80-T82 PolarHBondContact O-N 2.91Å
83	L	94.4	Very high	94.2	Very high	34 Å²	34	52.1 Å²	52.1	18%	0.178	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	138.2	175.2	-51.5	174.7	0	0	0	109.4	L71 S72 G81 Q147 F149	L71-L83 WeakPolarHBondContact CA-O 3.36Å; S72-L83 PolarHBondContact N-O 3.5Å; S72-L83 PolarHBondContact O-N 3.42Å; G81-L83 PolarHBondContact O-N 2.8Å; L83-Q147 HydrophobicContact CD1-CB 4.28Å; L83-Q147 HydrophobicContact CD2-CB 4.37Å; L83-F149 HydrophobicContact CB-CB 3.95Å; L83-F149 HydrophobicContact CB-CD1 4.02Å; L83-F149 HydrophobicContact CB-CG 4.23Å; L83-F149 HydrophobicContact CD1-CB 3.62Å; L83-F149 HydrophobicContact CD1-CG 4.46Å; L83-F149 HydrophobicContact CG-CB 4.43Å
84	K	95.3	Very high	94.2	Very high	118 Å²	118	54.3 Å²	54.3	51%	0.513	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.5	-175.4	-52	-179.2	-172	-173.2	0	109.3	L71	L71-K84 HydrophobicContact CD2-CB 4.06Å; L71-K84 HydrophobicContact CD2-CG 3.81Å
85	L	96.3	Very high	94.3	Very high	24 Å²	24	58 Å²	58	13%	0.126	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.9	171.8	-178.8	71.6	0	0	0	108.7	H69 V70 I138 F149 V151	H69-L85 CarbonylContact C-O 3.55Å; H69-L85 VanDerWaalsContact CA-O 3.22Å; H69-L85 WeakPolarHBondContact CA-O 3.37Å; V70-L85 HydrophobicContact CB-CB 4.31Å; V70-L85 PolarHBondContact N-O 2.83Å; V70-L85 PolarHBondContact O-N 2.82Å; L85-I138 HydrophobicContact CD2-CD1 3.48Å; L85-I138 VanDerWaalsContact CD2-CD1 3.48Å; L85-I138 HydrophobicContact CD2-CG1 4.12Å; L85-F149 HydrophobicContact CB-CD1 4.05Å; L85-F149 HydrophobicContact CB-CE1 3.79Å; L85-V151 HydrophobicContact CD1-CG2 4.24Å; L85-V151 HydrophobicContact CD2-CG2 3.73Å; L85-V151 HydrophobicContact CG-CG2 4.49Å
86	F	96.4	Very high	94.3	Very high	134 Å²	134	62 Å²	62	59%	0.588	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	118.2	172.7	-177.1	-126	0	0	0	109.6	D68 H69 P88	D68-F86 HydrophobicContact CB-CD2 4.41Å; D68-F86 HydrophobicContact CB-CE2 3.92Å; D68-F86 VanDerWaalsContact O-CD2 3.26Å; D68-F86 WeakPolarHBondContact O-CD2 3.31Å; H69-F86 AromaticContact CD2-CD2 3.81Å; H69-F86 AromaticContact CE1-CD2 3.5Å; H69-F86 AromaticContact CE1-CE2 3.73Å; H69-F86 AromaticContact NE2-CD2 3.36Å; H69-F86 WeakPolarHBondContact NE2-CD2 3.21Å; H69-F86 AromaticContact NE2-CE2 3.97Å; F86-P88 HydrophobicContact CD1-CG 4.11Å; F86-P88 HydrophobicContact CE1-CB 4.29Å; F86-P88 HydrophobicContact CE1-CG 3.53Å; F86-P88 HydrophobicContact CE2-CB 4.05Å; F86-P88 HydrophobicContact CE2-CG 4.09Å; F86-P88 HydrophobicContact CZ-CB 3.75Å; F86-P88 HydrophobicContact CZ-CG 3.52Å
87	W	95.8	Very high	94.4	Very high	7 Å²	7	58.2 Å²	58.2	3%	0.027	31%	0.312	C	S	.	.			trans	-138.2	71.2	-175.8	-176.7	31	0	0	0	111	D68 V70 N110 V112 M125 V134 V136	D68-W87 CarbonylContact O-C 3.45Å; D68-W87 PolarHBondContact O-N 3.43Å; V70-W87 HydrophobicContact CG2-CE3 4.14Å; W87-N110 VanDerWaalsContact CD2-ND2 3.33Å; W87-N110 WeakPolarHBondContact O-CB 3.39Å; W87-N110 PolarHBondContact O-ND2 2.74Å; W87-V112 HydrophobicContact CE3-CG2 4.28Å; W87-V112 HydrophobicContact CZ3-CG2 4.38Å; W87-M125 HydrophobicContact CZ3-CB 4.27Å; W87-V134 HydrophobicContact CH2-CG2 4.44Å; W87-V134 HydrophobicContact CZ2-CB 4.34Å; W87-V134 HydrophobicContact CZ2-CG2 3.7Å; W87-V136 HydrophobicContact CD2-CG2 4.36Å; W87-V136 HydrophobicContact CE3-CG2 4.28Å; W87-V136 HydrophobicContact CH2-CG1 4.41Å; W87-V136 HydrophobicContact CH2-CG2 3.63Å; W87-V136 HydrophobicContact CZ2-CB 4.28Å; W87-V136 HydrophobicContact CZ2-CG1 3.72Å; W87-V136 HydrophobicContact CZ2-CG2 3.71Å; W87-V136 HydrophobicContact CZ3-CG2 3.93Å
88	P	95.7	Very high	94.4	Very high	50 Å²	50	59.7 Å²	59.7	33%	0.325	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-78.6	165	179	35.6	-39.3	0	0	0	112.6	D68 F86	D68-P88 HydrophobicContact CB-CB 4.08Å; D68-P88 WeakPolarHBondContact OD1-CA 3.27Å; F86-P88 HydrophobicContact CD1-CG 4.11Å; F86-P88 HydrophobicContact CE1-CB 4.29Å; F86-P88 HydrophobicContact CE1-CG 3.53Å; F86-P88 HydrophobicContact CE2-CB 4.05Å; F86-P88 HydrophobicContact CE2-CG 4.09Å; F86-P88 HydrophobicContact CZ-CB 3.75Å; F86-P88 HydrophobicContact CZ-CG 3.52Å
89	A	95.3	Very high	94.4	Very high	12 Å²	12	66.8 Å²	66.8	10%	0.099	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-70.4	154.1	166.2	0	0	0	0	0	111.1	I94 N110 A130	A89-I94 HydrophobicContact CB-CD1 4.37Å; A89-I94 HydrophobicContact CB-CG1 4Å; A89-N110 HydrophobicContact CB-CB 4.27Å; A89-A130 HydrophobicContact CB-CB 3.66Å
90	S	94.6	Very high	94.4	Very high	67 Å²	67	66.6 Å²	66.6	47%	0.469	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-67.5	151.4	176.6	73.6	0	0	0	0	111.5	S92 K93 I94	S90-S92 VanDerWaalsContact C-N 3.27Å; S90-S92 PolarHBondContact O-N 2.66Å; S90-K93 PolarHBondContact O-N 2.75Å; S90-K93 VanDerWaalsContact OG-CG 3.3Å; S90-K93 WeakPolarHBondContact OG-CG 3.3Å; S90-K93 PolarHBondContact OG-N 2.75Å; S90-I94 WeakPolarHBondContact O-CG1 3.35Å; S90-I94 PolarHBondContact O-N 3.4Å
91	T	94.9	Very high	94.4	Very high	112 Å²	112	63.5 Å²	63.5	69%	0.687	36%	0.361	S	S	*	.	H	α-helix	trans	-58.7	-39	-179.1	50.3	0	0	0	0	112.6	I94 Q95	T91-I94 PolarHBondContact O-N 2.75Å; T91-Q95 WeakPolarHBondContact O-CG 3.46Å; T91-Q95 PolarHBondContact O-N 3.29Å
92	S	96.2	Very high	94.8	Very high	56 Å²	56	65.2 Å²	65.2	39%	0.392	36%	0.36	S	S	.	.	H	α-helix	trans	-60.9	-44.2	173.8	155.4	0	0	0	0	111.9	S90 Q95 E96	S90-S92 VanDerWaalsContact C-N 3.27Å; S90-S92 PolarHBondContact O-N 2.66Å; S92-Q95 PolarHBondContact O-N 3.45Å; S92-E96 WeakPolarHBondContact O-CG 3.17Å; S92-E96 PolarHBondContact O-N 2.87Å; S92-E96 PolarHBondContact OG-OE1 2.83Å
93	K	95.3	Very high	94.3	Very high	67 Å²	67	67.7 Å²	67.7	29%	0.291	37%	0.373	S	S	.	.	H	α-helix	trans	-68.9	-35.3	178.3	-67.8	-65.8	166.9	-157.6	0	113	S90 Q95 E96 C97	S90-K93 PolarHBondContact O-N 2.75Å; S90-K93 VanDerWaalsContact OG-CG 3.3Å; S90-K93 WeakPolarHBondContact OG-CG 3.3Å; S90-K93 PolarHBondContact OG-N 2.75Å; K93-Q95 VanDerWaalsContact C-N 3.35Å; K93-E96 WeakPolarHBondContact CD-OE2 3.47Å; K93-E96 IonicContact NZ-OE1 2.88Å; K93-E96 PolarHBondContact NZ-OE1 2.96Å; K93-E96 IonicContact NZ-OE2 2.67Å; K93-E96 PolarHBondContact NZ-OE2 2.78Å; K93-E96 PolarHBondContact O-N 3.24Å; K93-C97 VanDerWaalsContact O-CB 3.31Å; K93-C97 WeakPolarHBondContact O-CB 3.48Å; K93-C97 PolarHBondContact O-N 2.9Å
94	I	95.4	Very high	93.4	Very high	45 Å²	45	69.6 Å²	69.6	23%	0.231	39%	0.389	C	S	.	.	H	α-helix	trans	-62	-44.8	172.6	-66.1	168.8	0	0	0	110.4	A89 S90 T91 C97 Q98 C108 A130	A89-I94 HydrophobicContact CB-CD1 4.37Å; A89-I94 HydrophobicContact CB-CG1 4Å; S90-I94 WeakPolarHBondContact O-CG1 3.35Å; S90-I94 PolarHBondContact O-N 3.4Å; T91-I94 PolarHBondContact O-N 2.75Å; I94-C97 WeakPolarHBondContact O-CB 3.11Å; I94-C97 PolarHBondContact O-N 2.76Å; I94-Q98 VanDerWaalsContact O-CG 3.26Å; I94-Q98 WeakPolarHBondContact O-CG 3.49Å; I94-Q98 PolarHBondContact O-N 3.11Å; I94-C108 HydrophobicContact CG2-CB 4.27Å; I94-A130 HydrophobicContact CG1-CB 4.19Å
95	Q	95.3	Very high	92.3	Very high	116 Å²	116	68 Å²	68	54%	0.542	39%	0.389	S	S	.	.	H	α-helix	trans	-63.3	-44.7	176.7	-71.9	172.4	-4.9	0	0	111.9	T91 S92 K93 C97 Q98 M99	T91-Q95 WeakPolarHBondContact O-CG 3.46Å; T91-Q95 PolarHBondContact O-N 3.29Å; S92-Q95 PolarHBondContact O-N 3.45Å; K93-Q95 VanDerWaalsContact C-N 3.35Å; Q95-C97 VanDerWaalsContact C-N 3.35Å; Q95-C97 PolarHBondContact O-N 2.78Å; Q95-Q98 PolarHBondContact O-N 2.82Å; Q95-M99 WeakPolarHBondContact O-CB 3.47Å; Q95-M99 VanDerWaalsContact O-CG 3.32Å; Q95-M99 WeakPolarHBondContact O-CG 3.21Å; Q95-M99 PolarHBondContact O-N 2.83Å
96	E	95.7	Very high	91.3	Very high	84 Å²	84	72.1 Å²	72.1	39%	0.393	41%	0.407	S	S	.	.	H	α-helix	trans	-58.3	-45.4	175	-73.7	172.9	-154.2	0	0	112	S92 K93 Q98 M99 A100	S92-E96 WeakPolarHBondContact O-CG 3.17Å; S92-E96 PolarHBondContact O-N 2.87Å; S92-E96 PolarHBondContact OG-OE1 2.83Å; K93-E96 WeakPolarHBondContact CD-OE2 3.47Å; K93-E96 IonicContact NZ-OE1 2.88Å; K93-E96 PolarHBondContact NZ-OE1 2.96Å; K93-E96 IonicContact NZ-OE2 2.67Å; K93-E96 PolarHBondContact NZ-OE2 2.78Å; K93-E96 PolarHBondContact O-N 3.24Å; E96-Q98 VanDerWaalsContact C-N 3.33Å; E96-Q98 PolarHBondContact O-N 3.07Å; E96-M99 HydrophobicContact CG-CE 4.22Å; E96-M99 PolarHBondContact O-N 3.31Å; E96-A100 WeakPolarHBondContact O-CB 3.41Å; E96-A100 PolarHBondContact O-N 3.15Å
97	C	95.3	Very high	90.6	Very high	3 Å²	3	66 Å²	66	2%	0.02	38%	0.382	C	S	.	.	H	α-helix	trans	-59.2	-43.1	176.4	173.4	0	0	0	0	112.3	K93 I94 Q95 A100 K102 C108 A130 Y131	K93-C97 VanDerWaalsContact O-CB 3.31Å; K93-C97 WeakPolarHBondContact O-CB 3.48Å; K93-C97 PolarHBondContact O-N 2.9Å; I94-C97 WeakPolarHBondContact O-CB 3.11Å; I94-C97 PolarHBondContact O-N 2.76Å; Q95-C97 VanDerWaalsContact C-N 3.35Å; Q95-C97 PolarHBondContact O-N 2.78Å; C97-A100 PolarHBondContact O-N 2.97Å; C97-K102 WeakPolarHBondContact O-CB 3.35Å; C97-K102 PolarHBondContact O-N 2.85Å; C97-C108 HydrophobicContact CB-CB 3.77Å; C97-C108 WeakPolarHBondContact CB-SG 3.3Å; C97-C108 WeakPolarHBondContact SG-CA 3.29Å; C97-C108 WeakPolarHBondContact SG-CB 3.2Å; C97-C108 CovalentContact SG-SG 2.05Å; C97-C108 PolarHBondContact SG-SG 3.11Å; C97-A130 HydrophobicContact CB-CB 4.14Å; C97-A130 WeakPolarHBondContact CB-O 3.48Å; C97-Y131 VanDerWaalsContact SG-CD2 3.59Å
98	Q	94.8	Very high	90.5	Very high	81 Å²	81	66 Å²	66	38%	0.379	38%	0.383	S	S	.	.	H	α-helix	trans	-67.4	-41.8	177.1	-70.3	171.9	-5.8	0	0	111.7	I94 Q95 E96 A100 G101 C108	I94-Q98 VanDerWaalsContact O-CG 3.26Å; I94-Q98 WeakPolarHBondContact O-CG 3.49Å; I94-Q98 PolarHBondContact O-N 3.11Å; Q95-Q98 PolarHBondContact O-N 2.82Å; E96-Q98 VanDerWaalsContact C-N 3.33Å; E96-Q98 PolarHBondContact O-N 3.07Å; Q98-A100 PolarHBondContact O-N 3.22Å; Q98-G101 PolarHBondContact O-N 2.85Å; Q98-C108 HydrophobicContact CG-CB 4.28Å
99	M	94.5	Very high	90.5	Very high	149 Å²	149	63.7 Å²	63.7	73%	0.734	37%	0.368	S	S	*	.	H	α-helix	trans	-63.8	-30.4	174.7	-71.5	-173.5	-66.8	0	0	112.2	Q95 E96 G101	Q95-M99 WeakPolarHBondContact O-CB 3.47Å; Q95-M99 VanDerWaalsContact O-CG 3.32Å; Q95-M99 WeakPolarHBondContact O-CG 3.21Å; Q95-M99 PolarHBondContact O-N 2.83Å; E96-M99 HydrophobicContact CG-CE 4.22Å; E96-M99 PolarHBondContact O-N 3.31Å; M99-G101 PolarHBondContact O-N 2.98Å
100	A	92.7	Very high	90.5	Very high	55 Å²	55	63.1 Å²	63.1	46%	0.455	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	6.7	172.5	0	0	0	0	0	113.8	E96 C97 Q98 K102 F187	E96-A100 WeakPolarHBondContact O-CB 3.41Å; E96-A100 PolarHBondContact O-N 3.15Å; C97-A100 PolarHBondContact O-N 2.97Å; Q98-A100 PolarHBondContact O-N 3.22Å; A100-K102 PolarHBondContact O-N 3.01Å; A100-F187 HydrophobicContact CB-CZ 3.95Å
101	G	92	Very high	90.6	Very high	68 Å²	68	60.3 Å²	60.3	70%	0.701	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	16.5	174.5	0	0	0	0	0	114.8	Q98 M99	Q98-G101 PolarHBondContact O-N 2.85Å; M99-G101 PolarHBondContact O-N 2.98Å
102	K	91.4	Very high	90.7	Very high	63 Å²	63	55 Å²	55	27%	0.274	31%	0.31	S	S	.	.			trans	-79.3	158.1	174.5	-56.8	-58.5	-174.5	176.8	0	110.8	C97 A100 S104 Y131	C97-K102 WeakPolarHBondContact O-CB 3.35Å; C97-K102 PolarHBondContact O-N 2.85Å; A100-K102 PolarHBondContact O-N 3.01Å; K102-S104 PolarHBondContact O-N 3.43Å; K102-S104 VanDerWaalsContact O-N 3.11Å; K102-Y131 HydrophobicContact CB-CD2 4.47Å; K102-Y131 HydrophobicContact CB-CE2 4.06Å; K102-Y131 HydrophobicContact CD-CD1 4.38Å; K102-Y131 HydrophobicContact CD-CE1 3.81Å; K102-Y131 HydrophobicContact CD-CE2 4.12Å; K102-Y131 VanDerWaalsContact CE-CE1 3.41Å; K102-Y131 HydrophobicContact CG-CD1 4.42Å; K102-Y131 HydrophobicContact CG-CD2 4.07Å; K102-Y131 HydrophobicContact CG-CE1 4.22Å; K102-Y131 HydrophobicContact CG-CE2 3.85Å; K102-Y131 HydrophobicContact CG-CG 4.35Å
103	D	83.8	Confident	90.7	Very high	77 Å²	77	52.6 Å²	52.6	41%	0.412	29%	0.293	S	S	.	.			trans	-58.6	116.4	179.5	179.5	-6.2	0	0	0	111.1	T105 H106 G107 C108	D103-T105 VanDerWaalsContact C-N 3.29Å; D103-T105 PolarHBondContact O-N 2.66Å; D103-T105 PolarHBondContact OD1-N 2.85Å; D103-T105 PolarHBondContact OD1-OG1 3.43Å; D103-H106 PolarHBondContact OD1-N 2.88Å; D103-H106 WeakPolarHBondContact OD2-CB 3.41Å; D103-H106 IonicContact OD2-CG 2.83Å; D103-H106 PolarHBondContact OD2-N 2.94Å; D103-H106 IonicContact OD2-ND1 3.16Å; D103-G107 CarbonylContact O-C 3.47Å; D103-G107 WeakPolarHBondContact O-CA 3.48Å; D103-G107 PolarHBondContact O-N 3.49Å; D103-C108 PolarHBondContact O-N 2.94Å
104	S	74.7	Confident	90.8	Very high	73 Å²	73	49.4 Å²	49.4	51%	0.51	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-24.5	-178.2	59.3	0	0	0	0	113.6	K102	K102-S104 PolarHBondContact O-N 3.43Å; K102-S104 VanDerWaalsContact O-N 3.11Å
105	T	71.9	Confident	90.9	Very high	85 Å²	85	47.4 Å²	47.4	52%	0.521	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-45.2	-177.2	44.5	0	0	0	0	112.9	K67 D103	K67-T105 PolarHBondContact NZ-O 3.21Å; K67-T105 VanDerWaalsContact NZ-O 3.13Å; D103-T105 VanDerWaalsContact C-N 3.29Å; D103-T105 PolarHBondContact O-N 2.66Å; D103-T105 PolarHBondContact OD1-N 2.85Å; D103-T105 PolarHBondContact OD1-OG1 3.43Å
106	H	74.9	Confident	91	Very high	110 Å²	110	43 Å²	43	51%	0.509	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121	-2.4	-173.8	-53.2	89.4	0	0	0	114.3	D103 F111	D103-H106 PolarHBondContact OD1-N 2.88Å; D103-H106 WeakPolarHBondContact OD2-CB 3.41Å; D103-H106 IonicContact OD2-CG 2.83Å; D103-H106 PolarHBondContact OD2-N 2.94Å; D103-H106 IonicContact OD2-ND1 3.16Å; H106-F111 WeakPolarHBondContact O-CZ 3.43Å
107	G	82.3	Confident	91	Very high	5 Å²	5	41.2 Å²	41.2	5%	0.052	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-38.2	-178	0	0	0	0	0	115.1	D103 G109	D103-G107 CarbonylContact O-C 3.47Å; D103-G107 WeakPolarHBondContact O-CA 3.48Å; D103-G107 PolarHBondContact O-N 3.49Å; G107-G109 PolarHBondContact O-N 2.62Å
108	C	93.6	Very high	91	Very high	8 Å²	8	44 Å²	44	5%	0.054	25%	0.254	C	S	.	.	S	Bend	trans	-95.8	71.6	-171.6	-62	0	0	0	0	113.3	I94 C97 Q98 D103 A130	I94-C108 HydrophobicContact CG2-CB 4.27Å; C97-C108 HydrophobicContact CB-CB 3.77Å; C97-C108 WeakPolarHBondContact CB-SG 3.3Å; C97-C108 WeakPolarHBondContact SG-CA 3.29Å; C97-C108 WeakPolarHBondContact SG-CB 3.2Å; C97-C108 CovalentContact SG-SG 2.05Å; C97-C108 PolarHBondContact SG-SG 3.11Å; Q98-C108 HydrophobicContact CG-CB 4.28Å; D103-C108 PolarHBondContact O-N 2.94Å; C108-A130 HydrophobicContact CB-CB 4.5Å
109	G	94.9	Very high	90.9	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.01	25%	0.252	C	S	.	.	S	Bend	trans	-145	178.8	171.4	0	0	0	0	0	111.2	G107 F111 S128 A130	G107-G109 PolarHBondContact O-N 2.62Å; G109-F111 WeakPolarHBondContact O-CD2 3.29Å; G109-F111 PolarHBondContact O-N 3.35Å; G109-S128 PolarHBondContact O-OG 3.45Å; G109-A130 VanDerWaalsContact O-CA 3.29Å; G109-A130 WeakPolarHBondContact O-CA 3.36Å; G109-A130 PolarHBondContact O-N 3.09Å
110	N	96.5	Very high	90.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.253	C	S	.	.			trans	-88.9	103.6	173.6	-173.9	27	0	0	0	110.1	D68 W87 A89 G127 S128 G129	D68-N110 PolarHBondContact N-O 2.8Å; D68-N110 PolarHBondContact OD1-N 2Å; W87-N110 VanDerWaalsContact CD2-ND2 3.33Å; W87-N110 WeakPolarHBondContact O-CB 3.39Å; W87-N110 PolarHBondContact O-ND2 2.74Å; A89-N110 HydrophobicContact CB-CB 4.27Å; N110-G127 VanDerWaalsContact OD1-CA 3.22Å; N110-G127 WeakPolarHBondContact OD1-CA 3.21Å; N110-S128 PolarHBondContact OD1-N 3.37Å; N110-G129 PolarHBondContact OD1-N 3.23Å
111	F	96.6	Very high	90.7	Very high	9 Å²	9	45 Å²	45	4%	0.039	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-96.5	116.5	176.8	-66.5	-100.2	0	0	0	109.3	D49 K67 H106 G109 R113 G127 S128 P166	D49-F111 HydrophobicContact CB-CD1 4.19Å; D49-F111 HydrophobicContact CB-CE1 4.19Å; K67-F111 HydrophobicContact CB-CD1 4.05Å; K67-F111 HydrophobicContact CB-CE1 3.86Å; K67-F111 HydrophobicContact CB-CZ 4.38Å; K67-F111 HydrophobicContact CD-CE1 3.94Å; K67-F111 HydrophobicContact CD-CE2 4.45Å; K67-F111 HydrophobicContact CD-CZ 3.72Å; K67-F111 HydrophobicContact CG-CD1 4.23Å; K67-F111 HydrophobicContact CG-CE1 3.8Å; K67-F111 HydrophobicContact CG-CE2 4.25Å; K67-F111 HydrophobicContact CG-CZ 3.81Å; H106-F111 WeakPolarHBondContact O-CZ 3.43Å; G109-F111 WeakPolarHBondContact O-CD2 3.29Å; G109-F111 PolarHBondContact O-N 3.35Å; F111-R113 PolarHBondContact O-N 3.09Å; F111-G127 CarbonylContact O-C 3.51Å; F111-G127 WeakPolarHBondContact O-CA 3.36Å; F111-S128 PolarHBondContact N-OG 2.61Å; F111-S128 PolarHBondContact O-N 2.79Å; F111-P166 HydrophobicContact CB-CB 3.67Å; F111-P166 HydrophobicContact CD1-CB 4.15Å; F111-P166 HydrophobicContact CD2-CB 3.53Å; F111-P166 HydrophobicContact CD2-CG 3.84Å; F111-P166 HydrophobicContact CE2-CB 4.18Å; F111-P166 HydrophobicContact CE2-CG 4.08Å; F111-P166 HydrophobicContact CG-CB 3.5Å; F111-P166 HydrophobicContact CG-CG 4.29Å
112	V	97.4	Very high	90.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	130.3	178.4	-178.1	0	0	0	0	109.4	C66 V70 W87 V115	C66-V112 WeakPolarHBondContact O-CG2 3.22Å; V70-V112 HydrophobicContact CG2-CG2 3.9Å; W87-V112 HydrophobicContact CE3-CG2 4.28Å; W87-V112 HydrophobicContact CZ3-CG2 4.38Å; V112-V115 HydrophobicContact CG1-CG2 3.88Å
113	R	96.3	Very high	91.1	Very high	6 Å²	6	40.4 Å²	40.4	2%	0.023	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	-16.2	-175.1	-66.3	-66.4	177.4	-108.3	7.1	113.8	D49 R51 I52 F111 C126 P166	D49-R113 IonicContact OD2-CZ 2.95Å; D49-R113 IonicContact OD2-NH1 2.65Å; D49-R113 PolarHBondContact OD2-NH1 3.33Å; D49-R113 IonicContact OD2-NH2 3.93Å; D49-R113 PolarHBondContact OD2-NH2 3.17Å; R51-R113 VanDerWaalsContact CB-NH1 3.27Å; I52-R113 WeakPolarHBondContact CD1-O 3.24Å; F111-R113 PolarHBondContact O-N 3.09Å; R113-C126 PolarHBondContact N-O 3.07Å; R113-P166 VanDerWaalsContact CZ-O 3.25Å; R113-P166 PolarHBondContact NE-O 3.4Å; R113-P166 PolarHBondContact NH2-O 3.2Å
114	V	97.4	Very high	91.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126	176.7	177.2	0	0	0	0	108.2	Q116 F124 M125 C126 R161 C162 T170 L179	V114-Q116 HydrophobicContact CG1-CG 3.97Å; V114-F124 HydrophobicContact CG1-CD1 4.45Å; V114-M125 VanDerWaalsContact O-CA 3.23Å; V114-M125 WeakPolarHBondContact O-CA 3.43Å; V114-C126 HydrophobicContact CB-CB 3.89Å; V114-C126 HydrophobicContact CG2-CB 4.18Å; V114-C126 PolarHBondContact N-O 3.25Å; V114-C126 VanDerWaalsContact N-O 3.11Å; V114-C126 PolarHBondContact O-N 2.94Å; V114-R161 WeakPolarHBondContact CG2-O 3.34Å; V114-C162 HydrophobicContact CG2-CB 4.31Å; V114-T170 HydrophobicContact CG2-CG2 3.73Å; V114-L179 HydrophobicContact CG1-CD1 4.26Å
115	V	97.1	Very high	92.9	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.018	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	111.6	169.8	178.9	0	0	0	0	107.2	I52 H54 V112 M125	I52-V115 HydrophobicContact CB-CG2 4.36Å; I52-V115 HydrophobicContact CG2-CB 3.89Å; I52-V115 HydrophobicContact CG2-CG2 3.78Å; H54-V115 HydrophobicContact CB-CB 4.16Å; H54-V115 HydrophobicContact CB-CG1 3.73Å; H54-V115 PolarHBondContact ND1-O 3.02Å; V112-V115 HydrophobicContact CG1-CG2 3.88Å; V115-M125 HydrophobicContact CB-SD 4.49Å; V115-M125 HydrophobicContact CG1-CE 3.79Å; V115-M125 HydrophobicContact CG1-CG 4.35Å; V115-M125 HydrophobicContact CG1-SD 4.16Å; V115-M125 HydrophobicContact CG2-CE 4.5Å; V115-M125 HydrophobicContact CG2-CG 4.27Å; V115-M125 HydrophobicContact CG2-SD 3.85Å
116	Q	96.9	Very high	94.1	Very high	23 Å²	23	29.2 Å²	29.2	11%	0.107	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.1	-177.1	-66	-62.8	-25.7	0	0	111.6	V114 Y118 L123 F124 S172 M174 L179	V114-Q116 HydrophobicContact CG1-CG 3.97Å; Q116-Y118 PolarHBondContact O-N 3.36Å; Q116-L123 CarbonylContact O-C 3.56Å; Q116-L123 WeakPolarHBondContact O-CA 3.01Å; Q116-F124 PolarHBondContact N-O 2.99Å; Q116-F124 PolarHBondContact O-N 3.36Å; Q116-S172 PolarHBondContact NE2-O 2.87Å; Q116-S172 PolarHBondContact NE2-OG 2.9Å; Q116-M174 HydrophobicContact CB-CB 3.84Å; Q116-M174 HydrophobicContact CB-CE 3.89Å; Q116-M174 HydrophobicContact CG-CB 4.25Å; Q116-L179 HydrophobicContact CG-CD1 3.9Å
117	P	95.5	Very high	95.2	Very high	47 Å²	47	24 Å²	24	31%	0.305	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	120.6	171.7	29.7	-31.8	0	0	0	109.1	L123 M174	P117-L123 HydrophobicContact CB-CD2 4.37Å; P117-M174 WeakPolarHBondContact O-CG 3.05Å
118	Y	95.1	Very high	95.8	Very high	60 Å²	60	23.7 Å²	23.7	24%	0.235	11%	0.11	C	C	.	.			trans	-88.4	-44.4	176.8	-177.8	-107.9	0	0	0	111	Q116 H122 F124 Y137 M174 Q177	Q116-Y118 PolarHBondContact O-N 3.36Å; Y118-H122 WeakPolarHBondContact CB-O 3.2Å; Y118-H122 HydrophobicContact CD1-CB 4.46Å; Y118-H122 PolarHBondContact N-O 3.43Å; Y118-F124 HydrophobicContact CD2-CB 4.49Å; Y118-Y137 AromaticContact CD1-CD1 3.98Å; Y118-Y137 HydrophobicContact CD1-CD1 3.98Å; Y118-Y137 AromaticContact CD1-CE1 3.71Å; Y118-Y137 HydrophobicContact CD1-CE1 3.71Å; Y118-Y137 HydrophobicContact CD2-CD1 4.47Å; Y118-Y137 AromaticContact CD2-CE1 3.64Å; Y118-Y137 HydrophobicContact CD2-CE1 3.64Å; Y118-Y137 HydrophobicContact CE1-CD1 4.38Å; Y118-Y137 AromaticContact CE1-CE1 3.81Å; Y118-Y137 HydrophobicContact CE1-CE1 3.81Å; Y118-Y137 AromaticContact CE2-CE1 3.71Å; Y118-Y137 HydrophobicContact CE2-CE1 3.71Å; Y118-Y137 HydrophobicContact CG-CD1 4.03Å; Y118-Y137 AromaticContact CG-CE1 3.63Å; Y118-Y137 HydrophobicContact CG-CE1 3.63Å; Y118-Y137 AromaticContact CZ-CE1 3.8Å; Y118-M174 HydrophobicContact CD2-CE 4.31Å; Y118-M174 HydrophobicContact CD2-SD 4.46Å; Y118-Q177 HydrophobicContact CD2-CB 4.2Å; Y118-Q177 HydrophobicContact CD2-CG 4.07Å; Y118-Q177 HydrophobicContact CE1-CG 4.34Å; Y118-Q177 HydrophobicContact CE2-CB 3.58Å; Y118-Q177 HydrophobicContact CE2-CG 3.67Å; Y118-Q177 PolarHBondContact OH-OE1 2.82Å; Y118-Q177 VanDerWaalsContact OH-OE1 3.04Å
119	N	93	Very high	96	Very high	63 Å²	63	23.5 Å²	23.5	34%	0.337	11%	0.109	S	C	.	.	S	Bend	trans	-151.2	-168.2	171.6	65.3	39	0	0	0	108.8	T121 H122	N119-T121 VanDerWaalsContact C-N 3.3Å; N119-T121 PolarHBondContact O-N 3Å; N119-T121 PolarHBondContact OD1-N 3.43Å; N119-T121 PolarHBondContact OD1-OG1 3.23Å; N119-H122 PolarHBondContact N-O 3.32Å; N119-H122 WeakPolarHBondContact OD1-CB 2.99Å; N119-H122 PolarHBondContact OD1-N 2.97Å; N119-H122 PolarHBondContact OD1-ND1 3.48Å
120	R	90.1	Very high	96	Very high	201 Å²	201	23.6 Å²	23.6	76%	0.758	11%	0.11	S	C	*	.	S	Bend	trans	-61.3	-36.7	-178.7	-71.7	-173.1	169.8	122	-1.5	113.3	R140	R120-R140 PolarHBondContact O-NE 3.05Å; R120-R140 VanDerWaalsContact O-NE 3.1Å; R120-R140 PolarHBondContact O-NH2 3.3Å
121	T	93.1	Very high	96	Very high	43 Å²	43	24.7 Å²	24.7	26%	0.264	11%	0.114	S	C	.	.	S	Bend	trans	-104	-14.3	-173.1	55	0	0	0	0	114.3	N119 N139 R140 G141 R142	N119-T121 VanDerWaalsContact C-N 3.3Å; N119-T121 PolarHBondContact O-N 3Å; N119-T121 PolarHBondContact OD1-N 3.43Å; N119-T121 PolarHBondContact OD1-OG1 3.23Å; T121-N139 PolarHBondContact O-OD1 3.49Å; T121-R140 WeakPolarHBondContact O-CG 3.33Å; T121-R140 PolarHBondContact O-N 3.35Å; T121-G141 WeakPolarHBondContact CA-O 3.46Å; T121-R142 HydrophobicContact CG2-CB 4.1Å
122	H	95.4	Very high	95.9	Very high	34 Å²	34	26 Å²	26	16%	0.157	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139	-174.6	-67.5	71.8	0	0	0	112.3	Y118 N119 I138 D152	Y118-H122 WeakPolarHBondContact CB-O 3.2Å; Y118-H122 HydrophobicContact CD1-CB 4.46Å; Y118-H122 PolarHBondContact N-O 3.43Å; N119-H122 PolarHBondContact N-O 3.32Å; N119-H122 WeakPolarHBondContact OD1-CB 2.99Å; N119-H122 PolarHBondContact OD1-N 2.97Å; N119-H122 PolarHBondContact OD1-ND1 3.48Å; H122-I138 WeakPolarHBondContact CA-O 3.41Å; H122-D152 IonicContact NE2-OD2 2.95Å; H122-D152 PolarHBondContact NE2-OD2 3.44Å
123	L	97	Very high	95.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	138.9	166.6	-64.5	170.5	0	0	0	108.9	Y63 Q116 P117 M125 Y137 I138 R140 F149	Y63-L123 HydrophobicContact CD1-CD1 3.51Å; Y63-L123 HydrophobicContact CD2-CD1 3.76Å; Y63-L123 HydrophobicContact CD2-CD2 4.39Å; Y63-L123 HydrophobicContact CE1-CD1 3.51Å; Y63-L123 HydrophobicContact CE2-CD1 3.76Å; Y63-L123 HydrophobicContact CE2-CD2 4.28Å; Y63-L123 HydrophobicContact CG-CD1 3.63Å; Q116-L123 CarbonylContact O-C 3.56Å; Q116-L123 WeakPolarHBondContact O-CA 3.01Å; P117-L123 HydrophobicContact CB-CD2 4.37Å; L123-M125 HydrophobicContact CB-CE 3.73Å; L123-M125 HydrophobicContact CB-CG 4.3Å; L123-M125 HydrophobicContact CD1-CE 3.31Å; L123-M125 HydrophobicContact CG-CE 4.12Å; L123-Y137 CarbonylContact O-C 3.51Å; L123-Y137 WeakPolarHBondContact O-CA 2.9Å; L123-I138 HydrophobicContact CB-CB 4.45Å; L123-I138 PolarHBondContact N-O 2.96Å; L123-I138 PolarHBondContact O-N 2.98Å; L123-R140 HydrophobicContact CD1-CB 4.38Å; L123-R140 HydrophobicContact CG-CG 4.32Å; L123-F149 HydrophobicContact CD1-CE2 4.44Å
124	F	97.7	Very high	95.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.6	166.1	-178.2	-100	0	0	0	108.8	V114 Q116 Y118 C126 C135 Y137 M174 L179 L198	V114-F124 HydrophobicContact CG1-CD1 4.45Å; Q116-F124 PolarHBondContact N-O 2.99Å; Q116-F124 PolarHBondContact O-N 3.36Å; Y118-F124 HydrophobicContact CD2-CB 4.49Å; F124-C126 WeakPolarHBondContact CE1-SG 3.44Å; F124-C126 VanDerWaalsContact CZ-SG 3.5Å; F124-C135 HydrophobicContact CE1-CB 4.37Å; F124-C135 HydrophobicContact CE2-CB 3.86Å; F124-C135 HydrophobicContact CZ-CB 3.53Å; F124-Y137 HydrophobicContact CB-CD1 4.49Å; F124-Y137 HydrophobicContact CB-CE1 4.37Å; F124-Y137 HydrophobicContact CD2-CD1 4.07Å; F124-Y137 AromaticContact CD2-CE1 3.62Å; F124-Y137 HydrophobicContact CD2-CE1 3.62Å; F124-Y137 HydrophobicContact CD2-CE2 4.18Å; F124-Y137 AromaticContact CD2-CZ 3.69Å; F124-Y137 HydrophobicContact CE2-CE1 4.44Å; F124-Y137 HydrophobicContact CE2-CE2 4.32Å; F124-Y137 HydrophobicContact CG-CE1 4.44Å; F124-M174 HydrophobicContact CB-CE 3.64Å; F124-M174 HydrophobicContact CD1-CE 3.74Å; F124-M174 HydrophobicContact CG-CE 3.87Å; F124-L179 HydrophobicContact CD1-CD2 4.42Å; F124-L179 HydrophobicContact CE1-CD2 3.85Å; F124-L198 HydrophobicContact CD1-CD1 3.74Å; F124-L198 HydrophobicContact CD2-CD1 3.97Å; F124-L198 HydrophobicContact CE1-CD1 3.5Å; F124-L198 VanDerWaalsContact CE1-CD1 3.5Å; F124-L198 HydrophobicContact CE1-CG 4.48Å; F124-L198 HydrophobicContact CE2-CD1 3.72Å; F124-L198 HydrophobicContact CE2-CD2 4.05Å; F124-L198 HydrophobicContact CE2-CG 4.49Å; F124-L198 HydrophobicContact CG-CD1 3.97Å; F124-L198 HydrophobicContact CZ-CD1 3.47Å; F124-L198 VanDerWaalsContact CZ-CD1 3.47Å; F124-L198 HydrophobicContact CZ-CD2 4Å; F124-L198 HydrophobicContact CZ-CG 4.16Å
125	M	97.9	Very high	95.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.9	-178.1	-59.1	-158.1	-165.5	0	0	112.1	V70 W87 V114 V115 L123 C135 V136 I138 F149	V70-M125 HydrophobicContact CB-SD 4.35Å; V70-M125 HydrophobicContact CG1-CE 3.7Å; V70-M125 HydrophobicContact CG1-SD 3.44Å; V70-M125 WeakPolarHBondContact CG1-SD 3.43Å; V70-M125 HydrophobicContact CG2-SD 3.96Å; W87-M125 HydrophobicContact CZ3-CB 4.27Å; V114-M125 VanDerWaalsContact O-CA 3.23Å; V114-M125 WeakPolarHBondContact O-CA 3.43Å; V115-M125 HydrophobicContact CB-SD 4.49Å; V115-M125 HydrophobicContact CG1-CE 3.79Å; V115-M125 HydrophobicContact CG1-CG 4.35Å; V115-M125 HydrophobicContact CG1-SD 4.16Å; V115-M125 HydrophobicContact CG2-CE 4.5Å; V115-M125 HydrophobicContact CG2-CG 4.27Å; V115-M125 HydrophobicContact CG2-SD 3.85Å; L123-M125 HydrophobicContact CB-CE 3.73Å; L123-M125 HydrophobicContact CB-CG 4.3Å; L123-M125 HydrophobicContact CD1-CE 3.31Å; L123-M125 HydrophobicContact CG-CE 4.12Å; M125-C135 CarbonylContact O-C 3.51Å; M125-C135 WeakPolarHBondContact O-CA 3.42Å; M125-C135 WeakPolarHBondContact O-CB 3.26Å; M125-V136 PolarHBondContact N-O 2.93Å; M125-V136 PolarHBondContact O-N 3.29Å; M125-I138 HydrophobicContact CB-CD1 4.35Å; M125-I138 HydrophobicContact CE-CD1 3.8Å; M125-I138 HydrophobicContact CG-CD1 4.01Å; M125-I138 HydrophobicContact SD-CD1 3.49Å; M125-I138 WeakPolarHBondContact SD-CD1 3.44Å; M125-F149 HydrophobicContact CE-CE2 4.5Å; M125-F149 HydrophobicContact CE-CZ 4.43Å
126	C	97.8	Very high	96	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.6	173.8	-51.8	0	0	0	0	111.6	R113 V114 F124 V134 C135 C162	R113-C126 PolarHBondContact N-O 3.07Å; V114-C126 HydrophobicContact CB-CB 3.89Å; V114-C126 HydrophobicContact CG2-CB 4.18Å; V114-C126 PolarHBondContact N-O 3.25Å; V114-C126 VanDerWaalsContact N-O 3.11Å; V114-C126 PolarHBondContact O-N 2.94Å; F124-C126 WeakPolarHBondContact CE1-SG 3.44Å; F124-C126 VanDerWaalsContact CZ-SG 3.5Å; C126-V134 CarbonylContact C-O 3.39Å; C126-V134 WeakPolarHBondContact CA-O 3.34Å; C126-V134 WeakPolarHBondContact CB-O 3.36Å; C126-C135 HydrophobicContact CB-CB 4.07Å; C126-C135 WeakPolarHBondContact CB-SG 3.26Å; C126-C135 WeakPolarHBondContact SG-CB 3.33Å; C126-C135 CovalentContact SG-SG 2.04Å; C126-C135 PolarHBondContact SG-SG 3.29Å; C126-C162 HydrophobicContact CB-CB 3.56Å
127	G	97.3	Very high	96	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	169	171.9	0	0	0	0	0	112.6	N110 F111 G129 P133 V134 C162	N110-G127 VanDerWaalsContact OD1-CA 3.22Å; N110-G127 WeakPolarHBondContact OD1-CA 3.21Å; F111-G127 CarbonylContact O-C 3.51Å; F111-G127 WeakPolarHBondContact O-CA 3.36Å; G127-G129 PolarHBondContact O-N 2.78Å; G127-P133 VanDerWaalsContact O-CA 3.26Å; G127-P133 WeakPolarHBondContact O-CA 3.38Å; G127-V134 PolarHBondContact N-O 2.82Å; G127-V134 PolarHBondContact O-N 3.11Å; G127-C162 VanDerWaalsContact C-SG 3.6Å
128	S	96	Very high	96.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.12	C	C	.	.			trans	-69.1	-16.6	-175.6	65.2	0	0	0	0	113.9	G109 N110 F111 A130 Y131 S132	G109-S128 PolarHBondContact O-OG 3.45Å; N110-S128 PolarHBondContact OD1-N 3.37Å; F111-S128 PolarHBondContact N-OG 2.61Å; F111-S128 PolarHBondContact O-N 2.79Å; S128-A130 VanDerWaalsContact C-N 3.27Å; S128-A130 PolarHBondContact O-N 2.88Å; S128-A130 VanDerWaalsContact O-N 3.15Å; S128-Y131 CarbonylContact O-C 3.6Å; S128-Y131 WeakPolarHBondContact O-CA 3.15Å; S128-Y131 PolarHBondContact O-N 2.83Å; S128-S132 CarbonylContact O-C 3.51Å; S128-S132 VanDerWaalsContact O-C 3.24Å; S128-S132 PolarHBondContact O-N 3.35Å
129	G	96.1	Very high	96.1	Very high	3 Å²	3	24.1 Å²	24.1	3%	0.031	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	39	175	0	0	0	0	0	114.8	N110 G127 S132	N110-G129 PolarHBondContact OD1-N 3.23Å; G127-G129 PolarHBondContact O-N 2.78Å; G129-S132 WeakPolarHBondContact CA-O 3.32Å; G129-S132 WeakPolarHBondContact O-CB 3.41Å; G129-S132 PolarHBondContact O-N 3.1Å
130	A	96.2	Very high	96.2	Very high	3 Å²	3	22.1 Å²	22.1	3%	0.025	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	57.2	-171.4	0	0	0	0	0	113	A89 I94 C97 C108 G109 S128 S132	A89-A130 HydrophobicContact CB-CB 3.66Å; I94-A130 HydrophobicContact CG1-CB 4.19Å; C97-A130 HydrophobicContact CB-CB 4.14Å; C97-A130 WeakPolarHBondContact CB-O 3.48Å; C108-A130 HydrophobicContact CB-CB 4.5Å; G109-A130 VanDerWaalsContact O-CA 3.29Å; G109-A130 WeakPolarHBondContact O-CA 3.36Å; G109-A130 PolarHBondContact O-N 3.09Å; S128-A130 VanDerWaalsContact C-N 3.27Å; S128-A130 PolarHBondContact O-N 2.88Å; S128-A130 VanDerWaalsContact O-N 3.15Å; A130-S132 PolarHBondContact O-N 3.25Å
131	Y	95.2	Very high	96.2	Very high	24 Å²	24	12.7 Å²	12.7	9%	0.094	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	30.2	-173.8	-67.7	-108.2	0	0	0	113.3	C97 K102 S128 F164 N165 P166 F187	C97-Y131 VanDerWaalsContact SG-CD2 3.59Å; K102-Y131 HydrophobicContact CB-CD2 4.47Å; K102-Y131 HydrophobicContact CB-CE2 4.06Å; K102-Y131 HydrophobicContact CD-CD1 4.38Å; K102-Y131 HydrophobicContact CD-CE1 3.81Å; K102-Y131 HydrophobicContact CD-CE2 4.12Å; K102-Y131 VanDerWaalsContact CE-CE1 3.41Å; K102-Y131 HydrophobicContact CG-CD1 4.42Å; K102-Y131 HydrophobicContact CG-CD2 4.07Å; K102-Y131 HydrophobicContact CG-CE1 4.22Å; K102-Y131 HydrophobicContact CG-CE2 3.85Å; K102-Y131 HydrophobicContact CG-CG 4.35Å; S128-Y131 CarbonylContact O-C 3.6Å; S128-Y131 WeakPolarHBondContact O-CA 3.15Å; S128-Y131 PolarHBondContact O-N 2.83Å; Y131-F164 WeakPolarHBondContact CA-O 3.42Å; Y131-F164 HydrophobicContact CD1-CB 4.43Å; Y131-F164 WeakPolarHBondContact O-CD1 3.47Å; Y131-N165 HydrophobicContact CE1-CB 3.84Å; Y131-N165 PolarHBondContact OH-OD1 2.96Å; Y131-P166 HydrophobicContact CE2-CG 4.39Å; Y131-F187 HydrophobicContact CD1-CD2 4.28Å; Y131-F187 AromaticContact CD1-CE2 3.97Å; Y131-F187 HydrophobicContact CD1-CE2 3.97Å; Y131-F187 HydrophobicContact CD1-CZ 4.38Å; Y131-F187 HydrophobicContact CG-CE2 4.1Å
132	S	96.2	Very high	96	Very high	37 Å²	37	18.7 Å²	18.7	26%	0.259	9%	0.087	S	C	.	.	S	Bend	trans	-142.2	80.1	170.1	175.8	0	0	0	0	107.8	S128 G129 A130 V134	S128-S132 CarbonylContact O-C 3.51Å; S128-S132 VanDerWaalsContact O-C 3.24Å; S128-S132 PolarHBondContact O-N 3.35Å; G129-S132 WeakPolarHBondContact CA-O 3.32Å; G129-S132 WeakPolarHBondContact O-CB 3.41Å; G129-S132 PolarHBondContact O-N 3.1Å; A130-S132 PolarHBondContact O-N 3.25Å; S132-V134 PolarHBondContact O-N 3.2Å
133	P	96.4	Very high	95.5	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.032	11%	0.108	C	C	.	.			trans	-54.2	138.6	-169.2	-28.8	35.9	0	0	0	113.5	G127 G158 C162 F164	G127-P133 VanDerWaalsContact O-CA 3.26Å; G127-P133 WeakPolarHBondContact O-CA 3.38Å; P133-G158 WeakPolarHBondContact O-CA 3.29Å; P133-G158 PolarHBondContact O-N 3.47Å; P133-C162 HydrophobicContact CB-CB 4.16Å; P133-C162 WeakPolarHBondContact CG-O 3.28Å; P133-F164 HydrophobicContact CG-CB 4.33Å; P133-F164 HydrophobicContact CG-CD1 4.07Å; P133-F164 HydrophobicContact CG-CD2 3.71Å; P133-F164 HydrophobicContact CG-CE1 4.25Å; P133-F164 HydrophobicContact CG-CE2 3.88Å; P133-F164 HydrophobicContact CG-CG 3.78Å; P133-F164 HydrophobicContact CG-CZ 4.16Å
134	V	97.2	Very high	94.6	Very high	31 Å²	31	26.3 Å²	26.3	19%	0.188	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	149.1	-179.1	-71.8	0	0	0	0	110.6	W87 C126 G127 S132 E156	W87-V134 HydrophobicContact CH2-CG2 4.44Å; W87-V134 HydrophobicContact CZ2-CB 4.34Å; W87-V134 HydrophobicContact CZ2-CG2 3.7Å; C126-V134 CarbonylContact C-O 3.39Å; C126-V134 WeakPolarHBondContact CA-O 3.34Å; C126-V134 WeakPolarHBondContact CB-O 3.36Å; G127-V134 PolarHBondContact N-O 2.82Å; G127-V134 PolarHBondContact O-N 3.11Å; S132-V134 PolarHBondContact O-N 3.2Å; V134-E156 CarbonylContact C-O 3.54Å; V134-E156 WeakPolarHBondContact CA-O 3.5Å
135	C	97.8	Very high	93.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.007	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	152.2	178.2	-57.5	0	0	0	0	111.8	F124 M125 C126 E156 G158	F124-C135 HydrophobicContact CE1-CB 4.37Å; F124-C135 HydrophobicContact CE2-CB 3.86Å; F124-C135 HydrophobicContact CZ-CB 3.53Å; M125-C135 CarbonylContact O-C 3.51Å; M125-C135 WeakPolarHBondContact O-CA 3.42Å; M125-C135 WeakPolarHBondContact O-CB 3.26Å; C126-C135 HydrophobicContact CB-CB 4.07Å; C126-C135 WeakPolarHBondContact CB-SG 3.26Å; C126-C135 WeakPolarHBondContact SG-CB 3.33Å; C126-C135 CovalentContact SG-SG 2.04Å; C126-C135 PolarHBondContact SG-SG 3.29Å; C135-E156 PolarHBondContact N-O 3Å; C135-E156 PolarHBondContact O-N 3.45Å; C135-G158 WeakPolarHBondContact SG-CA 3.29Å
136	V	97.6	Very high	93.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	158.5	177.7	-66	0	0	0	0	110.9	W87 M125 I138 V151 M155	W87-V136 HydrophobicContact CD2-CG2 4.36Å; W87-V136 HydrophobicContact CE3-CG2 4.28Å; W87-V136 HydrophobicContact CH2-CG1 4.41Å; W87-V136 HydrophobicContact CH2-CG2 3.63Å; W87-V136 HydrophobicContact CZ2-CB 4.28Å; W87-V136 HydrophobicContact CZ2-CG1 3.72Å; W87-V136 HydrophobicContact CZ2-CG2 3.71Å; W87-V136 HydrophobicContact CZ3-CG2 3.93Å; M125-V136 PolarHBondContact N-O 2.93Å; M125-V136 PolarHBondContact O-N 3.29Å; V136-I138 HydrophobicContact CG2-CD1 4.38Å; V136-I138 HydrophobicContact CG2-CG1 4.01Å; V136-V151 HydrophobicContact CB-CG1 3.97Å; V136-V151 HydrophobicContact CG1-CG1 3.98Å; V136-V151 HydrophobicContact CG2-CG2 4.34Å; V136-M155 HydrophobicContact CG1-CB 4.47Å; V136-M155 HydrophobicContact CG1-CG 3.91Å
137	Y	97.5	Very high	92.6	Very high	32 Å²	32	43.7 Å²	43.7	13%	0.125	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.2	163.7	-62.7	-92.1	0	0	0	109.4	Y118 L123 F124 D152 S153	Y118-Y137 AromaticContact CD1-CD1 3.98Å; Y118-Y137 HydrophobicContact CD1-CD1 3.98Å; Y118-Y137 AromaticContact CD1-CE1 3.71Å; Y118-Y137 HydrophobicContact CD1-CE1 3.71Å; Y118-Y137 HydrophobicContact CD2-CD1 4.47Å; Y118-Y137 AromaticContact CD2-CE1 3.64Å; Y118-Y137 HydrophobicContact CD2-CE1 3.64Å; Y118-Y137 HydrophobicContact CE1-CD1 4.38Å; Y118-Y137 AromaticContact CE1-CE1 3.81Å; Y118-Y137 HydrophobicContact CE1-CE1 3.81Å; Y118-Y137 AromaticContact CE2-CE1 3.71Å; Y118-Y137 HydrophobicContact CE2-CE1 3.71Å; Y118-Y137 HydrophobicContact CG-CD1 4.03Å; Y118-Y137 AromaticContact CG-CE1 3.63Å; Y118-Y137 HydrophobicContact CG-CE1 3.63Å; Y118-Y137 AromaticContact CZ-CE1 3.8Å; L123-Y137 CarbonylContact O-C 3.51Å; L123-Y137 WeakPolarHBondContact O-CA 2.9Å; F124-Y137 HydrophobicContact CB-CD1 4.49Å; F124-Y137 HydrophobicContact CB-CE1 4.37Å; F124-Y137 HydrophobicContact CD2-CD1 4.07Å; F124-Y137 AromaticContact CD2-CE1 3.62Å; F124-Y137 HydrophobicContact CD2-CE1 3.62Å; F124-Y137 HydrophobicContact CD2-CE2 4.18Å; F124-Y137 AromaticContact CD2-CZ 3.69Å; F124-Y137 HydrophobicContact CE2-CE1 4.44Å; F124-Y137 HydrophobicContact CE2-CE2 4.32Å; F124-Y137 HydrophobicContact CG-CE1 4.44Å; Y137-D152 PolarHBondContact O-N 3.5Å; Y137-S153 PolarHBondContact N-OG 3.34Å
138	I	97.1	Very high	92.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.4	177.1	-62.3	-179.4	0	0	0	108.3	V70 L85 H122 L123 M125 V136 R140 F149 H150 V151	V70-I138 HydrophobicContact CG1-CD1 4.45Å; V70-I138 HydrophobicContact CG2-CD1 4.27Å; L85-I138 HydrophobicContact CD2-CD1 3.48Å; L85-I138 VanDerWaalsContact CD2-CD1 3.48Å; L85-I138 HydrophobicContact CD2-CG1 4.12Å; H122-I138 WeakPolarHBondContact CA-O 3.41Å; L123-I138 HydrophobicContact CB-CB 4.45Å; L123-I138 PolarHBondContact N-O 2.96Å; L123-I138 PolarHBondContact O-N 2.98Å; M125-I138 HydrophobicContact CB-CD1 4.35Å; M125-I138 HydrophobicContact CE-CD1 3.8Å; M125-I138 HydrophobicContact CG-CD1 4.01Å; M125-I138 HydrophobicContact SD-CD1 3.49Å; M125-I138 WeakPolarHBondContact SD-CD1 3.44Å; V136-I138 HydrophobicContact CG2-CD1 4.38Å; V136-I138 HydrophobicContact CG2-CG1 4.01Å; I138-R140 PolarHBondContact O-N 3.29Å; I138-F149 HydrophobicContact CG2-CD2 3.73Å; I138-F149 HydrophobicContact CG2-CE2 3.58Å; I138-F149 HydrophobicContact CG2-CG 4.41Å; I138-F149 HydrophobicContact CG2-CZ 4.15Å; I138-H150 WeakPolarHBondContact CA-O 3.42Å; I138-V151 HydrophobicContact CG1-CG2 4.49Å
139	N	95.9	Very high	92.2	Very high	30 Å²	30	46.7 Å²	46.7	16%	0.16	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	121.4	172.6	-170.7	-22.7	0	0	0	108.7	T121 G141 V148 F149 H150 D152	T121-N139 PolarHBondContact O-OD1 3.49Å; N139-G141 PolarHBondContact OD1-N 3.1Å; N139-V148 HydrophobicContact CB-CG1 4.31Å; N139-F149 VanDerWaalsContact O-CA 3.27Å; N139-F149 WeakPolarHBondContact O-CA 3.45Å; N139-H150 PolarHBondContact N-O 3.05Å; N139-H150 PolarHBondContact O-N 2.98Å; N139-D152 HydrophobicContact CB-CB 3.84Å; N139-D152 PolarHBondContact ND2-OD2 3.07Å; N139-D152 VanDerWaalsContact ND2-OD2 3.15Å
140	R	93.8	Very high	92.2	Very high	20 Å²	20	50.8 Å²	50.8	8%	0.075	24%	0.235	C	C	.	.			trans	-108.1	8	-178.7	61.3	160.4	177.1	-165.8	16.8	113.5	D56 Y63 R120 T121 L123 I138 V148	D56-R140 IonicContact OD2-CZ 2.74Å; D56-R140 IonicContact OD2-NH1 3.77Å; D56-R140 PolarHBondContact OD2-NH1 3.44Å; D56-R140 IonicContact OD2-NH2 3.92Å; D56-R140 PolarHBondContact OD2-NH2 3.01Å; Y63-R140 HydrophobicContact CE1-CB 4.49Å; Y63-R140 WeakPolarHBondContact OH-CD 3.36Å; R120-R140 PolarHBondContact O-NE 3.05Å; R120-R140 VanDerWaalsContact O-NE 3.1Å; R120-R140 PolarHBondContact O-NH2 3.3Å; T121-R140 WeakPolarHBondContact O-CG 3.33Å; T121-R140 PolarHBondContact O-N 3.35Å; L123-R140 HydrophobicContact CD1-CB 4.38Å; L123-R140 HydrophobicContact CG-CG 4.32Å; I138-R140 PolarHBondContact O-N 3.29Å; R140-V148 CarbonylContact C-O 3.57Å; R140-V148 VanDerWaalsContact CA-O 3.25Å; R140-V148 WeakPolarHBondContact CA-O 3.11Å
141	G	91.1	Very high	92.2	Very high	3 Å²	3	53 Å²	53	3%	0.031	25%	0.248	C	C	.	.			trans	69.8	176.5	-171.4	0	0	0	0	0	112.6	T121 N139 E146	T121-G141 WeakPolarHBondContact CA-O 3.46Å; N139-G141 PolarHBondContact OD1-N 3.1Å; G141-E146 WeakPolarHBondContact CA-OE2 3.44Å
142	R	88.1	Confident	92	Very high	169 Å²	169	55.9 Å²	55.9	64%	0.638	27%	0.265	S	S	*	.	S	Bend	trans	-91.2	-29.6	176.1	-172.3	173.5	-179.4	174.6	0.6	112	Q59 T121 E146	Q59-R142 PolarHBondContact NE2-O 2.93Å; Q59-R142 PolarHBondContact OE1-O 3.34Å; T121-R142 HydrophobicContact CG2-CB 4.1Å; R142-E146 PolarHBondContact N-OE2 3.24Å
143	R	85.2	Confident	91.9	Very high	160 Å²	160	56 Å²	56	60%	0.604	27%	0.265	S	S	*	.	S	Bend	trans	-130.5	153.8	-179.9	-51.6	-177.7	177.2	156.3	0.1	111.4	E145 E146	R143-E145 WeakPolarHBondContact CB-OE2 3.39Å; R143-E145 PolarHBondContact O-N 2.89Å; R143-E146 PolarHBondContact O-N 3.34Å
144	P	78.3	Confident	91.7	Very high	34 Å²	34	64.2 Å²	64.2	22%	0.221	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-67.2	-24.4	-174.3	-20.7	36.1	0	0	0	113.7	Q59 R61 E146	Q59-P144 HydrophobicContact CB-CG 4.48Å; Q59-P144 WeakPolarHBondContact O-CG 3.21Å; R61-P144 PolarHBondContact NH2-O 2.96Å; P144-E146 VanDerWaalsContact C-N 3.31Å
145	E	82.5	Confident	91.5	Very high	145 Å²	145	68.5 Å²	68.5	68%	0.678	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-74.4	-20.2	-178.3	-53	79.8	-171.8	0	0	113	R143 Q147	R143-E145 WeakPolarHBondContact CB-OE2 3.39Å; R143-E145 PolarHBondContact O-N 2.89Å; E145-Q147 PolarHBondContact O-N 3.22Å
146	E	83.3	Confident	91.3	Very high	99 Å²	99	71.8 Å²	71.8	46%	0.463	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-69.4	-18.1	179.8	-65.1	172.6	-173.1	0	0	112.1	G141 R142 R143 P144 V148	G141-E146 WeakPolarHBondContact CA-OE2 3.44Å; R142-E146 PolarHBondContact N-OE2 3.24Å; R143-E146 PolarHBondContact O-N 3.34Å; P144-E146 VanDerWaalsContact C-N 3.31Å; E146-V148 HydrophobicContact CB-CG2 4Å; E146-V148 PolarHBondContact O-N 2.94Å
147	Q	85.8	Confident	91.2	Very high	121 Å²	121	75.7 Å²	75.7	57%	0.565	37%	0.365	S	S	*	.			trans	51	28.9	-179.4	-59.8	-169.7	-11	0	0	114.3	L83 E145	L83-Q147 HydrophobicContact CD1-CB 4.28Å; L83-Q147 HydrophobicContact CD2-CB 4.37Å; E145-Q147 PolarHBondContact O-N 3.22Å
148	V	90.8	Very high	91	Very high	42 Å²	42	74.2 Å²	74.2	26%	0.255	36%	0.359	S	S	.	.			trans	-80.6	122.5	177.3	178.2	0	0	0	0	109.2	N139 R140 E146	N139-V148 HydrophobicContact CB-CG1 4.31Å; R140-V148 CarbonylContact C-O 3.57Å; R140-V148 VanDerWaalsContact CA-O 3.25Å; R140-V148 WeakPolarHBondContact CA-O 3.11Å; E146-V148 HydrophobicContact CB-CG2 4Å; E146-V148 PolarHBondContact O-N 2.94Å
149	F	95.3	Very high	90.8	Very high	22 Å²	22	80.7 Å²	80.7	10%	0.096	39%	0.388	C	S	.	.			trans	-157.1	86.4	174.8	-163	-116.6	0	0	0	111.6	Y63 V70 L83 L85 L123 M125 I138 N139	Y63-F149 AromaticContact CD1-CE2 3.87Å; Y63-F149 HydrophobicContact CD1-CE2 3.87Å; Y63-F149 HydrophobicContact CD1-CZ 4.28Å; Y63-F149 HydrophobicContact CE1-CD2 4.48Å; Y63-F149 AromaticContact CE1-CE2 3.92Å; Y63-F149 HydrophobicContact CE1-CE2 3.92Å; V70-F149 HydrophobicContact CB-CE1 4.3Å; V70-F149 HydrophobicContact CB-CZ 4.24Å; V70-F149 HydrophobicContact CG1-CE1 4.15Å; V70-F149 HydrophobicContact CG1-CZ 3.64Å; L83-F149 HydrophobicContact CB-CB 3.95Å; L83-F149 HydrophobicContact CB-CD1 4.02Å; L83-F149 HydrophobicContact CB-CG 4.23Å; L83-F149 HydrophobicContact CD1-CB 3.62Å; L83-F149 HydrophobicContact CD1-CG 4.46Å; L83-F149 HydrophobicContact CG-CB 4.43Å; L85-F149 HydrophobicContact CB-CD1 4.05Å; L85-F149 HydrophobicContact CB-CE1 3.79Å; L123-F149 HydrophobicContact CD1-CE2 4.44Å; M125-F149 HydrophobicContact CE-CE2 4.5Å; M125-F149 HydrophobicContact CE-CZ 4.43Å; I138-F149 HydrophobicContact CG2-CD2 3.73Å; I138-F149 HydrophobicContact CG2-CE2 3.58Å; I138-F149 HydrophobicContact CG2-CG 4.41Å; I138-F149 HydrophobicContact CG2-CZ 4.15Å; N139-F149 VanDerWaalsContact O-CA 3.27Å; N139-F149 WeakPolarHBondContact O-CA 3.45Å
150	H	94.8	Very high	90.5	Very high	89 Å²	89	79.5 Å²	79.5	41%	0.412	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	161.3	179.3	59.6	-99.1	0	0	0	111.9	I138 N139 D152	I138-H150 WeakPolarHBondContact CA-O 3.42Å; N139-H150 PolarHBondContact N-O 3.05Å; N139-H150 PolarHBondContact O-N 2.98Å; H150-D152 PolarHBondContact O-N 3.36Å
151	V	95.7	Very high	90.5	Very high	50 Å²	50	80.7 Å²	80.7	30%	0.303	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	126.4	174	178.2	0	0	0	0	109.3	L85 V136 I138 S153	L85-V151 HydrophobicContact CD1-CG2 4.24Å; L85-V151 HydrophobicContact CD2-CG2 3.73Å; L85-V151 HydrophobicContact CG-CG2 4.49Å; V136-V151 HydrophobicContact CB-CG1 3.97Å; V136-V151 HydrophobicContact CG1-CG1 3.98Å; V136-V151 HydrophobicContact CG2-CG2 4.34Å; I138-V151 HydrophobicContact CG1-CG2 4.49Å; V151-S153 VanDerWaalsContact CG1-O 3.29Å; V151-S153 WeakPolarHBondContact CG1-O 3.34Å
152	D	92.7	Very high	90.6	Very high	84 Å²	84	80.6 Å²	80.6	45%	0.449	39%	0.385	S	S	.	.			trans	-119.5	26.9	-176.2	-159.4	8.2	0	0	0	111.5	H122 Y137 N139 H150	H122-D152 IonicContact NE2-OD2 2.95Å; H122-D152 PolarHBondContact NE2-OD2 3.44Å; Y137-D152 PolarHBondContact O-N 3.5Å; N139-D152 HydrophobicContact CB-CB 3.84Å; N139-D152 PolarHBondContact ND2-OD2 3.07Å; N139-D152 VanDerWaalsContact ND2-OD2 3.15Å; H150-D152 PolarHBondContact O-N 3.36Å
153	S	93	Very high	91	Very high	38 Å²	38	72.6 Å²	72.6	27%	0.266	36%	0.355	S	S	.	.	S	Bend	trans	-151.4	161.4	177.8	76.9	0	0	0	0	112	Y137 V151	Y137-S153 PolarHBondContact N-OG 3.34Å; V151-S153 VanDerWaalsContact CG1-O 3.29Å; V151-S153 WeakPolarHBondContact CG1-O 3.34Å
154	E	91.5	Very high	91.4	Very high	178 Å²	178	66.2 Å²	66.2	83%	0.832	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-65.7	157.2	161.4	-64.4	-169.2	166.2	0	0	110.6	E156	E154-E156 PolarHBondContact O-N 3.03Å
155	M	93	Very high	92.1	Very high	121 Å²	121	66.8 Å²	66.8	60%	0.596	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-74.6	122.7	178	-63.7	-174.2	-171.1	0	0	110	V136	V136-M155 HydrophobicContact CG1-CB 4.47Å; V136-M155 HydrophobicContact CG1-CG 3.91Å
156	E	95	Very high	92.6	Very high	71 Å²	71	60 Å²	60	33%	0.332	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	157	176.3	-64.4	-175.4	-170.9	0	0	111.4	V134 C135 E154 G158 R161	V134-E156 CarbonylContact C-O 3.54Å; V134-E156 WeakPolarHBondContact CA-O 3.5Å; C135-E156 PolarHBondContact N-O 3Å; C135-E156 PolarHBondContact O-N 3.45Å; E154-E156 PolarHBondContact O-N 3.03Å; E156-G158 PolarHBondContact O-N 2.93Å; E156-R161 IonicContact OE2-CZ 2.84Å; E156-R161 IonicContact OE2-NH1 3.69Å; E156-R161 PolarHBondContact OE2-NH1 3.29Å; E156-R161 IonicContact OE2-NH2 3.98Å; E156-R161 PolarHBondContact OE2-NH2 3.23Å
157	S	94.6	Very high	92.9	Very high	82 Å²	82	60.9 Å²	60.9	57%	0.573	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	128.7	171.3	-173.1	0	0	0	0	110.9	K159	S157-K159 PolarHBondContact OG-N 3.36Å
158	G	93.7	Very high	93.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.291	C	S	.	.			trans	-89.8	4.9	174.6	0	0	0	0	0	114.4	P133 C135 E156 G160 R161 C162	P133-G158 WeakPolarHBondContact O-CA 3.29Å; P133-G158 PolarHBondContact O-N 3.47Å; C135-G158 WeakPolarHBondContact SG-CA 3.29Å; E156-G158 PolarHBondContact O-N 2.93Å; G158-G160 PolarHBondContact O-N 3Å; G158-R161 WeakPolarHBondContact O-CA 3.39Å; G158-R161 WeakPolarHBondContact O-CB 3.48Å; G158-R161 PolarHBondContact O-N 3.48Å; G158-C162 PolarHBondContact O-N 2.89Å
159	K	92.4	Very high	93.2	Very high	137 Å²	137	57.6 Å²	57.6	60%	0.596	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	127.6	176.9	-175.1	178.7	-179.1	-179.8	0	109.6	S157 R161 F164	S157-K159 PolarHBondContact OG-N 3.36Å; K159-R161 PolarHBondContact O-N 3.38Å; K159-F164 HydrophobicContact CB-CZ 4.46Å; K159-F164 HydrophobicContact CG-CE2 4.25Å; K159-F164 HydrophobicContact CG-CZ 4.26Å
160	G	89.1	Confident	93.2	Very high	4 Å²	4	57.1 Å²	57.1	4%	0.041	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	13.4	-174.7	0	0	0	0	0	113.7	G158 M183 F195	G158-G160 PolarHBondContact O-N 3Å; G160-M183 WeakPolarHBondContact O-CE 2.86Å; G160-F195 WeakPolarHBondContact O-CD1 3.46Å; G160-F195 WeakPolarHBondContact O-CE1 3.45Å
161	R	93.8	Very high	93.3	Very high	46 Å²	46	53.5 Å²	53.5	17%	0.174	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-29.7	174.2	-52	-177	-170.7	169.6	-5	112.8	V114 E156 G158 K159 L179 M183	V114-R161 WeakPolarHBondContact CG2-O 3.34Å; E156-R161 IonicContact OE2-CZ 2.84Å; E156-R161 IonicContact OE2-NH1 3.69Å; E156-R161 PolarHBondContact OE2-NH1 3.29Å; E156-R161 IonicContact OE2-NH2 3.98Å; E156-R161 PolarHBondContact OE2-NH2 3.23Å; G158-R161 WeakPolarHBondContact O-CA 3.39Å; G158-R161 WeakPolarHBondContact O-CB 3.48Å; G158-R161 PolarHBondContact O-N 3.48Å; K159-R161 PolarHBondContact O-N 3.38Å; R161-L179 HydrophobicContact CB-CD2 3.95Å; R161-L179 HydrophobicContact CG-CD2 4.4Å; R161-M183 VanDerWaalsContact N-CE 3.28Å
162	C	94.8	Very high	93.3	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-144.5	148.5	179.6	178.1	0	0	0	0	110.6	V114 C126 G127 P133 G158 M183	V114-C162 HydrophobicContact CG2-CB 4.31Å; C126-C162 HydrophobicContact CB-CB 3.56Å; G127-C162 VanDerWaalsContact C-SG 3.6Å; P133-C162 HydrophobicContact CB-CB 4.16Å; P133-C162 WeakPolarHBondContact CG-O 3.28Å; G158-C162 PolarHBondContact O-N 2.89Å; C162-M183 PolarHBondContact N-SD 2.04Å
163	S	94.9	Very high	93.5	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	25%	0.252	C	S	.	.			trans	-69.5	146.2	177.6	-63.8	0	0	0	0	112.8	T170 M183	S163-T170 VanDerWaalsContact CB-OG1 3.29Å; S163-T170 WeakPolarHBondContact CB-OG1 3.28Å; S163-T170 PolarHBondContact N-OG1 3.26Å; S163-T170 PolarHBondContact OG-OG1 3.17Å; S163-M183 WeakPolarHBondContact OG-CB 3.08Å
164	F	94.8	Very high	93.6	Very high	27 Å²	27	48.5 Å²	48.5	12%	0.118	25%	0.246	C	C	.	.	S	Bend	trans	-68.4	-48.2	173	-75.1	-107.3	0	0	0	111.8	Y131 P133 K159 I185 F187	Y131-F164 WeakPolarHBondContact CA-O 3.42Å; Y131-F164 HydrophobicContact CD1-CB 4.43Å; Y131-F164 WeakPolarHBondContact O-CD1 3.47Å; P133-F164 HydrophobicContact CG-CB 4.33Å; P133-F164 HydrophobicContact CG-CD1 4.07Å; P133-F164 HydrophobicContact CG-CD2 3.71Å; P133-F164 HydrophobicContact CG-CE1 4.25Å; P133-F164 HydrophobicContact CG-CE2 3.88Å; P133-F164 HydrophobicContact CG-CG 3.78Å; P133-F164 HydrophobicContact CG-CZ 4.16Å; K159-F164 HydrophobicContact CB-CZ 4.46Å; K159-F164 HydrophobicContact CG-CE2 4.25Å; K159-F164 HydrophobicContact CG-CZ 4.26Å; F164-I185 WeakPolarHBondContact CE2-O 3.29Å; F164-F187 HydrophobicContact CD1-CB 3.85Å; F164-F187 AromaticContact CD1-CD2 3.95Å; F164-F187 HydrophobicContact CD1-CD2 3.95Å; F164-F187 HydrophobicContact CD1-CG 4.36Å; F164-F187 HydrophobicContact CE1-CB 4.29Å; F164-F187 HydrophobicContact CG-CB 4.28Å
165	N	93.2	Very high	93.8	Very high	45 Å²	45	41.2 Å²	41.2	24%	0.241	21%	0.212	C	C	.	.	S	Bend	trans	-80.3	121.3	179	-179.1	-1.3	0	0	0	109.8	Y131 Q167 V168	Y131-N165 HydrophobicContact CE1-CB 3.84Å; Y131-N165 PolarHBondContact OH-OD1 2.96Å; N165-Q167 PolarHBondContact O-N 3.3Å; N165-Q167 WeakPolarHBondContact OD1-CB 3.29Å; N165-Q167 PolarHBondContact OD1-N 3.16Å; N165-V168 HydrophobicContact CB-CG2 4.16Å; N165-V168 VanDerWaalsContact O-CG2 3.32Å; N165-V168 WeakPolarHBondContact O-CG2 3.46Å; N165-V168 PolarHBondContact O-N 2.93Å
166	P	92.1	Very high	93.8	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.013	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-21.5	177.7	28.3	-35.8	0	0	0	113.2	F111 R113 Y131 V168	F111-P166 HydrophobicContact CB-CB 3.67Å; F111-P166 HydrophobicContact CD1-CB 4.15Å; F111-P166 HydrophobicContact CD2-CB 3.53Å; F111-P166 HydrophobicContact CD2-CG 3.84Å; F111-P166 HydrophobicContact CE2-CB 4.18Å; F111-P166 HydrophobicContact CE2-CG 4.08Å; F111-P166 HydrophobicContact CG-CB 3.5Å; F111-P166 HydrophobicContact CG-CG 4.29Å; R113-P166 VanDerWaalsContact CZ-O 3.25Å; R113-P166 PolarHBondContact NE-O 3.4Å; R113-P166 PolarHBondContact NH2-O 3.2Å; Y131-P166 HydrophobicContact CE2-CG 4.39Å; P166-V168 VanDerWaalsContact C-N 3.31Å; P166-V168 PolarHBondContact O-N 3.26Å
167	Q	90.3	Very high	93.8	Very high	118 Å²	118	43.7 Å²	43.7	55%	0.551	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-15.7	-176.8	-60	-58.7	-35	0	0	113.7	N165	N165-Q167 PolarHBondContact O-N 3.3Å; N165-Q167 WeakPolarHBondContact OD1-CB 3.29Å; N165-Q167 PolarHBondContact OD1-N 3.16Å
168	V	91	Very high	93.9	Very high	42 Å²	42	41.2 Å²	41.2	26%	0.255	21%	0.206	S	C	.	.	S	Bend	trans	-93.2	143.7	175.6	-57.3	0	0	0	0	110.5	N165 P166 Y184	N165-V168 HydrophobicContact CB-CG2 4.16Å; N165-V168 VanDerWaalsContact O-CG2 3.32Å; N165-V168 WeakPolarHBondContact O-CG2 3.46Å; N165-V168 PolarHBondContact O-N 2.93Å; P166-V168 VanDerWaalsContact C-N 3.31Å; P166-V168 PolarHBondContact O-N 3.26Å; V168-Y184 HydrophobicContact CG2-CD2 4.45Å
169	N	91.4	Very high	94	Very high	53 Å²	53	41.2 Å²	41.2	28%	0.283	21%	0.206	S	C	.	.			trans	-70.1	138.6	177.7	-71.4	-11.4	0	0	0	110.6	F219	N169-F219 WeakPolarHBondContact CB-O 3.49Å; N169-F219 PolarHBondContact ND2-O 3.27Å; N169-F219 VanDerWaalsContact ND2-O 3.09Å
170	T	95.2	Very high	94.3	Very high	12 Å²	12	34.8 Å²	34.8	7%	0.074	18%	0.178	C	C	.	.			trans	-115.1	116.7	165.4	-61.2	0	0	0	0	106.7	V114 S163 M183	V114-T170 HydrophobicContact CG2-CG2 3.73Å; S163-T170 VanDerWaalsContact CB-OG1 3.29Å; S163-T170 WeakPolarHBondContact CB-OG1 3.28Å; S163-T170 PolarHBondContact N-OG1 3.26Å; S163-T170 PolarHBondContact OG-OG1 3.17Å; T170-M183 HydrophobicContact CG2-CB 4.06Å; T170-M183 HydrophobicContact CG2-SD 4Å
171	V	96.4	Very high	94.7	Very high	12 Å²	12	34.6 Å²	34.6	7%	0.073	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	139.2	173.8	173.4	0	0	0	0	107.7	S181 G182 F219 A222	V171-S181 CarbonylContact O-C 3.6Å; V171-S181 WeakPolarHBondContact O-CA 2.99Å; V171-G182 PolarHBondContact N-O 3.22Å; V171-G182 PolarHBondContact O-N 3.12Å; V171-F219 HydrophobicContact CB-CB 4.14Å; V171-F219 HydrophobicContact CG2-CB 3.65Å; V171-A222 HydrophobicContact CG1-CB 3.36Å; V171-A222 VanDerWaalsContact CG1-N 3.29Å
172	S	96.3	Very high	94.8	Very high	18 Å²	18	32.4 Å²	32.4	13%	0.126	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	154.2	179.3	57.5	0	0	0	0	112.9	Q116 F180	Q116-S172 PolarHBondContact NE2-O 2.87Å; Q116-S172 PolarHBondContact NE2-OG 2.9Å; S172-F180 CarbonylContact C-O 3.59Å; S172-F180 WeakPolarHBondContact CA-O 3.38Å
173	V	96.8	Very high	94.9	Very high	24 Å²	24	32.4 Å²	32.4	15%	0.145	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	135.4	171	-178.3	0	0	0	0	108.3	I175 F180 A222 L236	V173-I175 HydrophobicContact CG1-CD1 4.31Å; V173-I175 HydrophobicContact CG1-CG1 3.97Å; V173-F180 PolarHBondContact N-O 2.85Å; V173-F180 PolarHBondContact O-N 3.25Å; V173-A222 HydrophobicContact CG2-CB 3.86Å; V173-A222 WeakPolarHBondContact CG2-O 3.16Å; V173-L236 HydrophobicContact CB-CD1 4.09Å; V173-L236 HydrophobicContact CG1-CD1 4.2Å; V173-L236 HydrophobicContact CG2-CD1 4.02Å
174	M	96.4	Very high	94.9	Very high	26 Å²	26	33.8 Å²	33.8	13%	0.128	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.4	174.1	-170.9	77.3	68.3	0	0	110.3	Q116 P117 Y118 F124 Q177 E178 L179 L198	Q116-M174 HydrophobicContact CB-CB 3.84Å; Q116-M174 HydrophobicContact CB-CE 3.89Å; Q116-M174 HydrophobicContact CG-CB 4.25Å; P117-M174 WeakPolarHBondContact O-CG 3.05Å; Y118-M174 HydrophobicContact CD2-CE 4.31Å; Y118-M174 HydrophobicContact CD2-SD 4.46Å; F124-M174 HydrophobicContact CB-CE 3.64Å; F124-M174 HydrophobicContact CD1-CE 3.74Å; F124-M174 HydrophobicContact CG-CE 3.87Å; M174-Q177 VanDerWaalsContact SD-C 3.57Å; M174-E178 WeakPolarHBondContact CA-O 3.21Å; M174-E178 VanDerWaalsContact SD-C 3.59Å; M174-L179 HydrophobicContact CE-CB 4.25Å; M174-L179 HydrophobicContact CE-CD1 3.91Å; M174-L179 HydrophobicContact SD-CB 4.16Å; M174-L179 HydrophobicContact SD-CD1 4.49Å; M174-L198 HydrophobicContact CE-CD1 3.97Å; M174-L198 HydrophobicContact SD-CD1 4.4Å
175	I	94.9	Very high	94.8	Very high	25 Å²	25	33.2 Å²	33.2	13%	0.128	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	124.2	176.4	-54.6	172.5	0	0	0	107.6	V173 Q177 E178 F180 L224 L236 P263	V173-I175 HydrophobicContact CG1-CD1 4.31Å; V173-I175 HydrophobicContact CG1-CG1 3.97Å; I175-Q177 PolarHBondContact O-N 2.76Å; I175-E178 PolarHBondContact N-O 2.88Å; I175-E178 WeakPolarHBondContact O-CA 3.1Å; I175-E178 WeakPolarHBondContact O-CB 3.25Å; I175-E178 PolarHBondContact O-N 2.78Å; I175-F180 HydrophobicContact CB-CD2 4.35Å; I175-F180 HydrophobicContact CB-CE2 3.93Å; I175-F180 HydrophobicContact CD1-CD2 4.27Å; I175-F180 HydrophobicContact CD1-CE2 4.21Å; I175-F180 HydrophobicContact CG1-CD2 4.35Å; I175-F180 HydrophobicContact CG1-CE2 4.34Å; I175-L224 HydrophobicContact CD1-CB 4.43Å; I175-L224 HydrophobicContact CD1-CD1 3.96Å; I175-L224 HydrophobicContact CD1-CD2 4.12Å; I175-L224 HydrophobicContact CD1-CG 4.4Å; I175-L236 HydrophobicContact CD1-CD1 4.3Å; I175-P263 HydrophobicContact CD1-CB 4.48Å; I175-P263 HydrophobicContact CD1-CG 4.4Å
176	N	93.1	Very high	94.7	Very high	146 Å²	146	32.8 Å²	32.8	78%	0.781	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	40.4	179.1	-60.1	-31.7	0	0	0	113.7	E178	N176-E178 PolarHBondContact O-N 3.11Å
177	Q	95.1	Very high	94.7	Very high	98 Å²	98	35.9 Å²	35.9	46%	0.458	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	10.2	-176.1	-61.7	164.5	47.5	0	0	114.8	Y118 M174 I175	Y118-Q177 HydrophobicContact CD2-CB 4.2Å; Y118-Q177 HydrophobicContact CD2-CG 4.07Å; Y118-Q177 HydrophobicContact CE1-CG 4.34Å; Y118-Q177 HydrophobicContact CE2-CB 3.58Å; Y118-Q177 HydrophobicContact CE2-CG 3.67Å; Y118-Q177 PolarHBondContact OH-OE1 2.82Å; Y118-Q177 VanDerWaalsContact OH-OE1 3.04Å; M174-Q177 VanDerWaalsContact SD-C 3.57Å; I175-Q177 PolarHBondContact O-N 2.76Å
178	E	95.7	Very high	94.7	Very high	30 Å²	30	36.9 Å²	36.9	14%	0.14	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.3	170.3	-56.1	-175.1	135.9	0	0	109.5	M174 I175 N176 F180 R196 T199	M174-E178 WeakPolarHBondContact CA-O 3.21Å; M174-E178 VanDerWaalsContact SD-C 3.59Å; I175-E178 PolarHBondContact N-O 2.88Å; I175-E178 WeakPolarHBondContact O-CA 3.1Å; I175-E178 WeakPolarHBondContact O-CB 3.25Å; I175-E178 PolarHBondContact O-N 2.78Å; N176-E178 PolarHBondContact O-N 3.11Å; E178-F180 HydrophobicContact CB-CE2 4.02Å; E178-R196 HydrophobicContact CB-CG 4.33Å; E178-T199 WeakPolarHBondContact OE1-CB 3.18Å; E178-T199 PolarHBondContact OE1-OG1 2.95Å
179	L	97	Very high	94.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.9	-177.4	-179.2	78.1	0	0	0	110	V114 Q116 F124 R161 M174 R196 S197 L198	V114-L179 HydrophobicContact CG1-CD1 4.26Å; Q116-L179 HydrophobicContact CG-CD1 3.9Å; F124-L179 HydrophobicContact CD1-CD2 4.42Å; F124-L179 HydrophobicContact CE1-CD2 3.85Å; R161-L179 HydrophobicContact CB-CD2 3.95Å; R161-L179 HydrophobicContact CG-CD2 4.4Å; M174-L179 HydrophobicContact CE-CB 4.25Å; M174-L179 HydrophobicContact CE-CD1 3.91Å; M174-L179 HydrophobicContact SD-CB 4.16Å; M174-L179 HydrophobicContact SD-CD1 4.49Å; L179-R196 WeakPolarHBondContact O-CA 3.44Å; L179-S197 WeakPolarHBondContact CB-OG 3.38Å; L179-S197 PolarHBondContact N-O 2.99Å; L179-S197 PolarHBondContact O-N 2.71Å; L179-S197 PolarHBondContact O-OG 2.67Å; L179-L198 HydrophobicContact CB-CB 4.29Å; L179-L198 HydrophobicContact CB-CD1 3.71Å; L179-L198 HydrophobicContact CB-CG 4.11Å; L179-L198 HydrophobicContact CD2-CD1 4.37Å
180	F	97.6	Very high	94.5	Very high	1 Å²	1	39 Å²	39	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.3	172.3	-62	-106.2	0	0	0	108.4	S172 V173 I175 E178 F195 R196 L236 F238 P263 W276	S172-F180 CarbonylContact C-O 3.59Å; S172-F180 WeakPolarHBondContact CA-O 3.38Å; V173-F180 PolarHBondContact N-O 2.85Å; V173-F180 PolarHBondContact O-N 3.25Å; I175-F180 HydrophobicContact CB-CD2 4.35Å; I175-F180 HydrophobicContact CB-CE2 3.93Å; I175-F180 HydrophobicContact CD1-CD2 4.27Å; I175-F180 HydrophobicContact CD1-CE2 4.21Å; I175-F180 HydrophobicContact CG1-CD2 4.35Å; I175-F180 HydrophobicContact CG1-CE2 4.34Å; E178-F180 HydrophobicContact CB-CE2 4.02Å; F180-F195 CarbonylContact C-O 3.56Å; F180-F195 WeakPolarHBondContact CA-O 3.36Å; F180-R196 HydrophobicContact CD1-CB 4.15Å; F180-R196 HydrophobicContact CD1-CG 4.25Å; F180-R196 HydrophobicContact CE1-CB 4.17Å; F180-R196 HydrophobicContact CE1-CG 4Å; F180-R196 HydrophobicContact CE2-CG 4.3Å; F180-R196 VanDerWaalsContact CZ-CD 3.42Å; F180-R196 HydrophobicContact CZ-CG 4.01Å; F180-L236 HydrophobicContact CB-CD2 3.3Å; F180-L236 HydrophobicContact CD1-CD2 3.62Å; F180-L236 HydrophobicContact CD2-CD2 4.35Å; F180-L236 HydrophobicContact CG-CD2 3.51Å; F180-F238 HydrophobicContact CB-CZ 4.36Å; F180-P263 HydrophobicContact CE1-CB 4.44Å; F180-P263 HydrophobicContact CZ-CB 4.1Å; F180-W276 AromaticContact CD1-CH2 3.92Å; F180-W276 HydrophobicContact CD1-CH2 3.92Å; F180-W276 HydrophobicContact CD1-CZ2 4.41Å; F180-W276 AromaticContact CE1-CH2 3.73Å; F180-W276 HydrophobicContact CE1-CH2 3.73Å; F180-W276 HydrophobicContact CE1-CZ3 4.43Å
181	S	97.1	Very high	94.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	141	-176.3	-58.8	0	0	0	0	112.3	V171 I194 F195	V171-S181 CarbonylContact O-C 3.6Å; V171-S181 WeakPolarHBondContact O-CA 2.99Å; S181-I194 CarbonylContact O-C 3.56Å; S181-I194 WeakPolarHBondContact O-CA 3.36Å; S181-F195 PolarHBondContact N-O 3.02Å; S181-F195 PolarHBondContact O-N 3.36Å
182	G	97.3	Very high	94.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113.9	165.3	0	0	0	0	0	109.1	V171 A193 F219	V171-G182 PolarHBondContact N-O 3.22Å; V171-G182 PolarHBondContact O-N 3.12Å; G182-A193 WeakPolarHBondContact CA-O 3.31Å; G182-F219 VanDerWaalsContact C-CE2 3.49Å; G182-F219 WeakPolarHBondContact O-CD2 3.16Å
183	M	95.8	Very high	94.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	177.4	-172.8	63.8	-173.5	167.8	0	0	113.4	G160 R161 C162 S163 T170 I185 A192 A193	G160-M183 WeakPolarHBondContact O-CE 2.86Å; R161-M183 VanDerWaalsContact N-CE 3.28Å; C162-M183 PolarHBondContact N-SD 2.04Å; S163-M183 WeakPolarHBondContact OG-CB 3.08Å; T170-M183 HydrophobicContact CG2-CB 4.06Å; T170-M183 HydrophobicContact CG2-SD 4Å; M183-I185 HydrophobicContact CE-CG1 4.24Å; M183-I185 HydrophobicContact CG-CG1 4.37Å; M183-A192 WeakPolarHBondContact O-CA 3.12Å; M183-A193 PolarHBondContact N-O 2.96Å; M183-A193 VanDerWaalsContact N-O 3.08Å; M183-A193 PolarHBondContact O-N 3.48Å
184	Y	95.2	Very high	94.4	Very high	31 Å²	31	37.5 Å²	37.5	12%	0.122	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.8	164.6	-75.9	-93.7	0	0	0	110.8	V168 G189 D191 A192 E216 P217	V168-Y184 HydrophobicContact CG2-CD2 4.45Å; Y184-G189 VanDerWaalsContact CD1-O 3.26Å; Y184-G189 WeakPolarHBondContact CD1-O 3.41Å; Y184-G189 WeakPolarHBondContact CE1-O 3.22Å; Y184-D191 WeakPolarHBondContact CA-O 3.24Å; Y184-A192 HydrophobicContact CD1-CB 3.95Å; Y184-A192 HydrophobicContact CD2-CB 4.47Å; Y184-A192 HydrophobicContact CE1-CB 3.69Å; Y184-A192 HydrophobicContact CE2-CB 4.21Å; Y184-A192 HydrophobicContact CG-CB 4.36Å; Y184-E216 WeakPolarHBondContact OH-CA 3.46Å; Y184-P217 WeakPolarHBondContact CE2-O 3.28Å
185	I	92.6	Very high	94.3	Very high	15 Å²	15	37.9 Å²	37.9	8%	0.077	20%	0.202	C	C	.	.			trans	-93.2	-16.3	-171.2	-59.8	177.8	0	0	0	112.3	F164 M183 D191 A193 F195	F164-I185 WeakPolarHBondContact CE2-O 3.29Å; M183-I185 HydrophobicContact CE-CG1 4.24Å; M183-I185 HydrophobicContact CG-CG1 4.37Å; I185-D191 PolarHBondContact N-O 2.82Å; I185-A193 HydrophobicContact CD1-CB 3.7Å; I185-F195 HydrophobicContact CD1-CB 4.28Å; I185-F195 HydrophobicContact CD1-CD2 3.92Å; I185-F195 HydrophobicContact CD1-CG 4.11Å
186	D	91.9	Very high	94.4	Very high	35 Å²	35	36.8 Å²	36.8	19%	0.187	20%	0.196	C	C	.	.	S	Bend	trans	-108.8	161.2	-174.4	69.8	-33.5	0	0	0	113.2	M188 G189 T190 D191	D186-M188 VanDerWaalsContact C-N 3.29Å; D186-M188 PolarHBondContact O-N 3.22Å; D186-M188 WeakPolarHBondContact OD2-CB 3.14Å; D186-G189 PolarHBondContact O-N 2.84Å; D186-G189 WeakPolarHBondContact OD1-CA 3.33Å; D186-G189 PolarHBondContact OD1-N 3.28Å; D186-G189 PolarHBondContact OD2-N 3.33Å; D186-T190 PolarHBondContact OD1-N 3.47Å; D186-T190 PolarHBondContact OD2-N 2.87Å; D186-T190 VanDerWaalsContact OD2-N 3.11Å; D186-T190 PolarHBondContact OD2-OG1 3.46Å; D186-D191 HydrophobicContact CB-CB 4.09Å; D186-D191 PolarHBondContact OD1-N 3.2Å; D186-D191 PolarHBondContact OD2-N 3.22Å
187	F	91.3	Very high	94.4	Very high	67 Å²	67	30.2 Å²	30.2	29%	0.294	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-30.4	177.9	178.7	-80.3	0	0	0	112.3	A100 Y131 F164 G189	A100-F187 HydrophobicContact CB-CZ 3.95Å; Y131-F187 HydrophobicContact CD1-CD2 4.28Å; Y131-F187 AromaticContact CD1-CE2 3.97Å; Y131-F187 HydrophobicContact CD1-CE2 3.97Å; Y131-F187 HydrophobicContact CD1-CZ 4.38Å; Y131-F187 HydrophobicContact CG-CE2 4.1Å; F164-F187 HydrophobicContact CD1-CB 3.85Å; F164-F187 AromaticContact CD1-CD2 3.95Å; F164-F187 HydrophobicContact CD1-CD2 3.95Å; F164-F187 HydrophobicContact CD1-CG 4.36Å; F164-F187 HydrophobicContact CE1-CB 4.29Å; F164-F187 HydrophobicContact CG-CB 4.28Å; F187-G189 VanDerWaalsContact C-N 3.33Å
188	M	90.4	Very high	94.3	Very high	139 Å²	139	27.3 Å²	27.3	69%	0.685	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-18.6	-179.6	-62.4	-78.1	98.3	0	0	112.9	D186 T190	D186-M188 VanDerWaalsContact C-N 3.29Å; D186-M188 PolarHBondContact O-N 3.22Å; D186-M188 WeakPolarHBondContact OD2-CB 3.14Å; M188-T190 HydrophobicContact CB-CG2 4.01Å
189	G	88.8	Confident	94	Very high	30 Å²	30	27.2 Å²	27.2	31%	0.309	15%	0.151	S	C	.	.	S	Bend	trans	72.4	38.1	-176.2	0	0	0	0	0	112.5	Y184 D186 F187	Y184-G189 VanDerWaalsContact CD1-O 3.26Å; Y184-G189 WeakPolarHBondContact CD1-O 3.41Å; Y184-G189 WeakPolarHBondContact CE1-O 3.22Å; D186-G189 PolarHBondContact O-N 2.84Å; D186-G189 WeakPolarHBondContact OD1-CA 3.33Å; D186-G189 PolarHBondContact OD1-N 3.28Å; D186-G189 PolarHBondContact OD2-N 3.33Å; F187-G189 VanDerWaalsContact C-N 3.33Å
190	T	90.6	Very high	93.5	Very high	109 Å²	109	37.9 Å²	37.9	67%	0.669	20%	0.197	S	C	*	.			trans	-113	-25.7	179.5	65.1	0	0	0	0	112.8	D186 M188 A192	D186-T190 PolarHBondContact OD1-N 3.47Å; D186-T190 PolarHBondContact OD2-N 2.87Å; D186-T190 VanDerWaalsContact OD2-N 3.11Å; D186-T190 PolarHBondContact OD2-OG1 3.46Å; M188-T190 HydrophobicContact CB-CG2 4.01Å; T190-A192 PolarHBondContact O-N 3.3Å
191	D	93.2	Very high	93.1	Very high	20 Å²	20	44.5 Å²	44.5	11%	0.107	22%	0.222	C	C	.	.			trans	-97.2	80.2	-177.1	-172	31.5	0	0	0	111.5	Y184 I185 D186 R205 Q208	Y184-D191 WeakPolarHBondContact CA-O 3.24Å; I185-D191 PolarHBondContact N-O 2.82Å; D186-D191 HydrophobicContact CB-CB 4.09Å; D186-D191 PolarHBondContact OD1-N 3.2Å; D186-D191 PolarHBondContact OD2-N 3.22Å; D191-R205 IonicContact OD1-CZ 3.1Å; D191-R205 IonicContact OD1-NH1 3.36Å; D191-R205 IonicContact OD1-NH2 2.75Å; D191-R205 PolarHBondContact OD1-NH2 2.76Å; D191-R205 IonicContact OD2-CZ 2.67Å; D191-R205 IonicContact OD2-NH1 3.71Å; D191-R205 PolarHBondContact OD2-NH1 3.43Å; D191-R205 IonicContact OD2-NH2 2.8Å; D191-R205 PolarHBondContact OD2-NH2 3.14Å; D191-Q208 WeakPolarHBondContact OD1-CG 3.49Å; D191-Q208 PolarHBondContact OD1-NE2 3.17Å; D191-Q208 PolarHBondContact OD2-NE2 2.82Å
192	A	95.3	Very high	92.6	Very high	16 Å²	16	49.2 Å²	49.2	13%	0.132	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	136.8	172.2	0	0	0	0	0	111.8	M183 Y184 T190 P217	M183-A192 WeakPolarHBondContact O-CA 3.12Å; Y184-A192 HydrophobicContact CD1-CB 3.95Å; Y184-A192 HydrophobicContact CD2-CB 4.47Å; Y184-A192 HydrophobicContact CE1-CB 3.69Å; Y184-A192 HydrophobicContact CE2-CB 4.21Å; Y184-A192 HydrophobicContact CG-CB 4.36Å; T190-A192 PolarHBondContact O-N 3.3Å; A192-P217 VanDerWaalsContact CB-CD 3.5Å; A192-P217 HydrophobicContact CB-CG 3.43Å; A192-P217 VanDerWaalsContact CB-CG 3.43Å
193	A	96.4	Very high	92.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	151.7	173.6	0	0	0	0	0	113.9	G182 M183 I185 T206	G182-A193 WeakPolarHBondContact CA-O 3.31Å; M183-A193 PolarHBondContact N-O 2.96Å; M183-A193 VanDerWaalsContact N-O 3.08Å; M183-A193 PolarHBondContact O-N 3.48Å; I185-A193 HydrophobicContact CD1-CB 3.7Å; A193-T206 VanDerWaalsContact CA-OG1 3.27Å; A193-T206 WeakPolarHBondContact CA-OG1 3.2Å; A193-T206 WeakPolarHBondContact CB-OG1 3.29Å
194	I	97.7	Very high	92.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.1	155.3	-67.4	160.4	0	0	0	106.8	S181 R205 T206 F219 F238 W276 F279	S181-I194 CarbonylContact O-C 3.56Å; S181-I194 WeakPolarHBondContact O-CA 3.36Å; I194-R205 CarbonylContact O-C 3.6Å; I194-R205 WeakPolarHBondContact O-CA 3.49Å; I194-T206 HydrophobicContact CB-CG2 3.82Å; I194-T206 PolarHBondContact N-OG1 3.41Å; I194-T206 PolarHBondContact O-N 3.02Å; I194-T206 VanDerWaalsContact O-N 3.11Å; I194-F219 HydrophobicContact CD1-CE1 4.15Å; I194-F219 HydrophobicContact CG1-CE1 3.71Å; I194-F219 HydrophobicContact CG1-CZ 4.19Å; I194-F238 HydrophobicContact CD1-CB 3.96Å; I194-F238 HydrophobicContact CD1-CD1 4.29Å; I194-F238 HydrophobicContact CD1-CD2 3.94Å; I194-F238 HydrophobicContact CD1-CG 3.8Å; I194-F238 HydrophobicContact CG1-CD1 4.09Å; I194-F238 HydrophobicContact CG1-CD2 4.32Å; I194-F238 HydrophobicContact CG1-CE1 4.32Å; I194-F238 HydrophobicContact CG1-CG 4.1Å; I194-F238 HydrophobicContact CG2-CD2 3.97Å; I194-F238 HydrophobicContact CG2-CE1 4.08Å; I194-F238 HydrophobicContact CG2-CE2 3.45Å; I194-F238 VanDerWaalsContact CG2-CE2 3.45Å; I194-F238 HydrophobicContact CG2-CG 4.48Å; I194-F238 HydrophobicContact CG2-CZ 3.52Å; I194-W276 PolarHBondContact O-NE1 2.81Å; I194-F279 HydrophobicContact CD1-CD2 4.47Å; I194-F279 HydrophobicContact CD1-CE2 3.76Å
195	F	94.2	Very high	92.3	Very high	34 Å²	34	51.4 Å²	51.4	15%	0.149	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.8	-162.3	-168.5	-104.9	0	0	0	111.2	G160 F180 S181 I185 A203 R205	G160-F195 WeakPolarHBondContact O-CD1 3.46Å; G160-F195 WeakPolarHBondContact O-CE1 3.45Å; F180-F195 CarbonylContact C-O 3.56Å; F180-F195 WeakPolarHBondContact CA-O 3.36Å; S181-F195 PolarHBondContact N-O 3.02Å; S181-F195 PolarHBondContact O-N 3.36Å; I185-F195 HydrophobicContact CD1-CB 4.28Å; I185-F195 HydrophobicContact CD1-CD2 3.92Å; I185-F195 HydrophobicContact CD1-CG 4.11Å; F195-A203 HydrophobicContact CE1-CB 4.43Å; F195-A203 HydrophobicContact CE2-CB 4.14Å; F195-A203 HydrophobicContact CZ-CB 3.68Å; F195-R205 HydrophobicContact CD2-CB 3.52Å; F195-R205 HydrophobicContact CE2-CB 3.99Å
196	R	95.9	Very high	92.5	Very high	1 Å²	1	50.8 Å²	50.8	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.9	166.5	-176.5	176.3	66.8	-145	-7.6	110.3	E178 L179 F180 T199 A203 V204 P263 D265 W276	E178-R196 HydrophobicContact CB-CG 4.33Å; L179-R196 WeakPolarHBondContact O-CA 3.44Å; F180-R196 HydrophobicContact CD1-CB 4.15Å; F180-R196 HydrophobicContact CD1-CG 4.25Å; F180-R196 HydrophobicContact CE1-CB 4.17Å; F180-R196 HydrophobicContact CE1-CG 4Å; F180-R196 HydrophobicContact CE2-CG 4.3Å; F180-R196 VanDerWaalsContact CZ-CD 3.42Å; F180-R196 HydrophobicContact CZ-CG 4.01Å; R196-T199 HydrophobicContact CG-CG2 4.49Å; R196-A203 WeakPolarHBondContact O-CB 3.5Å; R196-V204 PolarHBondContact N-O 2.67Å; R196-P263 PolarHBondContact NH1-O 2.84Å; R196-D265 PolarHBondContact NH1-O 3.46Å; R196-D265 PolarHBondContact NH2-O 2.79Å; R196-W276 HydrophobicContact CB-CH2 3.76Å; R196-W276 HydrophobicContact CB-CZ2 3.94Å
197	S	93.4	Very high	92.7	Very high	8 Å²	8	49.7 Å²	49.7	6%	0.056	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	-176.5	-179.8	71.5	0	0	0	0	111.1	L179 T199	L179-S197 WeakPolarHBondContact CB-OG 3.38Å; L179-S197 PolarHBondContact N-O 2.99Å; L179-S197 PolarHBondContact O-N 2.71Å; L179-S197 PolarHBondContact O-OG 2.67Å; S197-T199 PolarHBondContact O-N 3.17Å
198	L	92.3	Very high	92.7	Very high	37 Å²	37	50.2 Å²	50.2	19%	0.194	26%	0.258	C	S	.	.	S	Bend	trans	52.6	27.3	-176	-63.7	177.5	0	0	0	113.9	F124 M174 L179	F124-L198 HydrophobicContact CD1-CD1 3.74Å; F124-L198 HydrophobicContact CD2-CD1 3.97Å; F124-L198 HydrophobicContact CE1-CD1 3.5Å; F124-L198 VanDerWaalsContact CE1-CD1 3.5Å; F124-L198 HydrophobicContact CE1-CG 4.48Å; F124-L198 HydrophobicContact CE2-CD1 3.72Å; F124-L198 HydrophobicContact CE2-CD2 4.05Å; F124-L198 HydrophobicContact CE2-CG 4.49Å; F124-L198 HydrophobicContact CG-CD1 3.97Å; F124-L198 HydrophobicContact CZ-CD1 3.47Å; F124-L198 VanDerWaalsContact CZ-CD1 3.47Å; F124-L198 HydrophobicContact CZ-CD2 4Å; F124-L198 HydrophobicContact CZ-CG 4.16Å; M174-L198 HydrophobicContact CE-CD1 3.97Å; M174-L198 HydrophobicContact SD-CD1 4.4Å; L179-L198 HydrophobicContact CB-CB 4.29Å; L179-L198 HydrophobicContact CB-CD1 3.71Å; L179-L198 HydrophobicContact CB-CG 4.11Å; L179-L198 HydrophobicContact CD2-CD1 4.37Å
199	T	90.3	Very high	92.5	Very high	29 Å²	29	51.8 Å²	51.8	18%	0.178	26%	0.264	C	S	.	.			trans	-103.3	147.3	-177.5	178.1	0	0	0	0	110.7	E178 R196 S197 R201	E178-T199 WeakPolarHBondContact OE1-CB 3.18Å; E178-T199 PolarHBondContact OE1-OG1 2.95Å; R196-T199 HydrophobicContact CG-CG2 4.49Å; S197-T199 PolarHBondContact O-N 3.17Å; T199-R201 WeakPolarHBondContact CG2-O 3.21Å; T199-R201 WeakPolarHBondContact OG1-CB 3.32Å; T199-R201 PolarHBondContact OG1-N 2.88Å
200	K	87.4	Confident	92.6	Very high	223 Å²	223	51.8 Å²	51.8	97%	0.97	26%	0.256	S	S	*	.	S	Bend	trans	-77.3	-14.4	167.4	-63.8	-177.8	-179	179.2	0	112.2
201	R	87.2	Confident	92.5	Very high	141 Å²	141	50.5 Å²	50.5	53%	0.532	25%	0.252	S	S	.	.	S	Bend	trans	-87	178.9	176.3	-54.6	175.9	179.5	-177.8	-0.2	109.2	T199 A203	T199-R201 WeakPolarHBondContact CG2-O 3.21Å; T199-R201 WeakPolarHBondContact OG1-CB 3.32Å; T199-R201 PolarHBondContact OG1-N 2.88Å; R201-A203 PolarHBondContact O-N 2.74Å
202	N	87.3	Confident	92.4	Very high	98 Å²	98	53.3 Å²	53.3	52%	0.524	26%	0.263	S	S	.	.			trans	-63.9	136.7	168.4	-65.4	-13.3	0	0	0	110.2	N274	N202-N274 WeakPolarHBondContact CB-OD1 3.21Å; N202-N274 PolarHBondContact ND2-OD1 3.15Å; N202-N274 VanDerWaalsContact ND2-OD1 3.09Å
203	A	92	Very high	92.4	Very high	41 Å²	41	52.6 Å²	52.6	34%	0.339	26%	0.257	S	S	.	.			trans	-61.2	139.7	171.2	0	0	0	0	0	110.1	F195 R196 R201 N274	F195-A203 HydrophobicContact CE1-CB 4.43Å; F195-A203 HydrophobicContact CE2-CB 4.14Å; F195-A203 HydrophobicContact CZ-CB 3.68Å; R196-A203 WeakPolarHBondContact O-CB 3.5Å; R201-A203 PolarHBondContact O-N 2.74Å; A203-N274 WeakPolarHBondContact O-CB 3.4Å
204	V	95.1	Very high	92.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.6	-179.2	179.6	0	0	0	0	109.3	R196 N274 K275 W276	R196-V204 PolarHBondContact N-O 2.67Å; V204-N274 WeakPolarHBondContact CA-O 3.28Å; V204-K275 VanDerWaalsContact CG1-C 3.44Å; V204-W276 HydrophobicContact CB-CD2 4.43Å; V204-W276 HydrophobicContact CB-CE3 4.38Å; V204-W276 HydrophobicContact CB-CH2 4.24Å; V204-W276 HydrophobicContact CB-CZ2 4.29Å; V204-W276 HydrophobicContact CB-CZ3 4.29Å; V204-W276 HydrophobicContact CG1-CB 4.44Å; V204-W276 HydrophobicContact CG1-CD2 3.47Å; V204-W276 VanDerWaalsContact CG1-CD2 3.47Å; V204-W276 HydrophobicContact CG1-CE3 3.56Å; V204-W276 HydrophobicContact CG1-CG 3.91Å; V204-W276 HydrophobicContact CG1-CH2 4.24Å; V204-W276 HydrophobicContact CG1-CZ2 4.19Å; V204-W276 HydrophobicContact CG1-CZ3 3.95Å
205	R	95.6	Very high	92.1	Very high	37 Å²	37	54.3 Å²	54.3	14%	0.14	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	168	-176.6	69.6	168.1	-74.3	158.9	-3.8	114.4	D191 I194 F195 N274 K275 W276	D191-R205 IonicContact OD1-CZ 3.1Å; D191-R205 IonicContact OD1-NH1 3.36Å; D191-R205 IonicContact OD1-NH2 2.75Å; D191-R205 PolarHBondContact OD1-NH2 2.76Å; D191-R205 IonicContact OD2-CZ 2.67Å; D191-R205 IonicContact OD2-NH1 3.71Å; D191-R205 PolarHBondContact OD2-NH1 3.43Å; D191-R205 IonicContact OD2-NH2 2.8Å; D191-R205 PolarHBondContact OD2-NH2 3.14Å; I194-R205 CarbonylContact O-C 3.6Å; I194-R205 WeakPolarHBondContact O-CA 3.49Å; F195-R205 HydrophobicContact CD2-CB 3.52Å; F195-R205 HydrophobicContact CE2-CB 3.99Å; R205-N274 PolarHBondContact N-O 3.19Å; R205-N274 VanDerWaalsContact N-O 3.11Å; R205-K275 CarbonylContact O-C 3.24Å; R205-K275 WeakPolarHBondContact O-CA 3.44Å; R205-K275 WeakPolarHBondContact O-CB 3.26Å; R205-W276 VanDerWaalsContact O-CD1 3.29Å; R205-W276 PolarHBondContact O-N 3.41Å
206	T	97.1	Very high	92	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.012	28%	0.283	C	S	.	.			trans	-67.4	151.4	168	46.5	0	0	0	0	111.6	A193 I194 Q208 W213 L214 F279	A193-T206 VanDerWaalsContact CA-OG1 3.27Å; A193-T206 WeakPolarHBondContact CA-OG1 3.2Å; A193-T206 WeakPolarHBondContact CB-OG1 3.29Å; I194-T206 HydrophobicContact CB-CG2 3.82Å; I194-T206 PolarHBondContact N-OG1 3.41Å; I194-T206 PolarHBondContact O-N 3.02Å; I194-T206 VanDerWaalsContact O-N 3.11Å; T206-Q208 PolarHBondContact O-N 2.86Å; T206-Q208 VanDerWaalsContact O-N 3.13Å; T206-W213 HydrophobicContact CG2-CE3 3.91Å; T206-W213 HydrophobicContact CG2-CZ3 4.33Å; T206-L214 HydrophobicContact CG2-CD1 4.01Å; T206-L214 HydrophobicContact CG2-CG 4.49Å; T206-L214 WeakPolarHBondContact OG1-CD1 3.46Å; T206-F279 HydrophobicContact CG2-CD2 4.09Å; T206-F279 HydrophobicContact CG2-CE2 4.11Å
207	D	95.3	Very high	92.1	Very high	11 Å²	11	57.5 Å²	57.5	6%	0.059	28%	0.283	C	S	.	.			trans	-61.7	113.3	179.9	-164.3	18.6	0	0	0	110.6	N210 W213 K275 R398	D207-N210 HydrophobicContact CB-CB 4Å; D207-N210 PolarHBondContact O-N 3.17Å; D207-N210 PolarHBondContact OD2-ND2 2.72Å; D207-W213 HydrophobicContact CB-CD2 3.76Å; D207-W213 HydrophobicContact CB-CE3 4.11Å; D207-W213 HydrophobicContact CB-CG 4.17Å; D207-W213 HydrophobicContact CB-CH2 4.08Å; D207-W213 HydrophobicContact CB-CZ2 3.83Å; D207-W213 HydrophobicContact CB-CZ3 4.26Å; D207-W213 VanDerWaalsContact N-CE3 3.34Å; D207-K275 HydrophobicContact CB-CD 4.27Å; D207-K275 WeakPolarHBondContact OD1-CD 3.34Å; D207-K275 WeakPolarHBondContact OD1-CE 3.15Å; D207-K275 IonicContact OD1-NZ 3.47Å; D207-K275 PolarHBondContact OD1-NZ 3.36Å; D207-R398 IonicContact OD2-NE 3.55Å; D207-R398 PolarHBondContact OD2-NE 3.49Å; D207-R398 IonicContact OD2-NH2 2.91Å
208	Q	92.2	Very high	92.2	Very high	78 Å²	78	59.6 Å²	59.6	36%	0.364	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	143.1	-175.2	-164.8	-179.8	20.2	0	0	110.7	D191 T206 N210	D191-Q208 WeakPolarHBondContact OD1-CG 3.49Å; D191-Q208 PolarHBondContact OD1-NE2 3.17Å; D191-Q208 PolarHBondContact OD2-NE2 2.82Å; T206-Q208 PolarHBondContact O-N 2.86Å; T206-Q208 VanDerWaalsContact O-N 3.13Å; Q208-N210 PolarHBondContact O-N 3.11Å; Q208-N210 VanDerWaalsContact O-N 3.14Å
209	H	86.1	Confident	92.5	Very high	173 Å²	173	58 Å²	58	80%	0.801	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	16.7	-179	-48.3	-60.2	0	0	0	114.7
210	N	90.4	Very high	92.8	Very high	29 Å²	29	57.7 Å²	57.7	16%	0.155	28%	0.284	C	S	.	.			trans	-106.5	96.6	175.3	-170.8	-17.8	0	0	0	109.9	D207 Q208 K212 W213 L214	D207-N210 HydrophobicContact CB-CB 4Å; D207-N210 PolarHBondContact O-N 3.17Å; D207-N210 PolarHBondContact OD2-ND2 2.72Å; Q208-N210 PolarHBondContact O-N 3.11Å; Q208-N210 VanDerWaalsContact O-N 3.14Å; N210-K212 PolarHBondContact O-N 2.97Å; N210-K212 VanDerWaalsContact O-N 3.1Å; N210-K212 WeakPolarHBondContact OD1-CB 3.43Å; N210-K212 PolarHBondContact OD1-N 3.14Å; N210-W213 VanDerWaalsContact CG-CD1 3.46Å; N210-W213 PolarHBondContact ND2-NE1 3Å; N210-W213 WeakPolarHBondContact O-CB 3.12Å; N210-W213 PolarHBondContact O-N 3.3Å; N210-L214 PolarHBondContact O-N 3.42Å
211	S	88.6	Confident	93.3	Very high	83 Å²	83	48.4 Å²	48.4	58%	0.58	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.1	-177.1	59.2	0	0	0	0	114.1	W213	S211-W213 PolarHBondContact O-N 2.57Å
212	K	90.1	Very high	93.8	Very high	79 Å²	79	41.8 Å²	41.8	34%	0.343	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-28.2	171.4	-59.4	-179.6	-179.3	-180	0	111.7	N210 K281 P401	N210-K212 PolarHBondContact O-N 2.97Å; N210-K212 VanDerWaalsContact O-N 3.1Å; N210-K212 WeakPolarHBondContact OD1-CB 3.43Å; N210-K212 PolarHBondContact OD1-N 3.14Å; K212-K281 WeakPolarHBondContact O-CE 3.29Å; K212-K281 PolarHBondContact O-NZ 3Å; K212-P401 HydrophobicContact CB-CG 3.98Å; K212-P401 WeakPolarHBondContact O-CG 3.17Å
213	W	95	Very high	94.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-59.9	-179.1	-72.1	53.7	0	0	0	110.9	T206 D207 N210 S211 L272 W276 F279 K281 R398 P401	T206-W213 HydrophobicContact CG2-CE3 3.91Å; T206-W213 HydrophobicContact CG2-CZ3 4.33Å; D207-W213 HydrophobicContact CB-CD2 3.76Å; D207-W213 HydrophobicContact CB-CE3 4.11Å; D207-W213 HydrophobicContact CB-CG 4.17Å; D207-W213 HydrophobicContact CB-CH2 4.08Å; D207-W213 HydrophobicContact CB-CZ2 3.83Å; D207-W213 HydrophobicContact CB-CZ3 4.26Å; D207-W213 VanDerWaalsContact N-CE3 3.34Å; N210-W213 VanDerWaalsContact CG-CD1 3.46Å; N210-W213 PolarHBondContact ND2-NE1 3Å; N210-W213 WeakPolarHBondContact O-CB 3.12Å; N210-W213 PolarHBondContact O-N 3.3Å; S211-W213 PolarHBondContact O-N 2.57Å; W213-L272 HydrophobicContact CH2-CD1 4.17Å; W213-L272 HydrophobicContact CH2-CD2 4.2Å; W213-L272 HydrophobicContact CZ2-CD1 4.12Å; W213-L272 HydrophobicContact CZ2-CD2 4.08Å; W213-W276 WeakPolarHBondContact CH2-O 3.35Å; W213-W276 HydrophobicContact CZ3-CB 4.11Å; W213-F279 HydrophobicContact CB-CE1 4.15Å; W213-F279 AromaticContact CD2-CD1 3.9Å; W213-F279 HydrophobicContact CD2-CD1 3.9Å; W213-F279 HydrophobicContact CD2-CE1 4.25Å; W213-F279 HydrophobicContact CE3-CB 4.17Å; W213-F279 AromaticContact CE3-CD1 3.51Å; W213-F279 HydrophobicContact CE3-CD1 3.51Å; W213-F279 HydrophobicContact CE3-CE1 4.05Å; W213-F279 AromaticContact CE3-CG 3.86Å; W213-F279 HydrophobicContact CE3-CG 3.86Å; W213-F279 HydrophobicContact CG-CD1 4.4Å; W213-F279 HydrophobicContact CG-CE1 4.32Å; W213-F279 HydrophobicContact CH2-CB 4.46Å; W213-F279 HydrophobicContact CZ3-CB 3.83Å; W213-F279 HydrophobicContact CZ3-CD1 4.06Å; W213-F279 HydrophobicContact CZ3-CG 4.04Å; W213-K281 WeakPolarHBondContact O-CD 3.43Å; W213-K281 WeakPolarHBondContact O-CE 3.25Å; W213-K281 PolarHBondContact O-NZ 2.97Å; W213-R398 PolarHBondContact NE1-O 2.77Å; W213-P401 HydrophobicContact CG-CG 4.36Å
214	L	95.5	Very high	94.4	Very high	21 Å²	21	41.7 Å²	41.7	11%	0.11	21%	0.212	C	C	.	.			trans	-139	134	179.2	-65.2	175.1	0	0	0	109.8	T206 N210 P217 F219 F240 F279	T206-L214 HydrophobicContact CG2-CD1 4.01Å; T206-L214 HydrophobicContact CG2-CG 4.49Å; T206-L214 WeakPolarHBondContact OG1-CD1 3.46Å; N210-L214 PolarHBondContact O-N 3.42Å; L214-P217 HydrophobicContact CB-CG 4.15Å; L214-P217 HydrophobicContact CD1-CG 4.44Å; L214-P217 HydrophobicContact CD2-CB 4.33Å; L214-P217 HydrophobicContact CD2-CG 4.31Å; L214-F219 HydrophobicContact CD1-CZ 4.21Å; L214-F240 HydrophobicContact CD2-CE1 4.44Å; L214-F240 HydrophobicContact CD2-CE2 3.84Å; L214-F240 HydrophobicContact CD2-CZ 3.78Å; L214-F279 HydrophobicContact CD2-CZ 4.41Å
215	S	93.3	Very high	94.3	Very high	16 Å²	16	42 Å²	42	11%	0.112	21%	0.214	C	C	.	.	S	Bend	trans	-130.6	99.9	178.5	-172.6	0	0	0	0	110.5	E242 R243	S215-E242 VanDerWaalsContact O-CB 3.32Å; S215-E242 WeakPolarHBondContact O-CB 3.15Å; S215-R243 WeakPolarHBondContact CB-O 3.38Å; S215-R243 PolarHBondContact O-N 3.26Å; S215-R243 PolarHBondContact OG-O 3.25Å
216	E	93.1	Very high	93.9	Very high	100 Å²	100	44.1 Å²	44.1	47%	0.467	23%	0.232	S	C	.	.	S	Bend	trans	42.4	56.4	-174.7	-62.9	-178.2	-168.4	0	0	113.5	Y184 R243	Y184-E216 WeakPolarHBondContact OH-CA 3.46Å; E216-R243 HydrophobicContact CB-CB 4.2Å; E216-R243 WeakPolarHBondContact OE2-CD 3.26Å; E216-R243 IonicContact OE2-CZ 3.9Å; E216-R243 IonicContact OE2-NE 2.74Å; E216-R243 IonicContact OE2-NH1 2.67Å; E216-R243 PolarHBondContact OE2-NH1 3.49Å
217	P	96	Very high	93.2	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.013	24%	0.241	C	C	.	.			trans	-74.3	144.3	-172.5	33.5	-37.8	0	0	0	112.2	Y184 A192 L214 F219 F240 R241	Y184-P217 WeakPolarHBondContact CE2-O 3.28Å; A192-P217 VanDerWaalsContact CB-CD 3.5Å; A192-P217 HydrophobicContact CB-CG 3.43Å; A192-P217 VanDerWaalsContact CB-CG 3.43Å; L214-P217 HydrophobicContact CB-CG 4.15Å; L214-P217 HydrophobicContact CD1-CG 4.44Å; L214-P217 HydrophobicContact CD2-CB 4.33Å; L214-P217 HydrophobicContact CD2-CG 4.31Å; P217-F219 HydrophobicContact CB-CE1 4.43Å; P217-F219 HydrophobicContact CB-CE2 4.22Å; P217-F219 HydrophobicContact CB-CZ 4.07Å; P217-F219 HydrophobicContact CG-CE2 3.77Å; P217-F219 HydrophobicContact CG-CZ 3.73Å; P217-F240 HydrophobicContact CB-CD2 3.82Å; P217-F240 HydrophobicContact CB-CE2 4.38Å; P217-F240 HydrophobicContact CB-CG 4.45Å; P217-R241 CarbonylContact C-O 3.46Å; P217-R241 VanDerWaalsContact CA-O 3.27Å; P217-R241 WeakPolarHBondContact CA-O 3.45Å
218	V	96.7	Very high	92.6	Very high	51 Å²	51	46.7 Å²	46.7	31%	0.309	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	108.3	163.9	-179.1	0	0	0	0	108.1	I220 F240 R241	V218-I220 HydrophobicContact CG1-CD1 4.2Å; V218-F240 WeakPolarHBondContact O-CA 3.17Å; V218-F240 WeakPolarHBondContact O-CB 3.07Å; V218-R241 HydrophobicContact CB-CG 3.84Å; V218-R241 HydrophobicContact CG2-CG 4.41Å; V218-R241 PolarHBondContact N-O 2.92Å; V218-R241 PolarHBondContact O-N 3.21Å
219	F	97.7	Very high	92.1	Very high	3 Å²	3	48.6 Å²	48.6	1%	0.013	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	135.8	-179.8	-59.3	-80.3	0	0	0	111.4	N169 V171 G182 I194 L214 P217 F240	N169-F219 WeakPolarHBondContact CB-O 3.49Å; N169-F219 PolarHBondContact ND2-O 3.27Å; N169-F219 VanDerWaalsContact ND2-O 3.09Å; V171-F219 HydrophobicContact CB-CB 4.14Å; V171-F219 HydrophobicContact CG2-CB 3.65Å; G182-F219 VanDerWaalsContact C-CE2 3.49Å; G182-F219 WeakPolarHBondContact O-CD2 3.16Å; I194-F219 HydrophobicContact CD1-CE1 4.15Å; I194-F219 HydrophobicContact CG1-CE1 3.71Å; I194-F219 HydrophobicContact CG1-CZ 4.19Å; L214-F219 HydrophobicContact CD1-CZ 4.21Å; P217-F219 HydrophobicContact CB-CE1 4.43Å; P217-F219 HydrophobicContact CB-CE2 4.22Å; P217-F219 HydrophobicContact CB-CZ 4.07Å; P217-F219 HydrophobicContact CG-CE2 3.77Å; P217-F219 HydrophobicContact CG-CZ 3.73Å; F219-F240 HydrophobicContact CD1-CB 3.97Å; F219-F240 HydrophobicContact CD1-CD1 4.41Å; F219-F240 HydrophobicContact CD1-CG 4.35Å; F219-F240 HydrophobicContact CE1-CD1 4.45Å; F219-F240 HydrophobicContact CE1-CG 4.47Å
220	I	97.6	Very high	92.1	Very high	24 Å²	24	42.4 Å²	42.4	12%	0.123	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-53.1	-175.8	-55.9	-58.3	0	0	0	111	V218 F239 L301 V304	V218-I220 HydrophobicContact CG1-CD1 4.2Å; I220-F239 PolarHBondContact N-O 3.48Å; I220-L301 HydrophobicContact CB-CD2 4.19Å; I220-L301 WeakPolarHBondContact CD1-O 3.49Å; I220-L301 HydrophobicContact CG1-CD2 4.07Å; I220-L301 HydrophobicContact CG1-CG 4.21Å; I220-L301 HydrophobicContact CG2-CD2 4.32Å; I220-L301 HydrophobicContact CG2-CG 4.33Å; I220-V304 HydrophobicContact CG2-CG2 4.22Å
221	D	97.3	Very high	91.9	Very high	27 Å²	27	46.2 Å²	46.2	14%	0.144	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	164.3	179.2	-163.4	22	0	0	0	112.5	Q223 F239 V304	D221-Q223 PolarHBondContact OD2-NE2 2.92Å; D221-F239 HydrophobicContact CB-CD2 4.42Å; D221-F239 PolarHBondContact N-O 3.29Å; D221-F239 PolarHBondContact O-N 3.49Å; D221-V304 HydrophobicContact CB-CB 4.09Å
222	A	97.6	Very high	91.8	Very high	2 Å²	2	46.1 Å²	46.1	2%	0.017	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	140.2	172.9	0	0	0	0	0	112.2	V171 V173 Y237 F238	V171-A222 HydrophobicContact CG1-CB 3.36Å; V171-A222 VanDerWaalsContact CG1-N 3.29Å; V173-A222 HydrophobicContact CG2-CB 3.86Å; V173-A222 WeakPolarHBondContact CG2-O 3.16Å; A222-Y237 CarbonylContact C-O 3.55Å; A222-Y237 WeakPolarHBondContact CA-O 3.41Å; A222-Y237 WeakPolarHBondContact CB-O 3.25Å; A222-F238 HydrophobicContact CB-CD1 3.61Å; A222-F238 HydrophobicContact CB-CE1 3.71Å; A222-F238 HydrophobicContact CB-CG 4.15Å; A222-F238 HydrophobicContact CB-CZ 4.34Å
223	Q	96.1	Very high	91.8	Very high	57 Å²	57	42.9 Å²	42.9	27%	0.266	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	138	-171.5	-60.9	-65.3	-13.7	0	0	111.4	D221 I225 Y237 L306	D221-Q223 PolarHBondContact OD2-NE2 2.92Å; Q223-I225 HydrophobicContact CB-CD1 4.37Å; Q223-I225 HydrophobicContact CB-CG1 4.17Å; Q223-Y237 PolarHBondContact N-O 3.18Å; Q223-Y237 PolarHBondContact O-N 3.28Å; Q223-L306 HydrophobicContact CB-CD2 3.84Å; Q223-L306 HydrophobicContact CG-CD1 3.84Å; Q223-L306 HydrophobicContact CG-CD2 3.75Å; Q223-L306 HydrophobicContact CG-CG 4.44Å
224	L	95.3	Very high	91.7	Very high	81 Å²	81	43.8 Å²	43.8	42%	0.424	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	115.8	172.3	-179.6	66.1	0	0	0	108.8	I175 A234 L236 P263	I175-L224 HydrophobicContact CD1-CB 4.43Å; I175-L224 HydrophobicContact CD1-CD1 3.96Å; I175-L224 HydrophobicContact CD1-CD2 4.12Å; I175-L224 HydrophobicContact CD1-CG 4.4Å; L224-A234 HydrophobicContact CD1-CB 4.1Å; L224-L236 HydrophobicContact CB-CD1 4.4Å; L224-P263 HydrophobicContact CD1-CG 3.93Å
225	I	93.2	Very high	91.7	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.036	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.6	-177.6	-50.5	173.4	0	0	0	109.2	Q223 K235 Y237 L306 L315 M338	Q223-I225 HydrophobicContact CB-CD1 4.37Å; Q223-I225 HydrophobicContact CB-CG1 4.17Å; I225-K235 PolarHBondContact N-O 3.17Å; I225-K235 PolarHBondContact O-N 3.37Å; I225-K235 VanDerWaalsContact O-O 3.11Å; I225-Y237 HydrophobicContact CB-CD2 3.67Å; I225-Y237 HydrophobicContact CB-CE2 3.77Å; I225-Y237 HydrophobicContact CD1-CD2 3.79Å; I225-Y237 HydrophobicContact CD1-CE2 4.39Å; I225-Y237 HydrophobicContact CD1-CG 4Å; I225-Y237 HydrophobicContact CG1-CD2 3.89Å; I225-Y237 HydrophobicContact CG1-CE2 4.45Å; I225-Y237 HydrophobicContact CG2-CE2 4.48Å; I225-L306 HydrophobicContact CD1-CD2 3.97Å; I225-L306 HydrophobicContact CG1-CD2 4.27Å; I225-L315 HydrophobicContact CD1-CD2 4.01Å; I225-L315 HydrophobicContact CG1-CD2 4.29Å; I225-L315 HydrophobicContact CG2-CD2 3.73Å; I225-M338 HydrophobicContact CB-CE 4.44Å; I225-M338 HydrophobicContact CD1-CE 4.2Å; I225-M338 HydrophobicContact CD1-SD 4.06Å; I225-M338 HydrophobicContact CG2-CE 3.9Å; I225-M338 HydrophobicContact CG2-CG 4.3Å; I225-M338 HydrophobicContact CG2-SD 4.23Å
226	P	87.4	Confident	91.9	Very high	81 Å²	81	42.4 Å²	42.4	53%	0.526	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	124.9	173.7	29.5	-31.9	0	0	0	111.5	G228	P226-G228 PolarHBondContact O-N 3.01Å
227	D	83.6	Confident	92.1	Very high	37 Å²	37	37.7 Å²	37.7	20%	0.198	23%	0.225	C	C	.	.	S	Bend	trans	-74.6	-11	174.1	-79.6	17.4	0	0	0	112.5	K235 Y237 R260 L342	D227-K235 VanDerWaalsContact CG-NZ 3.34Å; D227-K235 WeakPolarHBondContact OD2-CD 3.48Å; D227-K235 WeakPolarHBondContact OD2-CE 3.49Å; D227-K235 IonicContact OD2-NZ 2.67Å; D227-K235 PolarHBondContact OD2-NZ 3.43Å; D227-Y237 PolarHBondContact OD1-OH 2.92Å; D227-R260 IonicContact OD1-NH1 3.49Å; D227-R260 IonicContact OD2-CZ 3.29Å; D227-R260 IonicContact OD2-NH1 2.69Å; D227-R260 PolarHBondContact OD2-NH1 3.22Å; D227-L342 HydrophobicContact CB-CD2 4.08Å; D227-L342 WeakPolarHBondContact OD1-CD2 3.38Å
228	G	81	Confident	92.3	Very high	30 Å²	30	37.7 Å²	37.7	31%	0.309	23%	0.225	S	C	.	.	S	Bend	trans	-160.8	-160.4	-173.6	0	0	0	0	0	112.8	P226	P226-G228 PolarHBondContact O-N 3.01Å
229	T	83	Confident	92.4	Very high	117 Å²	117	35.3 Å²	35.3	72%	0.718	21%	0.21	S	C	*	.	S	Bend	trans	-87.3	-22	174.5	49.5	0	0	0	0	113.1	P231	T229-P231 WeakPolarHBondContact O-CD 3.43Å
230	D	85.8	Confident	92.4	Very high	44 Å²	44	35.2 Å²	35.2	24%	0.235	21%	0.21	C	C	.	.	S	Bend	trans	-74.4	123.1	179	-165.3	-43.8	0	0	0	109.6	N232 D233 A378	D230-N232 PolarHBondContact O-N 3.35Å; D230-N232 WeakPolarHBondContact OD1-CB 3.45Å; D230-N232 PolarHBondContact OD1-N 3.35Å; D230-D233 HydrophobicContact CB-CB 4.32Å; D230-D233 PolarHBondContact O-N 2.92Å; D230-D233 VanDerWaalsContact O-N 3.08Å; D230-A378 HydrophobicContact CB-CB 4.37Å
231	P	85.9	Confident	92.4	Very high	109 Å²	109	36.2 Å²	36.2	71%	0.708	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-57.8	-29.3	176.3	-24.4	34.8	0	0	0	113.9	T229 D233 A234	T229-P231 WeakPolarHBondContact O-CD 3.43Å; P231-D233 VanDerWaalsContact C-N 3.25Å; P231-D233 PolarHBondContact O-N 2.93Å; P231-A234 VanDerWaalsContact O-CB 3.31Å; P231-A234 WeakPolarHBondContact O-CB 3.42Å; P231-A234 PolarHBondContact O-N 3.33Å
232	N	87.5	Confident	92.2	Very high	81 Å²	81	35.3 Å²	35.3	43%	0.433	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-74.2	-16.7	179.3	-66.1	-31.7	0	0	0	112.8	D230 A234 C374 G376	D230-N232 PolarHBondContact O-N 3.35Å; D230-N232 WeakPolarHBondContact OD1-CB 3.45Å; D230-N232 PolarHBondContact OD1-N 3.35Å; N232-A234 VanDerWaalsContact C-N 3.28Å; N232-C374 VanDerWaalsContact O-CB 3.23Å; N232-C374 WeakPolarHBondContact O-CB 3.48Å; N232-G376 WeakPolarHBondContact CB-O 3.46Å; N232-G376 PolarHBondContact ND2-O 3.06Å
233	D	89	Confident	91.9	Very high	11 Å²	11	40 Å²	40	6%	0.059	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-85.1	-1.3	175.1	-76.6	-39.1	0	0	0	113.3	D230 P231 K235 G377 A378	D230-D233 HydrophobicContact CB-CB 4.32Å; D230-D233 PolarHBondContact O-N 2.92Å; D230-D233 VanDerWaalsContact O-N 3.08Å; P231-D233 VanDerWaalsContact C-N 3.25Å; P231-D233 PolarHBondContact O-N 2.93Å; D233-K235 PolarHBondContact O-N 3.5Å; D233-K235 PolarHBondContact O-NZ 2.97Å; D233-K235 VanDerWaalsContact O-NZ 3.13Å; D233-G377 WeakPolarHBondContact OD1-CA 3.3Å; D233-A378 WeakPolarHBondContact OD2-CB 3.46Å; D233-A378 PolarHBondContact OD2-N 2.88Å; D233-A378 VanDerWaalsContact OD2-N 3.09Å
234	A	92.3	Very high	91.3	Very high	18 Å²	18	39.3 Å²	39.3	15%	0.149	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	135.1	175.6	0	0	0	0	0	111.7	L224 P231 N232 P263	L224-A234 HydrophobicContact CD1-CB 4.1Å; P231-A234 VanDerWaalsContact O-CB 3.31Å; P231-A234 WeakPolarHBondContact O-CB 3.42Å; P231-A234 PolarHBondContact O-N 3.33Å; N232-A234 VanDerWaalsContact C-N 3.28Å; A234-P263 WeakPolarHBondContact O-CD 3.43Å
235	K	96	Very high	90.5	Very high	9 Å²	9	38.5 Å²	38.5	4%	0.039	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.7	-178.8	-68.9	-178.8	-169.6	67.7	0	110.5	I225 D227 D233 Y237 R260 V261 G372 C374	I225-K235 PolarHBondContact N-O 3.17Å; I225-K235 PolarHBondContact O-N 3.37Å; I225-K235 VanDerWaalsContact O-O 3.11Å; D227-K235 VanDerWaalsContact CG-NZ 3.34Å; D227-K235 WeakPolarHBondContact OD2-CD 3.48Å; D227-K235 WeakPolarHBondContact OD2-CE 3.49Å; D227-K235 IonicContact OD2-NZ 2.67Å; D227-K235 PolarHBondContact OD2-NZ 3.43Å; D233-K235 PolarHBondContact O-N 3.5Å; D233-K235 PolarHBondContact O-NZ 2.97Å; D233-K235 VanDerWaalsContact O-NZ 3.13Å; K235-Y237 HydrophobicContact CB-CD2 4.26Å; K235-Y237 HydrophobicContact CB-CE2 3.71Å; K235-Y237 WeakPolarHBondContact O-CD2 3.4Å; K235-R260 HydrophobicContact CB-CB 4.34Å; K235-R260 HydrophobicContact CD-CB 4.43Å; K235-R260 HydrophobicContact CD-CG 4.14Å; K235-V261 WeakPolarHBondContact CA-O 3.21Å; K235-G372 VanDerWaalsContact CE-O 3.31Å; K235-G372 WeakPolarHBondContact CE-O 3.19Å; K235-C374 VanDerWaalsContact CE-SG 3.59Å
236	L	97.8	Very high	89.6	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	116.1	171.9	-173.5	64.4	0	0	0	108.4	V173 I175 F180 L224 F238 R260 V261	V173-L236 HydrophobicContact CB-CD1 4.09Å; V173-L236 HydrophobicContact CG1-CD1 4.2Å; V173-L236 HydrophobicContact CG2-CD1 4.02Å; I175-L236 HydrophobicContact CD1-CD1 4.3Å; F180-L236 HydrophobicContact CB-CD2 3.3Å; F180-L236 HydrophobicContact CD1-CD2 3.62Å; F180-L236 HydrophobicContact CD2-CD2 4.35Å; F180-L236 HydrophobicContact CG-CD2 3.51Å; L224-L236 HydrophobicContact CB-CD1 4.4Å; L236-F238 HydrophobicContact CB-CE2 4.3Å; L236-F238 HydrophobicContact CD2-CE2 3.46Å; L236-F238 VanDerWaalsContact CD2-CE2 3.46Å; L236-F238 HydrophobicContact CD2-CZ 3.48Å; L236-F238 VanDerWaalsContact CD2-CZ 3.48Å; L236-F238 HydrophobicContact CG-CD2 4.31Å; L236-F238 HydrophobicContact CG-CE2 3.58Å; L236-F238 HydrophobicContact CG-CZ 3.97Å; L236-R260 VanDerWaalsContact O-CA 3.29Å; L236-R260 WeakPolarHBondContact O-CA 3.26Å; L236-V261 HydrophobicContact CB-CG2 4.03Å; L236-V261 PolarHBondContact N-O 3.49Å; L236-V261 PolarHBondContact O-N 2.85Å
237	Y	98.4	Very high	88.7	Confident	1 Å²	1	45.6 Å²	45.6	0%	0.004	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	137.3	178.8	-73.2	-99.3	0	0	0	110.2	A222 Q223 I225 D227 K235 V258 A259 R260 M338 I341 L342 F345	A222-Y237 CarbonylContact C-O 3.55Å; A222-Y237 WeakPolarHBondContact CA-O 3.41Å; A222-Y237 WeakPolarHBondContact CB-O 3.25Å; Q223-Y237 PolarHBondContact N-O 3.18Å; Q223-Y237 PolarHBondContact O-N 3.28Å; I225-Y237 HydrophobicContact CB-CD2 3.67Å; I225-Y237 HydrophobicContact CB-CE2 3.77Å; I225-Y237 HydrophobicContact CD1-CD2 3.79Å; I225-Y237 HydrophobicContact CD1-CE2 4.39Å; I225-Y237 HydrophobicContact CD1-CG 4Å; I225-Y237 HydrophobicContact CG1-CD2 3.89Å; I225-Y237 HydrophobicContact CG1-CE2 4.45Å; I225-Y237 HydrophobicContact CG2-CE2 4.48Å; D227-Y237 PolarHBondContact OD1-OH 2.92Å; K235-Y237 HydrophobicContact CB-CD2 4.26Å; K235-Y237 HydrophobicContact CB-CE2 3.71Å; K235-Y237 WeakPolarHBondContact O-CD2 3.4Å; Y237-V258 HydrophobicContact CD1-CG2 3.74Å; Y237-A259 CarbonylContact C-O 3.56Å; Y237-A259 WeakPolarHBondContact CA-O 3.4Å; Y237-R260 HydrophobicContact CD1-CB 3.85Å; Y237-R260 HydrophobicContact CE1-CB 3.72Å; Y237-R260 HydrophobicContact CE1-CG 4.35Å; Y237-R260 HydrophobicContact CE2-CB 4.41Å; Y237-R260 HydrophobicContact CG-CB 4.24Å; Y237-R260 WeakPolarHBondContact OH-CD 3.3Å; Y237-R260 PolarHBondContact OH-NH1 3.49Å; Y237-R260 VanDerWaalsContact OH-NH1 3.15Å; Y237-M338 HydrophobicContact CD1-CE 4.35Å; Y237-M338 HydrophobicContact CD2-CE 4.45Å; Y237-M338 HydrophobicContact CE1-CE 3.65Å; Y237-M338 HydrophobicContact CE2-CE 3.75Å; Y237-M338 WeakPolarHBondContact OH-CE 3.26Å; Y237-I341 HydrophobicContact CE1-CG2 4.29Å; Y237-L342 WeakPolarHBondContact OH-CD2 3.38Å; Y237-F345 HydrophobicContact CD1-CE2 4.47Å; Y237-F345 HydrophobicContact CE1-CD2 4.36Å; Y237-F345 AromaticContact CE1-CE2 3.79Å; Y237-F345 HydrophobicContact CE1-CE2 3.79Å; Y237-F345 HydrophobicContact CE1-CZ 4.46Å
238	F	98.7	Very high	87.9	Confident	1 Å²	1	50.5 Å²	50.5	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.5	175.3	-71.7	-94.4	0	0	0	109.5	F180 I194 A222 L236 F240 V258 A259 V261	F180-F238 HydrophobicContact CB-CZ 4.36Å; I194-F238 HydrophobicContact CD1-CB 3.96Å; I194-F238 HydrophobicContact CD1-CD1 4.29Å; I194-F238 HydrophobicContact CD1-CD2 3.94Å; I194-F238 HydrophobicContact CD1-CG 3.8Å; I194-F238 HydrophobicContact CG1-CD1 4.09Å; I194-F238 HydrophobicContact CG1-CD2 4.32Å; I194-F238 HydrophobicContact CG1-CE1 4.32Å; I194-F238 HydrophobicContact CG1-CG 4.1Å; I194-F238 HydrophobicContact CG2-CD2 3.97Å; I194-F238 HydrophobicContact CG2-CE1 4.08Å; I194-F238 HydrophobicContact CG2-CE2 3.45Å; I194-F238 VanDerWaalsContact CG2-CE2 3.45Å; I194-F238 HydrophobicContact CG2-CG 4.48Å; I194-F238 HydrophobicContact CG2-CZ 3.52Å; A222-F238 HydrophobicContact CB-CD1 3.61Å; A222-F238 HydrophobicContact CB-CE1 3.71Å; A222-F238 HydrophobicContact CB-CG 4.15Å; A222-F238 HydrophobicContact CB-CZ 4.34Å; L236-F238 HydrophobicContact CB-CE2 4.3Å; L236-F238 HydrophobicContact CD2-CE2 3.46Å; L236-F238 VanDerWaalsContact CD2-CE2 3.46Å; L236-F238 HydrophobicContact CD2-CZ 3.48Å; L236-F238 VanDerWaalsContact CD2-CZ 3.48Å; L236-F238 HydrophobicContact CG-CD2 4.31Å; L236-F238 HydrophobicContact CG-CE2 3.58Å; L236-F238 HydrophobicContact CG-CZ 3.97Å; F238-F240 HydrophobicContact CB-CD1 4.4Å; F238-V258 CarbonylContact O-C 3.53Å; F238-V258 WeakPolarHBondContact O-CA 3.12Å; F238-A259 PolarHBondContact N-O 3.21Å; F238-A259 PolarHBondContact O-N 2.04Å; F238-V261 HydrophobicContact CE2-CG2 4.13Å
239	F	98.7	Very high	87.2	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.009	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.9	176.6	-58.2	-88.5	0	0	0	109.5	I220 D221 V258 M284 L301 V304 V317	I220-F239 PolarHBondContact N-O 3.48Å; D221-F239 HydrophobicContact CB-CD2 4.42Å; D221-F239 PolarHBondContact N-O 3.29Å; D221-F239 PolarHBondContact O-N 3.49Å; F239-V258 HydrophobicContact CD1-CB 3.95Å; F239-V258 HydrophobicContact CD1-CG2 3.85Å; F239-V258 HydrophobicContact CE1-CB 3.97Å; F239-V258 HydrophobicContact CE1-CG2 3.54Å; F239-V258 HydrophobicContact CZ-CG2 4.05Å; F239-M284 HydrophobicContact CD1-SD 3.92Å; F239-M284 HydrophobicContact CE1-SD 4.05Å; F239-L301 HydrophobicContact CB-CD2 4.01Å; F239-V304 HydrophobicContact CB-CG2 3.89Å; F239-V304 HydrophobicContact CD1-CG2 4.31Å; F239-V304 HydrophobicContact CD2-CG1 4.16Å; F239-V304 HydrophobicContact CD2-CG2 4.45Å; F239-V304 HydrophobicContact CE2-CG1 4.22Å; F239-V304 HydrophobicContact CG-CG1 4.34Å; F239-V304 HydrophobicContact CG-CG2 3.97Å; F239-V304 HydrophobicContact CZ-CG1 4.45Å; F239-V317 HydrophobicContact CE1-CG1 3.95Å; F239-V317 HydrophobicContact CZ-CG1 4.05Å
240	F	98.5	Very high	86.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	163	-177.8	58.5	-83.6	0	0	0	111	L214 P217 V218 F219 F238 E242 M257 A259 K281	L214-F240 HydrophobicContact CD2-CE1 4.44Å; L214-F240 HydrophobicContact CD2-CE2 3.84Å; L214-F240 HydrophobicContact CD2-CZ 3.78Å; P217-F240 HydrophobicContact CB-CD2 3.82Å; P217-F240 HydrophobicContact CB-CE2 4.38Å; P217-F240 HydrophobicContact CB-CG 4.45Å; V218-F240 WeakPolarHBondContact O-CA 3.17Å; V218-F240 WeakPolarHBondContact O-CB 3.07Å; F219-F240 HydrophobicContact CD1-CB 3.97Å; F219-F240 HydrophobicContact CD1-CD1 4.41Å; F219-F240 HydrophobicContact CD1-CG 4.35Å; F219-F240 HydrophobicContact CE1-CD1 4.45Å; F219-F240 HydrophobicContact CE1-CG 4.47Å; F238-F240 HydrophobicContact CB-CD1 4.4Å; F240-E242 HydrophobicContact CD2-CB 4.33Å; F240-E242 HydrophobicContact CE2-CB 4.27Å; F240-M257 HydrophobicContact CD2-CB 4.07Å; F240-M257 HydrophobicContact CD2-CG 4.49Å; F240-M257 HydrophobicContact CE1-CB 4.11Å; F240-M257 HydrophobicContact CE2-CB 3.64Å; F240-M257 HydrophobicContact CE2-CG 3.98Å; F240-M257 HydrophobicContact CG-CB 4.48Å; F240-M257 HydrophobicContact CZ-CB 3.67Å; F240-M257 HydrophobicContact CZ-CG 4.37Å; F240-M257 PolarHBondContact N-O 2.98Å; F240-M257 PolarHBondContact O-N 3.01Å; F240-M257 VanDerWaalsContact O-O 3.05Å; F240-A259 HydrophobicContact CE1-CB 3.62Å; F240-A259 HydrophobicContact CZ-CB 4.18Å; F240-K281 HydrophobicContact CZ-CD 4.18Å
241	R	96.9	Very high	86.3	Confident	45 Å²	45	52.4 Å²	52.4	17%	0.17	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	145.4	163.7	60.1	178.2	177	-149.5	-21	109.8	P217 V218 I254 H255 E300 E302	P217-R241 CarbonylContact C-O 3.46Å; P217-R241 VanDerWaalsContact CA-O 3.27Å; P217-R241 WeakPolarHBondContact CA-O 3.45Å; V218-R241 HydrophobicContact CB-CG 3.84Å; V218-R241 HydrophobicContact CG2-CG 4.41Å; V218-R241 PolarHBondContact N-O 2.92Å; V218-R241 PolarHBondContact O-N 3.21Å; R241-I254 HydrophobicContact CB-CG2 4.09Å; R241-H255 CarbonylContact C-O 3.49Å; R241-H255 VanDerWaalsContact CA-O 3.26Å; R241-H255 WeakPolarHBondContact CA-O 3.48Å; R241-E300 IonicContact CZ-OE2 3.58Å; R241-E300 IonicContact NH1-OE2 3.94Å; R241-E300 PolarHBondContact NH1-OE2 3.2Å; R241-E302 IonicContact CZ-OE1 2.89Å; R241-E302 IonicContact NH1-OE1 3.18Å; R241-E302 PolarHBondContact NH1-OE1 3.02Å; R241-E302 IonicContact NH2-OE1 2.82Å
242	E	94.4	Very high	86.1	Confident	9 Å²	9	53 Å²	53	4%	0.042	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147.5	177.3	70.4	-179.7	177.3	0	0	111.3	S215 F240 I254 H255 M257 K281	S215-E242 VanDerWaalsContact O-CB 3.32Å; S215-E242 WeakPolarHBondContact O-CB 3.15Å; F240-E242 HydrophobicContact CD2-CB 4.33Å; F240-E242 HydrophobicContact CE2-CB 4.27Å; E242-I254 WeakPolarHBondContact O-CA 3.44Å; E242-H255 PolarHBondContact N-O 3.46Å; E242-H255 PolarHBondContact O-N 3.37Å; E242-M257 HydrophobicContact CG-CG 3.73Å; E242-K281 IonicContact OE1-NZ 2.72Å; E242-K281 PolarHBondContact OE1-NZ 3.44Å; E242-K281 IonicContact OE2-NZ 3.16Å; E242-K281 PolarHBondContact OE2-NZ 2.81Å
243	R	90.5	Very high	85.9	Confident	100 Å²	100	52.8 Å²	52.8	38%	0.377	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.7	177.9	-175.1	-178.1	-86	158.3	-8.5	109.3	S215 E216 T245 T251	S215-R243 WeakPolarHBondContact CB-O 3.38Å; S215-R243 PolarHBondContact O-N 3.26Å; S215-R243 PolarHBondContact OG-O 3.25Å; E216-R243 HydrophobicContact CB-CB 4.2Å; E216-R243 WeakPolarHBondContact OE2-CD 3.26Å; E216-R243 IonicContact OE2-CZ 3.9Å; E216-R243 IonicContact OE2-NE 2.74Å; E216-R243 IonicContact OE2-NH1 2.67Å; E216-R243 PolarHBondContact OE2-NH1 3.49Å; R243-T245 HydrophobicContact CG-CG2 4.3Å; R243-T251 WeakPolarHBondContact CD-OG1 3.22Å; R243-T251 HydrophobicContact CG-CG2 3.69Å; R243-T251 PolarHBondContact NE-OG1 3.19Å
244	L	84	Confident	86.1	Confident	42 Å²	42	53.6 Å²	53.6	22%	0.22	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	118	170.3	-62.6	-176.6	0	0	0	109.1	K252 N253 H255	L244-K252 WeakPolarHBondContact O-CB 3.48Å; L244-K252 PolarHBondContact O-N 2.79Å; L244-N253 HydrophobicContact CB-CB 4.44Å; L244-N253 WeakPolarHBondContact CB-O 3.48Å; L244-N253 HydrophobicContact CD1-CB 4.41Å; L244-N253 PolarHBondContact N-O 2.92Å; L244-N253 PolarHBondContact O-N 3.39Å; L244-H255 WeakPolarHBondContact CD1-CD2 3Å; L244-H255 WeakPolarHBondContact CD1-NE2 3.5Å
245	T	78.1	Confident	86.2	Confident	64 Å²	64	54 Å²	54	39%	0.393	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	144.5	177.1	50.6	0	0	0	0	111.4	R243 N250	R243-T245 HydrophobicContact CG-CG2 4.3Å; T245-N250 CarbonylContact C-O 3.59Å; T245-N250 VanDerWaalsContact CA-O 3.24Å; T245-N250 WeakPolarHBondContact CA-O 3.26Å
246	D	73.4	Confident	86.3	Confident	61 Å²	61	53.6 Å²	53.6	33%	0.326	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-78.6	173.2	167.3	-79	-32.8	0	0	0	110.7	D248 G249 N250 K252	D246-D248 PolarHBondContact O-N 2.76Å; D246-D248 VanDerWaalsContact O-N 3.09Å; D246-G249 PolarHBondContact O-N 3.35Å; D246-N250 PolarHBondContact N-O 2.82Å; D246-K252 WeakPolarHBondContact OD1-CB 3.49Å; D246-K252 WeakPolarHBondContact OD1-CD 3.14Å; D246-K252 WeakPolarHBondContact OD1-CE 3.05Å; D246-K252 WeakPolarHBondContact OD1-CG 3.34Å; D246-K252 IonicContact OD1-NZ 2.82Å; D246-K252 PolarHBondContact OD1-NZ 2.91Å; D246-K252 WeakPolarHBondContact OD2-CG 3.43Å; D246-K252 IonicContact OD2-NZ 2.71Å
247	N	69.3	Low	86.3	Confident	176 Å²	176	53.8 Å²	53.8	94%	0.941	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.8	-178.8	-67.9	-16.9	0	0	0	113.3	G249	N247-G249 VanDerWaalsContact C-N 3.3Å
248	D	67.6	Low	86.3	Confident	141 Å²	141	53.8 Å²	53.8	75%	0.754	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	6.2	177.2	-59.7	-36	0	0	0	113.5	D246 N250	D246-D248 PolarHBondContact O-N 2.76Å; D246-D248 VanDerWaalsContact O-N 3.09Å; D248-N250 PolarHBondContact O-N 3.41Å
249	G	66.4	Low	86.3	Confident	53 Å²	53	53.7 Å²	53.7	55%	0.546	29%	0.286	S	S	.	.	S	Bend	trans	77.1	-0.5	-178.6	0	0	0	0	0	114.8	D246 N247	D246-G249 PolarHBondContact O-N 3.35Å; N247-G249 VanDerWaalsContact C-N 3.3Å
250	N	73.6	Confident	86.2	Confident	107 Å²	107	54 Å²	54	57%	0.572	29%	0.287	S	S	*	.			trans	-71.3	146	175.3	-71.8	-35.4	0	0	0	111.4	T245 D246 D248 K252	T245-N250 CarbonylContact C-O 3.59Å; T245-N250 VanDerWaalsContact CA-O 3.24Å; T245-N250 WeakPolarHBondContact CA-O 3.26Å; D246-N250 PolarHBondContact N-O 2.82Å; D248-N250 PolarHBondContact O-N 3.41Å; N250-K252 PolarHBondContact O-N 3.46Å; N250-K252 VanDerWaalsContact O-N 3.15Å
251	T	75.9	Confident	86.2	Confident	70 Å²	70	54.1 Å²	54.1	43%	0.429	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	113	173.7	-58.4	0	0	0	0	109.2	R243 I254	R243-T251 WeakPolarHBondContact CD-OG1 3.22Å; R243-T251 HydrophobicContact CG-CG2 3.69Å; R243-T251 PolarHBondContact NE-OG1 3.19Å; T251-I254 HydrophobicContact CG2-CG1 4.38Å
252	K	80.3	Confident	86.2	Confident	122 Å²	122	52 Å²	52	53%	0.53	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-56.8	172.9	-166.5	-164.7	-155.4	109.3	0	110.3	L244 D246 N250	L244-K252 WeakPolarHBondContact O-CB 3.48Å; L244-K252 PolarHBondContact O-N 2.79Å; D246-K252 WeakPolarHBondContact OD1-CB 3.49Å; D246-K252 WeakPolarHBondContact OD1-CD 3.14Å; D246-K252 WeakPolarHBondContact OD1-CE 3.05Å; D246-K252 WeakPolarHBondContact OD1-CG 3.34Å; D246-K252 IonicContact OD1-NZ 2.82Å; D246-K252 PolarHBondContact OD1-NZ 2.91Å; D246-K252 WeakPolarHBondContact OD2-CG 3.43Å; D246-K252 IonicContact OD2-NZ 2.71Å; N250-K252 PolarHBondContact O-N 3.46Å; N250-K252 VanDerWaalsContact O-N 3.15Å
253	N	84.2	Confident	86.2	Confident	77 Å²	77	52.6 Å²	52.6	41%	0.412	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	158	-174.5	-76.3	-31.2	0	0	0	110.5	L244	L244-N253 HydrophobicContact CB-CB 4.44Å; L244-N253 WeakPolarHBondContact CB-O 3.48Å; L244-N253 HydrophobicContact CD1-CB 4.41Å; L244-N253 PolarHBondContact N-O 2.92Å; L244-N253 PolarHBondContact O-N 3.39Å
254	I	92.8	Very high	86.4	Confident	28 Å²	28	50 Å²	50	14%	0.144	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.7	164.8	-64.5	172.8	0	0	0	106.9	R241 E242 T251 D299 E300 T324	R241-I254 HydrophobicContact CB-CG2 4.09Å; E242-I254 WeakPolarHBondContact O-CA 3.44Å; T251-I254 HydrophobicContact CG2-CG1 4.38Å; I254-D299 WeakPolarHBondContact O-CB 3.49Å; I254-E300 HydrophobicContact CD1-CG 4.34Å; I254-E300 HydrophobicContact CG2-CG 4.29Å; I254-T324 HydrophobicContact CB-CG2 3.96Å; I254-T324 HydrophobicContact CD1-CG2 4.12Å; I254-T324 HydrophobicContact CG1-CG2 4.41Å
255	H	94.2	Very high	86.9	Confident	27 Å²	27	48 Å²	48	13%	0.125	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.5	174.3	-74.4	-15.2	0	0	0	110.6	R241 E242 L244 M257 R283	R241-H255 CarbonylContact C-O 3.49Å; R241-H255 VanDerWaalsContact CA-O 3.26Å; R241-H255 WeakPolarHBondContact CA-O 3.48Å; E242-H255 PolarHBondContact N-O 3.46Å; E242-H255 PolarHBondContact O-N 3.37Å; L244-H255 WeakPolarHBondContact CD1-CD2 3Å; L244-H255 WeakPolarHBondContact CD1-NE2 3.5Å; H255-M257 HydrophobicContact CB-SD 3.96Å; H255-R283 HydrophobicContact CB-CG 4.48Å; H255-R283 PolarHBondContact CE1-NH1 2.77Å; H255-R283 PolarHBondContact CE1-NH2 2.83Å; H255-R283 PolarHBondContact ND1-NE 3.04Å
256	T	97.9	Very high	87.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	132.4	164	-65.4	0	0	0	0	109.5	R283 M284 D299 L301 F321	T256-R283 WeakPolarHBondContact O-CA 3.42Å; T256-M284 HydrophobicContact CG2-CB 4.08Å; T256-M284 PolarHBondContact O-N 2.93Å; T256-D299 PolarHBondContact N-O 3.3Å; T256-D299 PolarHBondContact OG1-O 2.9Å; T256-L301 HydrophobicContact CG2-CB 3.57Å; T256-L301 HydrophobicContact CG2-CD2 3.65Å; T256-L301 HydrophobicContact CG2-CG 4.12Å; T256-L301 WeakPolarHBondContact OG1-CB 3.09Å; T256-L301 PolarHBondContact OG1-N 2.75Å; T256-F321 HydrophobicContact CG2-CE1 3.8Å; T256-F321 HydrophobicContact CG2-CZ 4.48Å
257	M	98	Very high	88.8	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.02	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.3	-176.2	-55.5	-58.2	-72.8	0	0	110.6	F240 E242 H255 K281 A282 R283 V402	F240-M257 HydrophobicContact CD2-CB 4.07Å; F240-M257 HydrophobicContact CD2-CG 4.49Å; F240-M257 HydrophobicContact CE1-CB 4.11Å; F240-M257 HydrophobicContact CE2-CB 3.64Å; F240-M257 HydrophobicContact CE2-CG 3.98Å; F240-M257 HydrophobicContact CG-CB 4.48Å; F240-M257 HydrophobicContact CZ-CB 3.67Å; F240-M257 HydrophobicContact CZ-CG 4.37Å; F240-M257 PolarHBondContact N-O 2.98Å; F240-M257 PolarHBondContact O-N 3.01Å; F240-M257 VanDerWaalsContact O-O 3.05Å; E242-M257 HydrophobicContact CG-CG 3.73Å; H255-M257 HydrophobicContact CB-SD 3.96Å; M257-K281 HydrophobicContact CE-CB 4.19Å; M257-K281 HydrophobicContact CE-CD 3.68Å; M257-K281 HydrophobicContact CE-CG 3.71Å; M257-A282 WeakPolarHBondContact CA-O 3.35Å; M257-R283 HydrophobicContact CE-CB 4.49Å; M257-R283 HydrophobicContact SD-CB 3.96Å; M257-R283 HydrophobicContact SD-CG 4.36Å; M257-V402 HydrophobicContact CE-CG1 4.43Å
258	V	98.6	Very high	90	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.2	160.3	58.6	0	0	0	0	108	Y237 F238 F239 K281 A282 M284 F345 I407	Y237-V258 HydrophobicContact CD1-CG2 3.74Å; F238-V258 CarbonylContact O-C 3.53Å; F238-V258 WeakPolarHBondContact O-CA 3.12Å; F239-V258 HydrophobicContact CD1-CB 3.95Å; F239-V258 HydrophobicContact CD1-CG2 3.85Å; F239-V258 HydrophobicContact CE1-CB 3.97Å; F239-V258 HydrophobicContact CE1-CG2 3.54Å; F239-V258 HydrophobicContact CZ-CG2 4.05Å; V258-K281 CarbonylContact O-C 3.46Å; V258-K281 VanDerWaalsContact O-CA 3.23Å; V258-K281 WeakPolarHBondContact O-CA 3.43Å; V258-A282 HydrophobicContact CG1-CB 4.45Å; V258-A282 PolarHBondContact N-O 3.26Å; V258-A282 PolarHBondContact O-N 3.25Å; V258-M284 HydrophobicContact CB-CG 4.2Å; V258-M284 HydrophobicContact CB-SD 3.78Å; V258-M284 HydrophobicContact CG1-CG 3.8Å; V258-M284 HydrophobicContact CG1-SD 3.92Å; V258-F345 HydrophobicContact CG1-CE2 4.17Å; V258-F345 HydrophobicContact CG1-CZ 4.14Å; V258-I407 HydrophobicContact CG1-CD1 3.37Å
259	A	98.6	Very high	91.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	159.5	171.2	0	0	0	0	0	111.3	Y237 F238 F240 F279 L280 K281	Y237-A259 CarbonylContact C-O 3.56Å; Y237-A259 WeakPolarHBondContact CA-O 3.4Å; F238-A259 PolarHBondContact N-O 3.21Å; F238-A259 PolarHBondContact O-N 2.04Å; F240-A259 HydrophobicContact CE1-CB 3.62Å; F240-A259 HydrophobicContact CZ-CB 4.18Å; A259-F279 HydrophobicContact CB-CD2 4.38Å; A259-F279 HydrophobicContact CB-CE2 3.56Å; A259-F279 HydrophobicContact CB-CZ 3.96Å; A259-L280 CarbonylContact C-O 3.52Å; A259-L280 WeakPolarHBondContact CA-O 3.44Å; A259-L280 WeakPolarHBondContact CB-O 3.4Å; A259-K281 HydrophobicContact CB-CB 3.8Å
260	R	97.9	Very high	92.5	Very high	9 Å²	9	40.7 Å²	40.7	3%	0.034	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.4	175.2	68.8	-173.1	-167.9	163.1	7.7	112.1	D227 K235 L236 Y237 F279 L280 F345	D227-R260 IonicContact OD1-NH1 3.49Å; D227-R260 IonicContact OD2-CZ 3.29Å; D227-R260 IonicContact OD2-NH1 2.69Å; D227-R260 PolarHBondContact OD2-NH1 3.22Å; K235-R260 HydrophobicContact CB-CB 4.34Å; K235-R260 HydrophobicContact CD-CB 4.43Å; K235-R260 HydrophobicContact CD-CG 4.14Å; L236-R260 VanDerWaalsContact O-CA 3.29Å; L236-R260 WeakPolarHBondContact O-CA 3.26Å; Y237-R260 HydrophobicContact CD1-CB 3.85Å; Y237-R260 HydrophobicContact CE1-CB 3.72Å; Y237-R260 HydrophobicContact CE1-CG 4.35Å; Y237-R260 HydrophobicContact CE2-CB 4.41Å; Y237-R260 HydrophobicContact CG-CB 4.24Å; Y237-R260 WeakPolarHBondContact OH-CD 3.3Å; Y237-R260 PolarHBondContact OH-NH1 3.49Å; Y237-R260 VanDerWaalsContact OH-NH1 3.15Å; R260-F279 WeakPolarHBondContact O-CA 3.48Å; R260-L280 PolarHBondContact N-O 2.78Å; R260-L280 PolarHBondContact O-N 2.8Å; R260-F345 HydrophobicContact CB-CZ 4.43Å; R260-F345 HydrophobicContact CG-CD1 4.19Å; R260-F345 HydrophobicContact CG-CE1 3.84Å; R260-F345 HydrophobicContact CG-CE2 4.41Å; R260-F345 HydrophobicContact CG-CZ 3.96Å; R260-F345 VanDerWaalsContact CZ-CG 3.46Å; R260-F345 VanDerWaalsContact NE-CG 3.31Å; R260-F345 VanDerWaalsContact NH2-CB 3.28Å
261	V	97.9	Very high	93.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152.3	174.4	-64.5	0	0	0	0	110.5	K235 L236 F238 W276 F279	K235-V261 WeakPolarHBondContact CA-O 3.21Å; L236-V261 HydrophobicContact CB-CG2 4.03Å; L236-V261 PolarHBondContact N-O 3.49Å; L236-V261 PolarHBondContact O-N 2.85Å; F238-V261 HydrophobicContact CE2-CG2 4.13Å; V261-W276 HydrophobicContact CB-CD2 4.35Å; V261-W276 HydrophobicContact CB-CE3 4.14Å; V261-W276 HydrophobicContact CB-CZ3 4.49Å; V261-W276 HydrophobicContact CG1-CB 4.43Å; V261-W276 HydrophobicContact CG1-CD2 4.03Å; V261-W276 HydrophobicContact CG1-CE3 4.31Å; V261-W276 HydrophobicContact CG1-CG 4.06Å; V261-W276 HydrophobicContact CG2-CZ3 4.48Å; V261-F279 HydrophobicContact CG1-CB 4Å; V261-F279 HydrophobicContact CG1-CD2 3.8Å; V261-F279 HydrophobicContact CG1-CG 4.41Å
262	C	96.2	Very high	94.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.162	C	C	.	.			trans	-80.6	125.3	171.4	-61.3	0	0	0	0	109.8	N264 D265 T278 C374	C262-N264 PolarHBondContact O-N 2.99Å; C262-D265 HydrophobicContact CB-CB 4.34Å; C262-D265 WeakPolarHBondContact O-CB 3.39Å; C262-D265 PolarHBondContact O-N 2.05Å; C262-D265 VanDerWaalsContact O-N 3.07Å; C262-T278 HydrophobicContact CB-CG2 3.95Å; C262-T278 PolarHBondContact N-OG1 2.83Å; C262-C374 HydrophobicContact CB-CB 3.73Å; C262-C374 WeakPolarHBondContact CB-SG 3.46Å; C262-C374 WeakPolarHBondContact SG-CA 3.14Å; C262-C374 WeakPolarHBondContact SG-CB 3.4Å; C262-C374 CovalentContact SG-SG 2.03Å; C262-C374 PolarHBondContact SG-SG 3.41Å
263	P	95	Very high	95.1	Very high	22 Å²	22	32 Å²	32	14%	0.143	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.3	-178.4	-26.2	35	0	0	0	113.5	I175 F180 R196 L224 A234 D265	I175-P263 HydrophobicContact CD1-CB 4.48Å; I175-P263 HydrophobicContact CD1-CG 4.4Å; F180-P263 HydrophobicContact CE1-CB 4.44Å; F180-P263 HydrophobicContact CZ-CB 4.1Å; R196-P263 PolarHBondContact NH1-O 2.84Å; L224-P263 HydrophobicContact CD1-CG 3.93Å; A234-P263 WeakPolarHBondContact O-CD 3.43Å; P263-D265 VanDerWaalsContact C-N 3.31Å; P263-D265 PolarHBondContact O-N 3Å
264	N	93.5	Very high	95.6	Very high	46 Å²	46	31.2 Å²	31.2	25%	0.246	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	0.8	-179.6	65.8	-6.4	0	0	0	114.3	C262 T266 P375	C262-N264 PolarHBondContact O-N 2.99Å; N264-T266 PolarHBondContact O-N 2.9Å; N264-P375 PolarHBondContact ND2-O 3.14Å; N264-P375 WeakPolarHBondContact OD1-CD 3.5Å
265	D	95.6	Very high	95.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.			trans	-64.6	124	-179.8	-174.5	-8.8	0	0	0	111.7	R196 C262 P263 G267 W276 T277 T278 T386	R196-D265 PolarHBondContact NH1-O 3.46Å; R196-D265 PolarHBondContact NH2-O 2.79Å; C262-D265 HydrophobicContact CB-CB 4.34Å; C262-D265 WeakPolarHBondContact O-CB 3.39Å; C262-D265 PolarHBondContact O-N 2.05Å; C262-D265 VanDerWaalsContact O-N 3.07Å; P263-D265 VanDerWaalsContact C-N 3.31Å; P263-D265 PolarHBondContact O-N 3Å; D265-G267 PolarHBondContact OD1-N 3.46Å; D265-W276 HydrophobicContact CB-CE3 3.84Å; D265-W276 HydrophobicContact CB-CZ3 3.98Å; D265-T277 VanDerWaalsContact CG-OG1 3.29Å; D265-T277 PolarHBondContact OD1-OG1 2.9Å; D265-T277 PolarHBondContact OD2-N 2.82Å; D265-T277 PolarHBondContact OD2-OG1 2.84Å; D265-T278 HydrophobicContact CB-CG2 4.34Å; D265-T278 WeakPolarHBondContact OD2-CB 3.5Å; D265-T278 PolarHBondContact OD2-N 2.84Å; D265-T278 PolarHBondContact OD2-OG1 3.33Å; D265-T386 HydrophobicContact CB-CG2 4.12Å; D265-T386 WeakPolarHBondContact OD1-CG2 3.41Å; D265-T386 PolarHBondContact OD1-OG1 2.8Å
266	T	94.9	Very high	96	Very high	26 Å²	26	31.3 Å²	31.3	16%	0.16	15%	0.153	C	C	.	.			trans	-104.8	6.5	-178.2	50.7	0	0	0	0	113.9	N264 T385 T386	N264-T266 PolarHBondContact O-N 2.9Å; T266-T385 PolarHBondContact OG1-OG1 3.27Å; T266-T385 VanDerWaalsContact OG1-OG1 3.06Å; T266-T386 PolarHBondContact N-OG1 3.39Å; T266-T386 PolarHBondContact OG1-OG1 2.68Å
267	G	95.9	Very high	96	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.			trans	77.1	171.2	-169.8	0	0	0	0	0	113.9	D265 K275 T386	D265-G267 PolarHBondContact OD1-N 3.46Å; G267-K275 WeakPolarHBondContact CA-O 3.33Å; G267-T386 PolarHBondContact N-OG1 2.88Å; G267-T386 PolarHBondContact O-OG1 3.35Å
268	G	95.5	Very high	95.9	Very high	3 Å²	3	31.2 Å²	31.2	3%	0.031	15%	0.153	C	C	.	.			trans	-81.9	162.5	-175.3	0	0	0	0	0	113.2	S271 L272 T277	G268-S271 CarbonylContact C-O 3.57Å; G268-S271 VanDerWaalsContact CA-O 3.24Å; G268-S271 WeakPolarHBondContact CA-O 3.28Å; G268-L272 PolarHBondContact N-O 3.41Å; G268-T277 VanDerWaalsContact N-CG2 3.26Å
269	Q	94.1	Very high	95.9	Very high	122 Å²	122	31.2 Å²	31.2	57%	0.57	15%	0.153	S	C	*	.	S	Bend	trans	-75.2	-41.7	-177.7	-179.7	64.9	10.8	0	0	113.2	K387	Q269-K387 HydrophobicContact CB-CB 4.27Å; Q269-K387 WeakPolarHBondContact CB-O 3.44Å
270	R	92.3	Very high	95.9	Very high	191 Å²	191	31.2 Å²	31.2	72%	0.721	15%	0.153	S	C	*	.	S	Bend	trans	-120.3	-54.8	-177.1	-63.5	174.9	179	166.8	-3.4	111.9	V273 D391	R270-V273 WeakPolarHBondContact O-CG2 3.2Å; R270-D391 IonicContact NH1-OD2 2.68Å; R270-D391 PolarHBondContact NH1-OD2 3.23Å
271	S	92.9	Very high	95.9	Very high	31 Å²	31	31 Å²	31	22%	0.217	15%	0.152	C	C	.	.	S	Bend	trans	-87.4	152.9	168.9	-78.9	0	0	0	0	110.4	G268 V273 N395	G268-S271 CarbonylContact C-O 3.57Å; G268-S271 VanDerWaalsContact CA-O 3.24Å; G268-S271 WeakPolarHBondContact CA-O 3.28Å; S271-V273 PolarHBondContact O-N 3.31Å; S271-V273 VanDerWaalsContact O-N 3.17Å; S271-N395 PolarHBondContact OG-OD1 3.25Å; S271-N395 VanDerWaalsContact OG-OD1 3.11Å
272	L	95.1	Very high	96	Very high	9 Å²	9	30.9 Å²	30.9	5%	0.047	15%	0.152	C	C	.	.	S	Bend	trans	52.1	36.7	178.7	-63.5	-177.9	0	0	0	113.9	W213 G268 N274 K275 T277 V394 R398	W213-L272 HydrophobicContact CH2-CD1 4.17Å; W213-L272 HydrophobicContact CH2-CD2 4.2Å; W213-L272 HydrophobicContact CZ2-CD1 4.12Å; W213-L272 HydrophobicContact CZ2-CD2 4.08Å; G268-L272 PolarHBondContact N-O 3.41Å; L272-N274 PolarHBondContact O-N 3.23Å; L272-K275 HydrophobicContact CB-CB 3.99Å; L272-K275 HydrophobicContact CD2-CB 3.94Å; L272-K275 HydrophobicContact CD2-CD 3.85Å; L272-K275 PolarHBondContact O-N 3.46Å; L272-K275 VanDerWaalsContact O-O 3.09Å; L272-T277 HydrophobicContact CB-CG2 4.2Å; L272-T277 HydrophobicContact CD1-CG2 4.43Å; L272-V394 HydrophobicContact CB-CG1 3.93Å; L272-V394 HydrophobicContact CD1-CG1 3.87Å; L272-V394 HydrophobicContact CG-CG1 3.96Å; L272-R398 HydrophobicContact CD1-CB 4.07Å; L272-R398 HydrophobicContact CD2-CB 4.32Å; L272-R398 HydrophobicContact CD2-CG 4.03Å; L272-R398 HydrophobicContact CG-CB 4.39Å
273	V	95.7	Very high	96	Very high	75 Å²	75	33.9 Å²	33.9	46%	0.455	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	128.1	172.2	-178.3	0	0	0	0	108.9	R270 S271 K275	R270-V273 WeakPolarHBondContact O-CG2 3.2Å; S271-V273 PolarHBondContact O-N 3.31Å; S271-V273 VanDerWaalsContact O-N 3.17Å; V273-K275 PolarHBondContact O-N 2.93Å
274	N	95.1	Very high	96.2	Very high	62 Å²	62	33 Å²	33	33%	0.332	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	25.2	-175.7	-57.4	-23.4	0	0	0	113.6	N202 A203 V204 R205 L272	N202-N274 WeakPolarHBondContact CB-OD1 3.21Å; N202-N274 PolarHBondContact ND2-OD1 3.15Å; N202-N274 VanDerWaalsContact ND2-OD1 3.09Å; A203-N274 WeakPolarHBondContact O-CB 3.4Å; V204-N274 WeakPolarHBondContact CA-O 3.28Å; R205-N274 PolarHBondContact N-O 3.19Å; R205-N274 VanDerWaalsContact N-O 3.11Å; L272-N274 PolarHBondContact O-N 3.23Å
275	K	97.2	Very high	96.4	Very high	56 Å²	56	31 Å²	31	24%	0.243	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-127.2	149	175.3	-64.1	172.6	-177.9	178.4	0	110.6	V204 R205 D207 G267 L272 V273 T277	V204-K275 VanDerWaalsContact CG1-C 3.44Å; R205-K275 CarbonylContact O-C 3.24Å; R205-K275 WeakPolarHBondContact O-CA 3.44Å; R205-K275 WeakPolarHBondContact O-CB 3.26Å; D207-K275 HydrophobicContact CB-CD 4.27Å; D207-K275 WeakPolarHBondContact OD1-CD 3.34Å; D207-K275 WeakPolarHBondContact OD1-CE 3.15Å; D207-K275 IonicContact OD1-NZ 3.47Å; D207-K275 PolarHBondContact OD1-NZ 3.36Å; G267-K275 WeakPolarHBondContact CA-O 3.33Å; L272-K275 HydrophobicContact CB-CB 3.99Å; L272-K275 HydrophobicContact CD2-CB 3.94Å; L272-K275 HydrophobicContact CD2-CD 3.85Å; L272-K275 PolarHBondContact O-N 3.46Å; L272-K275 VanDerWaalsContact O-O 3.09Å; V273-K275 PolarHBondContact O-N 2.93Å; K275-T277 PolarHBondContact O-N 2.62Å
276	W	97.8	Very high	96.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.			trans	-58.7	130.1	-178.2	-58.9	110.5	0	0	0	111	F180 I194 R196 V204 R205 W213 V261 D265 F279	F180-W276 AromaticContact CD1-CH2 3.92Å; F180-W276 HydrophobicContact CD1-CH2 3.92Å; F180-W276 HydrophobicContact CD1-CZ2 4.41Å; F180-W276 AromaticContact CE1-CH2 3.73Å; F180-W276 HydrophobicContact CE1-CH2 3.73Å; F180-W276 HydrophobicContact CE1-CZ3 4.43Å; I194-W276 PolarHBondContact O-NE1 2.81Å; R196-W276 HydrophobicContact CB-CH2 3.76Å; R196-W276 HydrophobicContact CB-CZ2 3.94Å; V204-W276 HydrophobicContact CB-CD2 4.43Å; V204-W276 HydrophobicContact CB-CE3 4.38Å; V204-W276 HydrophobicContact CB-CH2 4.24Å; V204-W276 HydrophobicContact CB-CZ2 4.29Å; V204-W276 HydrophobicContact CB-CZ3 4.29Å; V204-W276 HydrophobicContact CG1-CB 4.44Å; V204-W276 HydrophobicContact CG1-CD2 3.47Å; V204-W276 VanDerWaalsContact CG1-CD2 3.47Å; V204-W276 HydrophobicContact CG1-CE3 3.56Å; V204-W276 HydrophobicContact CG1-CG 3.91Å; V204-W276 HydrophobicContact CG1-CH2 4.24Å; V204-W276 HydrophobicContact CG1-CZ2 4.19Å; V204-W276 HydrophobicContact CG1-CZ3 3.95Å; R205-W276 VanDerWaalsContact O-CD1 3.29Å; R205-W276 PolarHBondContact O-N 3.41Å; W213-W276 WeakPolarHBondContact CH2-O 3.35Å; W213-W276 HydrophobicContact CZ3-CB 4.11Å; V261-W276 HydrophobicContact CB-CD2 4.35Å; V261-W276 HydrophobicContact CB-CE3 4.14Å; V261-W276 HydrophobicContact CB-CZ3 4.49Å; V261-W276 HydrophobicContact CG1-CB 4.43Å; V261-W276 HydrophobicContact CG1-CD2 4.03Å; V261-W276 HydrophobicContact CG1-CE3 4.31Å; V261-W276 HydrophobicContact CG1-CG 4.06Å; V261-W276 HydrophobicContact CG2-CZ3 4.48Å; D265-W276 HydrophobicContact CB-CE3 3.84Å; D265-W276 HydrophobicContact CB-CZ3 3.98Å; W276-F279 HydrophobicContact CB-CB 3.76Å; W276-F279 HydrophobicContact CG-CB 4.48Å
277	T	97.4	Very high	96.4	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.012	14%	0.14	C	C	.	.	S	Bend	trans	-98.8	-6.2	172.3	56.8	0	0	0	0	112.4	D265 G268 L272 K275 T386 V394 V397	D265-T277 VanDerWaalsContact CG-OG1 3.29Å; D265-T277 PolarHBondContact OD1-OG1 2.9Å; D265-T277 PolarHBondContact OD2-N 2.82Å; D265-T277 PolarHBondContact OD2-OG1 2.84Å; G268-T277 VanDerWaalsContact N-CG2 3.26Å; L272-T277 HydrophobicContact CB-CG2 4.2Å; L272-T277 HydrophobicContact CD1-CG2 4.43Å; K275-T277 PolarHBondContact O-N 2.62Å; T277-T386 WeakPolarHBondContact OG1-CB 3.36Å; T277-T386 WeakPolarHBondContact OG1-CG2 3.45Å; T277-V394 HydrophobicContact CG2-CG1 4.27Å; T277-V394 HydrophobicContact CG2-CG2 4.32Å; T277-V397 WeakPolarHBondContact O-CG2 3.31Å
278	T	97.3	Very high	96.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	15%	0.154	C	C	.	.	S	Bend	trans	-114.5	3.7	-176.6	57.6	0	0	0	0	113.5	C262 D265 L280 T386 F389	C262-T278 HydrophobicContact CB-CG2 3.95Å; C262-T278 PolarHBondContact N-OG1 2.83Å; D265-T278 HydrophobicContact CB-CG2 4.34Å; D265-T278 WeakPolarHBondContact OD2-CB 3.5Å; D265-T278 PolarHBondContact OD2-N 2.84Å; D265-T278 PolarHBondContact OD2-OG1 3.33Å; T278-L280 PolarHBondContact O-N 3.11Å; T278-T386 HydrophobicContact CG2-CG2 4.23Å; T278-F389 HydrophobicContact CG2-CE2 4.09Å
279	F	98.4	Very high	95.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.176	C	C	.	.			trans	-67.9	120.9	-177.9	177.3	-93.3	0	0	0	112	I194 T206 W213 L214 A259 R260 V261 W276 K281 P401	I194-F279 HydrophobicContact CD1-CD2 4.47Å; I194-F279 HydrophobicContact CD1-CE2 3.76Å; T206-F279 HydrophobicContact CG2-CD2 4.09Å; T206-F279 HydrophobicContact CG2-CE2 4.11Å; W213-F279 HydrophobicContact CB-CE1 4.15Å; W213-F279 AromaticContact CD2-CD1 3.9Å; W213-F279 HydrophobicContact CD2-CD1 3.9Å; W213-F279 HydrophobicContact CD2-CE1 4.25Å; W213-F279 HydrophobicContact CE3-CB 4.17Å; W213-F279 AromaticContact CE3-CD1 3.51Å; W213-F279 HydrophobicContact CE3-CD1 3.51Å; W213-F279 HydrophobicContact CE3-CE1 4.05Å; W213-F279 AromaticContact CE3-CG 3.86Å; W213-F279 HydrophobicContact CE3-CG 3.86Å; W213-F279 HydrophobicContact CG-CD1 4.4Å; W213-F279 HydrophobicContact CG-CE1 4.32Å; W213-F279 HydrophobicContact CH2-CB 4.46Å; W213-F279 HydrophobicContact CZ3-CB 3.83Å; W213-F279 HydrophobicContact CZ3-CD1 4.06Å; W213-F279 HydrophobicContact CZ3-CG 4.04Å; L214-F279 HydrophobicContact CD2-CZ 4.41Å; A259-F279 HydrophobicContact CB-CD2 4.38Å; A259-F279 HydrophobicContact CB-CE2 3.56Å; A259-F279 HydrophobicContact CB-CZ 3.96Å; R260-F279 WeakPolarHBondContact O-CA 3.48Å; V261-F279 HydrophobicContact CG1-CB 4Å; V261-F279 HydrophobicContact CG1-CD2 3.8Å; V261-F279 HydrophobicContact CG1-CG 4.41Å; W276-F279 HydrophobicContact CB-CB 3.76Å; W276-F279 HydrophobicContact CG-CB 4.48Å; F279-K281 HydrophobicContact CE1-CD 4.5Å; F279-K281 HydrophobicContact CZ-CB 4.37Å; F279-K281 HydrophobicContact CZ-CD 4.38Å; F279-P401 HydrophobicContact CD1-CB 3.91Å; F279-P401 HydrophobicContact CE1-CB 4.04Å
280	L	98.6	Very high	95.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	152	169.6	-65.2	179.6	0	0	0	110.4	A259 R260 T278 F345 F349 P401 M403	A259-L280 CarbonylContact C-O 3.52Å; A259-L280 WeakPolarHBondContact CA-O 3.44Å; A259-L280 WeakPolarHBondContact CB-O 3.4Å; R260-L280 PolarHBondContact N-O 2.78Å; R260-L280 PolarHBondContact O-N 2.8Å; T278-L280 PolarHBondContact O-N 3.11Å; L280-F345 HydrophobicContact CB-CD1 4.04Å; L280-F345 HydrophobicContact CB-CE1 3.97Å; L280-F349 HydrophobicContact CD1-CE1 3.97Å; L280-F349 HydrophobicContact CD2-CD1 4.28Å; L280-F349 HydrophobicContact CD2-CE1 3.67Å; L280-P401 CarbonylContact C-O 3.57Å; L280-P401 VanDerWaalsContact CA-O 3.3Å; L280-P401 WeakPolarHBondContact CA-O 3.36Å; L280-M403 HydrophobicContact CD1-SD 4.13Å; L280-M403 HydrophobicContact CD2-SD 4.5Å
281	K	98.3	Very high	94.9	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.013	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	151.3	173.8	70.7	177.9	-178.4	-179.7	0	113.3	K212 W213 F240 E242 M257 V258 A259 F279 P401 V402 M403	K212-K281 WeakPolarHBondContact O-CE 3.29Å; K212-K281 PolarHBondContact O-NZ 3Å; W213-K281 WeakPolarHBondContact O-CD 3.43Å; W213-K281 WeakPolarHBondContact O-CE 3.25Å; W213-K281 PolarHBondContact O-NZ 2.97Å; F240-K281 HydrophobicContact CZ-CD 4.18Å; E242-K281 IonicContact OE1-NZ 2.72Å; E242-K281 PolarHBondContact OE1-NZ 3.44Å; E242-K281 IonicContact OE2-NZ 3.16Å; E242-K281 PolarHBondContact OE2-NZ 2.81Å; M257-K281 HydrophobicContact CE-CB 4.19Å; M257-K281 HydrophobicContact CE-CD 3.68Å; M257-K281 HydrophobicContact CE-CG 3.71Å; V258-K281 CarbonylContact O-C 3.46Å; V258-K281 VanDerWaalsContact O-CA 3.23Å; V258-K281 WeakPolarHBondContact O-CA 3.43Å; A259-K281 HydrophobicContact CB-CB 3.8Å; F279-K281 HydrophobicContact CE1-CD 4.5Å; F279-K281 HydrophobicContact CZ-CB 4.37Å; F279-K281 HydrophobicContact CZ-CD 4.38Å; K281-P401 PolarHBondContact N-O 3.14Å; K281-V402 HydrophobicContact CD-CG2 4.39Å; K281-V402 VanDerWaalsContact CE-CG2 3.41Å; K281-V402 HydrophobicContact CG-CG2 4.07Å; K281-V402 CarbonylContact O-C 3.59Å; K281-V402 WeakPolarHBondContact O-CA 3.37Å; K281-M403 WeakPolarHBondContact O-CG 3.23Å; K281-M403 PolarHBondContact O-N 2.9Å
282	A	98.3	Very high	94.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.4	177.7	0	0	0	0	0	110.6	M257 V258 V344 F345 M403 I407	M257-A282 WeakPolarHBondContact CA-O 3.35Å; V258-A282 HydrophobicContact CG1-CB 4.45Å; V258-A282 PolarHBondContact N-O 3.26Å; V258-A282 PolarHBondContact O-N 3.25Å; A282-V344 HydrophobicContact CB-CG1 3.74Å; A282-F345 HydrophobicContact CB-CE1 4.2Å; A282-F345 HydrophobicContact CB-CZ 4.17Å; A282-M403 HydrophobicContact CB-CB 3.95Å; A282-M403 HydrophobicContact CB-CG 3.95Å; A282-I407 HydrophobicContact CB-CD1 3.74Å; A282-I407 HydrophobicContact CB-CG1 4.33Å
283	R	97.6	Very high	93.9	Very high	62 Å²	62	40.8 Å²	40.8	23%	0.234	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.3	176.5	-176.8	-179.9	178.9	-167.1	0.1	109.9	H255 T256 M257 V285 D299 A406 I407	H255-R283 HydrophobicContact CB-CG 4.48Å; H255-R283 PolarHBondContact CE1-NH1 2.77Å; H255-R283 PolarHBondContact CE1-NH2 2.83Å; H255-R283 PolarHBondContact ND1-NE 3.04Å; T256-R283 WeakPolarHBondContact O-CA 3.42Å; M257-R283 HydrophobicContact CE-CB 4.49Å; M257-R283 HydrophobicContact SD-CB 3.96Å; M257-R283 HydrophobicContact SD-CG 4.36Å; R283-V285 HydrophobicContact CG-CG2 4.19Å; R283-D299 IonicContact CZ-OD1 3.51Å; R283-D299 IonicContact NH2-OD1 3.6Å; R283-D299 PolarHBondContact NH2-OD1 2.94Å; R283-A406 HydrophobicContact CB-CB 4.4Å; R283-A406 WeakPolarHBondContact O-CA 3.15Å; R283-I407 PolarHBondContact O-N 2.9Å
284	M	98.1	Very high	93.5	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.025	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.3	166.1	-59	-177.3	72.3	0	0	109.1	F239 T256 V258 Y336 I407	F239-M284 HydrophobicContact CD1-SD 3.92Å; F239-M284 HydrophobicContact CE1-SD 4.05Å; T256-M284 HydrophobicContact CG2-CB 4.08Å; T256-M284 PolarHBondContact O-N 2.93Å; V258-M284 HydrophobicContact CB-CG 4.2Å; V258-M284 HydrophobicContact CB-SD 3.78Å; V258-M284 HydrophobicContact CG1-CG 3.8Å; V258-M284 HydrophobicContact CG1-SD 3.92Å; M284-Y336 HydrophobicContact CE-CD1 4.01Å; M284-Y336 HydrophobicContact CE-CD2 3.4Å; M284-Y336 VanDerWaalsContact CE-CD2 3.4Å; M284-Y336 HydrophobicContact CE-CE1 4.08Å; M284-Y336 HydrophobicContact CE-CE2 3.51Å; M284-Y336 HydrophobicContact CE-CG 3.67Å; M284-I407 HydrophobicContact CG-CB 4.34Å; M284-I407 HydrophobicContact CG-CD1 4.03Å
285	V	97.4	Very high	93.3	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.012	22%	0.219	C	C	.	.			trans	-113.8	126.2	-177.7	176.3	0	0	0	0	108.8	R283 S287 Y336 A406 I407 Y408 P409	R283-V285 HydrophobicContact CG-CG2 4.19Å; V285-S287 WeakPolarHBondContact CG1-OG 3.34Å; V285-Y336 PolarHBondContact O-OH 2.95Å; V285-A406 HydrophobicContact CG2-CB 3.68Å; V285-I407 PolarHBondContact N-O 2.85Å; V285-Y408 HydrophobicContact CB-CD1 4.19Å; V285-Y408 HydrophobicContact CB-CE1 4.1Å; V285-Y408 HydrophobicContact CG1-CD1 4.04Å; V285-Y408 HydrophobicContact CG1-CE1 3.66Å; V285-P409 VanDerWaalsContact O-CD 3.26Å; V285-P409 WeakPolarHBondContact O-CD 3.47Å
286	C	97.1	Very high	92.9	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	22%	0.22	C	C	.	.			trans	-120.4	105.7	165.8	-170.1	0	0	0	0	107.5	F298 F321 C334	C286-F298 PolarHBondContact O-N 2.64Å; C286-F321 HydrophobicContact CB-CB 4.17Å; C286-F321 HydrophobicContact CB-CD1 3.85Å; C286-F321 HydrophobicContact CB-CD2 3.64Å; C286-F321 HydrophobicContact CB-CE1 4.08Å; C286-F321 HydrophobicContact CB-CE2 3.93Å; C286-F321 HydrophobicContact CB-CG 3.61Å; C286-F321 HydrophobicContact CB-CZ 4.14Å; C286-F321 VanDerWaalsContact SG-CD2 3.59Å; C286-C334 VanDerWaalsContact CA-SG 3.53Å; C286-C334 HydrophobicContact CB-CB 3.9Å; C286-C334 WeakPolarHBondContact CB-SG 3.42Å; C286-C334 WeakPolarHBondContact SG-CB 3.22Å; C286-C334 CovalentContact SG-SG 2.05Å; C286-C334 PolarHBondContact SG-SG 3.48Å
287	S	94.3	Very high	92.6	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.2	-175.6	55.3	0	0	0	0	112.2	V285 E295 T296 H297 P414	V285-S287 WeakPolarHBondContact CG1-OG 3.34Å; S287-E295 WeakPolarHBondContact CB-OE2 3.37Å; S287-E295 PolarHBondContact OG-OE2 3.22Å; S287-T296 CarbonylContact C-O 3.51Å; S287-T296 WeakPolarHBondContact CA-O 3.43Å; S287-T296 WeakPolarHBondContact CB-O 3.37Å; S287-H297 WeakPolarHBondContact CB-ND1 3.37Å; S287-P414 WeakPolarHBondContact O-CD 3.33Å
288	V	91.1	Very high	92.5	Very high	48 Å²	48	42.3 Å²	42.3	29%	0.291	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.5	169.8	178.2	0	0	0	0	107.8	E295 T296 F298 P414 V417	V288-E295 WeakPolarHBondContact O-CA 3.36Å; V288-T296 PolarHBondContact N-O 3.28Å; V288-T296 PolarHBondContact O-N 3.41Å; V288-F298 HydrophobicContact CG2-CE2 4.04Å; V288-P414 HydrophobicContact CG2-CG 3.82Å; V288-V417 HydrophobicContact CG2-CG2 3.9Å
289	L	88.4	Confident	92.4	Very high	95 Å²	95	42.9 Å²	42.9	50%	0.497	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	123.8	171.1	-74.5	160.5	0	0	0	109.2	E295	L289-E295 HydrophobicContact CD2-CG 3.33Å; L289-E295 HydrophobicContact CG-CG 4.04Å
290	E	83.4	Confident	92.2	Very high	89 Å²	89	44.6 Å²	44.6	42%	0.416	24%	0.244	S	C	.	.			trans	-86.6	164.4	174.8	-61.3	-169.8	-168.2	0	0	111.2	D292 G293 T294 T296	E290-D292 WeakPolarHBondContact CB-OD1 3.24Å; E290-D292 PolarHBondContact O-N 3.09Å; E290-G293 PolarHBondContact O-N 3.15Å; E290-T294 PolarHBondContact N-O 2.89Å; E290-T296 PolarHBondContact OE1-OG1 2.91Å
291	D	82.9	Confident	92.2	Very high	185 Å²	185	44.7 Å²	44.7	99%	0.989	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-25.7	-176.3	-69.4	-28.4	0	0	0	112.9	G293	D291-G293 VanDerWaalsContact C-N 3.26Å
292	D	84.5	Confident	92.2	Very high	114 Å²	114	47.3 Å²	47.3	61%	0.61	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-0	176.2	71.5	-11.8	0	0	0	113.4	E290 T294	E290-D292 WeakPolarHBondContact CB-OD1 3.24Å; E290-D292 PolarHBondContact O-N 3.09Å; D292-T294 VanDerWaalsContact C-N 3.34Å; D292-T294 WeakPolarHBondContact OD1-CB 3.11Å; D292-T294 WeakPolarHBondContact OD1-CG2 3.25Å; D292-T294 PolarHBondContact OD1-N 2.81Å; D292-T294 PolarHBondContact OD1-OG1 3.04Å; D292-T294 WeakPolarHBondContact OD2-CG2 3.36Å; D292-T294 PolarHBondContact OD2-OG1 3.17Å
293	G	83.5	Confident	92.1	Very high	55 Å²	55	48.2 Å²	48.2	57%	0.567	26%	0.263	S	S	*	.	S	Bend	trans	83.7	3.5	-178.8	0	0	0	0	0	114.5	E290 D291	E290-G293 PolarHBondContact O-N 3.15Å; D291-G293 VanDerWaalsContact C-N 3.26Å
294	T	87.8	Confident	92.2	Very high	65 Å²	65	46 Å²	46	40%	0.399	26%	0.257	S	S	.	.			trans	-76.1	148.4	172.1	63.9	0	0	0	0	111.1	E290 D292	E290-T294 PolarHBondContact N-O 2.89Å; D292-T294 VanDerWaalsContact C-N 3.34Å; D292-T294 WeakPolarHBondContact OD1-CB 3.11Å; D292-T294 WeakPolarHBondContact OD1-CG2 3.25Å; D292-T294 PolarHBondContact OD1-N 2.81Å; D292-T294 PolarHBondContact OD1-OG1 3.04Å; D292-T294 WeakPolarHBondContact OD2-CG2 3.36Å; D292-T294 PolarHBondContact OD2-OG1 3.17Å
295	E	89	Confident	92.2	Very high	57 Å²	57	47.3 Å²	47.3	27%	0.266	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.5	176.3	-76.9	-170.6	-154.8	0	0	110.1	S287 V288 L289 H297	S287-E295 WeakPolarHBondContact CB-OE2 3.37Å; S287-E295 PolarHBondContact OG-OE2 3.22Å; V288-E295 WeakPolarHBondContact O-CA 3.36Å; L289-E295 HydrophobicContact CD2-CG 3.33Å; L289-E295 HydrophobicContact CG-CG 4.04Å; E295-H297 PolarHBondContact O-CD2 3.06Å; E295-H297 PolarHBondContact O-N 3.28Å; E295-H297 IonicContact OE2-CE1 3.89Å; E295-H297 PolarHBondContact OE2-CE1 3.27Å; E295-H297 IonicContact OE2-ND1 4Å; E295-H297 IonicContact OE2-NE2 3.78Å
296	T	90	Very high	92.1	Very high	42 Å²	42	49.2 Å²	49.2	26%	0.258	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	111.1	167.6	-81.3	0	0	0	0	109.3	S287 V288 E290 F298 F328	S287-T296 CarbonylContact C-O 3.51Å; S287-T296 WeakPolarHBondContact CA-O 3.43Å; S287-T296 WeakPolarHBondContact CB-O 3.37Å; V288-T296 PolarHBondContact N-O 3.28Å; V288-T296 PolarHBondContact O-N 3.41Å; E290-T296 PolarHBondContact OE1-OG1 2.91Å; T296-F298 HydrophobicContact CG2-CE2 4.28Å; T296-F328 HydrophobicContact CG2-CE1 4.43Å
297	H	92.3	Very high	92	Very high	61 Å²	61	49.9 Å²	49.9	28%	0.282	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	142	-174.9	-64.1	-78.6	0	0	0	113.5	S287 E295 D299	S287-H297 WeakPolarHBondContact CB-ND1 3.37Å; E295-H297 PolarHBondContact O-CD2 3.06Å; E295-H297 PolarHBondContact O-N 3.28Å; E295-H297 IonicContact OE2-CE1 3.89Å; E295-H297 PolarHBondContact OE2-CE1 3.27Å; E295-H297 IonicContact OE2-ND1 4Å; E295-H297 IonicContact OE2-NE2 3.78Å; H297-D299 WeakPolarHBondContact CB-OD2 3.45Å
298	F	95.3	Very high	91.9	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.009	31%	0.312	C	S	.	.			trans	-112.5	84.3	167.2	-58.1	-99	0	0	0	107.4	C286 V288 T296 F321 T322 F328 A332 V417	C286-F298 PolarHBondContact O-N 2.64Å; V288-F298 HydrophobicContact CG2-CE2 4.04Å; T296-F298 HydrophobicContact CG2-CE2 4.28Å; F298-F321 HydrophobicContact CB-CB 3.59Å; F298-F321 WeakPolarHBondContact O-CB 3.49Å; F298-F321 WeakPolarHBondContact O-CD1 3.37Å; F298-T322 CarbonylContact C-O 3.53Å; F298-T322 WeakPolarHBondContact CA-O 3.13Å; F298-F328 HydrophobicContact CE1-CE1 4.41Å; F298-A332 HydrophobicContact CB-CB 4.17Å; F298-A332 HydrophobicContact CD1-CB 3.79Å; F298-A332 HydrophobicContact CD2-CB 3.68Å; F298-A332 HydrophobicContact CE1-CB 4.05Å; F298-A332 HydrophobicContact CE2-CB 3.97Å; F298-A332 HydrophobicContact CG-CB 3.6Å; F298-A332 HydrophobicContact CZ-CB 4.14Å; F298-V417 HydrophobicContact CZ-CG1 3.98Å
299	D	93.8	Very high	91.5	Very high	13 Å²	13	57.2 Å²	57.2	7%	0.07	31%	0.309	C	S	.	.			trans	-87	-6.6	-170.4	-69.1	-63.5	0	0	0	114.3	I254 T256 R283 H297 T322 T324	I254-D299 WeakPolarHBondContact O-CB 3.49Å; T256-D299 PolarHBondContact N-O 3.3Å; T256-D299 PolarHBondContact OG1-O 2.9Å; R283-D299 IonicContact CZ-OD1 3.51Å; R283-D299 IonicContact NH2-OD1 3.6Å; R283-D299 PolarHBondContact NH2-OD1 2.94Å; H297-D299 WeakPolarHBondContact CB-OD2 3.45Å; D299-T322 PolarHBondContact N-O 2.82Å; D299-T324 HydrophobicContact CB-CG2 3.93Å
300	E	95.6	Very high	90.9	Very high	35 Å²	35	58.5 Å²	58.5	16%	0.164	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	93.3	-177.5	-70.8	-162.6	-158.5	0	0	112.5	R241 I254 E302 F321 T322 T324	R241-E300 IonicContact CZ-OE2 3.58Å; R241-E300 IonicContact NH1-OE2 3.94Å; R241-E300 PolarHBondContact NH1-OE2 3.2Å; I254-E300 HydrophobicContact CD1-CG 4.34Å; I254-E300 HydrophobicContact CG2-CG 4.29Å; E300-E302 PolarHBondContact O-N 2.72Å; E300-F321 CarbonylContact O-C 3.5Å; E300-F321 VanDerWaalsContact O-CA 3.28Å; E300-F321 WeakPolarHBondContact O-CA 3.48Å; E300-T322 WeakPolarHBondContact CB-O 3.02Å; E300-T322 WeakPolarHBondContact CB-OG1 3.32Å; E300-T322 PolarHBondContact N-O 3.24Å; E300-T322 VanDerWaalsContact N-O 3.11Å; E300-T322 PolarHBondContact O-N 2.81Å; E300-T324 HydrophobicContact CG-CG2 3.73Å; E300-T324 WeakPolarHBondContact OE1-CA 3.03Å
301	L	98	Very high	90.4	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	126.5	172.2	-179.9	72.8	0	0	0	111.7	I220 F239 T256 S303 V304 V320 F321	I220-L301 HydrophobicContact CB-CD2 4.19Å; I220-L301 WeakPolarHBondContact CD1-O 3.49Å; I220-L301 HydrophobicContact CG1-CD2 4.07Å; I220-L301 HydrophobicContact CG1-CG 4.21Å; I220-L301 HydrophobicContact CG2-CD2 4.32Å; I220-L301 HydrophobicContact CG2-CG 4.33Å; F239-L301 HydrophobicContact CB-CD2 4.01Å; T256-L301 HydrophobicContact CG2-CB 3.57Å; T256-L301 HydrophobicContact CG2-CD2 3.65Å; T256-L301 HydrophobicContact CG2-CG 4.12Å; T256-L301 WeakPolarHBondContact OG1-CB 3.09Å; T256-L301 PolarHBondContact OG1-N 2.75Å; L301-S303 WeakPolarHBondContact CD1-O 3.45Å; L301-V304 HydrophobicContact CD1-CG2 3.95Å; L301-V304 HydrophobicContact CD2-CG2 3.72Å; L301-V304 HydrophobicContact CG-CG2 4.22Å; L301-V320 WeakPolarHBondContact CA-O 3.5Å; L301-F321 HydrophobicContact CB-CD1 4.2Å; L301-F321 HydrophobicContact CB-CE1 4.08Å; L301-F321 HydrophobicContact CD1-CD1 4.29Å; L301-F321 HydrophobicContact CD1-CD2 4.49Å; L301-F321 HydrophobicContact CD1-CE1 3.87Å; L301-F321 HydrophobicContact CD1-CE2 4.04Å; L301-F321 HydrophobicContact CD1-CZ 3.71Å
302	E	97.2	Very high	89.4	Confident	58 Å²	58	57.7 Å²	57.7	27%	0.271	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-34.1	179.2	-64.5	-59.6	153.1	0	0	112.9	R241 E300 V320 T322	R241-E302 IonicContact CZ-OE1 2.89Å; R241-E302 IonicContact NH1-OE1 3.18Å; R241-E302 PolarHBondContact NH1-OE1 3.02Å; R241-E302 IonicContact NH2-OE1 2.82Å; E300-E302 PolarHBondContact O-N 2.72Å; E302-V320 HydrophobicContact CB-CG1 4.34Å; E302-V320 PolarHBondContact N-O 2.82Å; E302-T322 HydrophobicContact CG-CG2 3.78Å
303	S	97.8	Very high	88.6	Confident	20 Å²	20	60.2 Å²	60.2	14%	0.14	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	149	-175.1	179	0	0	0	0	111.9	L301 G319 V320 T426 V428	L301-S303 WeakPolarHBondContact CD1-O 3.45Å; S303-G319 VanDerWaalsContact O-CA 3.29Å; S303-G319 WeakPolarHBondContact O-CA 3.39Å; S303-V320 PolarHBondContact O-N 2.98Å; S303-T426 WeakPolarHBondContact CB-O 3.34Å; S303-V428 PolarHBondContact OG-N 2.83Å
304	V	98.3	Very high	88.6	Confident	15 Å²	15	58.6 Å²	58.6	9%	0.091	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.6	178.1	178	0	0	0	0	109.9	I220 D221 F239 L301 L306 V317 F318	I220-V304 HydrophobicContact CG2-CG2 4.22Å; D221-V304 HydrophobicContact CB-CB 4.09Å; F239-V304 HydrophobicContact CB-CG2 3.89Å; F239-V304 HydrophobicContact CD1-CG2 4.31Å; F239-V304 HydrophobicContact CD2-CG1 4.16Å; F239-V304 HydrophobicContact CD2-CG2 4.45Å; F239-V304 HydrophobicContact CE2-CG1 4.22Å; F239-V304 HydrophobicContact CG-CG1 4.34Å; F239-V304 HydrophobicContact CG-CG2 3.97Å; F239-V304 HydrophobicContact CZ-CG1 4.45Å; L301-V304 HydrophobicContact CD1-CG2 3.95Å; L301-V304 HydrophobicContact CD2-CG2 3.72Å; L301-V304 HydrophobicContact CG-CG2 4.22Å; V304-L306 HydrophobicContact CG1-CD1 3.81Å; V304-V317 HydrophobicContact CG1-CG1 3.81Å; V304-F318 CarbonylContact C-O 3.42Å; V304-F318 VanDerWaalsContact CA-O 3.28Å; V304-F318 WeakPolarHBondContact CA-O 3.38Å
305	F	97.8	Very high	88.9	Confident	32 Å²	32	56.6 Å²	56.6	14%	0.14	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	135.6	172.9	-174.6	-89.6	0	0	0	110.6	L307 F318 V428 A429 V430 I487	F305-L307 HydrophobicContact CE1-CB 4.32Å; F305-L307 HydrophobicContact CE1-CD1 4.45Å; F305-F318 HydrophobicContact CB-CB 4.38Å; F305-F318 PolarHBondContact N-O 3.36Å; F305-F318 PolarHBondContact O-N 3.46Å; F305-V428 HydrophobicContact CB-CG1 3.94Å; F305-A429 HydrophobicContact CD2-CB 4.29Å; F305-A429 HydrophobicContact CE2-CB 4.19Å; F305-V430 HydrophobicContact CD1-CB 3.82Å; F305-V430 HydrophobicContact CD1-CG2 3.89Å; F305-V430 HydrophobicContact CE1-CB 3.81Å; F305-V430 HydrophobicContact CE1-CG2 4.39Å; F305-V430 WeakPolarHBondContact CE1-O 3.39Å; F305-V430 VanDerWaalsContact CZ-O 3.3Å; F305-V430 WeakPolarHBondContact CZ-O 3.31Å; F305-I487 HydrophobicContact CE2-CG2 3.68Å; F305-I487 HydrophobicContact CZ-CG2 3.67Å
306	L	96.4	Very high	89.2	Confident	42 Å²	42	55.1 Å²	55.1	22%	0.22	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.7	178.7	-85.2	66.4	0	0	0	109.6	Q223 I225 V304 L315 L316	Q223-L306 HydrophobicContact CB-CD2 3.84Å; Q223-L306 HydrophobicContact CG-CD1 3.84Å; Q223-L306 HydrophobicContact CG-CD2 3.75Å; Q223-L306 HydrophobicContact CG-CG 4.44Å; I225-L306 HydrophobicContact CD1-CD2 3.97Å; I225-L306 HydrophobicContact CG1-CD2 4.27Å; V304-L306 HydrophobicContact CG1-CD1 3.81Å; L306-L315 HydrophobicContact CB-CD1 4.09Å; L306-L315 HydrophobicContact CD2-CD1 4.29Å; L306-L315 HydrophobicContact CD2-CD2 4.14Å; L306-L315 HydrophobicContact CG-CD1 4.27Å; L306-L316 WeakPolarHBondContact CA-O 3.4Å
307	L	94.8	Very high	89.6	Confident	16 Å²	16	53.1 Å²	53.1	8%	0.084	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	115.5	176	-177.6	70	0	0	0	109.8	F305 L316 F318 V430 Q432 Q441	F305-L307 HydrophobicContact CE1-CB 4.32Å; F305-L307 HydrophobicContact CE1-CD1 4.45Å; L307-L316 HydrophobicContact CB-CB 4.48Å; L307-L316 PolarHBondContact N-O 3.39Å; L307-L316 PolarHBondContact O-N 3.08Å; L307-F318 HydrophobicContact CB-CD2 4.25Å; L307-F318 HydrophobicContact CB-CE2 3.82Å; L307-F318 HydrophobicContact CD2-CE2 3.89Å; L307-F318 HydrophobicContact CD2-CZ 4.27Å; L307-V430 HydrophobicContact CD2-CG1 4.04Å; L307-Q432 HydrophobicContact CD1-CB 4.39Å; L307-Q441 HydrophobicContact CD2-CG 4.21Å
308	E	91.3	Very high	89.9	Confident	167 Å²	167	50.2 Å²	50.2	78%	0.78	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	134.1	166.4	-64.7	-175.5	175.1	0	0	109.4	L315	E308-L315 HydrophobicContact CG-CD1 4.27Å
309	T	83.8	Confident	90	Very high	37 Å²	37	50.2 Å²	50.2	23%	0.227	26%	0.261	C	S	.	.			trans	-103.1	164.6	-178.6	70.4	0	0	0	0	111.3	Q311 G314 L316	T309-Q311 PolarHBondContact O-N 3.41Å; T309-Q311 VanDerWaalsContact O-N 3.1Å; T309-Q311 PolarHBondContact OG1-N 2.84Å; T309-G314 WeakPolarHBondContact CB-O 3.5Å; T309-G314 PolarHBondContact N-O 2.87Å; T309-G314 VanDerWaalsContact OG1-C 3.29Å; T309-G314 VanDerWaalsContact OG1-CA 3.26Å; T309-G314 WeakPolarHBondContact OG1-CA 3.15Å; T309-G314 PolarHBondContact OG1-O 2.89Å; T309-L316 HydrophobicContact CG2-CD1 3.86Å; T309-L316 HydrophobicContact CG2-CG 3.86Å
310	D	75.3	Confident	90.3	Very high	122 Å²	122	49.6 Å²	49.6	65%	0.652	26%	0.258	S	S	*	.	S	Bend	trans	-63.5	-14.5	176.4	-58.5	-36.8	0	0	0	113.4	N439	D310-N439 PolarHBondContact OD2-ND2 3.04Å
311	Q	72.3	Confident	90.4	Very high	139 Å²	139	48 Å²	48	65%	0.65	25%	0.25	S	C	*	.	S	Bend	trans	-78.1	138.1	176.1	-67.7	-66.6	-31.7	0	0	110.5	T309 K313 G314	T309-Q311 PolarHBondContact O-N 3.41Å; T309-Q311 VanDerWaalsContact O-N 3.1Å; T309-Q311 PolarHBondContact OG1-N 2.84Å; Q311-K313 PolarHBondContact O-N 2.86Å; Q311-G314 PolarHBondContact O-N 2.9Å
312	P	63.5	Low	90.3	Very high	117 Å²	117	48 Å²	48	76%	0.76	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	119.1	175.6	-21.1	30.4	0	0	0	110.6	G314	P312-G314 PolarHBondContact O-N 3.09Å
313	K	66.3	Low	90	Very high	168 Å²	168	45.4 Å²	45.4	73%	0.73	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	13.3	-177.9	-47.7	176.2	-179.7	174.2	0	115.7	Q311 L315	Q311-K313 PolarHBondContact O-N 2.86Å; K313-L315 PolarHBondContact O-N 3.45Å
314	G	84.3	Confident	89.4	Confident	20 Å²	20	47.5 Å²	47.5	21%	0.206	25%	0.251	C	S	.	.			trans	-77.3	111.9	174.7	0	0	0	0	0	110.4	T309 Q311 P312	T309-G314 WeakPolarHBondContact CB-O 3.5Å; T309-G314 PolarHBondContact N-O 2.87Å; T309-G314 VanDerWaalsContact OG1-C 3.29Å; T309-G314 VanDerWaalsContact OG1-CA 3.26Å; T309-G314 WeakPolarHBondContact OG1-CA 3.15Å; T309-G314 PolarHBondContact OG1-O 2.89Å; Q311-G314 PolarHBondContact O-N 2.9Å; P312-G314 PolarHBondContact O-N 3.09Å
315	L	93.9	Very high	88.4	Confident	24 Å²	24	49.1 Å²	49.1	13%	0.126	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.3	176.8	178	68	0	0	0	109.3	I225 L306 E308 K313 M338	I225-L315 HydrophobicContact CD1-CD2 4.01Å; I225-L315 HydrophobicContact CG1-CD2 4.29Å; I225-L315 HydrophobicContact CG2-CD2 3.73Å; L306-L315 HydrophobicContact CB-CD1 4.09Å; L306-L315 HydrophobicContact CD2-CD1 4.29Å; L306-L315 HydrophobicContact CD2-CD2 4.14Å; L306-L315 HydrophobicContact CG-CD1 4.27Å; E308-L315 HydrophobicContact CG-CD1 4.27Å; K313-L315 PolarHBondContact O-N 3.45Å; L315-M338 HydrophobicContact CB-CB 3.9Å; L315-M338 HydrophobicContact CD2-CB 4.26Å; L315-M338 HydrophobicContact CD2-CG 4.12Å; L315-M338 HydrophobicContact CD2-SD 4.35Å; L315-M338 HydrophobicContact CG-CB 4.31Å; L315-M338 WeakPolarHBondContact O-CB 3.45Å; L315-M338 PolarHBondContact O-N 2.87Å
316	L	95.8	Very high	87.1	Confident	25 Å²	25	52.9 Å²	52.9	13%	0.131	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.4	173.6	-66.5	176	0	0	0	110.2	L306 L307 T309 F318 Y336 N337 Q441	L306-L316 WeakPolarHBondContact CA-O 3.4Å; L307-L316 HydrophobicContact CB-CB 4.48Å; L307-L316 PolarHBondContact N-O 3.39Å; L307-L316 PolarHBondContact O-N 3.08Å; T309-L316 HydrophobicContact CG2-CD1 3.86Å; T309-L316 HydrophobicContact CG2-CG 3.86Å; L316-F318 HydrophobicContact CB-CD2 4.28Å; L316-F318 HydrophobicContact CB-CE2 3.69Å; L316-F318 HydrophobicContact CB-CZ 4.45Å; L316-F318 HydrophobicContact CD1-CE2 4.22Å; L316-F318 HydrophobicContact CD1-CZ 4.27Å; L316-Y336 WeakPolarHBondContact CA-O 3.29Å; L316-N337 HydrophobicContact CD2-CB 4.41Å; L316-Q441 VanDerWaalsContact CD1-NE2 3.25Å
317	V	97.9	Very high	86	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	115.6	173	-176.3	0	0	0	0	107.9	F239 V304 A335 Y336 I341	F239-V317 HydrophobicContact CE1-CG1 3.95Å; F239-V317 HydrophobicContact CZ-CG1 4.05Å; V304-V317 HydrophobicContact CG1-CG1 3.81Å; V317-A335 CarbonylContact O-C 3.54Å; V317-A335 WeakPolarHBondContact O-CA 3.29Å; V317-Y336 PolarHBondContact N-O 2.04Å; V317-Y336 WeakPolarHBondContact O-CD2 3.45Å; V317-Y336 PolarHBondContact O-N 3.38Å; V317-I341 HydrophobicContact CB-CD1 4.43Å; V317-I341 HydrophobicContact CG2-CD1 3.92Å
318	F	98.4	Very high	85.1	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.9	173.2	-69.2	-100.6	0	0	0	109.4	V304 F305 L307 L316 C334 A335 L415 V430	V304-F318 CarbonylContact C-O 3.42Å; V304-F318 VanDerWaalsContact CA-O 3.28Å; V304-F318 WeakPolarHBondContact CA-O 3.38Å; F305-F318 HydrophobicContact CB-CB 4.38Å; F305-F318 PolarHBondContact N-O 3.36Å; F305-F318 PolarHBondContact O-N 3.46Å; L307-F318 HydrophobicContact CB-CD2 4.25Å; L307-F318 HydrophobicContact CB-CE2 3.82Å; L307-F318 HydrophobicContact CD2-CE2 3.89Å; L307-F318 HydrophobicContact CD2-CZ 4.27Å; L316-F318 HydrophobicContact CB-CD2 4.28Å; L316-F318 HydrophobicContact CB-CE2 3.69Å; L316-F318 HydrophobicContact CB-CZ 4.45Å; L316-F318 HydrophobicContact CD1-CE2 4.22Å; L316-F318 HydrophobicContact CD1-CZ 4.27Å; F318-C334 CarbonylContact C-O 3.51Å; F318-C334 WeakPolarHBondContact CA-O 3.41Å; F318-A335 HydrophobicContact CD1-CB 3.86Å; F318-A335 HydrophobicContact CE1-CB 3.72Å; F318-A335 HydrophobicContact CG-CB 4.41Å; F318-A335 HydrophobicContact CZ-CB 4.14Å; F318-L415 HydrophobicContact CD1-CD1 4.15Å; F318-L415 HydrophobicContact CE1-CD1 3.65Å; F318-V430 HydrophobicContact CB-CG2 4.27Å; F318-V430 HydrophobicContact CD1-CG2 3.89Å; F318-V430 HydrophobicContact CD2-CG2 4.01Å; F318-V430 HydrophobicContact CE1-CG1 4.39Å; F318-V430 HydrophobicContact CE1-CG2 4.19Å; F318-V430 HydrophobicContact CE2-CG1 4.34Å; F318-V430 HydrophobicContact CE2-CG2 4.32Å; F318-V430 HydrophobicContact CG-CG2 3.78Å; F318-V430 HydrophobicContact CZ-CG1 4.12Å; F318-V430 HydrophobicContact CZ-CG2 4.41Å
319	G	98.4	Very high	84.8	Confident	2 Å²	2	58.2 Å²	58.2	2%	0.021	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.8	174.6	0	0	0	0	0	111.9	S303 F321 V333 C334	S303-G319 VanDerWaalsContact O-CA 3.29Å; S303-G319 WeakPolarHBondContact O-CA 3.39Å; G319-F321 VanDerWaalsContact O-CD2 3.29Å; G319-F321 WeakPolarHBondContact O-CD2 3.33Å; G319-F321 WeakPolarHBondContact O-CE2 3.4Å; G319-V333 WeakPolarHBondContact O-CA 3.48Å; G319-C334 PolarHBondContact N-O 2.91Å; G319-C334 PolarHBondContact O-N 2.77Å
320	V	98.6	Very high	85.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.9	167.5	176	0	0	0	0	108.2	L301 E302 S303 V333 Y425 V428	L301-V320 WeakPolarHBondContact CA-O 3.5Å; E302-V320 HydrophobicContact CB-CG1 4.34Å; E302-V320 PolarHBondContact N-O 2.82Å; S303-V320 PolarHBondContact O-N 2.98Å; V320-V333 HydrophobicContact CG2-CG2 4.4Å; V320-Y425 WeakPolarHBondContact CG1-O 3.32Å; V320-V428 HydrophobicContact CG2-CB 3.55Å; V320-V428 HydrophobicContact CG2-CG1 3.66Å
321	F	98	Very high	86.1	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.5	-178.5	-62.4	-99	0	0	0	110.3	T256 C286 F298 E300 L301 G319 S331 A332 C334 Y336	T256-F321 HydrophobicContact CG2-CE1 3.8Å; T256-F321 HydrophobicContact CG2-CZ 4.48Å; C286-F321 HydrophobicContact CB-CB 4.17Å; C286-F321 HydrophobicContact CB-CD1 3.85Å; C286-F321 HydrophobicContact CB-CD2 3.64Å; C286-F321 HydrophobicContact CB-CE1 4.08Å; C286-F321 HydrophobicContact CB-CE2 3.93Å; C286-F321 HydrophobicContact CB-CG 3.61Å; C286-F321 HydrophobicContact CB-CZ 4.14Å; C286-F321 VanDerWaalsContact SG-CD2 3.59Å; F298-F321 HydrophobicContact CB-CB 3.59Å; F298-F321 WeakPolarHBondContact O-CB 3.49Å; F298-F321 WeakPolarHBondContact O-CD1 3.37Å; E300-F321 CarbonylContact O-C 3.5Å; E300-F321 VanDerWaalsContact O-CA 3.28Å; E300-F321 WeakPolarHBondContact O-CA 3.48Å; L301-F321 HydrophobicContact CB-CD1 4.2Å; L301-F321 HydrophobicContact CB-CE1 4.08Å; L301-F321 HydrophobicContact CD1-CD1 4.29Å; L301-F321 HydrophobicContact CD1-CD2 4.49Å; L301-F321 HydrophobicContact CD1-CE1 3.87Å; L301-F321 HydrophobicContact CD1-CE2 4.04Å; L301-F321 HydrophobicContact CD1-CZ 3.71Å; G319-F321 VanDerWaalsContact O-CD2 3.29Å; G319-F321 WeakPolarHBondContact O-CD2 3.33Å; G319-F321 WeakPolarHBondContact O-CE2 3.4Å; F321-S331 CarbonylContact O-C 3.6Å; F321-S331 VanDerWaalsContact O-CA 3.26Å; F321-S331 WeakPolarHBondContact O-CA 3.41Å; F321-A332 PolarHBondContact N-O 3.02Å; F321-A332 PolarHBondContact O-N 2.87Å; F321-C334 HydrophobicContact CD2-CB 4.12Å; F321-C334 HydrophobicContact CE2-CB 3.82Å; F321-Y336 AromaticContact CE2-CE2 3.89Å; F321-Y336 HydrophobicContact CE2-CE2 3.89Å; F321-Y336 AromaticContact CZ-CE2 3.86Å; F321-Y336 HydrophobicContact CZ-CE2 3.86Å; F321-Y336 AromaticContact CZ-CZ 3.96Å; F321-Y336 WeakPolarHBondContact CZ-OH 3.46Å
322	T	95.6	Very high	87.2	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	160.8	173	68.8	0	0	0	0	111.3	F298 D299 E300 E302 G330 R424	F298-T322 CarbonylContact C-O 3.53Å; F298-T322 WeakPolarHBondContact CA-O 3.13Å; D299-T322 PolarHBondContact N-O 2.82Å; E300-T322 WeakPolarHBondContact CB-O 3.02Å; E300-T322 WeakPolarHBondContact CB-OG1 3.32Å; E300-T322 PolarHBondContact N-O 3.24Å; E300-T322 VanDerWaalsContact N-O 3.11Å; E300-T322 PolarHBondContact O-N 2.81Å; E302-T322 HydrophobicContact CG-CG2 3.78Å; T322-G330 VanDerWaalsContact CA-O 3.28Å; T322-G330 WeakPolarHBondContact CA-O 3.41Å; T322-R424 PolarHBondContact OG1-NH2 3.48Å
323	S	92.2	Very high	88.9	Confident	4 Å²	4	38.7 Å²	38.7	3%	0.028	22%	0.215	C	C	.	.			trans	-74.1	143.6	175.8	56.4	0	0	0	0	111.3	S325 F328 G330 R424	S323-S325 VanDerWaalsContact C-N 3.33Å; S323-F328 WeakPolarHBondContact CB-O 3.43Å; S323-F328 PolarHBondContact OG-O 2.87Å; S323-G330 PolarHBondContact N-O 2.8Å; S323-G330 PolarHBondContact OG-N 2.84Å; S323-R424 PolarHBondContact O-NH2 2.84Å; S323-R424 VanDerWaalsContact O-NH2 3.14Å
324	T	84.7	Confident	90.3	Very high	65 Å²	65	30.7 Å²	30.7	40%	0.399	18%	0.18	S	C	.	.	S	Bend	trans	-74.8	-23.6	174.8	50.2	0	0	0	0	112.9	I254 D299 E300	I254-T324 HydrophobicContact CB-CG2 3.96Å; I254-T324 HydrophobicContact CD1-CG2 4.12Å; I254-T324 HydrophobicContact CG1-CG2 4.41Å; D299-T324 HydrophobicContact CB-CG2 3.93Å; E300-T324 HydrophobicContact CG-CG2 3.73Å; E300-T324 WeakPolarHBondContact OE1-CA 3.03Å
325	S	78.1	Confident	90.9	Very high	49 Å²	49	30 Å²	30	34%	0.343	17%	0.172	S	C	.	.			trans	-68.8	133.8	-178.5	-178.8	0	0	0	0	111.7	S323 V327 F328	S323-S325 VanDerWaalsContact C-N 3.33Å; S325-V327 VanDerWaalsContact C-N 3.3Å; S325-V327 PolarHBondContact OG-N 2.88Å; S325-F328 PolarHBondContact OG-N 2.81Å; S325-F328 VanDerWaalsContact OG-N 3.1Å
326	S	70.1	Confident	91.1	Very high	111 Å²	111	28.8 Å²	28.8	78%	0.776	17%	0.166	S	C	*	.	S	Bend	trans	-73.3	-24.5	171.6	57	0	0	0	0	112.6
327	V	72.7	Confident	91.1	Very high	135 Å²	135	30.4 Å²	30.4	82%	0.818	18%	0.175	S	C	*	.	S	Bend	trans	-88.2	-44.1	-178.4	-177.1	0	0	0	0	110.7	S325	S325-V327 VanDerWaalsContact C-N 3.3Å; S325-V327 PolarHBondContact OG-N 2.88Å
328	F	77.2	Confident	90.9	Very high	83 Å²	83	30.9 Å²	30.9	36%	0.364	18%	0.177	S	C	.	.	S	Bend	trans	-95.4	106.8	177.2	-179.6	-99.5	0	0	0	109.8	T296 F298 S323 S325 T419	T296-F328 HydrophobicContact CG2-CE1 4.43Å; F298-F328 HydrophobicContact CE1-CE1 4.41Å; S323-F328 WeakPolarHBondContact CB-O 3.43Å; S323-F328 PolarHBondContact OG-O 2.87Å; S325-F328 PolarHBondContact OG-N 2.81Å; S325-F328 VanDerWaalsContact OG-N 3.1Å; F328-T419 HydrophobicContact CE1-CG2 4.2Å; F328-T419 HydrophobicContact CE2-CG2 4.05Å; F328-T419 HydrophobicContact CZ-CG2 3.36Å
329	K	83.1	Confident	90.7	Very high	119 Å²	119	33.1 Å²	33.1	52%	0.517	20%	0.196	S	C	.	.			trans	-90.7	114.1	171.5	-63.9	-177.8	-177.5	-178.6	0	109.3	G420	K329-G420 PolarHBondContact O-N 3.03Å
330	G	91.3	Very high	90.5	Very high	2 Å²	2	36.5 Å²	36.5	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	151.3	174.7	0	0	0	0	0	112.5	T322 S323 R418	T322-G330 VanDerWaalsContact CA-O 3.28Å; T322-G330 WeakPolarHBondContact CA-O 3.41Å; S323-G330 PolarHBondContact N-O 2.8Å; S323-G330 PolarHBondContact OG-N 2.84Å; G330-R418 CarbonylContact C-O 3.53Å; G330-R418 WeakPolarHBondContact CA-O 3.27Å
331	S	95.7	Very high	90.4	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.8	170.4	-59.2	0	0	0	0	110	F321 R418 R424 Y425	F321-S331 CarbonylContact O-C 3.6Å; F321-S331 VanDerWaalsContact O-CA 3.26Å; F321-S331 WeakPolarHBondContact O-CA 3.41Å; S331-R418 PolarHBondContact N-O 3.18Å; S331-R418 PolarHBondContact O-N 2.8Å; S331-R424 WeakPolarHBondContact OG-CA 3.41Å; S331-Y425 PolarHBondContact OG-N 2.97Å
332	A	96.2	Very high	90.3	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	148.3	176.8	0	0	0	0	0	110.4	F298 F321 P414 V416 V417	F298-A332 HydrophobicContact CB-CB 4.17Å; F298-A332 HydrophobicContact CD1-CB 3.79Å; F298-A332 HydrophobicContact CD2-CB 3.68Å; F298-A332 HydrophobicContact CE1-CB 4.05Å; F298-A332 HydrophobicContact CE2-CB 3.97Å; F298-A332 HydrophobicContact CG-CB 3.6Å; F298-A332 HydrophobicContact CZ-CB 4.14Å; F321-A332 PolarHBondContact N-O 3.02Å; F321-A332 PolarHBondContact O-N 2.87Å; A332-P414 HydrophobicContact CB-CB 4.04Å; A332-P414 HydrophobicContact CB-CG 4.17Å; A332-V416 CarbonylContact C-O 3.49Å; A332-V416 WeakPolarHBondContact CA-O 3.32Å; A332-V417 HydrophobicContact CB-CG2 4.49Å
333	V	97.8	Very high	90.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.6	172.1	-173.3	0	0	0	0	108.2	G319 V320 P414 L415 V416 Y425 L443 L445	G319-V333 WeakPolarHBondContact O-CA 3.48Å; V320-V333 HydrophobicContact CG2-CG2 4.4Å; V333-P414 CarbonylContact O-C 3.5Å; V333-P414 WeakPolarHBondContact O-CA 3.32Å; V333-P414 WeakPolarHBondContact O-CB 3.4Å; V333-L415 PolarHBondContact O-N 3.07Å; V333-V416 HydrophobicContact CB-CB 4.08Å; V333-V416 HydrophobicContact CB-CG2 4.48Å; V333-V416 HydrophobicContact CG2-CB 4.06Å; V333-V416 PolarHBondContact N-O 2.74Å; V333-V416 PolarHBondContact O-N 2.67Å; V333-Y425 HydrophobicContact CG2-CD2 4.36Å; V333-L443 HydrophobicContact CB-CD2 4.5Å; V333-L443 HydrophobicContact CG1-CD2 3.89Å; V333-L445 HydrophobicContact CG2-CD1 3.98Å; V333-L445 HydrophobicContact CG2-CD2 3.79Å
334	C	97.5	Very high	90.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.6	179.4	-82.9	0	0	0	0	109.9	C286 F318 G319 F321 Y336 P409	C286-C334 VanDerWaalsContact CA-SG 3.53Å; C286-C334 HydrophobicContact CB-CB 3.9Å; C286-C334 WeakPolarHBondContact CB-SG 3.42Å; C286-C334 WeakPolarHBondContact SG-CB 3.22Å; C286-C334 CovalentContact SG-SG 2.05Å; C286-C334 PolarHBondContact SG-SG 3.48Å; F318-C334 CarbonylContact C-O 3.51Å; F318-C334 WeakPolarHBondContact CA-O 3.41Å; G319-C334 PolarHBondContact N-O 2.91Å; G319-C334 PolarHBondContact O-N 2.77Å; F321-C334 HydrophobicContact CD2-CB 4.12Å; F321-C334 HydrophobicContact CE2-CB 3.82Å; C334-Y336 HydrophobicContact CB-CE2 3.67Å; C334-P409 HydrophobicContact CB-CB 3.89Å; C334-P409 HydrophobicContact CB-CG 4.44Å
335	A	97	Very high	91.2	Very high	5 Å²	5	39.8 Å²	39.8	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.1	171.9	0	0	0	0	0	109.7	V317 F318 P409 V410 L415	V317-A335 CarbonylContact O-C 3.54Å; V317-A335 WeakPolarHBondContact O-CA 3.29Å; F318-A335 HydrophobicContact CD1-CB 3.86Å; F318-A335 HydrophobicContact CE1-CB 3.72Å; F318-A335 HydrophobicContact CG-CB 4.41Å; F318-A335 HydrophobicContact CZ-CB 4.14Å; A335-P409 CarbonylContact O-C 3.52Å; A335-P409 WeakPolarHBondContact O-CA 3.49Å; A335-P409 VanDerWaalsContact O-CB 3.26Å; A335-P409 WeakPolarHBondContact O-CB 3.37Å; A335-V410 PolarHBondContact O-N 3.33Å; A335-L415 HydrophobicContact CB-CD1 3.65Å; A335-L415 HydrophobicContact CB-CG 4.26Å
336	Y	97.3	Very high	92.1	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138.5	-177.3	-55.3	-93	0	0	0	109.5	M284 V285 L316 V317 F321 C334 I407 Y408 P409	M284-Y336 HydrophobicContact CE-CD1 4.01Å; M284-Y336 HydrophobicContact CE-CD2 3.4Å; M284-Y336 VanDerWaalsContact CE-CD2 3.4Å; M284-Y336 HydrophobicContact CE-CE1 4.08Å; M284-Y336 HydrophobicContact CE-CE2 3.51Å; M284-Y336 HydrophobicContact CE-CG 3.67Å; V285-Y336 PolarHBondContact O-OH 2.95Å; L316-Y336 WeakPolarHBondContact CA-O 3.29Å; V317-Y336 PolarHBondContact N-O 2.04Å; V317-Y336 WeakPolarHBondContact O-CD2 3.45Å; V317-Y336 PolarHBondContact O-N 3.38Å; F321-Y336 AromaticContact CE2-CE2 3.89Å; F321-Y336 HydrophobicContact CE2-CE2 3.89Å; F321-Y336 AromaticContact CZ-CE2 3.86Å; F321-Y336 HydrophobicContact CZ-CE2 3.86Å; F321-Y336 AromaticContact CZ-CZ 3.96Å; F321-Y336 WeakPolarHBondContact CZ-OH 3.46Å; C334-Y336 HydrophobicContact CB-CE2 3.67Å; Y336-I407 HydrophobicContact CD1-CG2 3.73Å; Y336-I407 HydrophobicContact CE1-CG2 4.3Å; Y336-I407 HydrophobicContact CG-CG2 4.5Å; Y336-Y408 WeakPolarHBondContact CD1-O 3.42Å; Y336-P409 HydrophobicContact CD1-CB 4.1Å; Y336-P409 HydrophobicContact CE1-CB 3.86Å; Y336-P409 HydrophobicContact CE1-CG 4.49Å
337	N	95.3	Very high	93.3	Very high	58 Å²	58	37.3 Å²	37.3	31%	0.31	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	131.8	171.8	-169.1	-21.6	0	0	0	109.4	L316 A339 D340 I341 V410	L316-N337 HydrophobicContact CD2-CB 4.41Å; N337-A339 PolarHBondContact O-N 2.86Å; N337-A339 PolarHBondContact OD1-N 2.79Å; N337-D340 WeakPolarHBondContact CB-OD2 3.48Å; N337-D340 WeakPolarHBondContact O-CB 3.47Å; N337-D340 PolarHBondContact O-N 3.47Å; N337-I341 PolarHBondContact O-N 2.83Å; N337-V410 HydrophobicContact CB-CG2 4.41Å
338	M	94.4	Very high	94.5	Very high	11 Å²	11	32.9 Å²	32.9	5%	0.054	18%	0.184	C	C	.	.	H	α-helix	trans	-57.4	-31.4	175.7	-169	63.6	-161	0	0	112.1	I225 Y237 L315 D340 I341 L342	I225-M338 HydrophobicContact CB-CE 4.44Å; I225-M338 HydrophobicContact CD1-CE 4.2Å; I225-M338 HydrophobicContact CD1-SD 4.06Å; I225-M338 HydrophobicContact CG2-CE 3.9Å; I225-M338 HydrophobicContact CG2-CG 4.3Å; I225-M338 HydrophobicContact CG2-SD 4.23Å; Y237-M338 HydrophobicContact CD1-CE 4.35Å; Y237-M338 HydrophobicContact CD2-CE 4.45Å; Y237-M338 HydrophobicContact CE1-CE 3.65Å; Y237-M338 HydrophobicContact CE2-CE 3.75Å; Y237-M338 WeakPolarHBondContact OH-CE 3.26Å; L315-M338 HydrophobicContact CB-CB 3.9Å; L315-M338 HydrophobicContact CD2-CB 4.26Å; L315-M338 HydrophobicContact CD2-CG 4.12Å; L315-M338 HydrophobicContact CD2-SD 4.35Å; L315-M338 HydrophobicContact CG-CB 4.31Å; L315-M338 WeakPolarHBondContact O-CB 3.45Å; L315-M338 PolarHBondContact O-N 2.87Å; M338-D340 VanDerWaalsContact C-N 3.31Å; M338-D340 PolarHBondContact O-N 2.91Å; M338-I341 HydrophobicContact CE-CG2 4.15Å; M338-I341 WeakPolarHBondContact O-CB 3.22Å; M338-I341 PolarHBondContact O-N 3Å; M338-I341 HydrophobicContact SD-CB 4.22Å; M338-I341 HydrophobicContact SD-CD1 3.96Å; M338-I341 HydrophobicContact SD-CG2 4.32Å; M338-L342 HydrophobicContact CE-CD2 3.94Å; M338-L342 HydrophobicContact CE-CG 4.12Å; M338-L342 VanDerWaalsContact O-CG 3.3Å; M338-L342 WeakPolarHBondContact O-CG 3.32Å; M338-L342 PolarHBondContact O-N 3.35Å
339	A	93.4	Very high	95.5	Very high	48 Å²	48	29 Å²	29	40%	0.397	17%	0.166	S	C	.	.	H	α-helix	trans	-61.1	-36.7	174.7	0	0	0	0	0	113.1	N337 L342 T343	N337-A339 PolarHBondContact O-N 2.86Å; N337-A339 PolarHBondContact OD1-N 2.79Å; A339-L342 PolarHBondContact O-N 2.71Å; A339-T343 WeakPolarHBondContact O-CB 3.38Å; A339-T343 PolarHBondContact O-N 2.84Å; A339-T343 PolarHBondContact O-OG1 2.89Å
340	D	95.3	Very high	96	Very high	72 Å²	72	23.6 Å²	23.6	39%	0.385	14%	0.144	S	C	.	.	H	α-helix	trans	-72.2	-38.5	177.9	-62.1	-28.4	0	0	0	110.7	N337 M338 T343 V344	N337-D340 WeakPolarHBondContact CB-OD2 3.48Å; N337-D340 WeakPolarHBondContact O-CB 3.47Å; N337-D340 PolarHBondContact O-N 3.47Å; M338-D340 VanDerWaalsContact C-N 3.31Å; M338-D340 PolarHBondContact O-N 2.91Å; D340-T343 WeakPolarHBondContact O-CB 3.38Å; D340-T343 PolarHBondContact O-N 2.83Å; D340-V344 PolarHBondContact O-N 2.84Å; D340-V344 VanDerWaalsContact O-N 3.08Å
341	I	96.8	Very high	95.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.4	-49.3	173.2	-63.6	174.4	0	0	0	110.1	Y237 V317 N337 M338 T343 V344 F345 I407	Y237-I341 HydrophobicContact CE1-CG2 4.29Å; V317-I341 HydrophobicContact CB-CD1 4.43Å; V317-I341 HydrophobicContact CG2-CD1 3.92Å; N337-I341 PolarHBondContact O-N 2.83Å; M338-I341 HydrophobicContact CE-CG2 4.15Å; M338-I341 WeakPolarHBondContact O-CB 3.22Å; M338-I341 PolarHBondContact O-N 3Å; M338-I341 HydrophobicContact SD-CB 4.22Å; M338-I341 HydrophobicContact SD-CD1 3.96Å; M338-I341 HydrophobicContact SD-CG2 4.32Å; I341-T343 VanDerWaalsContact C-N 3.32Å; I341-T343 PolarHBondContact O-N 2.94Å; I341-V344 PolarHBondContact O-N 2.83Å; I341-F345 HydrophobicContact CG2-CD2 3.83Å; I341-F345 HydrophobicContact CG2-CE2 3.62Å; I341-F345 VanDerWaalsContact O-CD2 3.28Å; I341-F345 WeakPolarHBondContact O-CD2 3.49Å; I341-F345 PolarHBondContact O-N 2.86Å; I341-F345 VanDerWaalsContact O-N 3.14Å; I341-I407 HydrophobicContact CB-CD1 4.48Å; I341-I407 HydrophobicContact CG1-CD1 4.25Å; I341-I407 HydrophobicContact CG1-CG2 3.81Å; I341-I407 HydrophobicContact CG2-CD1 4.18Å
342	L	95	Very high	95.2	Very high	33 Å²	33	31.5 Å²	31.5	17%	0.173	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-40	178	-67.5	174.5	0	0	0	112.1	D227 Y237 M338 A339 V344 F345 N346	D227-L342 HydrophobicContact CB-CD2 4.08Å; D227-L342 WeakPolarHBondContact OD1-CD2 3.38Å; Y237-L342 WeakPolarHBondContact OH-CD2 3.38Å; M338-L342 HydrophobicContact CE-CD2 3.94Å; M338-L342 HydrophobicContact CE-CG 4.12Å; M338-L342 VanDerWaalsContact O-CG 3.3Å; M338-L342 WeakPolarHBondContact O-CG 3.32Å; M338-L342 PolarHBondContact O-N 3.35Å; A339-L342 PolarHBondContact O-N 2.71Å; L342-V344 VanDerWaalsContact C-N 3.28Å; L342-V344 PolarHBondContact O-N 2.97Å; L342-F345 PolarHBondContact O-N 3.5Å; L342-N346 WeakPolarHBondContact O-CB 3.43Å; L342-N346 PolarHBondContact O-N 2.67Å; L342-N346 PolarHBondContact O-ND2 3.3Å
343	T	96.3	Very high	93.7	Very high	93 Å²	93	36.7 Å²	36.7	57%	0.571	20%	0.203	S	C	*	.	H	α-helix	trans	-58.6	-41.6	176.5	-61.5	0	0	0	0	111.4	A339 D340 I341 N346 G347	A339-T343 WeakPolarHBondContact O-CB 3.38Å; A339-T343 PolarHBondContact O-N 2.84Å; A339-T343 PolarHBondContact O-OG1 2.89Å; D340-T343 WeakPolarHBondContact O-CB 3.38Å; D340-T343 PolarHBondContact O-N 2.83Å; I341-T343 VanDerWaalsContact C-N 3.32Å; I341-T343 PolarHBondContact O-N 2.94Å; T343-N346 CarbonylContact O-C 3.26Å; T343-N346 PolarHBondContact O-N 2.75Å; T343-G347 PolarHBondContact O-N 3.05Å; T343-G347 VanDerWaalsContact O-N 3.08Å
344	V	97.9	Very high	92	Very high	14 Å²	14	38.4 Å²	38.4	9%	0.085	22%	0.221	C	C	.	.	H	α-helix	trans	-66.3	-44.2	177.1	168.4	0	0	0	0	111.8	A282 D340 I341 L342 N346 G347 M403 N405 I407	A282-V344 HydrophobicContact CB-CG1 3.74Å; D340-V344 PolarHBondContact O-N 2.84Å; D340-V344 VanDerWaalsContact O-N 3.08Å; I341-V344 PolarHBondContact O-N 2.83Å; L342-V344 VanDerWaalsContact C-N 3.28Å; L342-V344 PolarHBondContact O-N 2.97Å; V344-N346 PolarHBondContact O-N 2.96Å; V344-G347 WeakPolarHBondContact O-CA 3.14Å; V344-G347 PolarHBondContact O-N 2.8Å; V344-M403 HydrophobicContact CG1-CB 4Å; V344-M403 HydrophobicContact CG1-CG 4.44Å; V344-M403 WeakPolarHBondContact O-CE 3.39Å; V344-N405 HydrophobicContact CG1-CB 4.34Å; V344-N405 WeakPolarHBondContact CG1-O 3.34Å; V344-N405 HydrophobicContact CG2-CB 4.3Å; V344-I407 HydrophobicContact CB-CG1 3.84Å; V344-I407 HydrophobicContact CG1-CD1 4.49Å; V344-I407 HydrophobicContact CG1-CG1 3.91Å; V344-I407 HydrophobicContact CG2-CG1 3.75Å
345	F	97.4	Very high	90.2	Very high	1 Å²	1	44 Å²	44	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-68	-23.4	177.3	-76.3	-70.7	0	0	0	114	Y237 V258 R260 L280 A282 I341 L342 G347 M403	Y237-F345 HydrophobicContact CD1-CE2 4.47Å; Y237-F345 HydrophobicContact CE1-CD2 4.36Å; Y237-F345 AromaticContact CE1-CE2 3.79Å; Y237-F345 HydrophobicContact CE1-CE2 3.79Å; Y237-F345 HydrophobicContact CE1-CZ 4.46Å; V258-F345 HydrophobicContact CG1-CE2 4.17Å; V258-F345 HydrophobicContact CG1-CZ 4.14Å; R260-F345 HydrophobicContact CB-CZ 4.43Å; R260-F345 HydrophobicContact CG-CD1 4.19Å; R260-F345 HydrophobicContact CG-CE1 3.84Å; R260-F345 HydrophobicContact CG-CE2 4.41Å; R260-F345 HydrophobicContact CG-CZ 3.96Å; R260-F345 VanDerWaalsContact CZ-CG 3.46Å; R260-F345 VanDerWaalsContact NE-CG 3.31Å; R260-F345 VanDerWaalsContact NH2-CB 3.28Å; L280-F345 HydrophobicContact CB-CD1 4.04Å; L280-F345 HydrophobicContact CB-CE1 3.97Å; A282-F345 HydrophobicContact CB-CE1 4.2Å; A282-F345 HydrophobicContact CB-CZ 4.17Å; I341-F345 HydrophobicContact CG2-CD2 3.83Å; I341-F345 HydrophobicContact CG2-CE2 3.62Å; I341-F345 VanDerWaalsContact O-CD2 3.28Å; I341-F345 WeakPolarHBondContact O-CD2 3.49Å; I341-F345 PolarHBondContact O-N 2.86Å; I341-F345 VanDerWaalsContact O-N 3.14Å; L342-F345 PolarHBondContact O-N 3.5Å; F345-G347 VanDerWaalsContact C-N 3.29Å; F345-M403 HydrophobicContact CD1-CG 3.78Å; F345-M403 HydrophobicContact CD1-SD 4.25Å; F345-M403 HydrophobicContact CE1-CG 4.25Å; F345-M403 WeakPolarHBondContact O-CE 3.29Å
346	N	95.8	Very high	88.7	Confident	94 Å²	94	49.7 Å²	49.7	50%	0.503	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.6	170.2	-66.8	-30.1	0	0	0	112.8	L342 T343 V344 R370	L342-N346 WeakPolarHBondContact O-CB 3.43Å; L342-N346 PolarHBondContact O-N 2.67Å; L342-N346 PolarHBondContact O-ND2 3.3Å; T343-N346 CarbonylContact O-C 3.26Å; T343-N346 PolarHBondContact O-N 2.75Å; V344-N346 PolarHBondContact O-N 2.96Å; N346-R370 VanDerWaalsContact O-CZ 3.28Å; N346-R370 PolarHBondContact O-NH2 3.1Å
347	G	96.6	Very high	87.4	Confident	14 Å²	14	56.8 Å²	56.8	14%	0.144	32%	0.318	C	S	.	.	S	Bend	trans	-86.1	-171.2	178.8	0	0	0	0	0	114.4	T343 V344 F345 R370 M403	T343-G347 PolarHBondContact O-N 3.05Å; T343-G347 VanDerWaalsContact O-N 3.08Å; V344-G347 WeakPolarHBondContact O-CA 3.14Å; V344-G347 PolarHBondContact O-N 2.8Å; F345-G347 VanDerWaalsContact C-N 3.29Å; G347-R370 PolarHBondContact O-NH2 3.35Å; G347-M403 WeakPolarHBondContact O-CE 3.39Å
348	P	97	Very high	86.7	Confident	42 Å²	42	60 Å²	60	27%	0.273	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-67.8	145.3	-176.1	26.5	-33	0	0	0	112.8	A361 F404	P348-A361 HydrophobicContact CB-CB 4.21Å; P348-A361 HydrophobicContact CG-CB 4.5Å; P348-F404 HydrophobicContact CB-CB 4.45Å; P348-F404 HydrophobicContact CG-CB 4.22Å; P348-F404 HydrophobicContact CG-CD1 4.29Å; P348-F404 WeakPolarHBondContact O-CB 3.28Å; P348-F404 PolarHBondContact O-N 2.53Å
349	F	97.6	Very high	86.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-77	147.9	171.8	-62	-85.6	0	0	0	110.7	L280 F362 I366 P371 F396 H400 M403	L280-F349 HydrophobicContact CD1-CE1 3.97Å; L280-F349 HydrophobicContact CD2-CD1 4.28Å; L280-F349 HydrophobicContact CD2-CE1 3.67Å; F349-F362 HydrophobicContact CB-CB 4.26Å; F349-F362 WeakPolarHBondContact O-CB 3.45Å; F349-F362 PolarHBondContact O-N 3.19Å; F349-I366 HydrophobicContact CD2-CD1 4.04Å; F349-I366 HydrophobicContact CD2-CG1 4.29Å; F349-I366 HydrophobicContact CE2-CD1 4.02Å; F349-I366 HydrophobicContact CE2-CG1 4.34Å; F349-I366 HydrophobicContact CE2-CG2 3.97Å; F349-P371 HydrophobicContact CE1-CB 4.17Å; F349-P371 HydrophobicContact CZ-CB 3.77Å; F349-P371 HydrophobicContact CZ-CG 4.34Å; F349-F396 HydrophobicContact CB-CE1 4.27Å; F349-F396 HydrophobicContact CB-CZ 4.29Å; F349-F396 HydrophobicContact CD1-CE1 4.01Å; F349-F396 AromaticContact CD2-CE1 3.6Å; F349-F396 HydrophobicContact CD2-CE1 3.6Å; F349-F396 AromaticContact CD2-CZ 3.76Å; F349-F396 HydrophobicContact CD2-CZ 3.76Å; F349-F396 HydrophobicContact CE1-CE1 4.26Å; F349-F396 AromaticContact CE2-CE1 3.88Å; F349-F396 HydrophobicContact CE2-CE1 3.88Å; F349-F396 HydrophobicContact CE2-CZ 4.32Å; F349-F396 AromaticContact CG-CE1 3.68Å; F349-F396 HydrophobicContact CG-CE1 3.68Å; F349-F396 HydrophobicContact CG-CZ 4.03Å; F349-F396 HydrophobicContact CZ-CE1 4.21Å; F349-H400 HydrophobicContact CB-CB 4.24Å; F349-H400 WeakPolarHBondContact CD1-O 3.35Å; F349-M403 HydrophobicContact CD1-CE 4.02Å; F349-M403 HydrophobicContact CD1-SD 3.8Å; F349-M403 HydrophobicContact CE1-CE 4.02Å; F349-M403 HydrophobicContact CE1-SD 3.8Å; F349-M403 HydrophobicContact CG-CE 4.43Å; F349-M403 HydrophobicContact CZ-CE 4.44Å
350	A	94.1	Very high	86	Confident	6 Å²	6	65.1 Å²	65.1	5%	0.05	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	137.6	172.3	0	0	0	0	0	110	W359 V402 F404	A350-W359 HydrophobicContact CB-CE3 3.7Å; A350-W359 HydrophobicContact CB-CZ3 3.81Å; A350-V402 HydrophobicContact CB-CB 4.14Å; A350-V402 HydrophobicContact CB-CG1 4.26Å; A350-V402 WeakPolarHBondContact CB-O 2.93Å; A350-V402 PolarHBondContact N-O 3.5Å; A350-F404 HydrophobicContact CB-CB 4.2Å
351	H	88.6	Confident	85.9	Confident	48 Å²	48	62.7 Å²	62.7	22%	0.222	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.7	178.9	-177.3	69.5	0	0	0	109.4	V360 F362 H400	H351-V360 PolarHBondContact N-O 2.84Å; H351-V360 PolarHBondContact O-N 2.93Å; H351-F362 HydrophobicContact CB-CB 3.97Å; H351-F362 HydrophobicContact CB-CD2 3.94Å; H351-F362 HydrophobicContact CB-CG 4.47Å; H351-F362 AromaticContact CG-CD2 3.86Å; H351-F362 AromaticContact ND1-CD2 3.97Å; H351-H400 AromaticContact CE1-NE2 3.69Å; H351-H400 AromaticContact CG-NE2 3.93Å; H351-H400 AromaticContact ND1-CD2 3.56Å; H351-H400 AromaticContact ND1-NE2 2.9Å; H351-H400 PolarHBondContact ND1-NE2 2.79Å
352	R	81.6	Confident	85.7	Confident	122 Å²	122	64.6 Å²	64.6	46%	0.46	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	112.8	171.1	-68.9	-171.7	-177.9	-174.5	-2	107.5	W359	R352-W359 HydrophobicContact CG-CD2 3.7Å; R352-W359 HydrophobicContact CG-CE3 3.58Å; R352-W359 HydrophobicContact CG-CG 4.39Å; R352-W359 HydrophobicContact CG-CH2 4.1Å; R352-W359 HydrophobicContact CG-CZ2 4.21Å; R352-W359 HydrophobicContact CG-CZ3 3.78Å
353	D	65.2	Low	85.5	Confident	109 Å²	109	71.2 Å²	71.2	58%	0.583	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	156.3	177.3	-155.1	-5	0	0	0	111.2	V360	D353-V360 HydrophobicContact CB-CG2 4.34Å
354	G	62.2	Low	85.3	Confident	37 Å²	37	68.7 Å²	68.7	38%	0.381	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	171.2	173.1	0	0	0	0	0	116.3	N356 F357	G354-N356 PolarHBondContact O-N 3.36Å; G354-N356 VanDerWaalsContact O-N 3.17Å; G354-F357 PolarHBondContact O-N 2.74Å
355	P	60.1	Low	85.1	Confident	118 Å²	118	78.8 Å²	78.8	77%	0.766	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.8	-174.1	25	-33.6	0	0	0	114
356	N	65.3	Low	85.1	Confident	124 Å²	124	81.4 Å²	81.4	66%	0.663	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-0.4	-178.8	-63.5	-16.2	0	0	0	113.5	G354 Q358	G354-N356 PolarHBondContact O-N 3.36Å; G354-N356 VanDerWaalsContact O-N 3.17Å; N356-Q358 HydrophobicContact CB-CG 4.12Å; N356-Q358 PolarHBondContact O-N 2.85Å; N356-Q358 VanDerWaalsContact O-N 3.15Å
357	F	70.6	Confident	85.1	Confident	148 Å²	148	77.5 Å²	77.5	65%	0.649	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	37.4	179.3	-62.3	-86.4	0	0	0	114.5	G354	G354-F357 PolarHBondContact O-N 2.74Å
358	Q	78.6	Confident	85	Confident	126 Å²	126	84.7 Å²	84.7	59%	0.589	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	144.9	179.8	-69.2	-176.6	-7.7	0	0	111.1	N356 V360	N356-Q358 HydrophobicContact CB-CG 4.12Å; N356-Q358 PolarHBondContact O-N 2.85Å; N356-Q358 VanDerWaalsContact O-N 3.15Å; Q358-V360 PolarHBondContact O-N 2.69Å
359	W	82.9	Confident	85	Confident	109 Å²	109	82.8 Å²	82.8	41%	0.413	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	121.1	174.2	-72.7	109.1	0	0	0	110.4	A350 R352 V402	A350-W359 HydrophobicContact CB-CE3 3.7Å; A350-W359 HydrophobicContact CB-CZ3 3.81Å; R352-W359 HydrophobicContact CG-CD2 3.7Å; R352-W359 HydrophobicContact CG-CE3 3.58Å; R352-W359 HydrophobicContact CG-CG 4.39Å; R352-W359 HydrophobicContact CG-CH2 4.1Å; R352-W359 HydrophobicContact CG-CZ2 4.21Å; R352-W359 HydrophobicContact CG-CZ3 3.78Å; W359-V402 HydrophobicContact CH2-CG2 4.45Å
360	V	90.6	Very high	84.9	Confident	58 Å²	58	86.6 Å²	86.6	35%	0.352	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	161.9	178.5	-63.6	0	0	0	0	110.8	H351 D353 Q358 F362 F404	H351-V360 PolarHBondContact N-O 2.84Å; H351-V360 PolarHBondContact O-N 2.93Å; D353-V360 HydrophobicContact CB-CG2 4.34Å; Q358-V360 PolarHBondContact O-N 2.69Å; V360-F362 PolarHBondContact O-N 2.99Å; V360-F404 VanDerWaalsContact C-CE2 3.45Å
361	A	93.9	Very high	85.1	Confident	20 Å²	20	86.4 Å²	86.4	17%	0.165	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.6	171.8	0	0	0	0	0	109.9	P348 Q363 F404	P348-A361 HydrophobicContact CB-CB 4.21Å; P348-A361 HydrophobicContact CG-CB 4.5Å; A361-Q363 PolarHBondContact O-N 3.37Å; A361-Q363 PolarHBondContact O-NE2 3.3Å; A361-F404 HydrophobicContact CB-CB 4.39Å; A361-F404 HydrophobicContact CB-CD1 3.66Å; A361-F404 HydrophobicContact CB-CD2 4.21Å; A361-F404 HydrophobicContact CB-CE1 3.9Å; A361-F404 HydrophobicContact CB-CE2 4.43Å; A361-F404 HydrophobicContact CB-CG 3.81Å; A361-F404 HydrophobicContact CB-CZ 4.28Å; A361-F404 VanDerWaalsContact N-CD2 3.35Å
362	F	93.5	Very high	85.4	Confident	41 Å²	41	84.4 Å²	84.4	18%	0.18	41%	0.413	C	S	.	.			trans	-60.7	120.7	176.2	-176.5	-103.1	0	0	0	110.9	F349 H351 V360 G364 I366 F396 H400	F349-F362 HydrophobicContact CB-CB 4.26Å; F349-F362 WeakPolarHBondContact O-CB 3.45Å; F349-F362 PolarHBondContact O-N 3.19Å; H351-F362 HydrophobicContact CB-CB 3.97Å; H351-F362 HydrophobicContact CB-CD2 3.94Å; H351-F362 HydrophobicContact CB-CG 4.47Å; H351-F362 AromaticContact CG-CD2 3.86Å; H351-F362 AromaticContact ND1-CD2 3.97Å; V360-F362 PolarHBondContact O-N 2.99Å; F362-G364 WeakPolarHBondContact CE1-O 3.44Å; F362-G364 VanDerWaalsContact CZ-CA 3.49Å; F362-I366 HydrophobicContact CD1-CG1 4.3Å; F362-I366 HydrophobicContact CE1-CG1 4.43Å; F362-F396 AromaticContact CD1-CE2 3.98Å; F362-F396 HydrophobicContact CD1-CE2 3.98Å; F362-F396 AromaticContact CD1-CZ 3.92Å; F362-F396 HydrophobicContact CD1-CZ 3.92Å; F362-F396 AromaticContact CE1-CE2 3.49Å; F362-F396 HydrophobicContact CE1-CE2 3.49Å; F362-F396 VanDerWaalsContact CE1-CE2 3.49Å; F362-F396 AromaticContact CE1-CZ 3.92Å; F362-F396 HydrophobicContact CE1-CZ 3.92Å; F362-F396 HydrophobicContact CE2-CE2 4.28Å; F362-F396 HydrophobicContact CG-CZ 4.39Å; F362-F396 AromaticContact CZ-CE2 3.67Å; F362-F396 HydrophobicContact CZ-CE2 3.67Å; F362-F396 HydrophobicContact CZ-CZ 4.4Å; F362-H400 AromaticContact CD2-NE2 3.99Å
363	Q	90.8	Very high	86	Confident	171 Å²	171	79.6 Å²	79.6	80%	0.799	40%	0.397	S	S	*	.			trans	-99.5	-7.7	-178.5	-60.3	-56.1	-51.7	0	0	113.6	A361	A361-Q363 PolarHBondContact O-N 3.37Å; A361-Q363 PolarHBondContact O-NE2 3.3Å
364	G	90.8	Very high	87.5	Confident	40 Å²	40	74.4 Å²	74.4	41%	0.412	37%	0.369	S	S	.	.	S	Bend	trans	-75.5	179.9	-178.9	0	0	0	0	0	113.3	F362 I366	F362-G364 WeakPolarHBondContact CE1-O 3.44Å; F362-G364 VanDerWaalsContact CZ-CA 3.49Å; G364-I366 PolarHBondContact O-N 2.73Å
365	R	94	Very high	89	Confident	227 Å²	227	72.7 Å²	72.7	86%	0.857	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-69.6	124.8	174.7	-177.3	179.3	175.4	-175.2	-1.6	110.5
366	I	96.8	Very high	90.5	Very high	56 Å²	56	67.8 Å²	67.8	29%	0.287	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-80.8	128.2	170.2	-59.9	169.7	0	0	0	108	F349 F362 G364 R370 P371	F349-I366 HydrophobicContact CD2-CD1 4.04Å; F349-I366 HydrophobicContact CD2-CG1 4.29Å; F349-I366 HydrophobicContact CE2-CD1 4.02Å; F349-I366 HydrophobicContact CE2-CG1 4.34Å; F349-I366 HydrophobicContact CE2-CG2 3.97Å; F362-I366 HydrophobicContact CD1-CG1 4.3Å; F362-I366 HydrophobicContact CE1-CG1 4.43Å; G364-I366 PolarHBondContact O-N 2.73Å; I366-R370 HydrophobicContact CG2-CG 4.31Å; I366-P371 HydrophobicContact CG2-CG 4.35Å
367	P	96.8	Very high	91.6	Very high	12 Å²	12	62 Å²	62	8%	0.078	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-71.1	165.2	-178.9	31.2	-36.6	0	0	0	112.2	P369 P371 D392 V393 F396	P367-P369 CarbonylContact O-C 3.52Å; P367-P371 HydrophobicContact CG-CG 3.93Å; P367-D392 HydrophobicContact CB-CB 4.39Å; P367-D392 WeakPolarHBondContact CB-OD2 3.41Å; P367-V393 HydrophobicContact CB-CG2 3.79Å; P367-V393 HydrophobicContact CG-CB 4.47Å; P367-V393 HydrophobicContact CG-CG2 4.05Å; P367-F396 HydrophobicContact CG-CB 3.78Å; P367-F396 HydrophobicContact CG-CD2 4.1Å; P367-F396 HydrophobicContact CG-CG 3.94Å
368	Y	95.2	Very high	92.4	Very high	164 Å²	164	57.9 Å²	57.9	64%	0.643	29%	0.285	S	S	*	.	S	Bend	trans	-117.6	137.3	178.8	-175.6	-89.8	0	0	0	111.1	F379 V393	Y368-F379 PolarHBondContact OH-O 3.43Å; Y368-V393 WeakPolarHBondContact O-CG2 3.23Å
369	P	95.8	Very high	92.9	Very high	3 Å²	3	59 Å²	59	2%	0.019	29%	0.289	C	S	.	.	S	Bend	cis	-62.9	157.6	-4.4	28.8	-37.7	0	0	0	112.6	P367 P371 T380 I383 F389 V393	P367-P369 CarbonylContact O-C 3.52Å; P369-P371 WeakPolarHBondContact O-CD 3.42Å; P369-T380 HydrophobicContact CB-CG2 3.38Å; P369-T380 HydrophobicContact CG-CG2 3.99Å; P369-I383 HydrophobicContact CG-CD1 3.91Å; P369-F389 HydrophobicContact CG-CD1 3.94Å; P369-F389 HydrophobicContact CG-CE1 3.92Å; P369-V393 WeakPolarHBondContact O-CG2 3.47Å
370	R	96.4	Very high	93.3	Very high	80 Å²	80	54.1 Å²	54.1	30%	0.302	27%	0.27	S	S	.	.			trans	-57.5	128.2	-177.2	-172	-177	-176.1	109.3	2	109.3	N346 G347 I366 G372 T373	N346-R370 VanDerWaalsContact O-CZ 3.28Å; N346-R370 PolarHBondContact O-NH2 3.1Å; G347-R370 PolarHBondContact O-NH2 3.35Å; I366-R370 HydrophobicContact CG2-CG 4.31Å; R370-G372 PolarHBondContact O-N 2.99Å; R370-T373 WeakPolarHBondContact O-CB 3.21Å; R370-T373 PolarHBondContact O-N 3.3Å; R370-T373 PolarHBondContact O-OG1 3.24Å; R370-T373 VanDerWaalsContact O-OG1 3.1Å
371	P	97.3	Very high	93.3	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.013	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.9	125.5	170.9	-35.1	39.8	0	0	0	112.3	F349 I366 P367 P369 V393 F396 V397	F349-P371 HydrophobicContact CE1-CB 4.17Å; F349-P371 HydrophobicContact CZ-CB 3.77Å; F349-P371 HydrophobicContact CZ-CG 4.34Å; I366-P371 HydrophobicContact CG2-CG 4.35Å; P367-P371 HydrophobicContact CG-CG 3.93Å; P369-P371 WeakPolarHBondContact O-CD 3.42Å; P371-V393 HydrophobicContact CG-CG1 4.42Å; P371-F396 HydrophobicContact CB-CD1 3.92Å; P371-F396 HydrophobicContact CB-CE1 4.37Å; P371-F396 HydrophobicContact CG-CB 4.28Å; P371-F396 HydrophobicContact CG-CD1 3.41Å; P371-F396 VanDerWaalsContact CG-CD1 3.41Å; P371-F396 HydrophobicContact CG-CE1 3.96Å; P371-F396 HydrophobicContact CG-CG 4.01Å; P371-V397 HydrophobicContact CB-CG2 3.56Å; P371-V397 HydrophobicContact CG-CG2 4.34Å
372	G	94.9	Very high	93.3	Very high	5 Å²	5	60.6 Å²	60.6	5%	0.052	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	-3.4	-177	0	0	0	0	0	116.3	K235 R370	K235-G372 VanDerWaalsContact CE-O 3.31Å; K235-G372 WeakPolarHBondContact CE-O 3.19Å; R370-G372 PolarHBondContact O-N 2.99Å
373	T	94.9	Very high	93.3	Very high	21 Å²	21	60.1 Å²	60.1	13%	0.129	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-72.9	143.5	171.1	-63.6	0	0	0	0	111.5	R370 F379 T380 F389	R370-T373 WeakPolarHBondContact O-CB 3.21Å; R370-T373 PolarHBondContact O-N 3.3Å; R370-T373 PolarHBondContact O-OG1 3.24Å; R370-T373 VanDerWaalsContact O-OG1 3.1Å; T373-F379 HydrophobicContact CG2-CB 4.24Å; T373-T380 HydrophobicContact CG2-CG2 3.83Å; T373-F389 WeakPolarHBondContact O-CZ 3.49Å
374	C	95.3	Very high	93.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-86.8	139.3	179.4	-56.8	0	0	0	0	111.4	N232 K235 C262 G377 T380	N232-C374 VanDerWaalsContact O-CB 3.23Å; N232-C374 WeakPolarHBondContact O-CB 3.48Å; K235-C374 VanDerWaalsContact CE-SG 3.59Å; C262-C374 HydrophobicContact CB-CB 3.73Å; C262-C374 WeakPolarHBondContact CB-SG 3.46Å; C262-C374 WeakPolarHBondContact SG-CA 3.14Å; C262-C374 WeakPolarHBondContact SG-CB 3.4Å; C262-C374 CovalentContact SG-SG 2.03Å; C262-C374 PolarHBondContact SG-SG 3.41Å; C374-G377 PolarHBondContact O-N 3.1Å; C374-T380 PolarHBondContact O-OG1 3.31Å
375	P	94.7	Very high	93.5	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	143.1	175	31.3	-36.8	0	0	0	110.3	N264 G377 I383 T386 F389	N264-P375 PolarHBondContact ND2-O 3.14Å; N264-P375 WeakPolarHBondContact OD1-CD 3.5Å; P375-G377 PolarHBondContact O-N 3.18Å; P375-I383 CarbonylContact C-O 3.32Å; P375-I383 WeakPolarHBondContact CA-O 3.48Å; P375-I383 HydrophobicContact CB-CG2 4.29Å; P375-I383 WeakPolarHBondContact CB-O 3.16Å; P375-T386 HydrophobicContact CB-CG2 4.4Å; P375-T386 HydrophobicContact CG-CG2 3.67Å; P375-F389 HydrophobicContact CB-CZ 4.4Å
376	G	91.1	Very high	93.5	Very high	16 Å²	16	47.9 Å²	47.9	17%	0.165	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	5.5	-178.3	0	0	0	0	0	114.6	N232 T380 I383	N232-G376 WeakPolarHBondContact CB-O 3.46Å; N232-G376 PolarHBondContact ND2-O 3.06Å; G376-T380 WeakPolarHBondContact CA-O 3.39Å; G376-T380 PolarHBondContact N-O 3.16Å; G376-I383 PolarHBondContact N-O 2.78Å
377	G	89.1	Confident	93.5	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.01	25%	0.253	C	S	.	.	S	Bend	trans	-78.6	177.8	173.7	0	0	0	0	0	113	D233 C374 P375 F379 T380	D233-G377 WeakPolarHBondContact OD1-CA 3.3Å; C374-G377 PolarHBondContact O-N 3.1Å; P375-G377 PolarHBondContact O-N 3.18Å; G377-F379 PolarHBondContact O-N 3.13Å; G377-T380 CarbonylContact O-C 3.21Å; G377-T380 VanDerWaalsContact O-C 3.29Å; G377-T380 PolarHBondContact O-N 3.09Å
378	A	88.2	Confident	93.4	Very high	63 Å²	63	54.1 Å²	54.1	52%	0.521	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.7	-171.1	0	0	0	0	0	113.9	D230 D233	D230-A378 HydrophobicContact CB-CB 4.37Å; D233-A378 WeakPolarHBondContact OD2-CB 3.46Å; D233-A378 PolarHBondContact OD2-N 2.88Å; D233-A378 VanDerWaalsContact OD2-N 3.09Å
379	F	87.4	Confident	93.5	Very high	150 Å²	150	46.9 Å²	46.9	66%	0.658	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-10.3	-179.7	-62.2	-75.8	0	0	0	114.2	Y368 T373 G377	Y368-F379 PolarHBondContact OH-O 3.43Å; T373-F379 HydrophobicContact CG2-CB 4.24Å; G377-F379 PolarHBondContact O-N 3.13Å
380	T	91.6	Very high	93.5	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.031	26%	0.26	C	S	.	.			trans	-140.2	60.7	178.9	54.4	0	0	0	0	110.6	P369 T373 C374 G376 G377 D382 I383	P369-T380 HydrophobicContact CB-CG2 3.38Å; P369-T380 HydrophobicContact CG-CG2 3.99Å; T373-T380 HydrophobicContact CG2-CG2 3.83Å; C374-T380 PolarHBondContact O-OG1 3.31Å; G376-T380 WeakPolarHBondContact CA-O 3.39Å; G376-T380 PolarHBondContact N-O 3.16Å; G377-T380 CarbonylContact O-C 3.21Å; G377-T380 VanDerWaalsContact O-C 3.29Å; G377-T380 PolarHBondContact O-N 3.09Å; T380-D382 PolarHBondContact O-N 2.82Å; T380-I383 HydrophobicContact CG2-CD1 4.07Å; T380-I383 PolarHBondContact O-N 2.87Å
381	P	90.6	Very high	93.5	Very high	75 Å²	75	48.5 Å²	48.5	49%	0.487	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.5	-176.2	26.3	-34.8	0	0	0	112.4	H384	P381-H384 PolarHBondContact O-CE1 3.36Å
382	D	93.8	Very high	93.4	Very high	140 Å²	140	52.7 Å²	52.7	75%	0.749	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-8.1	-176.2	-53.1	-48.9	0	0	0	113.9	T380	T380-D382 PolarHBondContact O-N 2.82Å
383	I	93.6	Very high	93.5	Very high	31 Å²	31	52.6 Å²	52.6	16%	0.159	28%	0.283	C	S	.	.			trans	-102.7	107.2	180	-58.7	177.5	0	0	0	108.3	P369 P375 G376 T380 T385 E388 F389	P369-I383 HydrophobicContact CG-CD1 3.91Å; P375-I383 CarbonylContact C-O 3.32Å; P375-I383 WeakPolarHBondContact CA-O 3.48Å; P375-I383 HydrophobicContact CB-CG2 4.29Å; P375-I383 WeakPolarHBondContact CB-O 3.16Å; G376-I383 PolarHBondContact N-O 2.78Å; T380-I383 HydrophobicContact CG2-CD1 4.07Å; T380-I383 PolarHBondContact O-N 2.87Å; I383-T385 WeakPolarHBondContact CG2-O 3.42Å; I383-E388 HydrophobicContact CG2-CB 4.02Å; I383-F389 HydrophobicContact CD1-CD1 4.23Å; I383-F389 HydrophobicContact CD1-CE1 4.31Å; I383-F389 HydrophobicContact CG2-CD1 3.83Å; I383-F389 HydrophobicContact CG2-CE1 3.75Å
384	H	91.1	Very high	93.6	Very high	145 Å²	145	51.7 Å²	51.7	67%	0.671	28%	0.277	S	S	*	.			trans	-90.5	-18.2	-173.3	-63.6	-47.6	0	0	0	113.6	P381 E388	P381-H384 PolarHBondContact O-CE1 3.36Å; H384-E388 PolarHBondContact N-OE2 2.73Å; H384-E388 VanDerWaalsContact N-OE2 3.13Å
385	T	94.3	Very high	93.6	Very high	36 Å²	36	54.8 Å²	54.8	22%	0.221	29%	0.294	C	S	.	.	S	Bend	trans	-143.2	149.1	179.5	173.9	0	0	0	0	111.7	T266 I383 K387 E388	T266-T385 PolarHBondContact OG1-OG1 3.27Å; T266-T385 VanDerWaalsContact OG1-OG1 3.06Å; I383-T385 WeakPolarHBondContact CG2-O 3.42Å; T385-K387 HydrophobicContact CG2-CB 4.08Å; T385-K387 PolarHBondContact O-N 3.03Å; T385-K387 VanDerWaalsContact O-N 3.13Å; T385-K387 PolarHBondContact OG1-N 2.93Å; T385-E388 HydrophobicContact CG2-CB 4.43Å; T385-E388 HydrophobicContact CG2-CG 3.77Å; T385-E388 WeakPolarHBondContact CG2-OE1 3.44Å; T385-E388 WeakPolarHBondContact O-CB 3.35Å; T385-E388 PolarHBondContact O-N 3.08Å
386	T	95.5	Very high	93.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-65.5	-12.1	175	55.9	0	0	0	0	114	D265 T266 G267 T277 T278 P375 E388 F389	D265-T386 HydrophobicContact CB-CG2 4.12Å; D265-T386 WeakPolarHBondContact OD1-CG2 3.41Å; D265-T386 PolarHBondContact OD1-OG1 2.8Å; T266-T386 PolarHBondContact N-OG1 3.39Å; T266-T386 PolarHBondContact OG1-OG1 2.68Å; G267-T386 PolarHBondContact N-OG1 2.88Å; G267-T386 PolarHBondContact O-OG1 3.35Å; T277-T386 WeakPolarHBondContact OG1-CB 3.36Å; T277-T386 WeakPolarHBondContact OG1-CG2 3.45Å; T278-T386 HydrophobicContact CG2-CG2 4.23Å; P375-T386 HydrophobicContact CB-CG2 4.4Å; P375-T386 HydrophobicContact CG-CG2 3.67Å; T386-E388 PolarHBondContact O-N 3.33Å; T386-F389 HydrophobicContact CG2-CD2 3.94Å; T386-F389 HydrophobicContact CG2-CE2 3.36Å; T386-F389 HydrophobicContact CG2-CZ 3.84Å; T386-F389 WeakPolarHBondContact O-CB 3.4Å; T386-F389 PolarHBondContact O-N 3.35Å
387	K	95.4	Very high	93.9	Very high	93 Å²	93	54.9 Å²	54.9	40%	0.404	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-68.7	-22.8	171	-68.4	-178.1	174.6	-172.1	0	113.3	Q269 T385 F389	Q269-K387 HydrophobicContact CB-CB 4.27Å; Q269-K387 WeakPolarHBondContact CB-O 3.44Å; T385-K387 HydrophobicContact CG2-CB 4.08Å; T385-K387 PolarHBondContact O-N 3.03Å; T385-K387 VanDerWaalsContact O-N 3.13Å; T385-K387 PolarHBondContact OG1-N 2.93Å; K387-F389 VanDerWaalsContact C-N 3.3Å
388	E	95.9	Very high	94.2	Very high	105 Å²	105	59.4 Å²	59.4	49%	0.491	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-85.8	-4.6	176.5	-70.2	161.8	-166.8	0	0	112.1	I383 H384 T385 T386	I383-E388 HydrophobicContact CG2-CB 4.02Å; H384-E388 PolarHBondContact N-OE2 2.73Å; H384-E388 VanDerWaalsContact N-OE2 3.13Å; T385-E388 HydrophobicContact CG2-CB 4.43Å; T385-E388 HydrophobicContact CG2-CG 3.77Å; T385-E388 WeakPolarHBondContact CG2-OE1 3.44Å; T385-E388 WeakPolarHBondContact O-CB 3.35Å; T385-E388 PolarHBondContact O-N 3.08Å; T386-E388 PolarHBondContact O-N 3.33Å
389	F	96.6	Very high	94.5	Very high	13 Å²	13	60 Å²	60	6%	0.057	30%	0.301	C	S	.	.	S	Bend	trans	-62.5	134.7	175.9	-72.2	-20.4	0	0	0	111.4	T278 P369 T373 P375 I383 T386 K387 V394	T278-F389 HydrophobicContact CG2-CE2 4.09Å; P369-F389 HydrophobicContact CG-CD1 3.94Å; P369-F389 HydrophobicContact CG-CE1 3.92Å; T373-F389 WeakPolarHBondContact O-CZ 3.49Å; P375-F389 HydrophobicContact CB-CZ 4.4Å; I383-F389 HydrophobicContact CD1-CD1 4.23Å; I383-F389 HydrophobicContact CD1-CE1 4.31Å; I383-F389 HydrophobicContact CG2-CD1 3.83Å; I383-F389 HydrophobicContact CG2-CE1 3.75Å; T386-F389 HydrophobicContact CG2-CD2 3.94Å; T386-F389 HydrophobicContact CG2-CE2 3.36Å; T386-F389 HydrophobicContact CG2-CZ 3.84Å; T386-F389 WeakPolarHBondContact O-CB 3.4Å; T386-F389 PolarHBondContact O-N 3.35Å; K387-F389 VanDerWaalsContact C-N 3.3Å; F389-V394 HydrophobicContact CB-CG2 3.99Å
390	P	96.4	Very high	94.9	Very high	51 Å²	51	54 Å²	54	33%	0.331	28%	0.275	S	S	.	.			trans	-53.2	145.1	173.4	-30.7	38.6	0	0	0	113.6	D392 V393 V394	P390-D392 WeakPolarHBondContact CB-OD1 3.28Å; P390-D392 PolarHBondContact O-N 3.08Å; P390-V393 HydrophobicContact CB-CG2 4.19Å; P390-V393 HydrophobicContact CG-CG2 4.41Å; P390-V393 WeakPolarHBondContact O-CB 3.48Å; P390-V393 PolarHBondContact O-N 3.28Å; P390-V393 VanDerWaalsContact O-N 3.1Å; P390-V394 PolarHBondContact O-N 2.96Å
391	D	95.4	Very high	95.1	Very high	66 Å²	66	53.8 Å²	53.8	35%	0.353	27%	0.274	S	S	.	.	H	α-helix	trans	-59.4	-31.2	-178.1	-79	-28.8	0	0	0	112.1	R270 N395	R270-D391 IonicContact NH1-OD2 2.68Å; R270-D391 PolarHBondContact NH1-OD2 3.23Å; D391-N395 VanDerWaalsContact O-CB 3.24Å; D391-N395 WeakPolarHBondContact O-CB 3.3Å; D391-N395 PolarHBondContact O-N 3.38Å; D391-N395 PolarHBondContact O-ND2 3.26Å; D391-N395 VanDerWaalsContact O-ND2 3.1Å
392	D	95.8	Very high	95.4	Very high	89 Å²	89	51.3 Å²	51.3	48%	0.476	26%	0.257	S	S	.	.	H	α-helix	trans	-68.6	-39	176.5	65.7	-24.1	0	0	0	112.5	P367 P390 F396	P367-D392 HydrophobicContact CB-CB 4.39Å; P367-D392 WeakPolarHBondContact CB-OD2 3.41Å; P390-D392 WeakPolarHBondContact CB-OD1 3.28Å; P390-D392 PolarHBondContact O-N 3.08Å; D392-F396 WeakPolarHBondContact O-CB 3.17Å; D392-F396 PolarHBondContact O-N 3.44Å
393	V	97.1	Very high	95.6	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-49	172.8	178.2	0	0	0	0	110.8	P367 Y368 P369 P371 P390 N395 F396 V397	P367-V393 HydrophobicContact CB-CG2 3.79Å; P367-V393 HydrophobicContact CG-CB 4.47Å; P367-V393 HydrophobicContact CG-CG2 4.05Å; Y368-V393 WeakPolarHBondContact O-CG2 3.23Å; P369-V393 WeakPolarHBondContact O-CG2 3.47Å; P371-V393 HydrophobicContact CG-CG1 4.42Å; P390-V393 HydrophobicContact CB-CG2 4.19Å; P390-V393 HydrophobicContact CG-CG2 4.41Å; P390-V393 WeakPolarHBondContact O-CB 3.48Å; P390-V393 PolarHBondContact O-N 3.28Å; P390-V393 VanDerWaalsContact O-N 3.1Å; V393-N395 PolarHBondContact O-N 3.26Å; V393-F396 WeakPolarHBondContact O-CB 3.3Å; V393-F396 PolarHBondContact O-N 3.38Å; V393-V397 WeakPolarHBondContact O-CG2 3.18Å; V393-V397 PolarHBondContact O-N 2.99Å
394	V	97.1	Very high	95.7	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-43.8	-178.9	178.7	0	0	0	0	111.1	L272 T277 F389 P390 F396 R398	L272-V394 HydrophobicContact CB-CG1 3.93Å; L272-V394 HydrophobicContact CD1-CG1 3.87Å; L272-V394 HydrophobicContact CG-CG1 3.96Å; T277-V394 HydrophobicContact CG2-CG1 4.27Å; T277-V394 HydrophobicContact CG2-CG2 4.32Å; F389-V394 HydrophobicContact CB-CG2 3.99Å; P390-V394 PolarHBondContact O-N 2.96Å; V394-F396 VanDerWaalsContact C-N 3.32Å; V394-F396 PolarHBondContact O-N 3Å; V394-R398 PolarHBondContact O-N 3.23Å
395	N	95.4	Very high	96	Very high	65 Å²	65	44 Å²	44	35%	0.348	22%	0.219	S	C	.	.	H	α-helix	trans	-67.5	-32.6	176.4	-72.3	-27	0	0	0	112.3	S271 D391 V393 N399	S271-N395 PolarHBondContact OG-OD1 3.25Å; S271-N395 VanDerWaalsContact OG-OD1 3.11Å; D391-N395 VanDerWaalsContact O-CB 3.24Å; D391-N395 WeakPolarHBondContact O-CB 3.3Å; D391-N395 PolarHBondContact O-N 3.38Å; D391-N395 PolarHBondContact O-ND2 3.26Å; D391-N395 VanDerWaalsContact O-ND2 3.1Å; V393-N395 PolarHBondContact O-N 3.26Å; N395-N399 PolarHBondContact O-N 3.49Å; N395-N399 PolarHBondContact O-ND2 2.96Å
396	F	96.6	Very high	96.2	Very high	18 Å²	18	43.7 Å²	43.7	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-65.2	-51.7	176.3	-170.8	-80.4	0	0	0	111.3	F349 F362 P367 P371 D392 V393 V394 R398 N399 H400	F349-F396 HydrophobicContact CB-CE1 4.27Å; F349-F396 HydrophobicContact CB-CZ 4.29Å; F349-F396 HydrophobicContact CD1-CE1 4.01Å; F349-F396 AromaticContact CD2-CE1 3.6Å; F349-F396 HydrophobicContact CD2-CE1 3.6Å; F349-F396 AromaticContact CD2-CZ 3.76Å; F349-F396 HydrophobicContact CD2-CZ 3.76Å; F349-F396 HydrophobicContact CE1-CE1 4.26Å; F349-F396 AromaticContact CE2-CE1 3.88Å; F349-F396 HydrophobicContact CE2-CE1 3.88Å; F349-F396 HydrophobicContact CE2-CZ 4.32Å; F349-F396 AromaticContact CG-CE1 3.68Å; F349-F396 HydrophobicContact CG-CE1 3.68Å; F349-F396 HydrophobicContact CG-CZ 4.03Å; F349-F396 HydrophobicContact CZ-CE1 4.21Å; F362-F396 AromaticContact CD1-CE2 3.98Å; F362-F396 HydrophobicContact CD1-CE2 3.98Å; F362-F396 AromaticContact CD1-CZ 3.92Å; F362-F396 HydrophobicContact CD1-CZ 3.92Å; F362-F396 AromaticContact CE1-CE2 3.49Å; F362-F396 HydrophobicContact CE1-CE2 3.49Å; F362-F396 VanDerWaalsContact CE1-CE2 3.49Å; F362-F396 AromaticContact CE1-CZ 3.92Å; F362-F396 HydrophobicContact CE1-CZ 3.92Å; F362-F396 HydrophobicContact CE2-CE2 4.28Å; F362-F396 HydrophobicContact CG-CZ 4.39Å; F362-F396 AromaticContact CZ-CE2 3.67Å; F362-F396 HydrophobicContact CZ-CE2 3.67Å; F362-F396 HydrophobicContact CZ-CZ 4.4Å; P367-F396 HydrophobicContact CG-CB 3.78Å; P367-F396 HydrophobicContact CG-CD2 4.1Å; P367-F396 HydrophobicContact CG-CG 3.94Å; P371-F396 HydrophobicContact CB-CD1 3.92Å; P371-F396 HydrophobicContact CB-CE1 4.37Å; P371-F396 HydrophobicContact CG-CB 4.28Å; P371-F396 HydrophobicContact CG-CD1 3.41Å; P371-F396 VanDerWaalsContact CG-CD1 3.41Å; P371-F396 HydrophobicContact CG-CE1 3.96Å; P371-F396 HydrophobicContact CG-CG 4.01Å; D392-F396 WeakPolarHBondContact O-CB 3.17Å; D392-F396 PolarHBondContact O-N 3.44Å; V393-F396 WeakPolarHBondContact O-CB 3.3Å; V393-F396 PolarHBondContact O-N 3.38Å; V394-F396 VanDerWaalsContact C-N 3.32Å; V394-F396 PolarHBondContact O-N 3Å; F396-R398 VanDerWaalsContact C-N 3.28Å; F396-R398 PolarHBondContact O-N 3.04Å; F396-N399 PolarHBondContact O-N 3.19Å; F396-H400 HydrophobicContact CD1-CB 4.01Å; F396-H400 AromaticContact CD2-ND1 3.86Å; F396-H400 HydrophobicContact CE1-CB 3.64Å; F396-H400 AromaticContact CE2-ND1 3.86Å; F396-H400 AromaticContact CG-ND1 3.96Å; F396-H400 HydrophobicContact CZ-CB 4.08Å; F396-H400 AromaticContact CZ-ND1 3.97Å; F396-H400 PolarHBondContact O-N 3Å; F396-H400 PolarHBondContact O-ND1 3.3Å
397	V	96.1	Very high	96.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.9	-43	179.2	172.1	0	0	0	0	111.1	T277 P371 V393 N399 H400	T277-V397 WeakPolarHBondContact O-CG2 3.31Å; P371-V397 HydrophobicContact CB-CG2 3.56Å; P371-V397 HydrophobicContact CG-CG2 4.34Å; V393-V397 WeakPolarHBondContact O-CG2 3.18Å; V393-V397 PolarHBondContact O-N 2.99Å; V397-N399 PolarHBondContact O-N 2.92Å; V397-N399 VanDerWaalsContact O-N 3.17Å; V397-H400 PolarHBondContact O-N 2.65Å
398	R	95.4	Very high	96.4	Very high	96 Å²	96	42.6 Å²	42.6	36%	0.362	21%	0.214	S	C	.	.	H	α-helix	trans	-55.1	-37	178.4	-171.6	173.8	-175	-162.7	-4.9	113.1	D207 W213 L272 V394 F396	D207-R398 IonicContact OD2-NE 3.55Å; D207-R398 PolarHBondContact OD2-NE 3.49Å; D207-R398 IonicContact OD2-NH2 2.91Å; W213-R398 PolarHBondContact NE1-O 2.77Å; L272-R398 HydrophobicContact CD1-CB 4.07Å; L272-R398 HydrophobicContact CD2-CB 4.32Å; L272-R398 HydrophobicContact CD2-CG 4.03Å; L272-R398 HydrophobicContact CG-CB 4.39Å; V394-R398 PolarHBondContact O-N 3.23Å; F396-R398 VanDerWaalsContact C-N 3.28Å; F396-R398 PolarHBondContact O-N 3.04Å
399	N	93.4	Very high	96.4	Very high	76 Å²	76	37.8 Å²	37.8	41%	0.406	19%	0.192	S	C	.	.	H	α-helix	trans	-98.8	-21.9	-172.8	-70.4	-52.5	0	0	0	114.1	N395 F396 V397 P401	N395-N399 PolarHBondContact O-N 3.49Å; N395-N399 PolarHBondContact O-ND2 2.96Å; F396-N399 PolarHBondContact O-N 3.19Å; V397-N399 PolarHBondContact O-N 2.92Å; V397-N399 VanDerWaalsContact O-N 3.17Å; N399-P401 VanDerWaalsContact C-CD 3.41Å
400	H	95.4	Very high	96.2	Very high	23 Å²	23	40.6 Å²	40.6	11%	0.106	21%	0.21	C	C	.	.			trans	-129.4	55.7	-176.2	-53	94.9	0	0	0	112.8	F349 H351 F362 F396 V397 V402	F349-H400 HydrophobicContact CB-CB 4.24Å; F349-H400 WeakPolarHBondContact CD1-O 3.35Å; H351-H400 AromaticContact CE1-NE2 3.69Å; H351-H400 AromaticContact CG-NE2 3.93Å; H351-H400 AromaticContact ND1-CD2 3.56Å; H351-H400 AromaticContact ND1-NE2 2.9Å; H351-H400 PolarHBondContact ND1-NE2 2.79Å; F362-H400 AromaticContact CD2-NE2 3.99Å; F396-H400 HydrophobicContact CD1-CB 4.01Å; F396-H400 AromaticContact CD2-ND1 3.86Å; F396-H400 HydrophobicContact CE1-CB 3.64Å; F396-H400 AromaticContact CE2-ND1 3.86Å; F396-H400 AromaticContact CG-ND1 3.96Å; F396-H400 HydrophobicContact CZ-CB 4.08Å; F396-H400 AromaticContact CZ-ND1 3.97Å; F396-H400 PolarHBondContact O-N 3Å; F396-H400 PolarHBondContact O-ND1 3.3Å; V397-H400 PolarHBondContact O-N 2.65Å; H400-V402 PolarHBondContact O-N 2.87Å
401	P	96.3	Very high	95.8	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.013	22%	0.224	C	C	.	.			trans	-76	-8.1	-179.9	32.9	-37.4	0	0	0	113.5	K212 W213 F279 L280 K281 N399	K212-P401 HydrophobicContact CB-CG 3.98Å; K212-P401 WeakPolarHBondContact O-CG 3.17Å; W213-P401 HydrophobicContact CG-CG 4.36Å; F279-P401 HydrophobicContact CD1-CB 3.91Å; F279-P401 HydrophobicContact CE1-CB 4.04Å; L280-P401 CarbonylContact C-O 3.57Å; L280-P401 VanDerWaalsContact CA-O 3.3Å; L280-P401 WeakPolarHBondContact CA-O 3.36Å; K281-P401 PolarHBondContact N-O 3.14Å; N399-P401 VanDerWaalsContact C-CD 3.41Å
402	V	96.6	Very high	95.7	Very high	22 Å²	22	45.6 Å²	45.6	13%	0.133	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-105.7	134.8	-172.3	-169.3	0	0	0	0	110.5	M257 K281 A350 W359 H400	M257-V402 HydrophobicContact CE-CG1 4.43Å; K281-V402 HydrophobicContact CD-CG2 4.39Å; K281-V402 VanDerWaalsContact CE-CG2 3.41Å; K281-V402 HydrophobicContact CG-CG2 4.07Å; K281-V402 CarbonylContact O-C 3.59Å; K281-V402 WeakPolarHBondContact O-CA 3.37Å; A350-V402 HydrophobicContact CB-CB 4.14Å; A350-V402 HydrophobicContact CB-CG1 4.26Å; A350-V402 WeakPolarHBondContact CB-O 2.93Å; A350-V402 PolarHBondContact N-O 3.5Å; W359-V402 HydrophobicContact CH2-CG2 4.45Å; H400-V402 PolarHBondContact O-N 2.87Å
403	M	98.1	Very high	95.4	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.03	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-80.3	143.2	171.5	-51.7	-47.5	-60.7	0	0	110.8	L280 K281 A282 V344 F345 G347 F349	L280-M403 HydrophobicContact CD1-SD 4.13Å; L280-M403 HydrophobicContact CD2-SD 4.5Å; K281-M403 WeakPolarHBondContact O-CG 3.23Å; K281-M403 PolarHBondContact O-N 2.9Å; A282-M403 HydrophobicContact CB-CB 3.95Å; A282-M403 HydrophobicContact CB-CG 3.95Å; V344-M403 HydrophobicContact CG1-CB 4Å; V344-M403 HydrophobicContact CG1-CG 4.44Å; V344-M403 WeakPolarHBondContact O-CE 3.39Å; F345-M403 HydrophobicContact CD1-CG 3.78Å; F345-M403 HydrophobicContact CD1-SD 4.25Å; F345-M403 HydrophobicContact CE1-CG 4.25Å; F345-M403 WeakPolarHBondContact O-CE 3.29Å; G347-M403 WeakPolarHBondContact O-CE 3.39Å; F349-M403 HydrophobicContact CD1-CE 4.02Å; F349-M403 HydrophobicContact CD1-SD 3.8Å; F349-M403 HydrophobicContact CE1-CE 4.02Å; F349-M403 HydrophobicContact CE1-SD 3.8Å; F349-M403 HydrophobicContact CG-CE 4.43Å; F349-M403 HydrophobicContact CZ-CE 4.44Å
404	F	96.4	Very high	95.3	Very high	87 Å²	87	46.2 Å²	46.2	38%	0.382	23%	0.234	S	C	.	.	S	Bend	trans	-75.9	-44.1	-178	176.9	-103.6	0	0	0	112.6	P348 A350 V360 A361	P348-F404 HydrophobicContact CB-CB 4.45Å; P348-F404 HydrophobicContact CG-CB 4.22Å; P348-F404 HydrophobicContact CG-CD1 4.29Å; P348-F404 WeakPolarHBondContact O-CB 3.28Å; P348-F404 PolarHBondContact O-N 2.53Å; A350-F404 HydrophobicContact CB-CB 4.2Å; V360-F404 VanDerWaalsContact C-CE2 3.45Å; A361-F404 HydrophobicContact CB-CB 4.39Å; A361-F404 HydrophobicContact CB-CD1 3.66Å; A361-F404 HydrophobicContact CB-CD2 4.21Å; A361-F404 HydrophobicContact CB-CE1 3.9Å; A361-F404 HydrophobicContact CB-CE2 4.43Å; A361-F404 HydrophobicContact CB-CG 3.81Å; A361-F404 HydrophobicContact CB-CZ 4.28Å; A361-F404 VanDerWaalsContact N-CD2 3.35Å
405	N	97.6	Very high	95.1	Very high	71 Å²	71	47.8 Å²	47.8	38%	0.38	24%	0.242	S	C	.	.	S	Bend	trans	-73.5	142.4	178.8	-68.8	-15.9	0	0	0	110.5	V344	V344-N405 HydrophobicContact CG1-CB 4.34Å; V344-N405 WeakPolarHBondContact CG1-O 3.34Å; V344-N405 HydrophobicContact CG2-CB 4.3Å
406	A	97.1	Very high	95	Very high	29 Å²	29	44.8 Å²	44.8	24%	0.24	23%	0.226	C	C	.	.			trans	-91	153.1	172.7	0	0	0	0	0	111.6	R283 V285 Y408	R283-A406 HydrophobicContact CB-CB 4.4Å; R283-A406 WeakPolarHBondContact O-CA 3.15Å; V285-A406 HydrophobicContact CG2-CB 3.68Å; A406-Y408 HydrophobicContact CB-CE2 4.14Å
407	I	98.4	Very high	94.8	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-91.5	114.3	177	-57.8	158.7	0	0	0	107.8	V258 A282 R283 M284 V285 Y336 I341 V344	V258-I407 HydrophobicContact CG1-CD1 3.37Å; A282-I407 HydrophobicContact CB-CD1 3.74Å; A282-I407 HydrophobicContact CB-CG1 4.33Å; R283-I407 PolarHBondContact O-N 2.9Å; M284-I407 HydrophobicContact CG-CB 4.34Å; M284-I407 HydrophobicContact CG-CD1 4.03Å; V285-I407 PolarHBondContact N-O 2.85Å; Y336-I407 HydrophobicContact CD1-CG2 3.73Å; Y336-I407 HydrophobicContact CE1-CG2 4.3Å; Y336-I407 HydrophobicContact CG-CG2 4.5Å; I341-I407 HydrophobicContact CB-CD1 4.48Å; I341-I407 HydrophobicContact CG1-CD1 4.25Å; I341-I407 HydrophobicContact CG1-CG2 3.81Å; I341-I407 HydrophobicContact CG2-CD1 4.18Å; V344-I407 HydrophobicContact CB-CG1 3.84Å; V344-I407 HydrophobicContact CG1-CD1 4.49Å; V344-I407 HydrophobicContact CG1-CG1 3.91Å; V344-I407 HydrophobicContact CG2-CG1 3.75Å
408	Y	97.3	Very high	94.6	Very high	67 Å²	67	46.6 Å²	46.6	26%	0.263	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-97.4	153.2	175.9	-77.9	-91.6	0	0	0	111.2	V285 Y336 A406 R412	V285-Y408 HydrophobicContact CB-CD1 4.19Å; V285-Y408 HydrophobicContact CB-CE1 4.1Å; V285-Y408 HydrophobicContact CG1-CD1 4.04Å; V285-Y408 HydrophobicContact CG1-CE1 3.66Å; Y336-Y408 WeakPolarHBondContact CD1-O 3.42Å; A406-Y408 HydrophobicContact CB-CE2 4.14Å; Y408-R412 HydrophobicContact CG-CG 4.48Å
409	P	96.2	Very high	94.3	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.026	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-73.9	166.6	-179.3	33.6	-36.3	0	0	0	110.7	V285 C334 A335 Y336 G411 R412 R413	V285-P409 VanDerWaalsContact O-CD 3.26Å; V285-P409 WeakPolarHBondContact O-CD 3.47Å; C334-P409 HydrophobicContact CB-CB 3.89Å; C334-P409 HydrophobicContact CB-CG 4.44Å; A335-P409 CarbonylContact O-C 3.52Å; A335-P409 WeakPolarHBondContact O-CA 3.49Å; A335-P409 VanDerWaalsContact O-CB 3.26Å; A335-P409 WeakPolarHBondContact O-CB 3.37Å; Y336-P409 HydrophobicContact CD1-CB 4.1Å; Y336-P409 HydrophobicContact CE1-CB 3.86Å; Y336-P409 HydrophobicContact CE1-CG 4.49Å; P409-G411 PolarHBondContact O-N 2.95Å; P409-R412 WeakPolarHBondContact O-CA 3.2Å; P409-R412 PolarHBondContact O-N 2.9Å; P409-R413 WeakPolarHBondContact CG-O 3.43Å
410	V	92.3	Very high	93.9	Very high	73 Å²	73	44.5 Å²	44.5	44%	0.442	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-53.5	123.2	174.4	177.8	0	0	0	0	109.3	A335 N337 R412	A335-V410 PolarHBondContact O-N 3.33Å; N337-V410 HydrophobicContact CB-CG2 4.41Å; V410-R412 VanDerWaalsContact C-N 3.27Å; V410-R412 PolarHBondContact O-N 2.79Å
411	G	88.8	Confident	93.5	Very high	61 Å²	61	43.9 Å²	43.9	63%	0.629	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	73.5	11.7	-176.7	0	0	0	0	0	115.2	P409 R413	P409-G411 PolarHBondContact O-N 2.95Å; G411-R413 PolarHBondContact O-N 2.85Å
412	R	91.9	Very high	93.2	Very high	161 Å²	161	48.4 Å²	48.4	61%	0.608	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	52.2	31.6	-178.6	-63	-167	172.2	-163.9	-1.6	114.3	Y408 P409 V410	Y408-R412 HydrophobicContact CG-CG 4.48Å; P409-R412 WeakPolarHBondContact O-CA 3.2Å; P409-R412 PolarHBondContact O-N 2.9Å; V410-R412 VanDerWaalsContact C-N 3.27Å; V410-R412 PolarHBondContact O-N 2.79Å
413	R	90.7	Very high	93	Very high	90 Å²	90	48.4 Å²	48.4	34%	0.34	28%	0.279	S	S	.	.	S	Bend	trans	-148.4	159	177.4	63.7	-176.1	171.9	-168	-2.2	111.3	P409 G411 S463 H465	P409-R413 WeakPolarHBondContact CG-O 3.43Å; G411-R413 PolarHBondContact O-N 2.85Å; R413-S463 PolarHBondContact NH1-O 3.42Å; R413-H465 VanDerWaalsContact CZ-CD2 3.44Å; R413-H465 PolarHBondContact NH2-CD2 3.19Å; R413-H465 PolarHBondContact NH2-NE2 3.39Å
414	P	94.2	Very high	92.8	Very high	15 Å²	15	50.7 Å²	50.7	10%	0.097	29%	0.287	C	S	.	.			trans	-71.5	153.7	172.7	-13.1	30.9	0	0	0	111.2	S287 V288 A332 V333 V417	S287-P414 WeakPolarHBondContact O-CD 3.33Å; V288-P414 HydrophobicContact CG2-CG 3.82Å; A332-P414 HydrophobicContact CB-CB 4.04Å; A332-P414 HydrophobicContact CB-CG 4.17Å; V333-P414 CarbonylContact O-C 3.5Å; V333-P414 WeakPolarHBondContact O-CA 3.32Å; V333-P414 WeakPolarHBondContact O-CB 3.4Å; P414-V417 HydrophobicContact CB-CG2 3.72Å; P414-V417 HydrophobicContact CG-CG2 3.78Å
415	L	92.7	Very high	92.8	Very high	36 Å²	36	46.6 Å²	46.6	19%	0.188	27%	0.269	C	S	.	.	S	Bend	trans	-75.4	-37	171.8	-63.9	-179.4	0	0	0	112	F318 V333 A335 V457	F318-L415 HydrophobicContact CD1-CD1 4.15Å; F318-L415 HydrophobicContact CE1-CD1 3.65Å; V333-L415 PolarHBondContact O-N 3.07Å; A335-L415 HydrophobicContact CB-CD1 3.65Å; A335-L415 HydrophobicContact CB-CG 4.26Å; L415-V457 HydrophobicContact CB-CG2 3.95Å; L415-V457 HydrophobicContact CD2-CG1 4.43Å
416	V	93.9	Very high	92.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136.7	-178.4	-179.5	0	0	0	0	108.1	A332 V333 Y425 L443 L445 V455 V457 D467	A332-V416 CarbonylContact C-O 3.49Å; A332-V416 WeakPolarHBondContact CA-O 3.32Å; V333-V416 HydrophobicContact CB-CB 4.08Å; V333-V416 HydrophobicContact CB-CG2 4.48Å; V333-V416 HydrophobicContact CG2-CB 4.06Å; V333-V416 PolarHBondContact N-O 2.74Å; V333-V416 PolarHBondContact O-N 2.67Å; V416-Y425 HydrophobicContact CG1-CE2 4Å; V416-L443 HydrophobicContact CG2-CD2 4.27Å; V416-L445 HydrophobicContact CG1-CD1 4.41Å; V416-V455 HydrophobicContact CG2-CG1 4.04Å; V416-V457 HydrophobicContact CG2-CG2 4.23Å; V416-D467 HydrophobicContact CG2-CB 4.25Å
417	V	93	Very high	92.9	Very high	50 Å²	50	43.2 Å²	43.2	30%	0.303	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	133.5	174.3	-178.9	0	0	0	0	109.4	V288 F298 A332 P414 T419	V288-V417 HydrophobicContact CG2-CG2 3.9Å; F298-V417 HydrophobicContact CZ-CG1 3.98Å; A332-V417 HydrophobicContact CB-CG2 4.49Å; P414-V417 HydrophobicContact CB-CG2 3.72Å; P414-V417 HydrophobicContact CG-CG2 3.78Å; V417-T419 HydrophobicContact CG1-CG2 3.87Å
418	R	91.9	Very high	92.9	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	116.9	173.9	-64.5	-63.7	179.2	-93.1	-2.9	109.1	G330 S331 A421 Y423 Y425 D467 V469	G330-R418 CarbonylContact C-O 3.53Å; G330-R418 WeakPolarHBondContact CA-O 3.27Å; S331-R418 PolarHBondContact N-O 3.18Å; S331-R418 PolarHBondContact O-N 2.8Å; R418-A421 HydrophobicContact CB-CB 4.35Å; R418-Y423 HydrophobicContact CG-CE2 4.41Å; R418-Y425 HydrophobicContact CB-CE2 4.32Å; R418-Y425 HydrophobicContact CG-CE2 3.52Å; R418-Y425 WeakPolarHBondContact CG-OH 3.21Å; R418-Y425 PolarHBondContact NE-OH 2.9Å; R418-D467 IonicContact CZ-OD2 2.67Å; R418-D467 IonicContact NH1-OD1 3.22Å; R418-D467 IonicContact NH1-OD2 3.46Å; R418-D467 PolarHBondContact NH1-OD2 2.67Å; R418-D467 IonicContact NH2-OD2 3.25Å; R418-D467 PolarHBondContact NH2-OD2 2.84Å; R418-V469 VanDerWaalsContact NH2-CG2 3.26Å
419	T	89.2	Confident	92.9	Very high	65 Å²	65	40 Å²	40	40%	0.399	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136	179.8	57	0	0	0	0	109.4	Q20 F328 V417 A421	Q20-T419 PolarHBondContact NE2-O 2.84Å; F328-T419 HydrophobicContact CE1-CG2 4.2Å; F328-T419 HydrophobicContact CE2-CG2 4.05Å; F328-T419 HydrophobicContact CZ-CG2 3.36Å; V417-T419 HydrophobicContact CG1-CG2 3.87Å; T419-A421 PolarHBondContact O-N 3.31Å
420	G	84.2	Confident	93	Very high	63 Å²	63	40 Å²	40	65%	0.649	24%	0.236	S	C	*	.	S	Bend	trans	67.9	18.4	-177.9	0	0	0	0	0	113.9	Q20 K329	Q20-G420 PolarHBondContact NE2-O 2.77Å; Q20-G420 VanDerWaalsContact NE2-O 3.07Å; K329-G420 PolarHBondContact O-N 3.03Å
421	A	87.8	Confident	93.1	Very high	9 Å²	9	37.1 Å²	37.1	7%	0.074	22%	0.218	C	C	.	.			trans	-72.5	149.4	172.5	0	0	0	0	0	111	Q20 R418 T419 Y423	Q20-A421 VanDerWaalsContact NE2-N 3.13Å; R418-A421 HydrophobicContact CB-CB 4.35Å; T419-A421 PolarHBondContact O-N 3.31Å; A421-Y423 HydrophobicContact CB-CD1 4.14Å; A421-Y423 HydrophobicContact CB-CD2 4.37Å; A421-Y423 HydrophobicContact CB-CE1 4.01Å; A421-Y423 HydrophobicContact CB-CE2 4.24Å; A421-Y423 HydrophobicContact CB-CG 4.31Å; A421-Y423 WeakPolarHBondContact CB-O 3.28Å; A421-Y423 PolarHBondContact O-N 2.65Å
422	S	88.8	Confident	93.4	Very high	98 Å²	98	36.8 Å²	36.8	69%	0.685	20%	0.2	S	C	*	.	S	Bend	trans	-73.4	-2.5	173.3	58.6	0	0	0	0	113.1	K449	S422-K449 WeakPolarHBondContact O-CE 3.33Å
423	Y	91.9	Very high	93.4	Very high	21 Å²	21	29.7 Å²	29.7	8%	0.082	18%	0.175	C	C	.	.	S	Bend	trans	-131.7	160	-179.8	60.5	-95.3	0	0	0	111.3	R418 A421 Y425 T447 D448 Q453	R418-Y423 HydrophobicContact CG-CE2 4.41Å; A421-Y423 HydrophobicContact CB-CD1 4.14Å; A421-Y423 HydrophobicContact CB-CD2 4.37Å; A421-Y423 HydrophobicContact CB-CE1 4.01Å; A421-Y423 HydrophobicContact CB-CE2 4.24Å; A421-Y423 HydrophobicContact CB-CG 4.31Å; A421-Y423 WeakPolarHBondContact CB-O 3.28Å; A421-Y423 PolarHBondContact O-N 2.65Å; Y423-Y425 HydrophobicContact CD2-CE1 4.31Å; Y423-Y425 HydrophobicContact CE2-CD1 4.37Å; Y423-Y425 AromaticContact CE2-CE1 3.76Å; Y423-Y425 HydrophobicContact CE2-CE1 3.76Å; Y423-Y425 AromaticContact CE2-CZ 3.96Å; Y423-T447 HydrophobicContact CD2-CG2 3.84Å; Y423-T447 HydrophobicContact CE2-CG2 4.41Å; Y423-T447 HydrophobicContact CG-CG2 4.29Å; Y423-D448 WeakPolarHBondContact CA-OD1 3.43Å; Y423-D448 WeakPolarHBondContact CB-OD1 3.32Å; Y423-Q453 VanDerWaalsContact CZ-NE2 3.31Å; Y423-Q453 PolarHBondContact OH-NE2 2.95Å; Y423-Q453 VanDerWaalsContact OH-NE2 3.11Å
424	R	94.4	Very high	93.4	Very high	54 Å²	54	30.3 Å²	30.3	20%	0.204	18%	0.182	C	C	.	.			trans	-117.8	145.2	168.6	-64	171	78	114.8	-8	109.1	T322 S323 S331 T447 D448	T322-R424 PolarHBondContact OG1-NH2 3.48Å; S323-R424 PolarHBondContact O-NH2 2.84Å; S323-R424 VanDerWaalsContact O-NH2 3.14Å; S331-R424 WeakPolarHBondContact OG-CA 3.41Å; R424-T447 CarbonylContact O-C 3.09Å; R424-T447 VanDerWaalsContact O-CA 3.25Å; R424-T447 WeakPolarHBondContact O-CA 3.45Å; R424-D448 VanDerWaalsContact N-CG 3.31Å; R424-D448 PolarHBondContact N-OD1 2.77Å; R424-D448 PolarHBondContact N-OD2 3.21Å; R424-D448 PolarHBondContact O-N 3.17Å
425	Y	97.4	Very high	93.2	Very high	1 Å²	1	30 Å²	30	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	138.6	168.7	-65	-47.6	0	0	0	110.5	V320 S331 V333 V416 R418 Y423 L445 G446 T447 Q453	V320-Y425 WeakPolarHBondContact CG1-O 3.32Å; S331-Y425 PolarHBondContact OG-N 2.97Å; V333-Y425 HydrophobicContact CG2-CD2 4.36Å; V416-Y425 HydrophobicContact CG1-CE2 4Å; R418-Y425 HydrophobicContact CB-CE2 4.32Å; R418-Y425 HydrophobicContact CG-CE2 3.52Å; R418-Y425 WeakPolarHBondContact CG-OH 3.21Å; R418-Y425 PolarHBondContact NE-OH 2.9Å; Y423-Y425 HydrophobicContact CD2-CE1 4.31Å; Y423-Y425 HydrophobicContact CE2-CD1 4.37Å; Y423-Y425 AromaticContact CE2-CE1 3.76Å; Y423-Y425 HydrophobicContact CE2-CE1 3.76Å; Y423-Y425 AromaticContact CE2-CZ 3.96Å; Y425-L445 HydrophobicContact CD1-CB 3.72Å; Y425-L445 HydrophobicContact CD1-CD1 4.29Å; Y425-L445 HydrophobicContact CD2-CD1 4.2Å; Y425-L445 HydrophobicContact CE1-CB 3.72Å; Y425-L445 HydrophobicContact CE1-CD1 3.87Å; Y425-L445 HydrophobicContact CE1-CG 4.45Å; Y425-L445 HydrophobicContact CE2-CD1 3.77Å; Y425-L445 HydrophobicContact CG-CB 4.36Å; Y425-L445 HydrophobicContact CG-CD1 4.46Å; Y425-G446 CarbonylContact C-O 3.55Å; Y425-G446 VanDerWaalsContact CA-O 3.29Å; Y425-G446 WeakPolarHBondContact CA-O 3.48Å; Y425-T447 HydrophobicContact CD1-CG2 4.09Å; Y425-T447 HydrophobicContact CE1-CG2 4.23Å; Y425-Q453 VanDerWaalsContact CE1-OE1 3.31Å; Y425-Q453 PolarHBondContact OH-OE1 3.15Å
426	T	97.4	Very high	93	Very high	28 Å²	28	31.4 Å²	31.4	17%	0.172	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-27.1	-176.1	58.6	0	0	0	0	113.2	S303 G446 D448 V482	S303-T426 WeakPolarHBondContact CB-O 3.34Å; T426-G446 PolarHBondContact N-O 2.82Å; T426-G446 PolarHBondContact OG1-O 2.85Å; T426-D448 HydrophobicContact CG2-CB 3.96Å; T426-V482 VanDerWaalsContact CB-O 3.29Å; T426-V482 WeakPolarHBondContact CB-O 3.37Å; T426-V482 PolarHBondContact OG1-O 3.26Å
427	A	97.8	Very high	92.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	153.3	-175.5	0	0	0	0	0	111.7	L445 G446 V482 L485	A427-L445 WeakPolarHBondContact O-CA 3.28Å; A427-G446 PolarHBondContact O-N 3.1Å; A427-V482 HydrophobicContact CB-CG1 4.11Å; A427-L485 HydrophobicContact CB-CB 4.22Å; A427-L485 HydrophobicContact CB-CD1 3.63Å; A427-L485 HydrophobicContact CB-CG 3.69Å
428	V	98.3	Very high	92.5	Very high	3 Å²	3	34 Å²	34	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.3	173.1	59.2	0	0	0	0	111.7	S303 F305 V320 V430 F444 L445	S303-V428 PolarHBondContact OG-N 2.83Å; F305-V428 HydrophobicContact CB-CG1 3.94Å; V320-V428 HydrophobicContact CG2-CB 3.55Å; V320-V428 HydrophobicContact CG2-CG1 3.66Å; V428-V430 HydrophobicContact CG2-CG2 3.74Å; V428-F444 WeakPolarHBondContact CA-O 3.46Å; V428-L445 HydrophobicContact CB-CD2 3.98Å; V428-L445 HydrophobicContact CG2-CD2 3.77Å
429	A	98.1	Very high	92.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.5	159.6	0	0	0	0	0	108.7	F305 F444 L485 I487 L494	F305-A429 HydrophobicContact CD2-CB 4.29Å; F305-A429 HydrophobicContact CE2-CB 4.19Å; A429-F444 HydrophobicContact CB-CB 4.46Å; A429-F444 PolarHBondContact N-O 3.35Å; A429-F444 PolarHBondContact O-N 2.86Å; A429-L485 HydrophobicContact CB-CB 4.13Å; A429-I487 HydrophobicContact CB-CB 4.04Å; A429-I487 HydrophobicContact CB-CG2 3.94Å; A429-L494 HydrophobicContact CB-CD1 4Å
430	V	97.4	Very high	92.5	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.8	-176.4	-169.4	0	0	0	0	109.9	F305 L307 F318 V428 Q441 V442 L443	F305-V430 HydrophobicContact CD1-CB 3.82Å; F305-V430 HydrophobicContact CD1-CG2 3.89Å; F305-V430 HydrophobicContact CE1-CB 3.81Å; F305-V430 HydrophobicContact CE1-CG2 4.39Å; F305-V430 WeakPolarHBondContact CE1-O 3.39Å; F305-V430 VanDerWaalsContact CZ-O 3.3Å; F305-V430 WeakPolarHBondContact CZ-O 3.31Å; L307-V430 HydrophobicContact CD2-CG1 4.04Å; F318-V430 HydrophobicContact CB-CG2 4.27Å; F318-V430 HydrophobicContact CD1-CG2 3.89Å; F318-V430 HydrophobicContact CD2-CG2 4.01Å; F318-V430 HydrophobicContact CE1-CG1 4.39Å; F318-V430 HydrophobicContact CE1-CG2 4.19Å; F318-V430 HydrophobicContact CE2-CG1 4.34Å; F318-V430 HydrophobicContact CE2-CG2 4.32Å; F318-V430 HydrophobicContact CG-CG2 3.78Å; F318-V430 HydrophobicContact CZ-CG1 4.12Å; F318-V430 HydrophobicContact CZ-CG2 4.41Å; V428-V430 HydrophobicContact CG2-CG2 3.74Å; V430-Q441 HydrophobicContact CG1-CB 4.23Å; V430-V442 WeakPolarHBondContact CA-O 3.33Å; V430-L443 HydrophobicContact CG1-CD1 4.47Å; V430-L443 HydrophobicContact CG2-CG 4.28Å
431	D	96	Very high	92.9	Very high	13 Å²	13	33.6 Å²	33.6	7%	0.07	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143.2	170.8	-161.7	20.1	0	0	0	110.7	V433 V442 F444 I487 S489 Y527	D431-V433 HydrophobicContact CB-CG2 4.09Å; D431-V442 PolarHBondContact N-O 3.47Å; D431-V442 PolarHBondContact O-N 2.89Å; D431-F444 HydrophobicContact CB-CE2 4.39Å; D431-I487 HydrophobicContact CB-CD1 3.75Å; D431-S489 VanDerWaalsContact CG-OG 3.28Å; D431-S489 WeakPolarHBondContact OD1-CB 3.29Å; D431-S489 PolarHBondContact OD1-OG 2.92Å; D431-Y527 WeakPolarHBondContact CB-OH 3.14Å; D431-Y527 VanDerWaalsContact CG-OH 3.25Å; D431-Y527 PolarHBondContact OD2-OH 3.47Å
432	Q	93.6	Very high	93.4	Very high	55 Å²	55	33.1 Å²	33.1	26%	0.257	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	108.8	172.6	-171.5	79.3	28.9	0	0	108.4	L307 N439	L307-Q432 HydrophobicContact CD1-CB 4.39Å; Q432-N439 HydrophobicContact CG-CB 4.48Å; Q432-N439 VanDerWaalsContact NE2-CB 3.3Å
433	V	92.8	Very high	93.8	Very high	12 Å²	12	28.5 Å²	28.5	7%	0.073	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.6	-170.1	-172.3	0	0	0	0	110.5	D431 N439 Y440 V442 P526 Y527	D431-V433 HydrophobicContact CB-CG2 4.09Å; V433-N439 CarbonylContact O-C 3.48Å; V433-N439 WeakPolarHBondContact O-CA 3.26Å; V433-Y440 PolarHBondContact N-O 3.1Å; V433-Y440 PolarHBondContact O-N 3.26Å; V433-V442 HydrophobicContact CB-CG2 4.19Å; V433-V442 HydrophobicContact CG2-CB 4.31Å; V433-V442 HydrophobicContact CG2-CG2 3.65Å; V433-P526 HydrophobicContact CB-CB 4.02Å; V433-P526 HydrophobicContact CG1-CB 3.76Å; V433-Y527 HydrophobicContact CB-CE1 4.47Å; V433-Y527 HydrophobicContact CG1-CD1 3.92Å; V433-Y527 HydrophobicContact CG1-CD2 4.43Å; V433-Y527 HydrophobicContact CG1-CE1 3.98Å; V433-Y527 HydrophobicContact CG1-CG 4.18Å; V433-Y527 HydrophobicContact CG2-CD1 4.32Å; V433-Y527 HydrophobicContact CG2-CD2 4.33Å; V433-Y527 HydrophobicContact CG2-CE1 3.6Å; V433-Y527 HydrophobicContact CG2-CE2 3.66Å; V433-Y527 VanDerWaalsContact CG2-OH 3.3Å; V433-Y527 WeakPolarHBondContact CG2-OH 3.27Å
434	M	90.6	Very high	94.1	Very high	102 Å²	102	27.7 Å²	27.7	50%	0.502	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127	171.7	-174.9	179.3	-69.1	0	0	110.3	N439 F538 P540	M434-N439 WeakPolarHBondContact CA-OD1 3.34Å; M434-F538 WeakPolarHBondContact O-CD1 3.27Å; M434-F538 WeakPolarHBondContact O-CE1 3.32Å; M434-P540 HydrophobicContact SD-CB 4.23Å; M434-P540 HydrophobicContact SD-CG 3.68Å
435	A	91	Very high	94.3	Very high	8 Å²	8	25.1 Å²	25.1	7%	0.066	15%	0.147	C	C	.	.			trans	-118.1	178.8	172.7	0	0	0	0	0	110.7	D437 G438 Y440 P526 I551	A435-D437 PolarHBondContact O-N 3.34Å; A435-G438 WeakPolarHBondContact CA-O 3.49Å; A435-G438 WeakPolarHBondContact CB-O 3.43Å; A435-G438 PolarHBondContact N-O 2.81Å; A435-Y440 HydrophobicContact CB-CD2 3.74Å; A435-Y440 HydrophobicContact CB-CE2 3.8Å; A435-P526 HydrophobicContact CB-CB 4.29Å; A435-I551 HydrophobicContact CB-CG1 3.98Å
436	A	88.5	Confident	94.4	Very high	67 Å²	67	25 Å²	25	55%	0.554	15%	0.147	S	C	*	.	S	Bend	trans	-63.7	-27.1	-178.4	0	0	0	0	0	114.1	F538 Q549	A436-F538 HydrophobicContact CB-CE2 4.16Å; A436-F538 HydrophobicContact CB-CZ 4.34Å; A436-Q549 HydrophobicContact CB-CB 4.1Å
437	D	87.5	Confident	94.4	Very high	73 Å²	73	23.7 Å²	23.7	39%	0.39	14%	0.139	S	C	.	.	S	Bend	trans	-111.7	-1.8	-173.7	56.2	-19.9	0	0	0	114	A435 Y440 M552	A435-D437 PolarHBondContact O-N 3.34Å; D437-Y440 VanDerWaalsContact CG-OH 3.23Å; D437-Y440 VanDerWaalsContact OD1-CE2 3.25Å; D437-Y440 WeakPolarHBondContact OD1-CE2 3.39Å; D437-Y440 PolarHBondContact OD1-OH 2.66Å; D437-Y440 PolarHBondContact OD2-OH 3.3Å; D437-M552 WeakPolarHBondContact OD2-CG 3.29Å; D437-M552 PolarHBondContact OD2-N 3.02Å
438	G	88.2	Confident	94.3	Very high	31 Å²	31	26 Å²	26	32%	0.32	15%	0.151	S	C	.	.	S	Bend	trans	152.4	-172.2	177.7	0	0	0	0	0	112.9	A435	A435-G438 WeakPolarHBondContact CA-O 3.49Å; A435-G438 WeakPolarHBondContact CB-O 3.43Å; A435-G438 PolarHBondContact N-O 2.81Å
439	N	89.3	Confident	94.1	Very high	67 Å²	67	30.3 Å²	30.3	36%	0.358	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	138.8	174.9	-62.2	-13.3	0	0	0	110.1	D310 Q432 V433 M434	D310-N439 PolarHBondContact OD2-ND2 3.04Å; Q432-N439 HydrophobicContact CG-CB 4.48Å; Q432-N439 VanDerWaalsContact NE2-CB 3.3Å; V433-N439 CarbonylContact O-C 3.48Å; V433-N439 WeakPolarHBondContact O-CA 3.26Å; M434-N439 WeakPolarHBondContact CA-OD1 3.34Å
440	Y	91.6	Very high	94.1	Very high	9 Å²	9	30.3 Å²	30.3	4%	0.035	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.8	179.9	-70.9	-92.7	0	0	0	110.6	V433 A435 D437 L458 P526 I551 M552	V433-Y440 PolarHBondContact N-O 3.1Å; V433-Y440 PolarHBondContact O-N 3.26Å; A435-Y440 HydrophobicContact CB-CD2 3.74Å; A435-Y440 HydrophobicContact CB-CE2 3.8Å; D437-Y440 VanDerWaalsContact CG-OH 3.23Å; D437-Y440 VanDerWaalsContact OD1-CE2 3.25Å; D437-Y440 WeakPolarHBondContact OD1-CE2 3.39Å; D437-Y440 PolarHBondContact OD1-OH 2.66Å; D437-Y440 PolarHBondContact OD2-OH 3.3Å; Y440-L458 HydrophobicContact CE1-CD2 4.4Å; Y440-P526 HydrophobicContact CD2-CB 4.48Å; Y440-P526 HydrophobicContact CD2-CG 4.29Å; Y440-P526 HydrophobicContact CG-CG 4.01Å; Y440-I551 HydrophobicContact CD1-CG2 3.91Å; Y440-I551 HydrophobicContact CD2-CG2 4.31Å; Y440-I551 HydrophobicContact CE1-CB 4.16Å; Y440-I551 HydrophobicContact CE1-CG2 3.47Å; Y440-I551 VanDerWaalsContact CE1-CG2 3.47Å; Y440-I551 HydrophobicContact CE2-CB 3.9Å; Y440-I551 HydrophobicContact CE2-CG1 4.09Å; Y440-I551 HydrophobicContact CE2-CG2 3.92Å; Y440-I551 HydrophobicContact CG-CG2 4.3Å; Y440-I551 VanDerWaalsContact CZ-CG2 3.47Å; Y440-M552 HydrophobicContact CE1-SD 4.1Å; Y440-M552 WeakPolarHBondContact OH-CG 3.09Å; Y440-M552 PolarHBondContact OH-SD 3.48Å
441	Q	93.4	Very high	94.1	Very high	51 Å²	51	30.6 Å²	30.6	24%	0.238	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	116.1	167.2	-70	171.8	-6.7	0	0	108.2	L307 L316 V430 L443	L307-Q441 HydrophobicContact CD2-CG 4.21Å; L316-Q441 VanDerWaalsContact CD1-NE2 3.25Å; V430-Q441 HydrophobicContact CG1-CB 4.23Å; Q441-L443 HydrophobicContact CB-CD1 4.31Å
442	V	96.6	Very high	94.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.6	175.7	-173.1	0	0	0	0	108.6	V430 D431 V433 F444 K454 I456 P526 Y527	V430-V442 WeakPolarHBondContact CA-O 3.33Å; D431-V442 PolarHBondContact N-O 3.47Å; D431-V442 PolarHBondContact O-N 2.89Å; V433-V442 HydrophobicContact CB-CG2 4.19Å; V433-V442 HydrophobicContact CG2-CB 4.31Å; V433-V442 HydrophobicContact CG2-CG2 3.65Å; V442-F444 HydrophobicContact CB-CE2 4.45Å; V442-F444 HydrophobicContact CG1-CE2 4.02Å; V442-F444 HydrophobicContact CG1-CZ 4.09Å; V442-K454 HydrophobicContact CG1-CD 4.37Å; V442-K454 HydrophobicContact CG1-CG 3.76Å; V442-I456 HydrophobicContact CB-CG2 4.28Å; V442-I456 HydrophobicContact CG1-CG2 4.12Å; V442-I456 HydrophobicContact CG2-CG2 3.83Å; V442-P526 HydrophobicContact CG2-CB 4.33Å; V442-P526 HydrophobicContact CG2-CG 3.94Å; V442-Y527 HydrophobicContact CB-CE2 4.21Å; V442-Y527 HydrophobicContact CG1-CE2 4.11Å; V442-Y527 HydrophobicContact CG2-CE2 4Å
443	L	98.1	Very high	94.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.9	-179.5	-70.4	70.6	0	0	0	109.3	V333 V416 V430 Q441 L445 K454 V455	V333-L443 HydrophobicContact CB-CD2 4.5Å; V333-L443 HydrophobicContact CG1-CD2 3.89Å; V416-L443 HydrophobicContact CG2-CD2 4.27Å; V430-L443 HydrophobicContact CG1-CD1 4.47Å; V430-L443 HydrophobicContact CG2-CG 4.28Å; Q441-L443 HydrophobicContact CB-CD1 4.31Å; L443-L445 HydrophobicContact CB-CD2 4.31Å; L443-L445 HydrophobicContact CB-CG 4.33Å; L443-K454 CarbonylContact O-C 3.58Å; L443-K454 WeakPolarHBondContact O-CA 3.42Å; L443-V455 HydrophobicContact CB-CB 4.36Å; L443-V455 PolarHBondContact N-O 2.68Å; L443-V455 PolarHBondContact O-N 3.49Å
444	F	98.6	Very high	94.6	Very high	4 Å²	4	27 Å²	27	2%	0.018	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	112.1	167.9	-61.9	-89.9	0	0	0	107.9	V428 A429 D431 V442 I452 Q453 K454 I487 L494 L507 Y527	V428-F444 WeakPolarHBondContact CA-O 3.46Å; A429-F444 HydrophobicContact CB-CB 4.46Å; A429-F444 PolarHBondContact N-O 3.35Å; A429-F444 PolarHBondContact O-N 2.86Å; D431-F444 HydrophobicContact CB-CE2 4.39Å; V442-F444 HydrophobicContact CB-CE2 4.45Å; V442-F444 HydrophobicContact CG1-CE2 4.02Å; V442-F444 HydrophobicContact CG1-CZ 4.09Å; F444-I452 HydrophobicContact CB-CG2 4.31Å; F444-I452 HydrophobicContact CD1-CG2 4.38Å; F444-Q453 WeakPolarHBondContact CA-O 3.18Å; F444-K454 HydrophobicContact CD1-CB 4.43Å; F444-K454 HydrophobicContact CD1-CG 4.37Å; F444-K454 HydrophobicContact CE1-CB 4.37Å; F444-K454 HydrophobicContact CE1-CD 4.01Å; F444-K454 HydrophobicContact CE1-CG 3.94Å; F444-K454 HydrophobicContact CZ-CD 4.42Å; F444-K454 HydrophobicContact CZ-CG 4.41Å; F444-I487 HydrophobicContact CD2-CD1 4.01Å; F444-I487 HydrophobicContact CE2-CD1 3.87Å; F444-L494 HydrophobicContact CB-CD1 4.27Å; F444-L494 HydrophobicContact CB-CD2 4.06Å; F444-L494 HydrophobicContact CD1-CD2 3.97Å; F444-L494 HydrophobicContact CG-CD1 4.41Å; F444-L494 HydrophobicContact CG-CD2 4.17Å; F444-L507 HydrophobicContact CE1-CD2 4.1Å; F444-L507 HydrophobicContact CE2-CD2 3.92Å; F444-L507 HydrophobicContact CZ-CB 4.17Å; F444-L507 HydrophobicContact CZ-CD2 3.62Å; F444-L507 HydrophobicContact CZ-CG 4.4Å; F444-Y527 HydrophobicContact CZ-CE2 4.22Å
445	L	98.5	Very high	94.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.5	-173.8	-57.5	178.3	0	0	0	110.2	V333 V416 Y425 A427 V428 L443 I452 Q453 V455	V333-L445 HydrophobicContact CG2-CD1 3.98Å; V333-L445 HydrophobicContact CG2-CD2 3.79Å; V416-L445 HydrophobicContact CG1-CD1 4.41Å; Y425-L445 HydrophobicContact CD1-CB 3.72Å; Y425-L445 HydrophobicContact CD1-CD1 4.29Å; Y425-L445 HydrophobicContact CD2-CD1 4.2Å; Y425-L445 HydrophobicContact CE1-CB 3.72Å; Y425-L445 HydrophobicContact CE1-CD1 3.87Å; Y425-L445 HydrophobicContact CE1-CG 4.45Å; Y425-L445 HydrophobicContact CE2-CD1 3.77Å; Y425-L445 HydrophobicContact CG-CB 4.36Å; Y425-L445 HydrophobicContact CG-CD1 4.46Å; A427-L445 WeakPolarHBondContact O-CA 3.28Å; V428-L445 HydrophobicContact CB-CD2 3.98Å; V428-L445 HydrophobicContact CG2-CD2 3.77Å; L443-L445 HydrophobicContact CB-CD2 4.31Å; L443-L445 HydrophobicContact CB-CG 4.33Å; L445-I452 CarbonylContact O-C 3.51Å; L445-I452 WeakPolarHBondContact O-CA 3.49Å; L445-Q453 HydrophobicContact CB-CB 4.49Å; L445-Q453 PolarHBondContact N-O 3.1Å; L445-Q453 PolarHBondContact O-N 3.11Å; L445-V455 HydrophobicContact CD1-CB 4.47Å; L445-V455 HydrophobicContact CD1-CG2 3.97Å
446	G	98.3	Very high	95	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	147.3	174.4	0	0	0	0	0	112	Y425 T426 A427	Y425-G446 CarbonylContact C-O 3.55Å; Y425-G446 VanDerWaalsContact CA-O 3.29Å; Y425-G446 WeakPolarHBondContact CA-O 3.48Å; T426-G446 PolarHBondContact N-O 2.82Å; T426-G446 PolarHBondContact OG1-O 2.85Å; A427-G446 PolarHBondContact O-N 3.1Å
447	T	97.4	Very high	95	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	160.1	179.6	72.5	0	0	0	0	113.3	Y423 R424 Y425 K449 G450 T451 V482	Y423-T447 HydrophobicContact CD2-CG2 3.84Å; Y423-T447 HydrophobicContact CE2-CG2 4.41Å; Y423-T447 HydrophobicContact CG-CG2 4.29Å; R424-T447 CarbonylContact O-C 3.09Å; R424-T447 VanDerWaalsContact O-CA 3.25Å; R424-T447 WeakPolarHBondContact O-CA 3.45Å; Y425-T447 HydrophobicContact CD1-CG2 4.09Å; Y425-T447 HydrophobicContact CE1-CG2 4.23Å; T447-K449 PolarHBondContact O-N 2.93Å; T447-K449 VanDerWaalsContact O-N 3.17Å; T447-K449 PolarHBondContact OG1-N 3.24Å; T447-G450 PolarHBondContact O-N 3.06Å; T447-T451 WeakPolarHBondContact CG2-OG1 3.38Å; T447-T451 PolarHBondContact N-O 2.84Å; T447-T451 PolarHBondContact OG1-N 3.47Å; T447-T451 PolarHBondContact OG1-O 3.31Å; T447-T451 PolarHBondContact OG1-OG1 3.3Å; T447-V482 PolarHBondContact O-N 2.68Å
448	D	96	Very high	94.8	Very high	49 Å²	49	17.2 Å²	17.2	26%	0.262	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	1.8	168.8	68.6	-14.8	0	0	0	114	Y423 R424 T426	Y423-D448 WeakPolarHBondContact CA-OD1 3.43Å; Y423-D448 WeakPolarHBondContact CB-OD1 3.32Å; R424-D448 VanDerWaalsContact N-CG 3.31Å; R424-D448 PolarHBondContact N-OD1 2.77Å; R424-D448 PolarHBondContact N-OD2 3.21Å; R424-D448 PolarHBondContact O-N 3.17Å; T426-D448 HydrophobicContact CG2-CB 3.96Å
449	K	95.6	Very high	94	Very high	94 Å²	94	19.5 Å²	19.5	41%	0.409	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	6.6	173.5	-64.1	-62.2	-175.3	-180	0	113.5	S422 T447 T451 Q479	S422-K449 WeakPolarHBondContact O-CE 3.33Å; T447-K449 PolarHBondContact O-N 2.93Å; T447-K449 VanDerWaalsContact O-N 3.17Å; T447-K449 PolarHBondContact OG1-N 3.24Å; K449-T451 VanDerWaalsContact C-N 3.32Å; K449-Q479 CarbonylContact C-O 3.49Å; K449-Q479 VanDerWaalsContact C-O 3.32Å; K449-Q479 CarbonylContact O-C 3.49Å; K449-Q479 VanDerWaalsContact O-CA 3.25Å; K449-Q479 WeakPolarHBondContact O-CA 3.34Å; K449-Q479 WeakPolarHBondContact O-CB 3.28Å
450	G	96.7	Very high	92.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	73.3	25.1	-179.5	0	0	0	0	0	113.9	T447 V475 A480	T447-G450 PolarHBondContact O-N 3.06Å; G450-V475 WeakPolarHBondContact O-CG2 3.44Å; G450-V475 PolarHBondContact O-N 3.39Å; G450-V475 VanDerWaalsContact O-N 3.1Å; G450-A480 WeakPolarHBondContact CA-O 3.17Å; G450-A480 PolarHBondContact N-O 3.09Å
451	T	97.4	Very high	90.5	Very high	8 Å²	8	26.6 Å²	26.6	5%	0.049	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	152.9	174.4	68.3	0	0	0	0	111.9	T447 K449 E472 L473 E474	T447-T451 WeakPolarHBondContact CG2-OG1 3.38Å; T447-T451 PolarHBondContact N-O 2.84Å; T447-T451 PolarHBondContact OG1-N 3.47Å; T447-T451 PolarHBondContact OG1-O 3.31Å; T447-T451 PolarHBondContact OG1-OG1 3.3Å; K449-T451 VanDerWaalsContact C-N 3.32Å; T451-E472 WeakPolarHBondContact CB-OE1 3.43Å; T451-E472 HydrophobicContact CG2-CG 4.39Å; T451-E472 PolarHBondContact OG1-OE1 3.36Å; T451-L473 CarbonylContact C-O 3.59Å; T451-L473 WeakPolarHBondContact CA-O 3.43Å; T451-E474 HydrophobicContact CG2-CB 4.29Å
452	I	98.3	Very high	88.2	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.3	169.2	-57.2	-55.1	0	0	0	109.1	F444 L445 E472 L473 V475 V482 L485 L494 V496	F444-I452 HydrophobicContact CB-CG2 4.31Å; F444-I452 HydrophobicContact CD1-CG2 4.38Å; L445-I452 CarbonylContact O-C 3.51Å; L445-I452 WeakPolarHBondContact O-CA 3.49Å; I452-E472 CarbonylContact O-C 3.48Å; I452-E472 WeakPolarHBondContact O-CA 3.46Å; I452-L473 HydrophobicContact CB-CB 4.44Å; I452-L473 PolarHBondContact N-O 2.83Å; I452-L473 PolarHBondContact O-N 3.47Å; I452-V475 HydrophobicContact CD1-CG2 4.41Å; I452-V475 HydrophobicContact CG1-CG1 3.92Å; I452-V475 HydrophobicContact CG1-CG2 3.88Å; I452-V482 HydrophobicContact CD1-CG1 4.22Å; I452-V482 HydrophobicContact CD1-CG2 3.83Å; I452-L485 HydrophobicContact CD1-CD1 4.29Å; I452-L485 HydrophobicContact CD1-CD2 3.69Å; I452-L494 HydrophobicContact CG1-CD2 4.48Å; I452-L494 HydrophobicContact CG2-CD2 3.9Å; I452-V496 HydrophobicContact CD1-CG1 3.88Å; I452-V496 HydrophobicContact CD1-CG2 4.11Å; I452-V496 HydrophobicContact CG1-CG1 4.43Å; I452-V496 HydrophobicContact CG1-CG2 4.01Å
453	Q	97.7	Very high	85.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	129.2	171.3	-70	-175.9	-8.1	0	0	110.9	Y423 Y425 F444 L445 V455 V469 E471 E472	Y423-Q453 VanDerWaalsContact CZ-NE2 3.31Å; Y423-Q453 PolarHBondContact OH-NE2 2.95Å; Y423-Q453 VanDerWaalsContact OH-NE2 3.11Å; Y425-Q453 VanDerWaalsContact CE1-OE1 3.31Å; Y425-Q453 PolarHBondContact OH-OE1 3.15Å; F444-Q453 WeakPolarHBondContact CA-O 3.18Å; L445-Q453 HydrophobicContact CB-CB 4.49Å; L445-Q453 PolarHBondContact N-O 3.1Å; L445-Q453 PolarHBondContact O-N 3.11Å; Q453-V455 HydrophobicContact CB-CG2 4.15Å; Q453-V469 HydrophobicContact CB-CG1 4.3Å; Q453-V469 HydrophobicContact CG-CG1 4.34Å; Q453-E471 CarbonylContact C-O 3.56Å; Q453-E471 WeakPolarHBondContact CA-O 3.4Å; Q453-E472 HydrophobicContact CG-CB 4.15Å; Q453-E472 HydrophobicContact CG-CG 3.9Å; Q453-E472 PolarHBondContact NE2-OE2 2.84Å
454	K	97.8	Very high	83.2	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.009	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	114.1	172.1	-175.7	178.8	178.1	179.1	0	108.9	V442 L443 F444 L470 E471 L507 D525 Y527	V442-K454 HydrophobicContact CG1-CD 4.37Å; V442-K454 HydrophobicContact CG1-CG 3.76Å; L443-K454 CarbonylContact O-C 3.58Å; L443-K454 WeakPolarHBondContact O-CA 3.42Å; F444-K454 HydrophobicContact CD1-CB 4.43Å; F444-K454 HydrophobicContact CD1-CG 4.37Å; F444-K454 HydrophobicContact CE1-CB 4.37Å; F444-K454 HydrophobicContact CE1-CD 4.01Å; F444-K454 HydrophobicContact CE1-CG 3.94Å; F444-K454 HydrophobicContact CZ-CD 4.42Å; F444-K454 HydrophobicContact CZ-CG 4.41Å; K454-L470 HydrophobicContact CD-CD1 4.48Å; K454-L470 HydrophobicContact CG-CB 4.45Å; K454-L470 HydrophobicContact CG-CD1 4.42Å; K454-L470 PolarHBondContact O-N 2.91Å; K454-E471 HydrophobicContact CB-CB 4.09Å; K454-E471 HydrophobicContact CD-CG 4.4Å; K454-E471 PolarHBondContact N-O 2.83Å; K454-E471 IonicContact NZ-OE1 3.44Å; K454-L507 PolarHBondContact NZ-O 2.6Å; K454-D525 IonicContact NZ-OD1 2.69Å; K454-D525 PolarHBondContact NZ-OD1 2.56Å; K454-D525 IonicContact NZ-OD2 3.6Å; K454-D525 PolarHBondContact NZ-OD2 3.1Å; K454-Y527 VanDerWaalsContact NZ-CD2 3.31Å
455	V	96.6	Very high	81.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.4	-171.3	-173.8	0	0	0	0	110.4	V416 L443 L445 Q453 D467 L468 V469	V416-V455 HydrophobicContact CG2-CG1 4.04Å; L443-V455 HydrophobicContact CB-CB 4.36Å; L443-V455 PolarHBondContact N-O 2.68Å; L443-V455 PolarHBondContact O-N 3.49Å; L445-V455 HydrophobicContact CD1-CB 4.47Å; L445-V455 HydrophobicContact CD1-CG2 3.97Å; Q453-V455 HydrophobicContact CB-CG2 4.15Å; V455-D467 HydrophobicContact CG1-CB 4.11Å; V455-L468 VanDerWaalsContact CA-O 3.26Å; V455-L468 WeakPolarHBondContact CA-O 3.3Å; V455-V469 HydrophobicContact CG2-CG1 4.48Å; V455-V469 HydrophobicContact CG2-CG2 4.12Å
456	I	94.1	Very high	79.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.3	167.7	61.5	171.1	0	0	0	110	V442 L458 D467 L468 L470 R524 P526 I551	V442-I456 HydrophobicContact CB-CG2 4.28Å; V442-I456 HydrophobicContact CG1-CG2 4.12Å; V442-I456 HydrophobicContact CG2-CG2 3.83Å; I456-L458 HydrophobicContact CD1-CD2 4.14Å; I456-D467 WeakPolarHBondContact O-CA 3.38Å; I456-L468 HydrophobicContact CD1-CD1 4.2Å; I456-L468 HydrophobicContact CG1-CB 3.91Å; I456-L468 HydrophobicContact CG1-CD1 4.31Å; I456-L468 PolarHBondContact N-O 2.86Å; I456-L468 PolarHBondContact O-N 2.83Å; I456-L470 HydrophobicContact CD1-CD1 4.34Å; I456-L470 HydrophobicContact CD1-CD2 4.2Å; I456-L470 HydrophobicContact CG1-CD1 4.29Å; I456-L470 HydrophobicContact CG1-CD2 4.17Å; I456-L470 HydrophobicContact CG1-CG 4.34Å; I456-L470 HydrophobicContact CG2-CD1 3.87Å; I456-R524 WeakPolarHBondContact CD1-O 3.13Å; I456-P526 HydrophobicContact CG2-CG 4.2Å; I456-I551 HydrophobicContact CD1-CG2 3.79Å
457	V	88.6	Confident	79.4	Confident	24 Å²	24	52.7 Å²	52.7	15%	0.145	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.8	173.9	-179.9	0	0	0	0	107.5	L415 V416 H465 D467	L415-V457 HydrophobicContact CB-CG2 3.95Å; L415-V457 HydrophobicContact CD2-CG1 4.43Å; V416-V457 HydrophobicContact CG2-CG2 4.23Å; V457-H465 HydrophobicContact CG1-CB 4.03Å; V457-D467 HydrophobicContact CG2-CB 4.44Å
458	L	83.1	Confident	79.1	Confident	21 Å²	21	54.4 Å²	54.4	11%	0.11	29%	0.293	C	S	.	.			trans	-78	133.3	-179.1	-61.9	172.3	0	0	0	110.7	Y440 I456 S460 H465 G466 L468 I551 M552	Y440-L458 HydrophobicContact CE1-CD2 4.4Å; I456-L458 HydrophobicContact CD1-CD2 4.14Å; L458-S460 PolarHBondContact O-N 3.49Å; L458-H465 PolarHBondContact O-ND1 3.18Å; L458-G466 PolarHBondContact N-O 2.91Å; L458-L468 HydrophobicContact CD1-CD1 3.83Å; L458-L468 HydrophobicContact CD1-CG 4.22Å; L458-L468 HydrophobicContact CD2-CD1 4.22Å; L458-L468 HydrophobicContact CG-CD1 4.12Å; L458-L468 HydrophobicContact CG-CG 4.47Å; L458-I551 HydrophobicContact CD2-CG2 4.48Å; L458-M552 HydrophobicContact CD2-SD 4.26Å
459	P	70.6	Confident	79	Confident	80 Å²	80	52.1 Å²	52.1	52%	0.519	28%	0.281	S	S	.	.			trans	-57.9	123.3	167.6	-18.4	29.7	0	0	0	109.4	M552	P459-M552 HydrophobicContact CG-SD 4.45Å; P459-M552 VanDerWaalsContact O-CE 3.28Å; P459-M552 WeakPolarHBondContact O-CE 3.05Å
460	S	57.8	Low	79	Confident	46 Å²	46	47.9 Å²	47.9	32%	0.322	26%	0.262	S	S	.	.			trans	-133.9	130.8	-179.4	-163.1	0	0	0	0	110.4	L458 R462 L464 H465	L458-S460 PolarHBondContact O-N 3.49Å; S460-R462 PolarHBondContact O-N 2.91Å; S460-R462 PolarHBondContact OG-N 3.46Å; S460-R462 PolarHBondContact OG-O 3.32Å; S460-L464 PolarHBondContact OG-O 2.86Å; S460-H465 PolarHBondContact N-CE1 3.06Å; S460-H465 PolarHBondContact N-ND1 3.22Å
461	N	50.5	Low	78.9	Confident	179 Å²	179	47.9 Å²	47.9	96%	0.957	26%	0.263	S	S	*	.	S	Bend	trans	-79.2	-1.5	169.7	-86.4	-15.4	0	0	0	112.5
462	R	44	Very low	78.8	Confident	210 Å²	210	48.7 Å²	48.7	79%	0.792	27%	0.266	S	S	*	.	S	Bend	trans	-119.7	152.8	178.1	-70.5	-173.8	178.2	-167.9	-1.1	110.3	S460 L464	S460-R462 PolarHBondContact O-N 2.91Å; S460-R462 PolarHBondContact OG-N 3.46Å; S460-R462 PolarHBondContact OG-O 3.32Å; R462-L464 CarbonylContact O-C 3.59Å; R462-L464 PolarHBondContact O-N 3.17Å
463	S	44.8	Very low	78.8	Confident	106 Å²	106	48.9 Å²	48.9	74%	0.741	27%	0.267	S	S	*	.	S	Bend	trans	-52.2	-14.1	-165.2	-27.4	0	0	0	0	116.6	R413	R413-S463 PolarHBondContact NH1-O 3.42Å
464	L	45.9	Very low	78.7	Confident	153 Å²	153	50.1 Å²	50.1	80%	0.801	27%	0.273	S	S	*	.			trans	-109.1	101.1	173.6	-69.7	155.8	0	0	0	108.9	S460 R462 G466	S460-L464 PolarHBondContact OG-O 2.86Å; R462-L464 CarbonylContact O-C 3.59Å; R462-L464 PolarHBondContact O-N 3.17Å; L464-G466 PolarHBondContact O-N 2.78Å
465	H	54.8	Low	78.7	Confident	66 Å²	66	50 Å²	50	31%	0.306	27%	0.272	S	S	.	.			trans	-67.6	114	153.5	-70.5	-70.2	0	0	0	106	R413 V457 L458 S460 D467	R413-H465 VanDerWaalsContact CZ-CD2 3.44Å; R413-H465 PolarHBondContact NH2-CD2 3.19Å; R413-H465 PolarHBondContact NH2-NE2 3.39Å; V457-H465 HydrophobicContact CG1-CB 4.03Å; L458-H465 PolarHBondContact O-ND1 3.18Å; S460-H465 PolarHBondContact N-CE1 3.06Å; S460-H465 PolarHBondContact N-ND1 3.22Å; H465-D467 PolarHBondContact O-N 3.34Å
466	G	73.2	Confident	78.6	Confident	35 Å²	35	50.2 Å²	50.2	36%	0.361	27%	0.273	S	S	.	.			trans	-79.9	114	168.3	0	0	0	0	0	108.2	L458 L464	L458-G466 PolarHBondContact N-O 2.91Å; L464-G466 PolarHBondContact O-N 2.78Å
467	D	87.3	Confident	78.5	Confident	32 Å²	32	57.8 Å²	57.8	17%	0.171	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	144.6	163.9	65.8	-54.8	0	0	0	109.6	V416 R418 V455 I456 V457 H465	V416-D467 HydrophobicContact CG2-CB 4.25Å; R418-D467 IonicContact CZ-OD2 2.67Å; R418-D467 IonicContact NH1-OD1 3.22Å; R418-D467 IonicContact NH1-OD2 3.46Å; R418-D467 PolarHBondContact NH1-OD2 2.67Å; R418-D467 IonicContact NH2-OD2 3.25Å; R418-D467 PolarHBondContact NH2-OD2 2.84Å; V455-D467 HydrophobicContact CG1-CB 4.11Å; I456-D467 WeakPolarHBondContact O-CA 3.38Å; V457-D467 HydrophobicContact CG2-CB 4.44Å; H465-D467 PolarHBondContact O-N 3.34Å
468	L	90.9	Very high	78.6	Confident	37 Å²	37	61 Å²	61	19%	0.194	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.4	-179.8	-62.9	177.5	0	0	0	110	V455 I456 L458 L470	V455-L468 VanDerWaalsContact CA-O 3.26Å; V455-L468 WeakPolarHBondContact CA-O 3.3Å; I456-L468 HydrophobicContact CD1-CD1 4.2Å; I456-L468 HydrophobicContact CG1-CB 3.91Å; I456-L468 HydrophobicContact CG1-CD1 4.31Å; I456-L468 PolarHBondContact N-O 2.86Å; I456-L468 PolarHBondContact O-N 2.83Å; L458-L468 HydrophobicContact CD1-CD1 3.83Å; L458-L468 HydrophobicContact CD1-CG 4.22Å; L458-L468 HydrophobicContact CD2-CD1 4.22Å; L458-L468 HydrophobicContact CG-CD1 4.12Å; L458-L468 HydrophobicContact CG-CG 4.47Å; L468-L470 HydrophobicContact CB-CD2 4.17Å; L468-L470 PolarHBondContact O-N 3.17Å
469	V	93.9	Very high	79.1	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.006	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	106.9	170.9	-171.1	0	0	0	0	108.4	P21 P23 R24 R418 Q453 V455 Q594	P21-V469 HydrophobicContact CB-CG2 3.87Å; P23-V469 HydrophobicContact CB-CG1 3.72Å; R24-V469 PolarHBondContact N-O 2.8Å; R24-V469 VanDerWaalsContact N-O 3.14Å; R418-V469 VanDerWaalsContact NH2-CG2 3.26Å; Q453-V469 HydrophobicContact CB-CG1 4.3Å; Q453-V469 HydrophobicContact CG-CG1 4.34Å; V455-V469 HydrophobicContact CG2-CG1 4.48Å; V455-V469 HydrophobicContact CG2-CG2 4.12Å; V469-Q594 PolarHBondContact O-NE2 2.86Å
470	L	94.8	Very high	80.3	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-46.2	-176.8	-55	-175.9	0	0	0	111.1	R24 I25 K454 I456 L468 A523 D525	R24-L470 VanDerWaalsContact CB-O 3.29Å; R24-L470 WeakPolarHBondContact CB-O 3.4Å; R24-L470 PolarHBondContact N-O 3.19Å; I25-L470 PolarHBondContact N-O 3.34Å; K454-L470 HydrophobicContact CD-CD1 4.48Å; K454-L470 HydrophobicContact CG-CB 4.45Å; K454-L470 HydrophobicContact CG-CD1 4.42Å; K454-L470 PolarHBondContact O-N 2.91Å; I456-L470 HydrophobicContact CD1-CD1 4.34Å; I456-L470 HydrophobicContact CD1-CD2 4.2Å; I456-L470 HydrophobicContact CG1-CD1 4.29Å; I456-L470 HydrophobicContact CG1-CD2 4.17Å; I456-L470 HydrophobicContact CG1-CG 4.34Å; I456-L470 HydrophobicContact CG2-CD1 3.87Å; L468-L470 HydrophobicContact CB-CD2 4.17Å; L468-L470 PolarHBondContact O-N 3.17Å; L470-A523 WeakPolarHBondContact CD2-O 3.21Å; L470-D525 HydrophobicContact CD1-CB 4.1Å
471	E	94.9	Very high	82.2	Confident	1 Å²	1	62 Å²	62	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	146.8	-175.1	-55.1	179.3	-135.6	0	0	110.1	I25 Q453 K454 L473 R509 Y513	I25-E471 CarbonylContact O-C 3.57Å; I25-E471 WeakPolarHBondContact O-CA 3.27Å; Q453-E471 CarbonylContact C-O 3.56Å; Q453-E471 WeakPolarHBondContact CA-O 3.4Å; K454-E471 HydrophobicContact CB-CB 4.09Å; K454-E471 HydrophobicContact CD-CG 4.4Å; K454-E471 PolarHBondContact N-O 2.83Å; K454-E471 IonicContact NZ-OE1 3.44Å; E471-L473 HydrophobicContact CB-CD2 4.23Å; E471-R509 IonicContact OE1-NH2 3.59Å; E471-R509 PolarHBondContact OE1-NH2 3.06Å; E471-R509 IonicContact OE2-CZ 3.86Å; E471-R509 IonicContact OE2-NE 3.17Å; E471-R509 PolarHBondContact OE2-NE 2.79Å; E471-R509 IonicContact OE2-NH2 3.95Å; E471-R509 PolarHBondContact OE2-NH2 3.05Å; E471-Y513 HydrophobicContact CG-CE1 4.31Å; E471-Y513 VanDerWaalsContact CG-OH 3.3Å; E471-Y513 WeakPolarHBondContact CG-OH 3.44Å; E471-Y513 PolarHBondContact OE1-OH 3.13Å
472	E	96.2	Very high	84.4	Confident	25 Å²	25	53.5 Å²	53.5	12%	0.117	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.3	164.8	-177.6	163.9	176.8	0	0	110.1	P23 I25 F26 L27 T451 I452 Q453	P23-E472 HydrophobicContact CB-CB 3.69Å; P23-E472 HydrophobicContact CG-CB 3.75Å; I25-E472 PolarHBondContact O-N 3.41Å; F26-E472 CarbonylContact C-O 3.3Å; F26-E472 WeakPolarHBondContact CA-O 3.42Å; F26-E472 HydrophobicContact CD2-CB 4.03Å; F26-E472 HydrophobicContact CD2-CG 3.95Å; F26-E472 HydrophobicContact CE2-CG 4.18Å; L27-E472 PolarHBondContact N-O 2.87Å; T451-E472 WeakPolarHBondContact CB-OE1 3.43Å; T451-E472 HydrophobicContact CG2-CG 4.39Å; T451-E472 PolarHBondContact OG1-OE1 3.36Å; I452-E472 CarbonylContact O-C 3.48Å; I452-E472 WeakPolarHBondContact O-CA 3.46Å; Q453-E472 HydrophobicContact CG-CB 4.15Å; Q453-E472 HydrophobicContact CG-CG 3.9Å; Q453-E472 PolarHBondContact NE2-OE2 2.84Å
473	L	96.9	Very high	86.9	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118.7	-169.7	-48.7	-179.8	0	0	0	109.8	L27 L32 T451 I452 E471 V475 V505	L27-L473 HydrophobicContact CB-CD2 4.05Å; L27-L473 HydrophobicContact CD1-CD2 3.91Å; L27-L473 HydrophobicContact CG-CD2 4.16Å; L32-L473 HydrophobicContact CD1-CB 4.06Å; L32-L473 HydrophobicContact CD2-CD2 4.26Å; T451-L473 CarbonylContact C-O 3.59Å; T451-L473 WeakPolarHBondContact CA-O 3.43Å; I452-L473 HydrophobicContact CB-CB 4.44Å; I452-L473 PolarHBondContact N-O 2.83Å; I452-L473 PolarHBondContact O-N 3.47Å; E471-L473 HydrophobicContact CB-CD2 4.23Å; L473-V475 HydrophobicContact CB-CG1 4.07Å; L473-V475 PolarHBondContact O-N 2.77Å; L473-V505 HydrophobicContact CD1-CG1 3.74Å
474	E	96.9	Very high	89.3	Confident	27 Å²	27	42.4 Å²	42.4	13%	0.126	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	92.4	173.6	-173.7	-175.9	-151.2	0	0	110.2	F26 L27 F29 L32 T451 Q479	F26-E474 HydrophobicContact CZ-CB 4.28Å; L27-E474 PolarHBondContact O-N 3.06Å; F29-E474 VanDerWaalsContact CA-O 3.23Å; F29-E474 WeakPolarHBondContact CA-O 3.4Å; F29-E474 HydrophobicContact CB-CG 4.46Å; F29-E474 WeakPolarHBondContact CB-O 3.12Å; F29-E474 PolarHBondContact N-O 2.92Å; F29-E474 PolarHBondContact N-OE2 2.75Å; L32-E474 WeakPolarHBondContact CD1-O 3.39Å; T451-E474 HydrophobicContact CG2-CB 4.29Å; E474-Q479 WeakPolarHBondContact OE1-CG 3.38Å; E474-Q479 PolarHBondContact OE1-NE2 2.8Å
475	V	96.8	Very high	91.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.			trans	-87	-6.9	-169.7	-66.4	0	0	0	0	114	L32 F38 G450 I452 L473 V496 S503 V505	L32-V475 HydrophobicContact CD1-CG1 4.29Å; F38-V475 HydrophobicContact CE2-CB 4.14Å; F38-V475 HydrophobicContact CE2-CG1 4.2Å; G450-V475 WeakPolarHBondContact O-CG2 3.44Å; G450-V475 PolarHBondContact O-N 3.39Å; G450-V475 VanDerWaalsContact O-N 3.1Å; I452-V475 HydrophobicContact CD1-CG2 4.41Å; I452-V475 HydrophobicContact CG1-CG1 3.92Å; I452-V475 HydrophobicContact CG1-CG2 3.88Å; L473-V475 HydrophobicContact CB-CG1 4.07Å; L473-V475 PolarHBondContact O-N 2.77Å; V475-V496 HydrophobicContact CG2-CG1 4.06Å; V475-S503 PolarHBondContact O-OG 3.22Å; V475-V505 HydrophobicContact CG1-CG2 3.86Å
476	F	95.2	Very high	93.7	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.018	19%	0.189	C	C	.	.			trans	-132.7	127.2	175.1	-61.5	-66.2	0	0	0	111.6	H40 N478 Q479 V482 V496 S498 S503	H40-F476 AromaticContact CE1-CD1 3.77Å; H40-F476 AromaticContact CE1-CE1 3.84Å; F476-N478 PolarHBondContact O-N 3.03Å; F476-N478 VanDerWaalsContact O-N 3.16Å; F476-Q479 PolarHBondContact O-N 3.5Å; F476-Q479 VanDerWaalsContact O-N 3.09Å; F476-V482 HydrophobicContact CE2-CG2 4.25Å; F476-V496 HydrophobicContact CE2-CG1 3.8Å; F476-V496 HydrophobicContact CZ-CB 4.38Å; F476-V496 HydrophobicContact CZ-CG1 4Å; F476-S498 VanDerWaalsContact CD1-OG 3.29Å; F476-S498 WeakPolarHBondContact CD1-OG 3.33Å; F476-S498 WeakPolarHBondContact CE1-OG 3.26Å; F476-S498 VanDerWaalsContact CE2-CB 3.47Å; F476-S498 VanDerWaalsContact CZ-OG 3.31Å; F476-S498 WeakPolarHBondContact CZ-OG 3.42Å; F476-S503 WeakPolarHBondContact CE1-OG 3.32Å
477	K	91.6	Very high	94.9	Very high	159 Å²	159	35.8 Å²	35.8	69%	0.691	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-33	178.2	-174.5	-177.8	176.6	-171.9	0	113.9	F29 Q479	F29-K477 HydrophobicContact CD1-CB 3.98Å; F29-K477 HydrophobicContact CD1-CG 4.46Å; F29-K477 HydrophobicContact CD2-CB 4.34Å; F29-K477 HydrophobicContact CE1-CB 4.11Å; F29-K477 HydrophobicContact CE2-CB 4.44Å; F29-K477 HydrophobicContact CG-CB 4.1Å; F29-K477 HydrophobicContact CZ-CB 4.34Å; K477-Q479 VanDerWaalsContact C-N 3.31Å
478	N	90.9	Very high	95.3	Very high	92 Å²	92	34.3 Å²	34.3	49%	0.492	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	7	-175.8	-60.9	-8.1	0	0	0	112.9	F476 A480 F500	F476-N478 PolarHBondContact O-N 3.03Å; F476-N478 VanDerWaalsContact O-N 3.16Å; N478-A480 PolarHBondContact O-N 2.94Å; N478-A480 VanDerWaalsContact O-N 3.13Å; N478-F500 HydrophobicContact CB-CD2 4.27Å; N478-F500 HydrophobicContact CB-CE2 4.27Å; N478-F500 WeakPolarHBondContact ND2-CD1 3.14Å
479	Q	93.7	Very high	95.4	Very high	108 Å²	108	34.9 Å²	34.9	51%	0.505	18%	0.175	S	C	.	.			trans	53.5	31.6	-175.1	-61.3	-178.6	-4.7	0	0	113.1	K449 E474 F476 K477	K449-Q479 CarbonylContact C-O 3.49Å; K449-Q479 VanDerWaalsContact C-O 3.32Å; K449-Q479 CarbonylContact O-C 3.49Å; K449-Q479 VanDerWaalsContact O-CA 3.25Å; K449-Q479 WeakPolarHBondContact O-CA 3.34Å; K449-Q479 WeakPolarHBondContact O-CB 3.28Å; E474-Q479 WeakPolarHBondContact OE1-CG 3.38Å; E474-Q479 PolarHBondContact OE1-NE2 2.8Å; F476-Q479 PolarHBondContact O-N 3.5Å; F476-Q479 VanDerWaalsContact O-N 3.09Å; K477-Q479 VanDerWaalsContact C-N 3.31Å
480	A	95.3	Very high	95.3	Very high	3 Å²	3	42 Å²	42	3%	0.025	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-72.2	139.7	-176.7	0	0	0	0	0	110.7	G450 N478 V482 E499 F500	G450-A480 WeakPolarHBondContact CA-O 3.17Å; G450-A480 PolarHBondContact N-O 3.09Å; N478-A480 PolarHBondContact O-N 2.94Å; N478-A480 VanDerWaalsContact O-N 3.13Å; A480-V482 PolarHBondContact O-N 2.81Å; A480-E499 HydrophobicContact CB-CG 4.39Å; A480-F500 HydrophobicContact CB-CD2 3.44Å; A480-F500 VanDerWaalsContact CB-CD2 3.44Å; A480-F500 HydrophobicContact CB-CE2 3.87Å
481	P	96.9	Very high	95.3	Very high	55 Å²	55	44 Å²	44	36%	0.357	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-52.3	136.4	-179.1	-27.8	34.2	0	0	0	113	T483 S498	P481-T483 PolarHBondContact O-N 2.8Å; P481-S498 VanDerWaalsContact O-CB 3.28Å; P481-S498 WeakPolarHBondContact O-CB 3.17Å
482	V	98	Very high	95.2	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-69.3	121.7	169.7	176	0	0	0	0	108.4	T426 A427 T447 I452 F476 A480 L485 V496	T426-V482 VanDerWaalsContact CB-O 3.29Å; T426-V482 WeakPolarHBondContact CB-O 3.37Å; T426-V482 PolarHBondContact OG1-O 3.26Å; A427-V482 HydrophobicContact CB-CG1 4.11Å; T447-V482 PolarHBondContact O-N 2.68Å; I452-V482 HydrophobicContact CD1-CG1 4.22Å; I452-V482 HydrophobicContact CD1-CG2 3.83Å; F476-V482 HydrophobicContact CE2-CG2 4.25Å; A480-V482 PolarHBondContact O-N 2.81Å; V482-L485 HydrophobicContact CG1-CD2 4.1Å; V482-L485 HydrophobicContact CG1-CG 4.03Å; V482-V496 HydrophobicContact CB-CG1 4.34Å; V482-V496 HydrophobicContact CG1-CG1 3.59Å; V482-V496 HydrophobicContact CG2-CG1 3.94Å
483	T	95.3	Very high	95.3	Very high	38 Å²	38	46.2 Å²	46.2	23%	0.233	23%	0.225	C	C	.	.			trans	-98.4	-35.7	-178.2	57.2	0	0	0	0	112.9	Y50 P481 S497	Y50-T483 PolarHBondContact O-OG1 2.8Å; P481-T483 PolarHBondContact O-N 2.8Å; T483-S497 PolarHBondContact N-O 2.89Å; T483-S497 PolarHBondContact OG1-O 2.98Å; T483-S497 VanDerWaalsContact OG1-O 3.11Å; T483-S497 PolarHBondContact OG1-OG 3.14Å
484	N	95.7	Very high	95.3	Very high	44 Å²	44	46.2 Å²	46.2	24%	0.235	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	157.5	174.4	-67.6	-94.7	0	0	0	112	R51 L53 S497	R51-N484 PolarHBondContact O-ND2 3.46Å; L53-N484 HydrophobicContact CD1-CB 3.99Å; L53-N484 HydrophobicContact CG-CB 4.22Å; N484-S497 WeakPolarHBondContact CB-OG 3.34Å; N484-S497 PolarHBondContact N-OG 3.37Å; N484-S497 PolarHBondContact O-N 2.95Å; N484-S497 VanDerWaalsContact O-N 3.1Å
485	L	96.6	Very high	95.4	Very high	11 Å²	11	44.9 Å²	44.9	6%	0.058	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.1	171.2	-70.5	175.4	0	0	0	110.2	A427 A429 I452 V482 L494 Y495 V496	A427-L485 HydrophobicContact CB-CB 4.22Å; A427-L485 HydrophobicContact CB-CD1 3.63Å; A427-L485 HydrophobicContact CB-CG 3.69Å; A429-L485 HydrophobicContact CB-CB 4.13Å; I452-L485 HydrophobicContact CD1-CD1 4.29Å; I452-L485 HydrophobicContact CD1-CD2 3.69Å; V482-L485 HydrophobicContact CG1-CD2 4.1Å; V482-L485 HydrophobicContact CG1-CG 4.03Å; L485-L494 HydrophobicContact CD2-CD1 4.3Å; L485-L494 HydrophobicContact CD2-CD2 4.16Å; L485-L494 HydrophobicContact CD2-CG 4.26Å; L485-Y495 WeakPolarHBondContact CA-O 3.03Å; L485-V496 HydrophobicContact CD2-CB 3.97Å; L485-V496 HydrophobicContact CD2-CG1 3.72Å; L485-V496 HydrophobicContact CD2-CG2 3.57Å
486	R	97.1	Very high	95.5	Very high	88 Å²	88	44.9 Å²	44.9	33%	0.332	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.1	168.5	-67.8	-63.5	-173.7	-167.6	-6	109.1	L53 Y495	L53-R486 HydrophobicContact CB-CG 3.73Å; L53-R486 HydrophobicContact CD1-CG 4.28Å; L53-R486 PolarHBondContact O-NE 2.8Å; L53-R486 VanDerWaalsContact O-NE 3.07Å; R486-Y495 PolarHBondContact N-O 2.9Å; R486-Y495 PolarHBondContact O-N 3.06Å
487	I	97.4	Very high	95.6	Very high	17 Å²	17	44.7 Å²	44.7	9%	0.087	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.8	-178.9	-175.7	164.4	0	0	0	109.4	M55 F305 A429 D431 F444 L494 L507	M55-I487 VanDerWaalsContact CE-O 3.27Å; M55-I487 WeakPolarHBondContact CE-O 3.26Å; F305-I487 HydrophobicContact CE2-CG2 3.68Å; F305-I487 HydrophobicContact CZ-CG2 3.67Å; A429-I487 HydrophobicContact CB-CB 4.04Å; A429-I487 HydrophobicContact CB-CG2 3.94Å; D431-I487 HydrophobicContact CB-CD1 3.75Å; F444-I487 HydrophobicContact CD2-CD1 4.01Å; F444-I487 HydrophobicContact CE2-CD1 3.87Å; I487-L494 HydrophobicContact CB-CD1 4.09Å; I487-L507 HydrophobicContact CD1-CD1 3.94Å; I487-L507 HydrophobicContact CD1-CD2 3.73Å; I487-L507 HydrophobicContact CG1-CD1 4.13Å; I487-L507 HydrophobicContact CG1-CD2 3.97Å
488	S	96.4	Very high	95.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.007	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	101.9	164.6	177	0	0	0	0	108.7	E57 K490 K491 Q492 Q493	E57-S488 VanDerWaalsContact OE1-CB 3.25Å; E57-S488 WeakPolarHBondContact OE1-CB 3.4Å; E57-S488 PolarHBondContact OE1-OG 3.32Å; S488-K490 PolarHBondContact O-N 2.69Å; S488-K491 PolarHBondContact O-N 3.12Å; S488-K491 WeakPolarHBondContact OG-CB 3.32Å; S488-K491 WeakPolarHBondContact OG-CG 3.42Å; S488-K491 PolarHBondContact OG-N 2.89Å; S488-K491 VanDerWaalsContact OG-N 3.1Å; S488-Q492 WeakPolarHBondContact O-CA 3.4Å; S488-Q492 PolarHBondContact O-N 3Å; S488-Q493 PolarHBondContact N-O 3.45Å; S488-Q493 PolarHBondContact O-N 3.11Å; S488-Q493 VanDerWaalsContact O-N 3.17Å
489	S	93.3	Very high	96	Very high	48 Å²	48	36.4 Å²	36.4	34%	0.336	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-29	174	-50.7	0	0	0	0	111	D431 Q492	D431-S489 VanDerWaalsContact CG-OG 3.28Å; D431-S489 WeakPolarHBondContact OD1-CB 3.29Å; D431-S489 PolarHBondContact OD1-OG 2.92Å; S489-Q492 PolarHBondContact O-N 3.32Å; S489-Q492 PolarHBondContact O-NE2 2.85Å
490	K	92.4	Very high	96.1	Very high	150 Å²	150	33.4 Å²	33.4	65%	0.652	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-46.1	174.6	-178.6	-178.5	176.1	-169.2	0	112	S488	S488-K490 PolarHBondContact O-N 2.69Å
491	K	93	Very high	96.2	Very high	46 Å²	46	33.2 Å²	33.2	20%	0.2	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-12.6	179.5	-60.3	-68.8	-172.2	165.8	0	113.2	D60 N76 S488 Q493	D60-K491 WeakPolarHBondContact OD1-CE 3.44Å; D60-K491 IonicContact OD1-NZ 3.19Å; D60-K491 PolarHBondContact OD1-NZ 3.4Å; D60-K491 IonicContact OD2-NZ 3.68Å; D60-K491 PolarHBondContact OD2-NZ 3.5Å; N76-K491 PolarHBondContact OD1-NZ 2.89Å; S488-K491 PolarHBondContact O-N 3.12Å; S488-K491 WeakPolarHBondContact OG-CB 3.32Å; S488-K491 WeakPolarHBondContact OG-CG 3.42Å; S488-K491 PolarHBondContact OG-N 2.89Å; S488-K491 VanDerWaalsContact OG-N 3.1Å; K491-Q493 VanDerWaalsContact C-N 3.32Å; K491-Q493 HydrophobicContact CB-CB 4.46Å; K491-Q493 HydrophobicContact CB-CG 4.11Å; K491-Q493 WeakPolarHBondContact O-CG 3.39Å
492	Q	94.6	Very high	96.2	Very high	34 Å²	34	30.6 Å²	30.6	16%	0.159	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	42.5	-174.3	-63.9	-71.3	-47.3	0	0	112.4	S488 S489 L507 R537	S488-Q492 WeakPolarHBondContact O-CA 3.4Å; S488-Q492 PolarHBondContact O-N 3Å; S489-Q492 PolarHBondContact O-N 3.32Å; S489-Q492 PolarHBondContact O-NE2 2.85Å; Q492-L507 PolarHBondContact O-N 3.21Å; Q492-L507 VanDerWaalsContact O-N 3.07Å; Q492-R537 VanDerWaalsContact OE1-CZ 3.28Å
493	Q	96.7	Very high	96.2	Very high	40 Å²	40	30.5 Å²	30.5	19%	0.187	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148.6	-178.6	-58.3	-61.2	-30.1	0	0	111.7	S488 K491 Y495 Q504 V505	S488-Q493 PolarHBondContact N-O 3.45Å; S488-Q493 PolarHBondContact O-N 3.11Å; S488-Q493 VanDerWaalsContact O-N 3.17Å; K491-Q493 VanDerWaalsContact C-N 3.32Å; K491-Q493 HydrophobicContact CB-CB 4.46Å; K491-Q493 HydrophobicContact CB-CG 4.11Å; K491-Q493 WeakPolarHBondContact O-CG 3.39Å; Q493-Y495 HydrophobicContact CB-CE1 4.4Å; Q493-Y495 HydrophobicContact CB-CE2 4.06Å; Q493-Q504 HydrophobicContact CB-CG 4.47Å; Q493-V505 CarbonylContact C-O 3.48Å; Q493-V505 PolarHBondContact OE1-O 3.04Å
494	L	98.1	Very high	96.3	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.1	168.9	-175.1	74	0	0	0	108.5	A429 F444 I452 L485 I487 V496 Q504 V505 L507	A429-L494 HydrophobicContact CB-CD1 4Å; F444-L494 HydrophobicContact CB-CD1 4.27Å; F444-L494 HydrophobicContact CB-CD2 4.06Å; F444-L494 HydrophobicContact CD1-CD2 3.97Å; F444-L494 HydrophobicContact CG-CD1 4.41Å; F444-L494 HydrophobicContact CG-CD2 4.17Å; I452-L494 HydrophobicContact CG1-CD2 4.48Å; I452-L494 HydrophobicContact CG2-CD2 3.9Å; L485-L494 HydrophobicContact CD2-CD1 4.3Å; L485-L494 HydrophobicContact CD2-CD2 4.16Å; L485-L494 HydrophobicContact CD2-CG 4.26Å; I487-L494 HydrophobicContact CB-CD1 4.09Å; L494-V496 HydrophobicContact CD2-CG2 4.08Å; L494-V496 HydrophobicContact CG-CG2 4.16Å; L494-Q504 CarbonylContact O-C 3.6Å; L494-Q504 WeakPolarHBondContact O-CA 3.37Å; L494-V505 PolarHBondContact N-O 3.46Å; L494-V505 PolarHBondContact O-N 3.27Å; L494-L507 HydrophobicContact CB-CD2 3.86Å
495	Y	98.3	Very high	96.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.2	175.4	-49.9	-86.4	0	0	0	109.1	M55 M62 L75 I78 L485 R486 Q493 S503 Q504	M55-Y495 HydrophobicContact SD-CD2 4.43Å; M55-Y495 HydrophobicContact SD-CE2 4.2Å; M62-Y495 HydrophobicContact CE-CD1 3.81Å; M62-Y495 HydrophobicContact CE-CG 4.17Å; M62-Y495 HydrophobicContact SD-CD1 4.11Å; M62-Y495 HydrophobicContact SD-CG 3.89Å; L75-Y495 WeakPolarHBondContact CB-OH 3.48Å; L75-Y495 HydrophobicContact CD2-CE1 4.18Å; L75-Y495 HydrophobicContact CD2-CE2 3.93Å; L75-Y495 PolarHBondContact O-OH 2.91Å; I78-Y495 HydrophobicContact CG2-CD1 3.92Å; I78-Y495 HydrophobicContact CG2-CE1 3.91Å; L485-Y495 WeakPolarHBondContact CA-O 3.03Å; R486-Y495 PolarHBondContact N-O 2.9Å; R486-Y495 PolarHBondContact O-N 3.06Å; Q493-Y495 HydrophobicContact CB-CE1 4.4Å; Q493-Y495 HydrophobicContact CB-CE2 4.06Å; Y495-S503 CarbonylContact C-O 3.53Å; Y495-S503 WeakPolarHBondContact CA-O 3.41Å; Y495-Q504 HydrophobicContact CD1-CB 4.1Å; Y495-Q504 HydrophobicContact CD1-CG 4.15Å; Y495-Q504 HydrophobicContact CE1-CB 4.26Å; Y495-Q504 HydrophobicContact CE1-CG 3.85Å
496	V	98.4	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.7	-173	-168.5	0	0	0	0	109.1	I452 V475 F476 V482 L485 L494 V502 S503 V505	I452-V496 HydrophobicContact CD1-CG1 3.88Å; I452-V496 HydrophobicContact CD1-CG2 4.11Å; I452-V496 HydrophobicContact CG1-CG1 4.43Å; I452-V496 HydrophobicContact CG1-CG2 4.01Å; V475-V496 HydrophobicContact CG2-CG1 4.06Å; F476-V496 HydrophobicContact CE2-CG1 3.8Å; F476-V496 HydrophobicContact CZ-CB 4.38Å; F476-V496 HydrophobicContact CZ-CG1 4Å; V482-V496 HydrophobicContact CB-CG1 4.34Å; V482-V496 HydrophobicContact CG1-CG1 3.59Å; V482-V496 HydrophobicContact CG2-CG1 3.94Å; L485-V496 HydrophobicContact CD2-CB 3.97Å; L485-V496 HydrophobicContact CD2-CG1 3.72Å; L485-V496 HydrophobicContact CD2-CG2 3.57Å; L494-V496 HydrophobicContact CD2-CG2 4.08Å; L494-V496 HydrophobicContact CG-CG2 4.16Å; V496-V502 CarbonylContact O-C 3.55Å; V496-V502 VanDerWaalsContact O-CA 3.26Å; V496-V502 WeakPolarHBondContact O-CA 3.32Å; V496-S503 PolarHBondContact N-O 3.41Å; V496-S503 PolarHBondContact O-N 2.68Å; V496-V505 HydrophobicContact CG2-CG2 4.37Å
497	S	97.5	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	152.9	174.1	67.5	0	0	0	0	113	Y50 T483 N484	Y50-S497 WeakPolarHBondContact O-CB 3.41Å; Y50-S497 PolarHBondContact O-OG 3.47Å; Y50-S497 VanDerWaalsContact O-OG 3.12Å; T483-S497 PolarHBondContact N-O 2.89Å; T483-S497 PolarHBondContact OG1-O 2.98Å; T483-S497 VanDerWaalsContact OG1-O 3.11Å; T483-S497 PolarHBondContact OG1-OG 3.14Å; N484-S497 WeakPolarHBondContact CB-OG 3.34Å; N484-S497 PolarHBondContact N-OG 3.37Å; N484-S497 PolarHBondContact O-N 2.95Å; N484-S497 VanDerWaalsContact O-N 3.1Å
498	S	97.2	Very high	96.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.			trans	-141.4	-173.1	166.9	65.8	0	0	0	0	109.8	Y50 F476 P481 F500 G501	Y50-S498 WeakPolarHBondContact CB-O 3.46Å; Y50-S498 WeakPolarHBondContact CD2-O 3.47Å; Y50-S498 PolarHBondContact N-O 2.61Å; F476-S498 VanDerWaalsContact CD1-OG 3.29Å; F476-S498 WeakPolarHBondContact CD1-OG 3.33Å; F476-S498 WeakPolarHBondContact CE1-OG 3.26Å; F476-S498 VanDerWaalsContact CE2-CB 3.47Å; F476-S498 VanDerWaalsContact CZ-OG 3.31Å; F476-S498 WeakPolarHBondContact CZ-OG 3.42Å; P481-S498 VanDerWaalsContact O-CB 3.28Å; P481-S498 WeakPolarHBondContact O-CB 3.17Å; S498-F500 PolarHBondContact O-N 3.03Å; S498-F500 PolarHBondContact OG-N 2.9Å; S498-G501 PolarHBondContact N-O 3.28Å
499	E	95	Very high	96	Very high	76 Å²	76	24.3 Å²	24.3	36%	0.355	12%	0.117	S	C	.	.	S	Bend	trans	-66.6	-17.7	172.2	72.5	-172.9	142.2	0	0	113.9	A47 M48 D49 A480	A47-E499 CarbonylContact C-O 3.58Å; A47-E499 WeakPolarHBondContact CA-O 3.47Å; A47-E499 HydrophobicContact CB-CB 4.21Å; A47-E499 HydrophobicContact CB-CG 4.02Å; M48-E499 PolarHBondContact N-O 2.72Å; D49-E499 PolarHBondContact N-O 3.46Å; A480-E499 HydrophobicContact CB-CG 4.39Å
500	F	95.8	Very high	96.1	Very high	45 Å²	45	22.2 Å²	22.2	20%	0.197	10%	0.102	C	C	.	.	S	Bend	trans	-104.2	-14.6	-174.9	-70.1	-80.1	0	0	0	114.9	S42 A47 Y50 N478 A480 S498	S42-F500 WeakPolarHBondContact CB-O 3.44Å; A47-F500 HydrophobicContact CB-CE1 4.14Å; A47-F500 HydrophobicContact CB-CZ 4.21Å; Y50-F500 WeakPolarHBondContact CE2-O 3.49Å; N478-F500 HydrophobicContact CB-CD2 4.27Å; N478-F500 HydrophobicContact CB-CE2 4.27Å; N478-F500 WeakPolarHBondContact ND2-CD1 3.14Å; A480-F500 HydrophobicContact CB-CD2 3.44Å; A480-F500 VanDerWaalsContact CB-CD2 3.44Å; A480-F500 HydrophobicContact CB-CE2 3.87Å; S498-F500 PolarHBondContact O-N 3.03Å; S498-F500 PolarHBondContact OG-N 2.9Å
501	G	96.4	Very high	96	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.1	C	C	.	.			trans	169.4	-168.1	177.3	0	0	0	0	0	113.8	F41 Y50 S498	F41-G501 VanDerWaalsContact O-CA 3.32Å; F41-G501 WeakPolarHBondContact O-CA 3.37Å; Y50-G501 VanDerWaalsContact CD2-CA 3.47Å; Y50-G501 VanDerWaalsContact CE2-CA 3.41Å; Y50-G501 VanDerWaalsContact CE2-N 3.26Å; S498-G501 PolarHBondContact N-O 3.28Å
502	V	97.9	Very high	95.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.2	174.7	-173.9	0	0	0	0	108.9	H40 F41 Y50 L53 M62 V64 M73 I78 V496	H40-V502 PolarHBondContact ND1-O 3.27Å; F41-V502 PolarHBondContact N-O 3.49Å; F41-V502 PolarHBondContact O-N 2.77Å; Y50-V502 HydrophobicContact CD1-CG2 3.95Å; Y50-V502 HydrophobicContact CG-CG2 4.25Å; L53-V502 HydrophobicContact CD2-CG1 4.4Å; L53-V502 HydrophobicContact CD2-CG2 4.2Å; M62-V502 HydrophobicContact CE-CG1 3.67Å; V64-V502 HydrophobicContact CG1-CG2 3.94Å; V64-V502 HydrophobicContact CG2-CG2 4.27Å; M73-V502 HydrophobicContact CE-CB 4.41Å; M73-V502 HydrophobicContact CE-CG2 4.21Å; M73-V502 HydrophobicContact SD-CB 4.48Å; I78-V502 HydrophobicContact CD1-CB 4.47Å; I78-V502 HydrophobicContact CD1-CG1 4.28Å; I78-V502 VanDerWaalsContact CD1-O 3.31Å; I78-V502 WeakPolarHBondContact CD1-O 3.26Å; V496-V502 CarbonylContact O-C 3.55Å; V496-V502 VanDerWaalsContact O-CA 3.26Å; V496-V502 WeakPolarHBondContact O-CA 3.32Å
503	S	97.6	Very high	95.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.6	176.1	-60.6	0	0	0	0	109.6	E39 H40 V475 F476 Y495 V496	E39-S503 CarbonylContact O-C 3.54Å; E39-S503 WeakPolarHBondContact O-CA 3.43Å; H40-S503 PolarHBondContact ND1-OG 3.32Å; V475-S503 PolarHBondContact O-OG 3.22Å; F476-S503 WeakPolarHBondContact CE1-OG 3.32Å; Y495-S503 CarbonylContact C-O 3.53Å; Y495-S503 WeakPolarHBondContact CA-O 3.41Å; V496-S503 PolarHBondContact N-O 3.41Å; V496-S503 PolarHBondContact O-N 2.68Å
504	Q	97.6	Very high	95.2	Very high	8 Å²	8	18.5 Å²	18.5	4%	0.037	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.4	171.8	171.5	-173	-3.3	0	0	108.2	F38 E39 L75 N76 I78 Q493 L494 Y495	F38-Q504 CarbonylContact C-O 3.45Å; F38-Q504 VanDerWaalsContact CA-O 3.32Å; F38-Q504 WeakPolarHBondContact CA-O 3.43Å; E39-Q504 HydrophobicContact CB-CB 4.25Å; E39-Q504 PolarHBondContact N-O 3.32Å; E39-Q504 PolarHBondContact O-N 3.42Å; L75-Q504 PolarHBondContact O-NE2 2.87Å; N76-Q504 PolarHBondContact O-NE2 3.19Å; I78-Q504 HydrophobicContact CD1-CB 3.69Å; I78-Q504 HydrophobicContact CG1-CB 3.82Å; I78-Q504 HydrophobicContact CG2-CB 4.06Å; Q493-Q504 HydrophobicContact CB-CG 4.47Å; L494-Q504 CarbonylContact O-C 3.6Å; L494-Q504 WeakPolarHBondContact O-CA 3.37Å; Y495-Q504 HydrophobicContact CD1-CB 4.1Å; Y495-Q504 HydrophobicContact CD1-CG 4.15Å; Y495-Q504 HydrophobicContact CE1-CB 4.26Å; Y495-Q504 HydrophobicContact CE1-CG 3.85Å
505	V	96.9	Very high	94.5	Very high	2 Å²	2	23 Å²	23	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	131.9	-173.2	-166.1	0	0	0	0	109.9	S37 F38 L473 V475 Q493 L494 V496	S37-V505 WeakPolarHBondContact O-CA 3.34Å; F38-V505 HydrophobicContact CD2-CG2 3.88Å; F38-V505 HydrophobicContact CE2-CG2 4.16Å; L473-V505 HydrophobicContact CD1-CG1 3.74Å; V475-V505 HydrophobicContact CG1-CG2 3.86Å; Q493-V505 CarbonylContact C-O 3.48Å; Q493-V505 PolarHBondContact OE1-O 3.04Å; L494-V505 PolarHBondContact N-O 3.46Å; L494-V505 PolarHBondContact O-N 3.27Å; V496-V505 HydrophobicContact CG2-CG2 4.37Å
506	S	96.3	Very high	93.9	Very high	13 Å²	13	23.6 Å²	23.6	9%	0.091	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	150.2	173.5	176.1	0	0	0	0	111.7	S37 H508 R509	S37-S506 PolarHBondContact O-N 3.42Å; S506-H508 PolarHBondContact O-N 3Å; S506-H508 PolarHBondContact OG-N 3.48Å; S506-H508 PolarHBondContact OG-O 3.13Å; S506-R509 PolarHBondContact O-NH1 2.69Å
507	L	96.3	Very high	93.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-72.9	-17.1	172.4	-60	-178.2	0	0	0	113.3	F444 K454 I487 Q492 L494 Y527	F444-L507 HydrophobicContact CE1-CD2 4.1Å; F444-L507 HydrophobicContact CE2-CD2 3.92Å; F444-L507 HydrophobicContact CZ-CB 4.17Å; F444-L507 HydrophobicContact CZ-CD2 3.62Å; F444-L507 HydrophobicContact CZ-CG 4.4Å; K454-L507 PolarHBondContact NZ-O 2.6Å; I487-L507 HydrophobicContact CD1-CD1 3.94Å; I487-L507 HydrophobicContact CD1-CD2 3.73Å; I487-L507 HydrophobicContact CG1-CD1 4.13Å; I487-L507 HydrophobicContact CG1-CD2 3.97Å; Q492-L507 PolarHBondContact O-N 3.21Å; Q492-L507 VanDerWaalsContact O-N 3.07Å; L494-L507 HydrophobicContact CB-CD2 3.86Å; L507-Y527 HydrophobicContact CB-CE1 4.09Å; L507-Y527 HydrophobicContact CB-CE2 4.44Å; L507-Y527 HydrophobicContact CD1-CE1 4.35Å
508	H	94.1	Very high	93.1	Very high	42 Å²	42	23.7 Å²	23.7	19%	0.194	14%	0.135	C	C	.	.			trans	-143	145.5	-177.1	65.4	93.5	0	0	0	112.9	S506 Y527 R537	S506-H508 PolarHBondContact O-N 3Å; S506-H508 PolarHBondContact OG-N 3.48Å; S506-H508 PolarHBondContact OG-O 3.13Å; H508-Y527 HydrophobicContact CB-CG 4.09Å; H508-R537 PolarHBondContact CD2-NH1 2.92Å; H508-R537 PolarHBondContact NE2-NH1 2.69Å
509	R	93.5	Very high	92.7	Very high	3 Å²	3	23.7 Å²	23.7	1%	0.011	14%	0.136	C	C	.	.			trans	-138.2	57.3	175.1	-72.4	155.4	-70.1	-71.3	-13.4	110.2	S37 E471 S506 H511 A512	S37-R509 WeakPolarHBondContact OG-CD 3.48Å; S37-R509 WeakPolarHBondContact OG-CG 3.03Å; E471-R509 IonicContact OE1-NH2 3.59Å; E471-R509 PolarHBondContact OE1-NH2 3.06Å; E471-R509 IonicContact OE2-CZ 3.86Å; E471-R509 IonicContact OE2-NE 3.17Å; E471-R509 PolarHBondContact OE2-NE 2.79Å; E471-R509 IonicContact OE2-NH2 3.95Å; E471-R509 PolarHBondContact OE2-NH2 3.05Å; S506-R509 PolarHBondContact O-NH1 2.69Å; R509-H511 PolarHBondContact O-N 3.11Å; R509-A512 HydrophobicContact CB-CB 4.1Å; R509-A512 WeakPolarHBondContact O-CB 3.35Å; R509-A512 PolarHBondContact O-N 3.28Å
510	C	93.8	Very high	92.6	Very high	5 Å²	5	20.4 Å²	20.4	3%	0.034	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-55	-31.2	-170.2	-53.5	0	0	0	0	114.4	A512 Y513 C528 C535 S536	C510-A512 VanDerWaalsContact C-N 3.26Å; C510-A512 PolarHBondContact O-N 3.24Å; C510-Y513 PolarHBondContact O-N 3.1Å; C510-C528 WeakPolarHBondContact CA-SG 3.5Å; C510-C528 HydrophobicContact CB-CB 3.71Å; C510-C528 WeakPolarHBondContact CB-SG 3.16Å; C510-C528 WeakPolarHBondContact SG-CA 3.32Å; C510-C528 WeakPolarHBondContact SG-CB 3.33Å; C510-C528 CovalentContact SG-SG 2.04Å; C510-C528 PolarHBondContact SG-SG 3.45Å; C510-C535 CarbonylContact C-O 3.56Å; C510-C535 WeakPolarHBondContact CB-O 3.31Å; C510-C535 WeakPolarHBondContact O-CB 3.29Å; C510-C535 PolarHBondContact O-SG 2.8Å; C510-C535 VanDerWaalsContact O-SG 3.38Å; C510-S536 PolarHBondContact SG-O 2.95Å
511	H	90.3	Very high	92.4	Very high	130 Å²	130	18.5 Å²	18.5	60%	0.602	11%	0.113	S	C	*	.	G	3₁₀ helix	trans	-63.8	-28.3	175.8	64.6	-88	0	0	0	113.4	R509 Y513 G514	R509-H511 PolarHBondContact O-N 3.11Å; H511-Y513 PolarHBondContact O-N 2.73Å; H511-G514 PolarHBondContact O-N 2.76Å
512	A	90.9	Very high	92.1	Very high	38 Å²	38	18.8 Å²	18.8	31%	0.314	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-66.3	-26.4	179.5	0	0	0	0	0	112.4	I25 R509 C510 G514	I25-A512 HydrophobicContact CD1-CB 4.05Å; I25-A512 WeakPolarHBondContact CD1-O 3.32Å; R509-A512 HydrophobicContact CB-CB 4.1Å; R509-A512 WeakPolarHBondContact O-CB 3.35Å; R509-A512 PolarHBondContact O-N 3.28Å; C510-A512 VanDerWaalsContact C-N 3.26Å; C510-A512 PolarHBondContact O-N 3.24Å; A512-G514 VanDerWaalsContact C-N 3.28Å; A512-G514 PolarHBondContact O-N 3.38Å
513	Y	90.4	Very high	91.9	Very high	7 Å²	7	18.8 Å²	18.8	3%	0.027	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-68.3	-27.4	176.6	-65	-57	0	0	0	113.4	I25 E471 C510 H511 D519 A523 D525 C528	I25-Y513 HydrophobicContact CD1-CD1 3.22Å; I25-Y513 HydrophobicContact CD1-CE1 3.57Å; I25-Y513 HydrophobicContact CD1-CG 4.07Å; I25-Y513 HydrophobicContact CG1-CD1 3.99Å; I25-Y513 HydrophobicContact CG1-CE1 4.09Å; E471-Y513 HydrophobicContact CG-CE1 4.31Å; E471-Y513 VanDerWaalsContact CG-OH 3.3Å; E471-Y513 WeakPolarHBondContact CG-OH 3.44Å; E471-Y513 PolarHBondContact OE1-OH 3.13Å; C510-Y513 PolarHBondContact O-N 3.1Å; H511-Y513 PolarHBondContact O-N 2.73Å; Y513-D519 WeakPolarHBondContact O-CB 3.37Å; Y513-A523 HydrophobicContact CD1-CB 3.58Å; Y513-A523 HydrophobicContact CD2-CB 3.53Å; Y513-A523 HydrophobicContact CE1-CB 3.82Å; Y513-A523 HydrophobicContact CE2-CB 3.79Å; Y513-A523 HydrophobicContact CG-CB 3.43Å; Y513-A523 VanDerWaalsContact CG-CB 3.43Å; Y513-D525 HydrophobicContact CE2-CB 3.72Å; Y513-D525 WeakPolarHBondContact CE2-OD2 3.39Å; Y513-D525 WeakPolarHBondContact OH-CB 3.46Å; Y513-D525 PolarHBondContact OH-OD2 3.07Å; Y513-C528 HydrophobicContact CE2-CB 4.43Å
514	G	86.8	Confident	91.7	Very high	17 Å²	17	20.2 Å²	20.2	18%	0.175	12%	0.12	C	C	.	.			trans	126	170.2	178.5	0	0	0	0	0	113.5	H511 A512 C535	H511-G514 PolarHBondContact O-N 2.76Å; A512-G514 VanDerWaalsContact C-N 3.28Å; A512-G514 PolarHBondContact O-N 3.38Å; G514-C535 WeakPolarHBondContact O-CB 3.38Å
515	S	83.8	Confident	91.6	Very high	96 Å²	96	19.9 Å²	19.9	67%	0.671	12%	0.118	S	C	*	.	S	Bend	trans	-92.1	1.3	-171.1	56.7	0	0	0	0	114.8	W530	S515-W530 WeakPolarHBondContact O-CH2 3.31Å; S515-W530 WeakPolarHBondContact O-CZ3 3.43Å
516	A	86.2	Confident	91.6	Very high	14 Å²	14	19.8 Å²	19.8	12%	0.116	12%	0.118	C	C	.	.	S	Bend	trans	-110.8	152.7	-176.5	0	0	0	0	0	112.4	A518 D519 C520 Y568	A516-A518 VanDerWaalsContact C-N 3.29Å; A516-A518 PolarHBondContact O-N 3.1Å; A516-D519 VanDerWaalsContact O-CB 3.31Å; A516-D519 WeakPolarHBondContact O-CB 3.48Å; A516-D519 PolarHBondContact O-N 2.97Å; A516-C520 PolarHBondContact O-N 3.11Å; A516-Y568 HydrophobicContact CB-CE2 3.94Å; A516-Y568 WeakPolarHBondContact CB-OH 2.99Å
517	C	88.9	Confident	91.5	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.007	11%	0.114	C	C	.	.	H	α-helix	trans	-60.2	-37.3	-176.2	176.5	0	0	0	0	112.7	D519 C520 C521 W530 C560 F563 N564	C517-D519 VanDerWaalsContact C-N 3.3Å; C517-D519 PolarHBondContact O-N 2.57Å; C517-C520 PolarHBondContact O-N 3.2Å; C517-C521 WeakPolarHBondContact O-CB 3.25Å; C517-C521 PolarHBondContact O-N 2.93Å; C517-W530 VanDerWaalsContact CA-CE3 3.43Å; C517-W530 HydrophobicContact CB-CB 4.43Å; C517-W530 HydrophobicContact CB-CD2 3.51Å; C517-W530 HydrophobicContact CB-CE3 3.99Å; C517-W530 HydrophobicContact CB-CG 3.71Å; C517-W530 HydrophobicContact CB-CZ2 4.15Å; C517-W530 HydrophobicContact CB-CZ3 4.48Å; C517-C560 HydrophobicContact CB-CB 3.69Å; C517-C560 WeakPolarHBondContact CB-SG 3.38Å; C517-C560 PolarHBondContact O-SG 3.43Å; C517-C560 VanDerWaalsContact SG-CA 3.57Å; C517-C560 WeakPolarHBondContact SG-CB 3.37Å; C517-C560 CovalentContact SG-SG 2.04Å; C517-C560 PolarHBondContact SG-SG 3.25Å; C517-F563 HydrophobicContact CB-CB 4.22Å; C517-N564 WeakPolarHBondContact CB-OD1 3.37Å; C517-N564 PolarHBondContact N-OD1 3.07Å
518	A	88.9	Confident	91.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-69.2	-32	177.5	0	0	0	0	0	112	A516 C520 C521 L522 P556 N564 Y568 F646	A516-A518 VanDerWaalsContact C-N 3.29Å; A516-A518 PolarHBondContact O-N 3.1Å; A518-C520 VanDerWaalsContact C-N 3.29Å; A518-C520 PolarHBondContact O-N 2.88Å; A518-C521 PolarHBondContact O-N 3.49Å; A518-L522 VanDerWaalsContact O-CB 3.24Å; A518-L522 WeakPolarHBondContact O-CB 3.37Å; A518-L522 WeakPolarHBondContact O-CD1 3.5Å; A518-L522 WeakPolarHBondContact O-CG 3.44Å; A518-L522 PolarHBondContact O-N 3.22Å; A518-P556 HydrophobicContact CB-CB 3.4Å; A518-P556 VanDerWaalsContact CB-CB 3.4Å; A518-P556 HydrophobicContact CB-CG 3.69Å; A518-N564 PolarHBondContact N-ND2 3.17Å; A518-N564 VanDerWaalsContact N-ND2 3.12Å; A518-Y568 VanDerWaalsContact CA-OH 3.29Å; A518-Y568 WeakPolarHBondContact CA-OH 3.24Å; A518-Y568 HydrophobicContact CB-CE1 3.5Å; A518-Y568 VanDerWaalsContact CB-CE1 3.5Å; A518-Y568 VanDerWaalsContact CB-CZ 3.46Å; A518-Y568 WeakPolarHBondContact CB-OH 3.46Å; A518-Y568 PolarHBondContact N-OH 2.87Å; A518-F646 HydrophobicContact CB-CD1 4.46Å; A518-F646 HydrophobicContact CB-CE1 3.82Å; A518-F646 HydrophobicContact CB-CZ 3.86Å
519	D	89.4	Confident	91.5	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-62.6	-42.1	177.3	-73.4	-26	0	0	0	110.8	R24 Y513 A516 C517 A523 K591 R648	R24-D519 PolarHBondContact NH1-O 3.32Å; R24-D519 PolarHBondContact NH2-O 3.36Å; Y513-D519 WeakPolarHBondContact O-CB 3.37Å; A516-D519 VanDerWaalsContact O-CB 3.31Å; A516-D519 WeakPolarHBondContact O-CB 3.48Å; A516-D519 PolarHBondContact O-N 2.97Å; C517-D519 VanDerWaalsContact C-N 3.3Å; C517-D519 PolarHBondContact O-N 2.57Å; D519-A523 PolarHBondContact O-N 2.88Å; D519-K591 IonicContact OD1-NZ 3.89Å; D519-K591 IonicContact OD2-NZ 3.59Å; D519-K591 PolarHBondContact OD2-NZ 3.39Å; D519-R648 IonicContact OD1-CZ 2.76Å; D519-R648 IonicContact OD1-NH1 3.13Å; D519-R648 PolarHBondContact OD1-NH1 2.88Å; D519-R648 IonicContact OD1-NH2 3.88Å; D519-R648 IonicContact OD2-NH1 2.66Å
520	C	91.9	Very high	91.4	Very high	6 Å²	6	18 Å²	18	4%	0.041	11%	0.108	C	C	.	.	H	α-helix	trans	-69.9	-42.5	176	-156.3	0	0	0	0	112.6	A516 C517 A518 A523 W530 C535	A516-C520 PolarHBondContact O-N 3.11Å; C517-C520 PolarHBondContact O-N 3.2Å; A518-C520 VanDerWaalsContact C-N 3.29Å; A518-C520 PolarHBondContact O-N 2.88Å; C520-A523 WeakPolarHBondContact O-CB 3.12Å; C520-A523 PolarHBondContact O-N 3.03Å; C520-A523 VanDerWaalsContact O-N 3.17Å; C520-W530 HydrophobicContact CB-CB 4.31Å; C520-W530 HydrophobicContact CB-CE3 4.3Å; C520-W530 PolarHBondContact SG-N 3.13Å; C520-W530 VanDerWaalsContact SG-N 3.36Å; C520-C535 WeakPolarHBondContact CA-SG 3.48Å; C520-C535 HydrophobicContact CB-CB 3.5Å; C520-C535 VanDerWaalsContact CB-CB 3.5Å; C520-C535 WeakPolarHBondContact CB-SG 3.29Å; C520-C535 WeakPolarHBondContact SG-CA 3.35Å; C520-C535 WeakPolarHBondContact SG-CB 3.09Å; C520-C535 CovalentContact SG-SG 2.04Å; C520-C535 PolarHBondContact SG-SG 3.1Å
521	C	91.4	Very high	91	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.034	12%	0.119	C	C	.	.	H	α-helix	trans	-65.8	-42.9	179.3	-173.4	0	0	0	0	112.1	C517 A518 A523 R524 N555 P556	C517-C521 WeakPolarHBondContact O-CB 3.25Å; C517-C521 PolarHBondContact O-N 2.93Å; A518-C521 PolarHBondContact O-N 3.49Å; C521-A523 PolarHBondContact O-N 3.22Å; C521-R524 PolarHBondContact O-N 3.5Å; C521-N555 VanDerWaalsContact SG-C 3.56Å; C521-P556 HydrophobicContact CB-CG 4.29Å
522	L	91.8	Very high	90.8	Very high	6 Å²	6	15.2 Å²	15.2	3%	0.031	10%	0.104	C	C	.	.	H	α-helix	trans	-67	-16.7	175	-72.7	166.5	0	0	0	112.7	R24 A518 R524 P556 E643 N644 F646	R24-L522 VanDerWaalsContact CZ-C 3.41Å; R24-L522 PolarHBondContact NE-O 3.04Å; A518-L522 VanDerWaalsContact O-CB 3.24Å; A518-L522 WeakPolarHBondContact O-CB 3.37Å; A518-L522 WeakPolarHBondContact O-CD1 3.5Å; A518-L522 WeakPolarHBondContact O-CG 3.44Å; A518-L522 PolarHBondContact O-N 3.22Å; L522-R524 VanDerWaalsContact C-N 3.29Å; L522-R524 PolarHBondContact O-N 2.94Å; L522-P556 HydrophobicContact CD1-CG 4.19Å; L522-P556 HydrophobicContact CD2-CG 3.99Å; L522-P556 HydrophobicContact CG-CG 3.69Å; L522-E643 HydrophobicContact CD1-CB 4.39Å; L522-E643 HydrophobicContact CD1-CG 4.44Å; L522-E643 HydrophobicContact CD2-CG 4.29Å; L522-N644 HydrophobicContact CD2-CB 3.88Å; L522-F646 HydrophobicContact CD1-CD1 3.91Å; L522-F646 HydrophobicContact CD1-CG 4.49Å; L522-F646 HydrophobicContact CD2-CB 4.26Å
523	A	93.4	Very high	90.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-35.1	177	0	0	0	0	0	112.9	R24 L470 Y513 D519 C520 C521 D525	R24-A523 VanDerWaalsContact CZ-CA 3.47Å; R24-A523 VanDerWaalsContact CZ-N 3.33Å; L470-A523 WeakPolarHBondContact CD2-O 3.21Å; Y513-A523 HydrophobicContact CD1-CB 3.58Å; Y513-A523 HydrophobicContact CD2-CB 3.53Å; Y513-A523 HydrophobicContact CE1-CB 3.82Å; Y513-A523 HydrophobicContact CE2-CB 3.79Å; Y513-A523 HydrophobicContact CG-CB 3.43Å; Y513-A523 VanDerWaalsContact CG-CB 3.43Å; D519-A523 PolarHBondContact O-N 2.88Å; C520-A523 WeakPolarHBondContact O-CB 3.12Å; C520-A523 PolarHBondContact O-N 3.03Å; C520-A523 VanDerWaalsContact O-N 3.17Å; C521-A523 PolarHBondContact O-N 3.22Å; A523-D525 HydrophobicContact CB-CB 4.37Å; A523-D525 PolarHBondContact O-N 2.92Å
524	R	93.7	Very high	90.4	Very high	31 Å²	31	22.2 Å²	22.2	12%	0.117	14%	0.139	C	C	.	.			trans	51.7	26.8	-179.1	-53.9	176.6	67	172.3	1.5	112.9	I456 C521 L522 P526 I551 M552	I456-R524 WeakPolarHBondContact CD1-O 3.13Å; C521-R524 PolarHBondContact O-N 3.5Å; L522-R524 VanDerWaalsContact C-N 3.29Å; L522-R524 PolarHBondContact O-N 2.94Å; R524-P526 WeakPolarHBondContact O-CD 3.33Å; R524-I551 VanDerWaalsContact C-CD1 3.48Å; R524-I551 VanDerWaalsContact CZ-O 3.24Å; R524-I551 PolarHBondContact NE-O 3.45Å; R524-I551 PolarHBondContact NH2-O 3.02Å; R524-M552 VanDerWaalsContact NH2-C 3.25Å; R524-M552 PolarHBondContact NH2-O 3.25Å
525	D	95.8	Very high	90.6	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	13%	0.133	C	C	.	.			trans	-87.9	116.8	179.3	-174.5	-19.7	0	0	0	109.3	K454 L470 Y513 A523 Y527 C528 Q549	K454-D525 IonicContact NZ-OD1 2.69Å; K454-D525 PolarHBondContact NZ-OD1 2.56Å; K454-D525 IonicContact NZ-OD2 3.6Å; K454-D525 PolarHBondContact NZ-OD2 3.1Å; L470-D525 HydrophobicContact CD1-CB 4.1Å; Y513-D525 HydrophobicContact CE2-CB 3.72Å; Y513-D525 WeakPolarHBondContact CE2-OD2 3.39Å; Y513-D525 WeakPolarHBondContact OH-CB 3.46Å; Y513-D525 PolarHBondContact OH-OD2 3.07Å; A523-D525 HydrophobicContact CB-CB 4.37Å; A523-D525 PolarHBondContact O-N 2.92Å; D525-Y527 PolarHBondContact O-N 2.83Å; D525-Y527 VanDerWaalsContact O-N 3.09Å; D525-Y527 WeakPolarHBondContact OD1-CB 3.34Å; D525-Y527 VanDerWaalsContact OD1-CD2 3.32Å; D525-Y527 WeakPolarHBondContact OD1-CD2 3.44Å; D525-Y527 PolarHBondContact OD1-N 2.91Å; D525-C528 HydrophobicContact CB-CB 4.1Å; D525-C528 PolarHBondContact O-N 2.84Å; D525-C528 VanDerWaalsContact O-O 3.09Å; D525-Q549 PolarHBondContact O-NE2 2.74Å
526	P	95.5	Very high	91	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.9	-179.5	-28.8	37.9	0	0	0	113.9	V433 A435 Y440 V442 I456 R524 C528 Q549 I551	V433-P526 HydrophobicContact CB-CB 4.02Å; V433-P526 HydrophobicContact CG1-CB 3.76Å; A435-P526 HydrophobicContact CB-CB 4.29Å; Y440-P526 HydrophobicContact CD2-CB 4.48Å; Y440-P526 HydrophobicContact CD2-CG 4.29Å; Y440-P526 HydrophobicContact CG-CG 4.01Å; V442-P526 HydrophobicContact CG2-CB 4.33Å; V442-P526 HydrophobicContact CG2-CG 3.94Å; I456-P526 HydrophobicContact CG2-CG 4.2Å; R524-P526 WeakPolarHBondContact O-CD 3.33Å; P526-C528 VanDerWaalsContact C-N 3.29Å; P526-C528 PolarHBondContact O-N 2.56Å; P526-Q549 PolarHBondContact O-NE2 3.49Å; P526-I551 HydrophobicContact CG-CD1 4.4Å; P526-I551 HydrophobicContact CG-CG2 4.27Å
527	Y	95.9	Very high	91.3	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.016	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-9.6	177.3	-63.7	-86.2	0	0	0	113.8	D431 V433 V442 F444 K454 L507 H508 D525 R537 F538	D431-Y527 WeakPolarHBondContact CB-OH 3.14Å; D431-Y527 VanDerWaalsContact CG-OH 3.25Å; D431-Y527 PolarHBondContact OD2-OH 3.47Å; V433-Y527 HydrophobicContact CB-CE1 4.47Å; V433-Y527 HydrophobicContact CG1-CD1 3.92Å; V433-Y527 HydrophobicContact CG1-CD2 4.43Å; V433-Y527 HydrophobicContact CG1-CE1 3.98Å; V433-Y527 HydrophobicContact CG1-CG 4.18Å; V433-Y527 HydrophobicContact CG2-CD1 4.32Å; V433-Y527 HydrophobicContact CG2-CD2 4.33Å; V433-Y527 HydrophobicContact CG2-CE1 3.6Å; V433-Y527 HydrophobicContact CG2-CE2 3.66Å; V433-Y527 VanDerWaalsContact CG2-OH 3.3Å; V433-Y527 WeakPolarHBondContact CG2-OH 3.27Å; V442-Y527 HydrophobicContact CB-CE2 4.21Å; V442-Y527 HydrophobicContact CG1-CE2 4.11Å; V442-Y527 HydrophobicContact CG2-CE2 4Å; F444-Y527 HydrophobicContact CZ-CE2 4.22Å; K454-Y527 VanDerWaalsContact NZ-CD2 3.31Å; L507-Y527 HydrophobicContact CB-CE1 4.09Å; L507-Y527 HydrophobicContact CB-CE2 4.44Å; L507-Y527 HydrophobicContact CD1-CE1 4.35Å; H508-Y527 HydrophobicContact CB-CG 4.09Å; D525-Y527 PolarHBondContact O-N 2.83Å; D525-Y527 VanDerWaalsContact O-N 3.09Å; D525-Y527 WeakPolarHBondContact OD1-CB 3.34Å; D525-Y527 VanDerWaalsContact OD1-CD2 3.32Å; D525-Y527 WeakPolarHBondContact OD1-CD2 3.44Å; D525-Y527 PolarHBondContact OD1-N 2.91Å; Y527-R537 CarbonylContact O-C 3.45Å; Y527-R537 VanDerWaalsContact O-CA 3.31Å; Y527-R537 WeakPolarHBondContact O-CA 3.07Å; Y527-F538 PolarHBondContact O-N 3.44Å
528	C	95.1	Very high	91.4	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.02	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.6	-170.2	-60.8	0	0	0	0	112.6	C510 Y513 D525 P526 S536 Q549	C510-C528 WeakPolarHBondContact CA-SG 3.5Å; C510-C528 HydrophobicContact CB-CB 3.71Å; C510-C528 WeakPolarHBondContact CB-SG 3.16Å; C510-C528 WeakPolarHBondContact SG-CA 3.32Å; C510-C528 WeakPolarHBondContact SG-CB 3.33Å; C510-C528 CovalentContact SG-SG 2.04Å; C510-C528 PolarHBondContact SG-SG 3.45Å; Y513-C528 HydrophobicContact CE2-CB 4.43Å; D525-C528 HydrophobicContact CB-CB 4.1Å; D525-C528 PolarHBondContact O-N 2.84Å; D525-C528 VanDerWaalsContact O-O 3.09Å; P526-C528 VanDerWaalsContact C-N 3.29Å; P526-C528 PolarHBondContact O-N 2.56Å; C528-S536 WeakPolarHBondContact CA-O 3.38Å; C528-Q549 PolarHBondContact O-NE2 3.28Å
529	A	93.4	Very high	91.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	152	174.8	0	0	0	0	0	110.7	D531 S536 F538 R547 Q549	A529-D531 PolarHBondContact O-N 3.49Å; A529-S536 PolarHBondContact N-O 3.25Å; A529-S536 PolarHBondContact O-N 2.67Å; A529-F538 HydrophobicContact CB-CB 4.19Å; A529-F538 HydrophobicContact CB-CD2 3.8Å; A529-F538 HydrophobicContact CB-CG 4.49Å; A529-R547 HydrophobicContact CB-CG 3.85Å; A529-Q549 HydrophobicContact CB-CB 3.97Å; A529-Q549 HydrophobicContact CB-CG 4.39Å
530	W	91.4	Very high	90.6	Very high	13 Å²	13	31.7 Å²	31.7	5%	0.049	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.1	169.9	-179.5	-103.4	0	0	0	108.7	S515 C517 C520 G532 L533 S534 R547 R548 F563	S515-W530 WeakPolarHBondContact O-CH2 3.31Å; S515-W530 WeakPolarHBondContact O-CZ3 3.43Å; C517-W530 VanDerWaalsContact CA-CE3 3.43Å; C517-W530 HydrophobicContact CB-CB 4.43Å; C517-W530 HydrophobicContact CB-CD2 3.51Å; C517-W530 HydrophobicContact CB-CE3 3.99Å; C517-W530 HydrophobicContact CB-CG 3.71Å; C517-W530 HydrophobicContact CB-CZ2 4.15Å; C517-W530 HydrophobicContact CB-CZ3 4.48Å; C520-W530 HydrophobicContact CB-CB 4.31Å; C520-W530 HydrophobicContact CB-CE3 4.3Å; C520-W530 PolarHBondContact SG-N 3.13Å; C520-W530 VanDerWaalsContact SG-N 3.36Å; W530-G532 VanDerWaalsContact CD1-N 3.3Å; W530-L533 WeakPolarHBondContact CH2-O 3.47Å; W530-S534 VanDerWaalsContact CZ3-C 3.42Å; W530-S534 VanDerWaalsContact CZ3-CA 3.43Å; W530-R547 CarbonylContact O-C 3.57Å; W530-R547 WeakPolarHBondContact O-CA 3.21Å; W530-R547 WeakPolarHBondContact O-CG 3.42Å; W530-R548 HydrophobicContact CB-CB 4.19Å; W530-R548 PolarHBondContact N-O 2.83Å; W530-R548 PolarHBondContact O-N 3.11Å; W530-F563 AromaticContact NE1-CD1 3.82Å; W530-F563 AromaticContact NE1-CG 3.89Å
531	D	86.9	Confident	89.5	Confident	49 Å²	49	34.9 Å²	34.9	26%	0.262	19%	0.19	S	C	.	.			trans	-92.8	-7.4	-179.3	59.3	22.7	0	0	0	114.5	A529 L533 S534 S536 S546	A529-D531 PolarHBondContact O-N 3.49Å; D531-L533 WeakPolarHBondContact OD1-CA 3.47Å; D531-L533 PolarHBondContact OD1-N 3.11Å; D531-S534 PolarHBondContact N-O 3.04Å; D531-S534 VanDerWaalsContact N-O 3.08Å; D531-S534 PolarHBondContact OD1-N 3.08Å; D531-S534 VanDerWaalsContact OD1-O 3.11Å; D531-S534 PolarHBondContact OD2-OG 3.3Å; D531-S536 WeakPolarHBondContact CB-OG 3.31Å; D531-S536 VanDerWaalsContact CG-OG 3.3Å; D531-S536 WeakPolarHBondContact OD2-CB 3.43Å; D531-S536 PolarHBondContact OD2-OG 3.36Å; D531-S546 WeakPolarHBondContact O-CB 3.49Å; D531-S546 PolarHBondContact O-OG 2.95Å
532	G	84.8	Confident	88.1	Confident	27 Å²	27	38.2 Å²	38.2	28%	0.278	23%	0.226	S	C	.	.	S	Bend	trans	118.5	-25.2	-172.8	0	0	0	0	0	112.9	W530	W530-G532 VanDerWaalsContact CD1-N 3.3Å
533	L	83.9	Confident	86.6	Confident	146 Å²	146	47.2 Å²	47.2	76%	0.764	26%	0.264	S	S	*	.	S	Bend	trans	-120.6	-40.7	-178.7	-179.9	63.9	0	0	0	112.5	W530 D531	W530-L533 WeakPolarHBondContact CH2-O 3.47Å; D531-L533 WeakPolarHBondContact OD1-CA 3.47Å; D531-L533 PolarHBondContact OD1-N 3.11Å
534	S	89.4	Confident	85	Confident	46 Å²	46	57.3 Å²	57.3	32%	0.322	30%	0.302	S	S	.	.	S	Bend	trans	-147.3	164.4	-172.5	70.6	0	0	0	0	112	W530 D531 S536	W530-S534 VanDerWaalsContact CZ3-C 3.42Å; W530-S534 VanDerWaalsContact CZ3-CA 3.43Å; D531-S534 PolarHBondContact N-O 3.04Å; D531-S534 VanDerWaalsContact N-O 3.08Å; D531-S534 PolarHBondContact OD1-N 3.08Å; D531-S534 VanDerWaalsContact OD1-O 3.11Å; D531-S534 PolarHBondContact OD2-OG 3.3Å; S534-S536 PolarHBondContact O-N 2.88Å
535	C	91.6	Very high	83.6	Confident	7 Å²	7	67.1 Å²	67.1	5%	0.047	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	109.9	165.7	-164	0	0	0	0	109	C510 G514 C520	C510-C535 CarbonylContact C-O 3.56Å; C510-C535 WeakPolarHBondContact CB-O 3.31Å; C510-C535 WeakPolarHBondContact O-CB 3.29Å; C510-C535 PolarHBondContact O-SG 2.8Å; C510-C535 VanDerWaalsContact O-SG 3.38Å; G514-C535 WeakPolarHBondContact O-CB 3.38Å; C520-C535 WeakPolarHBondContact CA-SG 3.48Å; C520-C535 HydrophobicContact CB-CB 3.5Å; C520-C535 VanDerWaalsContact CB-CB 3.5Å; C520-C535 WeakPolarHBondContact CB-SG 3.29Å; C520-C535 WeakPolarHBondContact SG-CA 3.35Å; C520-C535 WeakPolarHBondContact SG-CB 3.09Å; C520-C535 CovalentContact SG-SG 2.04Å; C520-C535 PolarHBondContact SG-SG 3.1Å
536	S	92.3	Very high	82.2	Confident	30 Å²	30	69.3 Å²	69.3	21%	0.21	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	175.4	-174.9	65	0	0	0	0	111.1	C510 C528 A529 D531 S534 F538	C510-S536 PolarHBondContact SG-O 2.95Å; C528-S536 WeakPolarHBondContact CA-O 3.38Å; A529-S536 PolarHBondContact N-O 3.25Å; A529-S536 PolarHBondContact O-N 2.67Å; D531-S536 WeakPolarHBondContact CB-OG 3.31Å; D531-S536 VanDerWaalsContact CG-OG 3.3Å; D531-S536 WeakPolarHBondContact OD2-CB 3.43Å; D531-S536 PolarHBondContact OD2-OG 3.36Å; S534-S536 PolarHBondContact O-N 2.88Å; S536-F538 PolarHBondContact O-N 3.01Å
537	R	92.3	Very high	81.5	Confident	47 Å²	47	72.4 Å²	72.4	18%	0.177	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	135.6	-177.6	-179.6	177.6	169.1	95	10.6	111.2	Q492 H508 Y527 Y539	Q492-R537 VanDerWaalsContact OE1-CZ 3.28Å; H508-R537 PolarHBondContact CD2-NH1 2.92Å; H508-R537 PolarHBondContact NE2-NH1 2.69Å; Y527-R537 CarbonylContact O-C 3.45Å; Y527-R537 VanDerWaalsContact O-CA 3.31Å; Y527-R537 WeakPolarHBondContact O-CA 3.07Å; R537-Y539 HydrophobicContact CB-CD2 4.44Å; R537-Y539 HydrophobicContact CB-CE2 3.86Å; R537-Y539 VanDerWaalsContact CD-OH 3.28Å; R537-Y539 WeakPolarHBondContact CD-OH 3.44Å; R537-Y539 HydrophobicContact CG-CD2 4.29Å; R537-Y539 HydrophobicContact CG-CE2 3.79Å; R537-Y539 PolarHBondContact NE-OH 2.67Å; R537-Y539 WeakPolarHBondContact O-CD2 3.48Å
538	F	90.9	Very high	81.1	Confident	25 Å²	25	75.2 Å²	75.2	11%	0.11	38%	0.377	C	S	.	.			trans	-71.6	131.5	172.9	-178.2	-102.2	0	0	0	110.6	M434 A436 Y527 A529 S536 P540	M434-F538 WeakPolarHBondContact O-CD1 3.27Å; M434-F538 WeakPolarHBondContact O-CE1 3.32Å; A436-F538 HydrophobicContact CB-CE2 4.16Å; A436-F538 HydrophobicContact CB-CZ 4.34Å; Y527-F538 PolarHBondContact O-N 3.44Å; A529-F538 HydrophobicContact CB-CB 4.19Å; A529-F538 HydrophobicContact CB-CD2 3.8Å; A529-F538 HydrophobicContact CB-CG 4.49Å; S536-F538 PolarHBondContact O-N 3.01Å; F538-P540 HydrophobicContact CE1-CG 4.36Å
539	Y	84.1	Confident	80.9	Confident	125 Å²	125	75.9 Å²	75.9	49%	0.49	38%	0.38	S	S	.	.			trans	-134.9	136.5	170.7	-68.3	-79.4	0	0	0	108.5	R537 T541 R547	R537-Y539 HydrophobicContact CB-CD2 4.44Å; R537-Y539 HydrophobicContact CB-CE2 3.86Å; R537-Y539 VanDerWaalsContact CD-OH 3.28Å; R537-Y539 WeakPolarHBondContact CD-OH 3.44Å; R537-Y539 HydrophobicContact CG-CD2 4.29Å; R537-Y539 HydrophobicContact CG-CE2 3.79Å; R537-Y539 PolarHBondContact NE-OH 2.67Å; R537-Y539 WeakPolarHBondContact O-CD2 3.48Å; Y539-T541 PolarHBondContact O-N 2.9Å; Y539-R547 PolarHBondContact O-NH1 3.45Å
540	P	76.3	Confident	80.8	Confident	93 Å²	93	76.4 Å²	76.4	60%	0.604	38%	0.383	S	S	*	.			trans	-65.8	106.6	173	-16	29.5	0	0	0	109.2	M434 F538	M434-P540 HydrophobicContact SD-CB 4.23Å; M434-P540 HydrophobicContact SD-CG 3.68Å; F538-P540 HydrophobicContact CE1-CG 4.36Å
541	T	70.5	Confident	80.8	Confident	74 Å²	74	75.8 Å²	75.8	45%	0.454	38%	0.38	S	S	.	.			trans	-132.9	147.2	175.4	69.3	0	0	0	0	112	Y539 K543 R547	Y539-T541 PolarHBondContact O-N 2.9Å; T541-K543 VanDerWaalsContact C-N 3.31Å; T541-K543 PolarHBondContact O-N 2.89Å; T541-R547 PolarHBondContact OG1-NH1 3.49Å
542	G	62	Low	80.9	Confident	75 Å²	75	76.3 Å²	76.3	77%	0.773	38%	0.382	S	S	*	.	S	Bend	trans	-72.6	-12.5	-177.9	0	0	0	0	0	115.7	R544	G542-R544 PolarHBondContact O-N 3.27Å
543	K	59.2	Low	81	Confident	194 Å²	194	81.2 Å²	81.2	84%	0.843	40%	0.397	S	S	*	.			trans	-90.3	91.4	-179.3	-67.6	-171.7	-178.7	179.7	0	110.6	T541	T541-K543 VanDerWaalsContact C-N 3.31Å; T541-K543 PolarHBondContact O-N 2.89Å
544	R	60	Low	81.3	Confident	212 Å²	212	74.3 Å²	74.3	80%	0.8	36%	0.361	S	S	*	.			trans	-81.7	-11.7	-165.1	-65	-179	178.3	-171.3	-1.8	117.7	G542 S546	G542-R544 PolarHBondContact O-N 3.27Å; R544-S546 PolarHBondContact O-N 2.78Å
545	R	63.4	Low	81.2	Confident	237 Å²	237	74.8 Å²	74.8	89%	0.894	36%	0.36	S	S	*	.	S	Bend	trans	-68.7	-32.3	-155	-70.8	-171.3	-177.9	-171.2	1.4	115.5	R548	R545-R548 PolarHBondContact O-NH1 3.17Å; R545-R548 PolarHBondContact O-NH2 2.88Å
546	S	67.1	Low	81.1	Confident	47 Å²	47	74.6 Å²	74.6	33%	0.329	36%	0.359	S	S	.	.	S	Bend	trans	-113	-11.3	-176.1	55.9	0	0	0	0	116	D531 R544	D531-S546 WeakPolarHBondContact O-CB 3.49Å; D531-S546 PolarHBondContact O-OG 2.95Å; R544-S546 PolarHBondContact O-N 2.78Å
547	R	81.8	Confident	80.7	Confident	65 Å²	65	78.4 Å²	78.4	25%	0.245	38%	0.376	C	S	.	.			trans	-78.3	132.5	-173.6	-166	177	-77.1	138.5	-2.7	112.6	A529 W530 Y539 T541	A529-R547 HydrophobicContact CB-CG 3.85Å; W530-R547 CarbonylContact O-C 3.57Å; W530-R547 WeakPolarHBondContact O-CA 3.21Å; W530-R547 WeakPolarHBondContact O-CG 3.42Å; Y539-R547 PolarHBondContact O-NH1 3.45Å; T541-R547 PolarHBondContact OG1-NH1 3.49Å
548	R	87.6	Confident	80.4	Confident	63 Å²	63	79.6 Å²	79.6	24%	0.238	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-133.6	129.3	-180	-54.3	-66.6	178.7	-94.8	-3.6	111.3	W530 R545 Q559	W530-R548 HydrophobicContact CB-CB 4.19Å; W530-R548 PolarHBondContact N-O 2.83Å; W530-R548 PolarHBondContact O-N 3.11Å; R545-R548 PolarHBondContact O-NH1 3.17Å; R545-R548 PolarHBondContact O-NH2 2.88Å; R548-Q559 HydrophobicContact CB-CB 4.32Å; R548-Q559 WeakPolarHBondContact CD-O 3.5Å; R548-Q559 VanDerWaalsContact CG-O 3.25Å; R548-Q559 WeakPolarHBondContact CG-O 3.32Å; R548-Q559 PolarHBondContact NE-O 3.23Å
549	Q	91.1	Very high	80.1	Confident	17 Å²	17	81 Å²	81	8%	0.079	40%	0.396	C	S	.	.			trans	-150.8	139.6	176.3	-169.8	-178.2	44.7	0	0	107.7	A436 D525 P526 C528 A529 I551	A436-Q549 HydrophobicContact CB-CB 4.1Å; D525-Q549 PolarHBondContact O-NE2 2.74Å; P526-Q549 PolarHBondContact O-NE2 3.49Å; C528-Q549 PolarHBondContact O-NE2 3.28Å; A529-Q549 HydrophobicContact CB-CB 3.97Å; A529-Q549 HydrophobicContact CB-CG 4.39Å; Q549-I551 HydrophobicContact CG-CD1 3.67Å; Q549-I551 HydrophobicContact CG-CG1 4.08Å
550	D	89.9	Confident	80.2	Confident	12 Å²	12	75.2 Å²	75.2	6%	0.064	37%	0.374	C	S	.	.			trans	-150.4	92.1	179.2	177.6	1.1	0	0	0	108.3	H553 G554 N555 Q559	D550-H553 WeakPolarHBondContact OD1-CA 3.43Å; D550-H553 WeakPolarHBondContact OD1-CB 3.46Å; D550-H553 IonicContact OD1-CD2 3.95Å; D550-H553 IonicContact OD1-CG 2.61Å; D550-H553 PolarHBondContact OD1-N 2.87Å; D550-G554 VanDerWaalsContact CG-N 3.27Å; D550-G554 WeakPolarHBondContact O-CA 3.31Å; D550-G554 PolarHBondContact O-N 2.95Å; D550-G554 VanDerWaalsContact O-N 3.11Å; D550-G554 PolarHBondContact OD1-N 3.08Å; D550-G554 PolarHBondContact OD2-N 3.46Å; D550-N555 PolarHBondContact OD2-N 2.85Å; D550-Q559 HydrophobicContact CB-CG 3.7Å
551	I	91.9	Very high	80.3	Confident	1 Å²	1	80 Å²	80	1%	0.005	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-42	-175.6	-52.8	-56.1	0	0	0	110.1	A435 Y440 I456 L458 R524 P526 Q549	A435-I551 HydrophobicContact CB-CG1 3.98Å; Y440-I551 HydrophobicContact CD1-CG2 3.91Å; Y440-I551 HydrophobicContact CD2-CG2 4.31Å; Y440-I551 HydrophobicContact CE1-CB 4.16Å; Y440-I551 HydrophobicContact CE1-CG2 3.47Å; Y440-I551 VanDerWaalsContact CE1-CG2 3.47Å; Y440-I551 HydrophobicContact CE2-CB 3.9Å; Y440-I551 HydrophobicContact CE2-CG1 4.09Å; Y440-I551 HydrophobicContact CE2-CG2 3.92Å; Y440-I551 HydrophobicContact CG-CG2 4.3Å; Y440-I551 VanDerWaalsContact CZ-CG2 3.47Å; I456-I551 HydrophobicContact CD1-CG2 3.79Å; L458-I551 HydrophobicContact CD2-CG2 4.48Å; R524-I551 VanDerWaalsContact C-CD1 3.48Å; R524-I551 VanDerWaalsContact CZ-O 3.24Å; R524-I551 PolarHBondContact NE-O 3.45Å; R524-I551 PolarHBondContact NH2-O 3.02Å; P526-I551 HydrophobicContact CG-CD1 4.4Å; P526-I551 HydrophobicContact CG-CG2 4.27Å; Q549-I551 HydrophobicContact CG-CD1 3.67Å; Q549-I551 HydrophobicContact CG-CG1 4.08Å
552	M	88.4	Confident	80.2	Confident	59 Å²	59	79.5 Å²	79.5	29%	0.291	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-39.8	-178.2	-73.4	-51.6	-69.8	0	0	114.8	D437 Y440 L458 P459 R524	D437-M552 WeakPolarHBondContact OD2-CG 3.29Å; D437-M552 PolarHBondContact OD2-N 3.02Å; Y440-M552 HydrophobicContact CE1-SD 4.1Å; Y440-M552 WeakPolarHBondContact OH-CG 3.09Å; Y440-M552 PolarHBondContact OH-SD 3.48Å; L458-M552 HydrophobicContact CD2-SD 4.26Å; P459-M552 HydrophobicContact CG-SD 4.45Å; P459-M552 VanDerWaalsContact O-CE 3.28Å; P459-M552 WeakPolarHBondContact O-CE 3.05Å; R524-M552 VanDerWaalsContact NH2-C 3.25Å; R524-M552 PolarHBondContact NH2-O 3.25Å
553	H	88	Confident	80.4	Confident	131 Å²	131	79.8 Å²	79.8	61%	0.606	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-25.3	-173.2	-54.3	-61.1	0	0	0	113.1	D550 N555 N644	D550-H553 WeakPolarHBondContact OD1-CA 3.43Å; D550-H553 WeakPolarHBondContact OD1-CB 3.46Å; D550-H553 IonicContact OD1-CD2 3.95Å; D550-H553 IonicContact OD1-CG 2.61Å; D550-H553 PolarHBondContact OD1-N 2.87Å; H553-N555 VanDerWaalsContact C-N 3.31Å; H553-N555 HydrophobicContact CB-CB 4.46Å; H553-N555 PolarHBondContact O-N 2.93Å; H553-N644 PolarHBondContact O-ND2 3.39Å
554	G	89.1	Confident	80.4	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	33%	0.334	C	S	.	.			trans	53.7	45.8	-178.5	0	0	0	0	0	112.5	D550 P556 N644	D550-G554 VanDerWaalsContact CG-N 3.27Å; D550-G554 WeakPolarHBondContact O-CA 3.31Å; D550-G554 PolarHBondContact O-N 2.95Å; D550-G554 VanDerWaalsContact O-N 3.11Å; D550-G554 PolarHBondContact OD1-N 3.08Å; D550-G554 PolarHBondContact OD2-N 3.46Å; G554-P556 VanDerWaalsContact O-CD 3.29Å; G554-P556 WeakPolarHBondContact O-CD 3.5Å; G554-N644 PolarHBondContact O-ND2 2.97Å; G554-N644 VanDerWaalsContact O-ND2 3.11Å
555	N	88.1	Confident	80.1	Confident	57 Å²	57	66.6 Å²	66.6	31%	0.305	32%	0.323	S	S	.	.			trans	-100.9	105	-172.2	-175.6	-9.7	0	0	0	112.7	C521 D550 H553 L557 T558 Q559	C521-N555 VanDerWaalsContact SG-C 3.56Å; D550-N555 PolarHBondContact OD2-N 2.85Å; H553-N555 VanDerWaalsContact C-N 3.31Å; H553-N555 HydrophobicContact CB-CB 4.46Å; H553-N555 PolarHBondContact O-N 2.93Å; N555-L557 VanDerWaalsContact C-N 3.33Å; N555-L557 PolarHBondContact O-N 3.28Å; N555-L557 WeakPolarHBondContact OD1-CB 3.05Å; N555-L557 PolarHBondContact OD1-N 2.05Å; N555-T558 PolarHBondContact O-OG1 3.37Å; N555-Q559 WeakPolarHBondContact O-CB 3.43Å; N555-Q559 VanDerWaalsContact O-CG 3.29Å; N555-Q559 WeakPolarHBondContact O-CG 3.26Å; N555-Q559 PolarHBondContact O-N 3.31Å
556	P	88.9	Confident	79.4	Confident	3 Å²	3	64 Å²	64	2%	0.019	32%	0.319	C	S	.	.	H	α-helix	trans	-72.2	-22.7	-179.2	-20.8	36.2	0	0	0	114.6	A518 C521 L522 G554 T558 C560 F646	A518-P556 HydrophobicContact CB-CB 3.4Å; A518-P556 VanDerWaalsContact CB-CB 3.4Å; A518-P556 HydrophobicContact CB-CG 3.69Å; C521-P556 HydrophobicContact CB-CG 4.29Å; L522-P556 HydrophobicContact CD1-CG 4.19Å; L522-P556 HydrophobicContact CD2-CG 3.99Å; L522-P556 HydrophobicContact CG-CG 3.69Å; G554-P556 VanDerWaalsContact O-CD 3.29Å; G554-P556 WeakPolarHBondContact O-CD 3.5Å; P556-T558 VanDerWaalsContact C-N 3.3Å; P556-T558 PolarHBondContact O-N 2.9Å; P556-C560 VanDerWaalsContact O-CB 3.28Å; P556-C560 WeakPolarHBondContact O-CB 3.43Å; P556-C560 PolarHBondContact O-N 3.27Å; P556-F646 HydrophobicContact CB-CD2 3.84Å; P556-F646 HydrophobicContact CB-CE2 3.84Å; P556-F646 HydrophobicContact CB-CG 4.32Å; P556-F646 HydrophobicContact CB-CZ 4.31Å; P556-F646 HydrophobicContact CG-CB 4.23Å; P556-F646 HydrophobicContact CG-CD1 4.31Å; P556-F646 HydrophobicContact CG-CD2 3.87Å; P556-F646 HydrophobicContact CG-CE2 4.3Å; P556-F646 HydrophobicContact CG-CG 3.87Å
557	L	85.3	Confident	78.7	Confident	109 Å²	109	65.2 Å²	65.2	57%	0.571	33%	0.331	S	S	*	.	H	α-helix	trans	-71.1	-27.5	-175.1	-64.6	173.8	0	0	0	112.6	N555 R561 F646	N555-L557 VanDerWaalsContact C-N 3.33Å; N555-L557 PolarHBondContact O-N 3.28Å; N555-L557 WeakPolarHBondContact OD1-CB 3.05Å; N555-L557 PolarHBondContact OD1-N 2.05Å; L557-R561 WeakPolarHBondContact O-CG 3.23Å; L557-R561 PolarHBondContact O-NE 3.46Å; L557-F646 HydrophobicContact CD2-CD2 4.02Å; L557-F646 HydrophobicContact CD2-CE2 3.86Å; L557-F646 HydrophobicContact CG-CD2 4.04Å; L557-F646 HydrophobicContact CG-CE2 4.33Å
558	T	84.5	Confident	77.3	Confident	72 Å²	72	63.9 Å²	63.9	44%	0.442	33%	0.327	S	S	.	.	H	α-helix	trans	-91.2	-46.1	174.8	51.9	0	0	0	0	110.3	N555 P556	N555-T558 PolarHBondContact O-OG1 3.37Å; P556-T558 VanDerWaalsContact C-N 3.3Å; P556-T558 PolarHBondContact O-N 2.9Å
559	Q	85.9	Confident	75.7	Confident	55 Å²	55	69.4 Å²	69.4	26%	0.257	35%	0.347	S	S	.	.	H	α-helix	trans	-74.4	-37.6	-172.4	-63.5	-59.4	-21.5	0	0	113.8	R548 D550 N555	R548-Q559 HydrophobicContact CB-CB 4.32Å; R548-Q559 WeakPolarHBondContact CD-O 3.5Å; R548-Q559 VanDerWaalsContact CG-O 3.25Å; R548-Q559 WeakPolarHBondContact CG-O 3.32Å; R548-Q559 PolarHBondContact NE-O 3.23Å; D550-Q559 HydrophobicContact CB-CG 3.7Å; N555-Q559 WeakPolarHBondContact O-CB 3.43Å; N555-Q559 VanDerWaalsContact O-CG 3.29Å; N555-Q559 WeakPolarHBondContact O-CG 3.26Å; N555-Q559 PolarHBondContact O-N 3.31Å
560	C	85	Confident	74.2	Confident	4 Å²	4	74.2 Å²	74.2	3%	0.027	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	21.4	-168.5	-60.5	0	0	0	0	114.9	C517 P556 G562 F563 N564	C517-C560 HydrophobicContact CB-CB 3.69Å; C517-C560 WeakPolarHBondContact CB-SG 3.38Å; C517-C560 PolarHBondContact O-SG 3.43Å; C517-C560 VanDerWaalsContact SG-CA 3.57Å; C517-C560 WeakPolarHBondContact SG-CB 3.37Å; C517-C560 CovalentContact SG-SG 2.04Å; C517-C560 PolarHBondContact SG-SG 3.25Å; P556-C560 VanDerWaalsContact O-CB 3.28Å; P556-C560 WeakPolarHBondContact O-CB 3.43Å; P556-C560 PolarHBondContact O-N 3.27Å; C560-G562 PolarHBondContact O-N 3.38Å; C560-F563 PolarHBondContact O-N 2.92Å; C560-N564 HydrophobicContact CB-CB 4.44Å; C560-N564 WeakPolarHBondContact CB-ND2 3.46Å
561	R	78.5	Confident	73.3	Confident	193 Å²	193	74.4 Å²	74.4	73%	0.728	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	126.3	175.6	-66.6	-172.5	178.9	-173.6	0.9	110.1	L557 F563	L557-R561 WeakPolarHBondContact O-CG 3.23Å; L557-R561 PolarHBondContact O-NE 3.46Å; R561-F563 PolarHBondContact O-N 3.02Å
562	G	69.6	Low	72.5	Confident	64 Å²	64	78 Å²	78	66%	0.66	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-23	179.1	0	0	0	0	0	116	C560	C560-G562 PolarHBondContact O-N 3.38Å
563	F	65.6	Low	72.4	Confident	80 Å²	80	79.7 Å²	79.7	35%	0.351	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-17.6	179.4	-64.8	-79.6	0	0	0	113.4	C517 W530 C560 R561	C517-F563 HydrophobicContact CB-CB 4.22Å; W530-F563 AromaticContact NE1-CD1 3.82Å; W530-F563 AromaticContact NE1-CG 3.89Å; C560-F563 PolarHBondContact O-N 2.92Å; R561-F563 PolarHBondContact O-N 3.02Å
564	N	58.8	Low	72.6	Confident	19 Å²	19	78.9 Å²	78.9	10%	0.102	41%	0.412	C	S	.	.	S	Bend	trans	-121	9.7	-163.7	-79.4	-7	0	0	0	115.1	C517 A518 C560 K566 Y568	C517-N564 WeakPolarHBondContact CB-OD1 3.37Å; C517-N564 PolarHBondContact N-OD1 3.07Å; A518-N564 PolarHBondContact N-ND2 3.17Å; A518-N564 VanDerWaalsContact N-ND2 3.12Å; C560-N564 HydrophobicContact CB-CB 4.44Å; C560-N564 WeakPolarHBondContact CB-ND2 3.46Å; N564-K566 PolarHBondContact O-N 2.88Å; N564-Y568 HydrophobicContact CB-CD2 3.4Å; N564-Y568 HydrophobicContact CB-CE2 3.24Å; N564-Y568 HydrophobicContact CB-CG 4.25Å; N564-Y568 VanDerWaalsContact CG-CZ 3.47Å; N564-Y568 WeakPolarHBondContact ND2-CE2 3.48Å; N564-Y568 VanDerWaalsContact ND2-CZ 3.33Å; N564-Y568 PolarHBondContact ND2-OH 3Å; N564-Y568 WeakPolarHBondContact O-CB 3.22Å; N564-Y568 WeakPolarHBondContact O-CD2 3.04Å; N564-Y568 WeakPolarHBondContact OD1-CE2 3.04Å
565	L	53	Low	72.7	Confident	110 Å²	110	81.7 Å²	81.7	58%	0.576	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-21	-173.1	-81	158.2	0	0	0	114.7
566	K	49.4	Very low	73	Confident	183 Å²	183	81.8 Å²	81.8	80%	0.796	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-43	-178.6	-69.1	-174.8	179.4	-179.6	0	114.1	N564	N564-K566 PolarHBondContact O-N 2.88Å
567	A	52.4	Low	73.1	Confident	72 Å²	72	85.4 Å²	85.4	60%	0.595	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-30.4	-178.9	0	0	0	0	0	113.8
568	Y	52.3	Low	73.4	Confident	38 Å²	38	80.2 Å²	80.2	15%	0.149	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-18.3	-173.6	-70.6	-104.1	0	0	0	113.6	A516 A518 N564 F646 R648	A516-Y568 HydrophobicContact CB-CE2 3.94Å; A516-Y568 WeakPolarHBondContact CB-OH 2.99Å; A518-Y568 VanDerWaalsContact CA-OH 3.29Å; A518-Y568 WeakPolarHBondContact CA-OH 3.24Å; A518-Y568 HydrophobicContact CB-CE1 3.5Å; A518-Y568 VanDerWaalsContact CB-CE1 3.5Å; A518-Y568 VanDerWaalsContact CB-CZ 3.46Å; A518-Y568 WeakPolarHBondContact CB-OH 3.46Å; A518-Y568 PolarHBondContact N-OH 2.87Å; N564-Y568 HydrophobicContact CB-CD2 3.4Å; N564-Y568 HydrophobicContact CB-CE2 3.24Å; N564-Y568 HydrophobicContact CB-CG 4.25Å; N564-Y568 VanDerWaalsContact CG-CZ 3.47Å; N564-Y568 WeakPolarHBondContact ND2-CE2 3.48Å; N564-Y568 VanDerWaalsContact ND2-CZ 3.33Å; N564-Y568 PolarHBondContact ND2-OH 3Å; N564-Y568 WeakPolarHBondContact O-CB 3.22Å; N564-Y568 WeakPolarHBondContact O-CD2 3.04Å; N564-Y568 WeakPolarHBondContact OD1-CE2 3.04Å; Y568-F646 HydrophobicContact CD1-CE1 4.05Å; Y568-F646 AromaticContact CD1-CZ 3.69Å; Y568-F646 HydrophobicContact CD1-CZ 3.69Å; Y568-F646 AromaticContact CE1-CE1 3.72Å; Y568-F646 HydrophobicContact CE1-CE1 3.72Å; Y568-F646 AromaticContact CE1-CZ 3.56Å; Y568-F646 HydrophobicContact CE1-CZ 3.56Å; Y568-R648 HydrophobicContact CD1-CB 4.34Å
569	R	53.3	Low	73.7	Confident	178 Å²	178	78.4 Å²	78.4	67%	0.672	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-20	178.2	-72.9	-174.2	172.4	-171.4	-1	112.7	K652	R569-K652 PolarHBondContact O-NZ 3.06Å
570	N	59.6	Low	73.9	Confident	119 Å²	119	80 Å²	80	64%	0.636	41%	0.409	S	S	*	.			trans	-121.5	56.3	-170.7	-63.9	-9.6	0	0	0	111.7	A572	N570-A572 PolarHBondContact O-N 3.09Å
571	A	72.1	Confident	74.2	Confident	16 Å²	16	84.3 Å²	84.3	13%	0.132	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-51.7	128.1	153.1	0	0	0	0	0	107.4	E573 T649 K652	A571-E573 PolarHBondContact O-N 2.87Å; A571-T649 HydrophobicContact CB-CG2 4.18Å; A571-K652 HydrophobicContact CB-CG 4.24Å; A571-K652 WeakPolarHBondContact O-CD 3.47Å
572	A	73.9	Confident	74.8	Confident	77 Å²	77	79.6 Å²	79.6	64%	0.636	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-57.2	138.9	-178.6	0	0	0	0	0	109.3	N570	N570-A572 PolarHBondContact O-N 3.09Å
573	E	88	Confident	75.9	Confident	94 Å²	94	81.3 Å²	81.3	44%	0.439	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.2	175.8	-170.6	171.8	150.3	0	0	109	A571 L636 K652 R654	A571-E573 PolarHBondContact O-N 2.87Å; E573-L636 HydrophobicContact CG-CD1 4.03Å; E573-K652 CarbonylContact C-O 3.5Å; E573-K652 WeakPolarHBondContact CA-O 3.5Å; E573-K652 HydrophobicContact CB-CB 4.46Å; E573-R654 IonicContact OE1-CZ 3.38Å; E573-R654 IonicContact OE1-NE 2.61Å; E573-R654 PolarHBondContact OE1-NE 3.35Å; E573-R654 IonicContact OE1-NH2 2.75Å; E573-R654 PolarHBondContact OE1-NH2 3.28Å; E573-R654 IonicContact OE2-NH2 3.76Å
574	M	90.4	Very high	77.2	Confident	113 Å²	113	78.1 Å²	78.1	56%	0.557	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.9	177.7	-60.2	173.9	65.3	0	0	108.5	K652 I653 R654	M574-K652 PolarHBondContact N-O 3.26Å; M574-I653 CarbonylContact O-C 3.47Å; M574-I653 WeakPolarHBondContact O-CA 3.45Å; M574-R654 PolarHBondContact O-N 3.3Å
575	V	92.8	Very high	79	Confident	59 Å²	59	80.8 Å²	80.8	36%	0.358	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.9	175.4	-174.6	0	0	0	0	108.4	Y577	V575-Y577 HydrophobicContact CG1-CE2 3.7Å
576	Q	93.6	Very high	81	Confident	60 Å²	60	75.5 Å²	75.5	28%	0.28	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.1	177.8	-166.8	170.9	0.7	0	0	110.1	F585 L586 I653 R654 L655 H656	Q576-F585 PolarHBondContact NE2-O 3.49Å; Q576-L586 VanDerWaalsContact OE1-CD2 3.25Å; Q576-I653 HydrophobicContact CB-CG2 3.89Å; Q576-R654 PolarHBondContact N-O 3.17Å; Q576-L655 CarbonylContact O-C 3.57Å; Q576-L655 WeakPolarHBondContact O-CA 3.37Å; Q576-H656 PolarHBondContact O-N 2.99Å
577	Y	91.7	Very high	83	Confident	79 Å²	79	72.9 Å²	72.9	31%	0.31	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.7	-179.1	-62.3	-90.1	0	0	0	109.7	V575 H656 L658 F687	V575-Y577 HydrophobicContact CG1-CE2 3.7Å; Y577-H656 WeakPolarHBondContact CA-O 3.44Å; Y577-H656 HydrophobicContact CD1-CB 3.59Å; Y577-H656 HydrophobicContact CE1-CB 3.71Å; Y577-H656 AromaticContact CE1-CG 3.99Å; Y577-H656 HydrophobicContact CG-CB 4.48Å; Y577-L658 HydrophobicContact CD1-CD1 4.19Å; Y577-L658 HydrophobicContact CD1-CD2 4.19Å; Y577-L658 HydrophobicContact CD1-CG 4.22Å; Y577-F687 HydrophobicContact CE1-CD1 4.43Å; Y577-F687 AromaticContact CE1-CE1 3.5Å; Y577-F687 HydrophobicContact CE1-CE1 3.5Å; Y577-F687 VanDerWaalsContact CE1-CE1 3.5Å; Y577-F687 AromaticContact CE1-CZ 3.96Å; Y577-F687 HydrophobicContact CE1-CZ 3.96Å; Y577-F687 HydrophobicContact CE2-CE1 4.29Å; Y577-F687 AromaticContact CZ-CE1 3.39Å; Y577-F687 VanDerWaalsContact OH-CD1 3.3Å; Y577-F687 WeakPolarHBondContact OH-CD1 3.22Å; Y577-F687 WeakPolarHBondContact OH-CE1 3.42Å
578	G	91.1	Very high	84.8	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	138.8	170	0	0	0	0	0	110.2	T584 H656 V657 L658	G578-T584 WeakPolarHBondContact CA-OG1 3.2Å; G578-H656 PolarHBondContact N-O 3.34Å; G578-V657 CarbonylContact O-C 3.56Å; G578-V657 WeakPolarHBondContact O-CA 3.45Å; G578-L658 PolarHBondContact O-N 3.06Å
579	V	90.5	Very high	86.5	Confident	34 Å²	34	71.6 Å²	71.6	21%	0.206	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	134.7	173.3	-179.6	0	0	0	0	108.6	N581 N582 V663	V579-N581 PolarHBondContact O-N 3.43Å; V579-N582 HydrophobicContact CB-CB 4.19Å; V579-N582 WeakPolarHBondContact O-CB 3.48Å; V579-N582 PolarHBondContact O-N 3.08Å; V579-N582 VanDerWaalsContact O-N 3.1Å; V579-V663 HydrophobicContact CB-CG2 4.42Å; V579-V663 HydrophobicContact CG1-CG2 3.85Å; V579-V663 HydrophobicContact CG2-CG2 3.77Å
580	K	91.1	Very high	88	Confident	89 Å²	89	64.2 Å²	64.2	39%	0.387	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	139.6	177	-171.6	-177.4	175.7	-172.4	0	110.3	N582 V629 V657 L658	K580-N582 PolarHBondContact O-N 3.32Å; K580-V629 CarbonylContact C-O 3.6Å; K580-V629 WeakPolarHBondContact CA-O 3.26Å; K580-V657 HydrophobicContact CB-CG1 4.4Å; K580-L658 WeakPolarHBondContact CB-O 3.49Å; K580-L658 PolarHBondContact N-O 3.35Å
581	N	89.9	Confident	89	Confident	93 Å²	93	64.1 Å²	64.1	50%	0.497	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	-7.7	-177.3	-56.1	-29.4	0	0	0	116.7	V579 V629	V579-N581 PolarHBondContact O-N 3.43Å; N581-V629 PolarHBondContact N-O 2.87Å
582	N	91	Very high	89.6	Confident	94 Å²	94	63.4 Å²	63.4	50%	0.503	33%	0.332	S	S	.	.	S	Bend	trans	-89.5	167.7	172.9	-81	-13.7	0	0	0	112.2	V579 K580 S628 V629	V579-N582 HydrophobicContact CB-CB 4.19Å; V579-N582 WeakPolarHBondContact O-CB 3.48Å; V579-N582 PolarHBondContact O-N 3.08Å; V579-N582 VanDerWaalsContact O-N 3.1Å; K580-N582 PolarHBondContact O-N 3.32Å; N582-S628 WeakPolarHBondContact O-CA 3.46Å; N582-V629 WeakPolarHBondContact O-CG2 3.36Å; N582-V629 PolarHBondContact O-N 3.11Å
583	T	93.1	Very high	90.2	Very high	101 Å²	101	63.3 Å²	63.3	62%	0.62	33%	0.325	S	S	*	.			trans	-77.7	137.9	172.4	55.1	0	0	0	0	110.7	I626 R627	T583-I626 CarbonylContact C-O 3.6Å; T583-I626 VanDerWaalsContact CA-O 3.31Å; T583-I626 WeakPolarHBondContact CA-O 3.22Å; T583-R627 WeakPolarHBondContact CA-O 3.42Å; T583-R627 WeakPolarHBondContact CG2-O 3.44Å; T583-R627 PolarHBondContact N-O 3.42Å
584	T	93.9	Very high	90.2	Very high	13 Å²	13	62.8 Å²	62.8	8%	0.08	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.3	171.7	-64.7	0	0	0	0	109.7	G578 L586 I626 V629 L655	G578-T584 WeakPolarHBondContact CA-OG1 3.2Å; T584-L586 HydrophobicContact CG2-CD2 4.01Å; T584-I626 PolarHBondContact N-O 2.95Å; T584-I626 PolarHBondContact O-N 3.46Å; T584-V629 WeakPolarHBondContact OG1-CG2 3.5Å; T584-L655 HydrophobicContact CG2-CD1 4.1Å
585	F	95.1	Very high	90.1	Very high	74 Å²	74	57.9 Å²	57.9	33%	0.325	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.8	179.4	-178.5	-109.9	0	0	0	109.8	Q576 E587 T620 H622 L624 L625	Q576-F585 PolarHBondContact NE2-O 3.49Å; F585-E587 HydrophobicContact CD1-CB 4.31Å; F585-E587 HydrophobicContact CE1-CB 4.02Å; F585-E587 HydrophobicContact CE1-CG 4.25Å; F585-T620 HydrophobicContact CE2-CG2 4.44Å; F585-H622 HydrophobicContact CZ-CB 4.05Å; F585-H622 WeakPolarHBondContact CZ-O 3.5Å; F585-L624 WeakPolarHBondContact CA-O 3.22Å; F585-L625 HydrophobicContact CB-CD1 4.28Å; F585-L625 HydrophobicContact CD2-CB 4.03Å; F585-L625 HydrophobicContact CD2-CD1 4.23Å
586	L	94.7	Very high	89.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	103.2	175.2	-47.9	-175.3	0	0	0	108	Q576 T584 W599 G623 L624 I626 Y637 I653 L655	Q576-L586 VanDerWaalsContact OE1-CD2 3.25Å; T584-L586 HydrophobicContact CG2-CD2 4.01Å; L586-W599 HydrophobicContact CB-CH2 3.92Å; L586-W599 HydrophobicContact CB-CZ3 4.35Å; L586-W599 WeakPolarHBondContact O-CZ2 3.27Å; L586-G623 CarbonylContact O-C 3.45Å; L586-G623 WeakPolarHBondContact O-CA 3.26Å; L586-L624 HydrophobicContact CB-CB 4.21Å; L586-L624 HydrophobicContact CD1-CD2 4.11Å; L586-L624 PolarHBondContact N-O 3.07Å; L586-L624 PolarHBondContact O-N 3.13Å; L586-I626 HydrophobicContact CD1-CD1 4.32Å; L586-Y637 HydrophobicContact CD1-CD1 3.65Å; L586-Y637 HydrophobicContact CD1-CD2 3.76Å; L586-Y637 HydrophobicContact CD1-CE1 3.93Å; L586-Y637 HydrophobicContact CD1-CE2 4.06Å; L586-Y637 HydrophobicContact CD1-CG 3.55Å; L586-I653 HydrophobicContact CB-CD1 3.9Å; L586-I653 HydrophobicContact CD2-CG2 4.15Å; L586-L655 HydrophobicContact CD2-CD1 4.14Å; L586-L655 HydrophobicContact CD2-CD2 4.39Å
587	E	92.1	Very high	89.8	Confident	127 Å²	127	57.3 Å²	57.3	59%	0.593	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	132.5	-175.6	-171.9	177.9	178.6	0	0	111.5	F585 V589 I653	F585-E587 HydrophobicContact CD1-CB 4.31Å; F585-E587 HydrophobicContact CE1-CB 4.02Å; F585-E587 HydrophobicContact CE1-CG 4.25Å; E587-V589 HydrophobicContact CG-CG2 4.23Å; E587-I653 WeakPolarHBondContact O-CD1 2.91Å
588	C	90.6	Very high	89.8	Confident	4 Å²	4	58.6 Å²	58.6	3%	0.027	31%	0.306	C	S	.	.			trans	-150.8	105	170	179.3	0	0	0	0	110.1	W599 H622 C639 V650	C588-W599 HydrophobicContact CB-CH2 3.67Å; C588-W599 HydrophobicContact CB-CZ2 3.36Å; C588-H622 CarbonylContact C-O 3.56Å; C588-H622 VanDerWaalsContact C-O 3.3Å; C588-H622 PolarHBondContact N-O 2.84Å; C588-H622 CarbonylContact O-C 3.49Å; C588-H622 VanDerWaalsContact O-O 3.05Å; C588-C639 HydrophobicContact CB-CB 3.64Å; C588-C639 WeakPolarHBondContact CB-SG 3.46Å; C588-C639 WeakPolarHBondContact SG-CB 2.9Å; C588-C639 CovalentContact SG-SG 2Å; C588-C639 PolarHBondContact SG-SG 2.84Å; C588-V650 WeakPolarHBondContact SG-CG2 3.43Å
589	V	87.2	Confident	89.9	Confident	80 Å²	80	59 Å²	59	49%	0.485	31%	0.308	S	S	.	.			trans	-99.6	121	177.9	-175.3	0	0	0	0	109.1	E587	E587-V589 HydrophobicContact CG-CG2 4.23Å
590	P	85.4	Confident	90.1	Very high	23 Å²	23	59 Å²	59	15%	0.149	31%	0.306	C	S	.	.			trans	-70.1	146.8	175.8	29.5	-30.1	0	0	0	109.4	S592 A595 I597 T641	P590-S592 PolarHBondContact O-N 3.23Å; P590-A595 HydrophobicContact CB-CB 4.12Å; P590-I597 HydrophobicContact CB-CG1 4.49Å; P590-I597 HydrophobicContact CG-CD1 4.15Å; P590-I597 HydrophobicContact CG-CG1 4.37Å; P590-T641 HydrophobicContact CB-CG2 3.9Å
591	K	80	Confident	90.2	Very high	116 Å²	116	55 Å²	55	50%	0.504	29%	0.289	S	S	.	.	S	Bend	trans	-67.9	-20.9	177.5	-59.5	-164.3	-177.1	-173.7	0	113.6	D519	D519-K591 IonicContact OD1-NZ 3.89Å; D519-K591 IonicContact OD2-NZ 3.59Å; D519-K591 PolarHBondContact OD2-NZ 3.39Å
592	S	84.8	Confident	90.4	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.007	28%	0.279	C	S	.	.	S	Bend	trans	-130.2	136.9	177.4	-179.1	0	0	0	0	109.6	R24 P590 Q594 A595	R24-S592 WeakPolarHBondContact CG-OG 3.11Å; R24-S592 PolarHBondContact O-OG 3.2Å; P590-S592 PolarHBondContact O-N 3.23Å; S592-Q594 PolarHBondContact O-N 2.03Å; S592-Q594 PolarHBondContact OG-N 3.18Å; S592-A595 WeakPolarHBondContact O-CB 3.34Å; S592-A595 PolarHBondContact O-N 2.72Å; S592-A595 VanDerWaalsContact O-N 3.1Å
593	P	87.1	Confident	90.3	Very high	76 Å²	76	53.2 Å²	53.2	49%	0.494	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.9	171.1	-24.2	36.3	0	0	0	113.7	V22 R24 A595	V22-P593 HydrophobicContact CG1-CB 3.53Å; V22-P593 HydrophobicContact CG1-CG 4.38Å; R24-P593 WeakPolarHBondContact O-CD 3.48Å; P593-A595 PolarHBondContact O-N 3.02Å
594	Q	87.3	Confident	89.6	Confident	83 Å²	83	53.3 Å²	53.3	39%	0.388	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-8.2	177.3	-62.4	178.8	-7.9	0	0	113	V22 V469 S592	V22-Q594 WeakPolarHBondContact O-CG 3.1Å; V22-Q594 PolarHBondContact O-NE2 3.18Å; V469-Q594 PolarHBondContact O-NE2 2.86Å; S592-Q594 PolarHBondContact O-N 2.03Å; S592-Q594 PolarHBondContact OG-N 3.18Å
595	A	88.5	Confident	88.5	Confident	10 Å²	10	61.4 Å²	61.4	8%	0.083	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-93.3	130.3	-175.1	0	0	0	0	0	112.2	P590 S592 P593 T642 E643	P590-A595 HydrophobicContact CB-CB 4.12Å; S592-A595 WeakPolarHBondContact O-CB 3.34Å; S592-A595 PolarHBondContact O-N 2.72Å; S592-A595 VanDerWaalsContact O-N 3.1Å; P593-A595 PolarHBondContact O-N 3.02Å; A595-T642 WeakPolarHBondContact CA-O 3.32Å; A595-E643 HydrophobicContact CB-CB 3.91Å; A595-E643 HydrophobicContact CB-CG 4.36Å
596	S	89.6	Confident	87.8	Confident	73 Å²	73	60.4 Å²	60.4	51%	0.51	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	142.2	173.1	66.3	0	0	0	0	111.6	T641 T642	S596-T641 CarbonylContact O-C 3.53Å; S596-T641 VanDerWaalsContact O-CA 3.29Å; S596-T641 WeakPolarHBondContact O-CA 3.25Å; S596-T642 PolarHBondContact N-O 3.41Å; S596-T642 PolarHBondContact O-N 2.76Å; S596-T642 PolarHBondContact OG-O 2.93Å
597	I	90.6	Very high	87.4	Confident	33 Å²	33	70.6 Å²	70.6	17%	0.169	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	140.7	178.7	-59.5	171.3	0	0	0	111	P590 E621 C639 L640 T641	P590-I597 HydrophobicContact CB-CG1 4.49Å; P590-I597 HydrophobicContact CG-CD1 4.15Å; P590-I597 HydrophobicContact CG-CG1 4.37Å; I597-E621 WeakPolarHBondContact CD1-O 3.08Å; I597-C639 WeakPolarHBondContact CG2-SG 3.4Å; I597-L640 CarbonylContact C-O 3.51Å; I597-L640 WeakPolarHBondContact CA-O 3.36Å; I597-T641 HydrophobicContact CG1-CG2 4.47Å
598	R	92	Very high	87.3	Confident	107 Å²	107	71.6 Å²	71.6	40%	0.404	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.5	172.1	-171.9	176.3	-176.2	176.2	-1.1	110.6	E610 L640	R598-E610 IonicContact CZ-OE1 3.3Å; R598-E610 VanDerWaalsContact CZ-OE1 3.3Å; R598-E610 IonicContact CZ-OE2 3.54Å; R598-E610 VanDerWaalsContact NE-CD 3.33Å; R598-E610 IonicContact NE-OE1 2.7Å; R598-E610 PolarHBondContact NE-OE1 3.33Å; R598-E610 IonicContact NE-OE2 3.64Å; R598-E610 IonicContact NH2-OE1 3.26Å; R598-E610 PolarHBondContact NH2-OE1 2.9Å; R598-E610 IonicContact NH2-OE2 2.68Å; R598-E610 PolarHBondContact NH2-OE2 2.88Å; R598-L640 PolarHBondContact N-O 2.72Å; R598-L640 PolarHBondContact O-N 2.8Å
599	W	94.1	Very high	87.4	Confident	8 Å²	8	76.4 Å²	76.4	3%	0.03	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.4	-177.7	-72.8	95.6	0	0	0	112.5	L586 C588 V611 L624 Y637 Y638 C639 I653	L586-W599 HydrophobicContact CB-CH2 3.92Å; L586-W599 HydrophobicContact CB-CZ3 4.35Å; L586-W599 WeakPolarHBondContact O-CZ2 3.27Å; C588-W599 HydrophobicContact CB-CH2 3.67Å; C588-W599 HydrophobicContact CB-CZ2 3.36Å; W599-V611 HydrophobicContact CB-CB 3.96Å; W599-V611 HydrophobicContact CB-CG2 3.73Å; W599-V611 PolarHBondContact O-N 2.86Å; W599-L624 HydrophobicContact CD2-CB 4.01Å; W599-L624 HydrophobicContact CD2-CD2 4.45Å; W599-L624 HydrophobicContact CG-CB 4.35Å; W599-L624 HydrophobicContact CG-CD1 4.15Å; W599-L624 HydrophobicContact CG-CD2 4.49Å; W599-L624 HydrophobicContact CH2-CB 4.41Å; W599-L624 HydrophobicContact CZ2-CB 3.85Å; W599-Y637 HydrophobicContact CE3-CD1 4.37Å; W599-Y638 WeakPolarHBondContact CA-O 3.18Å; W599-C639 HydrophobicContact CD2-CB 4.38Å; W599-C639 HydrophobicContact CE3-CB 4.09Å; W599-C639 HydrophobicContact CH2-CB 3.79Å; W599-C639 HydrophobicContact CZ2-CB 4.05Å; W599-C639 HydrophobicContact CZ3-CB 3.79Å; W599-I653 HydrophobicContact CH2-CD1 3.83Å; W599-I653 HydrophobicContact CZ3-CD1 4.13Å
600	I	94.3	Very high	87.6	Confident	33 Å²	33	77.6 Å²	77.6	17%	0.169	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.7	173.7	-64.8	178.8	0	0	0	108.4	R608 K609 Y637 Y638 L640	I600-R608 HydrophobicContact CG2-CB 3.66Å; I600-R608 HydrophobicContact CG2-CG 4.11Å; I600-K609 CarbonylContact C-O 3.5Å; I600-K609 WeakPolarHBondContact CA-O 3.34Å; I600-K609 WeakPolarHBondContact CG2-O 3.45Å; I600-Y637 CarbonylContact O-C 3.49Å; I600-Y637 WeakPolarHBondContact O-CA 3.29Å; I600-Y638 HydrophobicContact CG2-CD2 4.35Å; I600-Y638 PolarHBondContact N-O 3.07Å; I600-Y638 PolarHBondContact O-N 3.18Å; I600-L640 HydrophobicContact CB-CD1 3.99Å; I600-L640 HydrophobicContact CD1-CD1 3.48Å; I600-L640 VanDerWaalsContact CD1-CD1 3.48Å; I600-L640 HydrophobicContact CD1-CD2 4.17Å; I600-L640 HydrophobicContact CG1-CD1 3.65Å
601	I	93.8	Very high	88	Confident	5 Å²	5	77.2 Å²	77.2	3%	0.026	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.2	174	-170.2	179.1	0	0	0	110.4	R603 K609 V611 L636 Y637	I601-R603 HydrophobicContact CD1-CG 4.12Å; I601-R603 HydrophobicContact CG1-CG 4.34Å; I601-K609 PolarHBondContact N-O 3.28Å; I601-K609 PolarHBondContact O-N 3.17Å; I601-V611 HydrophobicContact CB-CG2 3.98Å; I601-V611 HydrophobicContact CG2-CG2 4.1Å; I601-L636 CarbonylContact C-O 3.6Å; I601-Y637 HydrophobicContact CB-CD1 4.23Å; I601-Y637 HydrophobicContact CB-CE1 4.15Å; I601-Y637 HydrophobicContact CD1-CE1 3.81Å; I601-Y637 HydrophobicContact CD1-CE2 3.76Å; I601-Y637 VanDerWaalsContact CD1-OH 3.32Å; I601-Y637 WeakPolarHBondContact CD1-OH 3.06Å; I601-Y637 HydrophobicContact CG1-CD1 4.32Å; I601-Y637 HydrophobicContact CG1-CD2 4.33Å; I601-Y637 HydrophobicContact CG1-CE1 4.07Å; I601-Y637 HydrophobicContact CG1-CE2 4.06Å; I601-Y637 HydrophobicContact CG1-CG 4.45Å
602	Q	92.4	Very high	88.5	Confident	65 Å²	65	80.4 Å²	80.4	30%	0.304	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	114.9	168.2	-175.3	175.2	-1.6	0	0	108.8	R608 G635 L636 Y638	Q602-R608 HydrophobicContact CB-CG 4.1Å; Q602-R608 HydrophobicContact CG-CG 4.33Å; Q602-G635 WeakPolarHBondContact O-CA 3.46Å; Q602-L636 HydrophobicContact CB-CB 4.44Å; Q602-L636 PolarHBondContact N-O 2.87Å; Q602-L636 PolarHBondContact O-N 2.89Å; Q602-Y638 HydrophobicContact CB-CE2 3.8Å; Q602-Y638 PolarHBondContact OE1-OH 3.5Å
603	R	89.8	Confident	88.9	Confident	85 Å²	85	85.3 Å²	85.3	32%	0.321	40%	0.403	S	S	.	.			trans	-90.4	160.2	174.2	-62.1	-177.1	176.8	86.3	1.5	109.7	I601 N605 D606 S632	I601-R603 HydrophobicContact CD1-CG 4.12Å; I601-R603 HydrophobicContact CG1-CG 4.34Å; R603-N605 PolarHBondContact O-N 2.88Å; R603-D606 HydrophobicContact CB-CB 4.04Å; R603-D606 PolarHBondContact O-N 2.82Å; R603-S632 PolarHBondContact NE-O 2.91Å; R603-S632 PolarHBondContact NH2-O 2.92Å
604	D	78.5	Confident	89.2	Confident	103 Å²	103	85.4 Å²	85.4	55%	0.551	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	122.8	177	-66.9	-32.2	0	0	0	109.1	D606 R634	D604-D606 VanDerWaalsContact C-N 3.35Å; D604-D606 PolarHBondContact O-N 3.17Å; D604-R634 IonicContact OD2-NE 3.71Å; D604-R634 IonicContact OD2-NH2 3.65Å
605	N	71.9	Confident	89.4	Confident	184 Å²	184	88.1 Å²	88.1	98%	0.984	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	16.1	-173.9	-78	-4.6	0	0	0	118.3	R603	R603-N605 PolarHBondContact O-N 2.88Å
606	D	79.6	Confident	89.7	Confident	52 Å²	52	89.8 Å²	89.8	28%	0.278	42%	0.42	S	S	.	.			trans	-111	155.4	176.8	-159.7	1.9	0	0	0	112.8	R603 D604 K609	R603-D606 HydrophobicContact CB-CB 4.04Å; R603-D606 PolarHBondContact O-N 2.82Å; D604-D606 VanDerWaalsContact C-N 3.35Å; D604-D606 PolarHBondContact O-N 3.17Å; D606-K609 WeakPolarHBondContact OD1-CE 3.06Å; D606-K609 IonicContact OD1-NZ 2.92Å; D606-K609 PolarHBondContact OD1-NZ 3.02Å; D606-K609 WeakPolarHBondContact OD2-CE 3.48Å; D606-K609 IonicContact OD2-NZ 2.74Å; D606-K609 PolarHBondContact OD2-NZ 2.89Å
607	R	86.7	Confident	89.9	Confident	214 Å²	214	86.9 Å²	86.9	81%	0.808	40%	0.399	S	S	*	.			trans	-67.6	153.3	168.9	-70.3	-172.8	179.3	-174.7	1.3	109.5	K609	R607-K609 PolarHBondContact O-N 3.04Å
608	R	89.9	Confident	90	Very high	149 Å²	149	87.9 Å²	87.9	56%	0.562	40%	0.404	S	S	*	.			trans	-58.4	124.8	171	-75.5	-177.6	-174	174.3	1.4	110	I600 Q602 Y638	I600-R608 HydrophobicContact CG2-CB 3.66Å; I600-R608 HydrophobicContact CG2-CG 4.11Å; Q602-R608 HydrophobicContact CB-CG 4.1Å; Q602-R608 HydrophobicContact CG-CG 4.33Å; R608-Y638 HydrophobicContact CG-CE2 4.39Å; R608-Y638 PolarHBondContact NE-OH 2.98Å; R608-Y638 PolarHBondContact NH2-OH 3.15Å
609	K	91.6	Very high	89.9	Confident	105 Å²	105	85.3 Å²	85.3	46%	0.457	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.1	179	-71.3	171.1	-175.8	163	0	110	I600 I601 D606 R607	I600-K609 CarbonylContact C-O 3.5Å; I600-K609 WeakPolarHBondContact CA-O 3.34Å; I600-K609 WeakPolarHBondContact CG2-O 3.45Å; I601-K609 PolarHBondContact N-O 3.28Å; I601-K609 PolarHBondContact O-N 3.17Å; D606-K609 WeakPolarHBondContact OD1-CE 3.06Å; D606-K609 IonicContact OD1-NZ 2.92Å; D606-K609 PolarHBondContact OD1-NZ 3.02Å; D606-K609 WeakPolarHBondContact OD2-CE 3.48Å; D606-K609 IonicContact OD2-NZ 2.74Å; D606-K609 PolarHBondContact OD2-NZ 2.89Å; R607-K609 PolarHBondContact O-N 3.04Å
610	E	92.5	Very high	89.6	Confident	104 Å²	104	87.4 Å²	87.4	49%	0.486	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	139.8	170.8	-178.2	162.6	-143.1	0	0	110.6	R598 K612	R598-E610 IonicContact CZ-OE1 3.3Å; R598-E610 VanDerWaalsContact CZ-OE1 3.3Å; R598-E610 IonicContact CZ-OE2 3.54Å; R598-E610 VanDerWaalsContact NE-CD 3.33Å; R598-E610 IonicContact NE-OE1 2.7Å; R598-E610 PolarHBondContact NE-OE1 3.33Å; R598-E610 IonicContact NE-OE2 3.64Å; R598-E610 IonicContact NH2-OE1 3.26Å; R598-E610 PolarHBondContact NH2-OE1 2.9Å; R598-E610 IonicContact NH2-OE2 2.68Å; R598-E610 PolarHBondContact NH2-OE2 2.88Å; E610-K612 PolarHBondContact O-N 2.9Å
611	V	92.8	Very high	89.1	Confident	16 Å²	16	93.4 Å²	93.4	10%	0.097	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-68.6	123.9	175	177.2	0	0	0	0	108.5	W599 I601 L613 I617 L624 Y637	W599-V611 HydrophobicContact CB-CB 3.96Å; W599-V611 HydrophobicContact CB-CG2 3.73Å; W599-V611 PolarHBondContact O-N 2.86Å; I601-V611 HydrophobicContact CB-CG2 3.98Å; I601-V611 HydrophobicContact CG2-CG2 4.1Å; V611-L613 PolarHBondContact O-N 2.76Å; V611-I617 HydrophobicContact CG1-CG2 3.89Å; V611-L624 HydrophobicContact CG1-CD1 4.26Å; V611-L624 HydrophobicContact CG1-CD2 4.04Å; V611-Y637 HydrophobicContact CG2-CD1 4.05Å; V611-Y637 HydrophobicContact CG2-CE1 4.01Å
612	K	91.9	Very high	88.7	Confident	183 Å²	183	98.5 Å²	98.5	80%	0.796	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-80	117.8	174.7	-65.5	-174.4	177.7	-174	0	109.3	E610	E610-K612 PolarHBondContact O-N 2.9Å
613	L	93.1	Very high	88.7	Confident	103 Å²	103	95.4 Å²	95.4	54%	0.539	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-76.8	143.4	175	-55.1	-179.4	0	0	0	110.4	V611 I617 L624	V611-L613 PolarHBondContact O-N 2.76Å; L613-I617 WeakPolarHBondContact CA-O 3.22Å; L613-I617 HydrophobicContact CD2-CG2 4.28Å; L613-L624 HydrophobicContact CD2-CD1 4.03Å
614	N	92.5	Very high	88.9	Confident	78 Å²	78	91.3 Å²	91.3	42%	0.417	44%	0.437	S	S	.	.			trans	-159.9	-177	176	60.1	24.1	0	0	0	109.6	R616 I617 L618	N614-R616 PolarHBondContact O-N 3.42Å; N614-R616 WeakPolarHBondContact OD1-CA 3.44Å; N614-R616 WeakPolarHBondContact OD1-CB 3.38Å; N614-R616 PolarHBondContact OD1-N 3.06Å; N614-I617 PolarHBondContact N-O 3.11Å; N614-I617 CarbonylContact O-C 3.31Å; N614-I617 VanDerWaalsContact O-C 3.31Å; N614-I617 PolarHBondContact O-N 2.87Å; N614-I617 PolarHBondContact OD1-N 3.41Å; N614-L618 WeakPolarHBondContact O-CD2 3.23Å
615	D	91.1	Very high	89.7	Confident	140 Å²	140	88.9 Å²	88.9	75%	0.749	42%	0.424	S	S	*	.	S	Bend	trans	-58.9	-18.8	-178.7	-61.6	-30.9	0	0	0	114.4	R627	D615-R627 WeakPolarHBondContact O-CD 3.44Å; D615-R627 PolarHBondContact O-NH1 2.88Å
616	R	94.4	Very high	90.8	Very high	46 Å²	46	80.1 Å²	80.1	17%	0.174	38%	0.377	C	S	.	.	S	Bend	trans	-91.9	-36	177	-173.3	178.7	73.1	78.7	-6.2	112.6	N614 R627 S628 D633	N614-R616 PolarHBondContact O-N 3.42Å; N614-R616 WeakPolarHBondContact OD1-CA 3.44Å; N614-R616 WeakPolarHBondContact OD1-CB 3.38Å; N614-R616 PolarHBondContact OD1-N 3.06Å; R616-R627 WeakPolarHBondContact O-CB 3.18Å; R616-R627 PolarHBondContact O-N 3.05Å; R616-S628 VanDerWaalsContact CD-O 3.26Å; R616-S628 WeakPolarHBondContact CD-O 3.34Å; R616-S628 PolarHBondContact NH1-O 3.03Å; R616-D633 IonicContact CZ-OD1 3.65Å; R616-D633 IonicContact CZ-OD2 3.46Å; R616-D633 IonicContact NH1-OD1 3.52Å; R616-D633 IonicContact NH1-OD2 2.66Å; R616-D633 PolarHBondContact NH1-OD2 3.09Å; R616-D633 IonicContact NH2-OD1 2.83Å; R616-D633 PolarHBondContact NH2-OD1 2.86Å; R616-D633 IonicContact NH2-OD2 3.41Å; R616-D633 PolarHBondContact NH2-OD2 2.76Å
617	I	94.1	Very high	91.5	Very high	11 Å²	11	83.7 Å²	83.7	6%	0.056	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	108.9	-176.5	-57.2	178.9	0	0	0	109.2	V611 L613 N614 L624 L625 I626	V611-I617 HydrophobicContact CG1-CG2 3.89Å; L613-I617 WeakPolarHBondContact CA-O 3.22Å; L613-I617 HydrophobicContact CD2-CG2 4.28Å; N614-I617 PolarHBondContact N-O 3.11Å; N614-I617 CarbonylContact O-C 3.31Å; N614-I617 VanDerWaalsContact O-C 3.31Å; N614-I617 PolarHBondContact O-N 2.87Å; N614-I617 PolarHBondContact OD1-N 3.41Å; I617-L624 HydrophobicContact CG2-CD1 3.73Å; I617-L624 HydrophobicContact CG2-CD2 4.11Å; I617-L624 HydrophobicContact CG2-CG 3.97Å; I617-L625 WeakPolarHBondContact CA-O 3.05Å; I617-I626 HydrophobicContact CG1-CG1 4.42Å; I617-I626 HydrophobicContact CG1-CG2 4.37Å; I617-I626 HydrophobicContact CG2-CG1 4.49Å
618	L	93.3	Very high	91.8	Very high	55 Å²	55	75.3 Å²	75.3	29%	0.288	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.1	-177.8	-59.1	177.7	0	0	0	110.6	N614 L625	N614-L618 WeakPolarHBondContact O-CD2 3.23Å; L618-L625 HydrophobicContact CB-CB 4.44Å; L618-L625 PolarHBondContact N-O 2.86Å; L618-L625 PolarHBondContact O-N 2.83Å
619	S	90.5	Very high	92	Very high	52 Å²	52	68.2 Å²	68.2	36%	0.364	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	134.9	167.9	-162.8	0	0	0	0	109
620	T	88.1	Confident	92.1	Very high	53 Å²	53	67.2 Å²	67.2	33%	0.325	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	170.4	172	75.6	0	0	0	0	109.6	F585 H622 G623	F585-T620 HydrophobicContact CE2-CG2 4.44Å; T620-H622 PolarHBondContact O-N 2.98Å; T620-H622 PolarHBondContact OG1-N 2.83Å; T620-G623 PolarHBondContact N-O 2.83Å; T620-G623 PolarHBondContact O-N 2.96Å; T620-G623 PolarHBondContact OG1-N 2.85Å; T620-G623 VanDerWaalsContact OG1-N 3.07Å; T620-G623 PolarHBondContact OG1-O 3.24Å
621	E	82.6	Confident	92	Very high	158 Å²	158	67 Å²	67	74%	0.738	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.4	174.6	-63.1	-174.9	169.8	0	0	113.2	I597	I597-E621 WeakPolarHBondContact CD1-O 3.08Å
622	H	85.9	Confident	91.8	Very high	112 Å²	112	69 Å²	69	52%	0.519	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-1.6	-178.4	-58.6	-58.3	0	0	0	113.4	F585 C588 T620	F585-H622 HydrophobicContact CZ-CB 4.05Å; F585-H622 WeakPolarHBondContact CZ-O 3.5Å; C588-H622 CarbonylContact C-O 3.56Å; C588-H622 VanDerWaalsContact C-O 3.3Å; C588-H622 PolarHBondContact N-O 2.84Å; C588-H622 CarbonylContact O-C 3.49Å; C588-H622 VanDerWaalsContact O-O 3.05Å; T620-H622 PolarHBondContact O-N 2.98Å; T620-H622 PolarHBondContact OG1-N 2.83Å
623	G	91.1	Very high	91.8	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.3	-161.4	-177.6	0	0	0	0	0	116.6	L586 T620	L586-G623 CarbonylContact O-C 3.45Å; L586-G623 WeakPolarHBondContact O-CA 3.26Å; T620-G623 PolarHBondContact N-O 2.83Å; T620-G623 PolarHBondContact O-N 2.96Å; T620-G623 PolarHBondContact OG1-N 2.85Å; T620-G623 VanDerWaalsContact OG1-N 3.07Å; T620-G623 PolarHBondContact OG1-O 3.24Å
624	L	94.7	Very high	91.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.9	176.5	-169.3	76.3	0	0	0	110	F585 L586 W599 V611 L613 I617 I626 Y637	F585-L624 WeakPolarHBondContact CA-O 3.22Å; L586-L624 HydrophobicContact CB-CB 4.21Å; L586-L624 HydrophobicContact CD1-CD2 4.11Å; L586-L624 PolarHBondContact N-O 3.07Å; L586-L624 PolarHBondContact O-N 3.13Å; W599-L624 HydrophobicContact CD2-CB 4.01Å; W599-L624 HydrophobicContact CD2-CD2 4.45Å; W599-L624 HydrophobicContact CG-CB 4.35Å; W599-L624 HydrophobicContact CG-CD1 4.15Å; W599-L624 HydrophobicContact CG-CD2 4.49Å; W599-L624 HydrophobicContact CH2-CB 4.41Å; W599-L624 HydrophobicContact CZ2-CB 3.85Å; V611-L624 HydrophobicContact CG1-CD1 4.26Å; V611-L624 HydrophobicContact CG1-CD2 4.04Å; L613-L624 HydrophobicContact CD2-CD1 4.03Å; I617-L624 HydrophobicContact CG2-CD1 3.73Å; I617-L624 HydrophobicContact CG2-CD2 4.11Å; I617-L624 HydrophobicContact CG2-CG 3.97Å; L624-I626 HydrophobicContact CD2-CD1 4.5Å; L624-I626 HydrophobicContact CD2-CG1 4.4Å; L624-Y637 HydrophobicContact CD2-CD1 3.96Å; L624-Y637 HydrophobicContact CD2-CE1 3.79Å
625	L	95.2	Very high	91.8	Very high	51 Å²	51	57 Å²	57	27%	0.267	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	117.4	175.9	-179.1	64.8	0	0	0	110.6	F585 I617 L618 R627	F585-L625 HydrophobicContact CB-CD1 4.28Å; F585-L625 HydrophobicContact CD2-CB 4.03Å; F585-L625 HydrophobicContact CD2-CD1 4.23Å; I617-L625 WeakPolarHBondContact CA-O 3.05Å; L618-L625 HydrophobicContact CB-CB 4.44Å; L618-L625 PolarHBondContact N-O 2.86Å; L618-L625 PolarHBondContact O-N 2.83Å; L625-R627 HydrophobicContact CD2-CG 4.32Å; L625-R627 HydrophobicContact CG-CG 4.37Å
626	I	95.9	Very high	92	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	102.7	172	-55	174.1	0	0	0	107.3	T583 T584 L586 I617 L624 S628 V629 L655	T583-I626 CarbonylContact C-O 3.6Å; T583-I626 VanDerWaalsContact CA-O 3.31Å; T583-I626 WeakPolarHBondContact CA-O 3.22Å; T584-I626 PolarHBondContact N-O 2.95Å; T584-I626 PolarHBondContact O-N 3.46Å; L586-I626 HydrophobicContact CD1-CD1 4.32Å; I617-I626 HydrophobicContact CG1-CG1 4.42Å; I617-I626 HydrophobicContact CG1-CG2 4.37Å; I617-I626 HydrophobicContact CG2-CG1 4.49Å; L624-I626 HydrophobicContact CD2-CD1 4.5Å; L624-I626 HydrophobicContact CD2-CG1 4.4Å; I626-S628 VanDerWaalsContact C-N 3.33Å; I626-S628 PolarHBondContact O-N 3.03Å; I626-V629 HydrophobicContact CB-CG2 4.18Å; I626-V629 HydrophobicContact CG2-CB 4.44Å; I626-V629 HydrophobicContact CG2-CG2 3.76Å; I626-L655 HydrophobicContact CD1-CD2 3.91Å
627	R	94.4	Very high	92	Very high	128 Å²	128	49 Å²	49	48%	0.483	24%	0.243	S	C	.	.	S	Bend	trans	-66.7	-32	-174.6	-71.4	-179.6	172	167.1	-10.8	113.8	T583 D615 R616 L625	T583-R627 WeakPolarHBondContact CA-O 3.42Å; T583-R627 WeakPolarHBondContact CG2-O 3.44Å; T583-R627 PolarHBondContact N-O 3.42Å; D615-R627 WeakPolarHBondContact O-CD 3.44Å; D615-R627 PolarHBondContact O-NH1 2.88Å; R616-R627 WeakPolarHBondContact O-CB 3.18Å; R616-R627 PolarHBondContact O-N 3.05Å; L625-R627 HydrophobicContact CD2-CG 4.32Å; L625-R627 HydrophobicContact CG-CG 4.37Å
628	S	93.3	Very high	91.9	Very high	38 Å²	38	49.1 Å²	49.1	27%	0.266	24%	0.243	S	C	.	.	S	Bend	trans	-142.2	104.6	177.8	-178.1	0	0	0	0	108.5	N582 R616 I626	N582-S628 WeakPolarHBondContact O-CA 3.46Å; R616-S628 VanDerWaalsContact CD-O 3.26Å; R616-S628 WeakPolarHBondContact CD-O 3.34Å; R616-S628 PolarHBondContact NH1-O 3.03Å; I626-S628 VanDerWaalsContact C-N 3.33Å; I626-S628 PolarHBondContact O-N 3.03Å
629	V	93.8	Very high	91.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.229	C	C	.	.			trans	-74.2	133.6	-175.8	175.8	0	0	0	0	110.9	K580 N581 N582 T584 I626 V657	K580-V629 CarbonylContact C-O 3.6Å; K580-V629 WeakPolarHBondContact CA-O 3.26Å; N581-V629 PolarHBondContact N-O 2.87Å; N582-V629 WeakPolarHBondContact O-CG2 3.36Å; N582-V629 PolarHBondContact O-N 3.11Å; T584-V629 WeakPolarHBondContact OG1-CG2 3.5Å; I626-V629 HydrophobicContact CB-CG2 4.18Å; I626-V629 HydrophobicContact CG2-CB 4.44Å; I626-V629 HydrophobicContact CG2-CG2 3.76Å; V629-V657 HydrophobicContact CG1-CB 4.27Å; V629-V657 HydrophobicContact CG1-CG1 3.72Å; V629-V657 HydrophobicContact CG1-CG2 3.6Å
630	Q	92.8	Very high	91.9	Very high	84 Å²	84	45.5 Å²	45.5	39%	0.393	22%	0.219	S	C	.	.			trans	-117.6	159.1	177	-61.5	-178.3	-3.3	0	0	110.7	S632 D633	Q630-S632 PolarHBondContact O-N 2.87Å; Q630-S632 VanDerWaalsContact O-N 3.12Å; Q630-D633 PolarHBondContact N-OD2 3.31Å; Q630-D633 WeakPolarHBondContact O-CB 3.41Å; Q630-D633 PolarHBondContact O-N 3.3Å
631	Q	89.6	Confident	92	Very high	98 Å²	98	43 Å²	43	46%	0.458	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-58.7	-29.8	179.6	-163.4	63.5	24	0	0	112.8	D633 R634	Q631-D633 PolarHBondContact O-N 3.04Å; Q631-R634 WeakPolarHBondContact O-CB 3.35Å; Q631-R634 PolarHBondContact O-N 3.31Å
632	S	89.6	Confident	92.4	Very high	60 Å²	60	37 Å²	37	42%	0.42	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-68.9	-14.3	175.7	54.6	0	0	0	0	114.6	R603 Q630 R634	R603-S632 PolarHBondContact NE-O 2.91Å; R603-S632 PolarHBondContact NH2-O 2.92Å; Q630-S632 PolarHBondContact O-N 2.87Å; Q630-S632 VanDerWaalsContact O-N 3.12Å; S632-R634 VanDerWaalsContact C-N 3.29Å
633	D	91.9	Very high	92.5	Very high	2 Å²	2	32 Å²	32	1%	0.011	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-84.6	-7.6	177.7	-56.1	-34.3	0	0	0	112	R616 Q630 Q631 G635 Y637 L655	R616-D633 IonicContact CZ-OD1 3.65Å; R616-D633 IonicContact CZ-OD2 3.46Å; R616-D633 IonicContact NH1-OD1 3.52Å; R616-D633 IonicContact NH1-OD2 2.66Å; R616-D633 PolarHBondContact NH1-OD2 3.09Å; R616-D633 IonicContact NH2-OD1 2.83Å; R616-D633 PolarHBondContact NH2-OD1 2.86Å; R616-D633 IonicContact NH2-OD2 3.41Å; R616-D633 PolarHBondContact NH2-OD2 2.76Å; Q630-D633 PolarHBondContact N-OD2 3.31Å; Q630-D633 WeakPolarHBondContact O-CB 3.41Å; Q630-D633 PolarHBondContact O-N 3.3Å; Q631-D633 PolarHBondContact O-N 3.04Å; D633-G635 PolarHBondContact O-N 2.95Å; D633-Y637 WeakPolarHBondContact O-CE2 3.39Å; D633-Y637 PolarHBondContact O-OH 3.29Å; D633-L655 HydrophobicContact CB-CD2 4.35Å
634	R	92.9	Very high	92.3	Very high	108 Å²	108	36.4 Å²	36.4	41%	0.408	18%	0.179	S	C	.	.			trans	-59.2	132.6	171.8	178	-180	165	159.3	-2.8	110.2	D604 Q631 S632 L655 V657	D604-R634 IonicContact OD2-NE 3.71Å; D604-R634 IonicContact OD2-NH2 3.65Å; Q631-R634 WeakPolarHBondContact O-CB 3.35Å; Q631-R634 PolarHBondContact O-N 3.31Å; S632-R634 VanDerWaalsContact C-N 3.29Å; R634-L655 WeakPolarHBondContact CA-O 3.41Å; R634-V657 HydrophobicContact CB-CG2 4.02Å
635	G	93.6	Very high	91.9	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.7	-177	177.2	0	0	0	0	0	112.8	Q602 D633 L655	Q602-G635 WeakPolarHBondContact O-CA 3.46Å; D633-G635 PolarHBondContact O-N 2.95Å; G635-L655 PolarHBondContact N-O 2.86Å; G635-L655 PolarHBondContact O-N 2.93Å
636	L	93.9	Very high	91.5	Very high	15 Å²	15	37.8 Å²	37.8	8%	0.079	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.6	175	-177.5	62	0	0	0	109.7	E573 I601 Q602 Y638 K652 R654	E573-L636 HydrophobicContact CG-CD1 4.03Å; I601-L636 CarbonylContact C-O 3.6Å; Q602-L636 HydrophobicContact CB-CB 4.44Å; Q602-L636 PolarHBondContact N-O 2.87Å; Q602-L636 PolarHBondContact O-N 2.89Å; L636-Y638 HydrophobicContact CB-CE2 4.41Å; L636-Y638 HydrophobicContact CD2-CE1 4.36Å; L636-Y638 HydrophobicContact CD2-CE2 3.97Å; L636-Y638 VanDerWaalsContact CD2-OH 3.27Å; L636-Y638 WeakPolarHBondContact CD2-OH 3.44Å; L636-Y638 HydrophobicContact CG-CE2 3.88Å; L636-K652 HydrophobicContact CD1-CB 4.27Å; L636-R654 HydrophobicContact CD1-CB 4.09Å
637	Y	94.5	Very high	91.1	Very high	3 Å²	3	44.2 Å²	44.2	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	137.9	175.8	-68.6	-103.9	0	0	0	110	L586 W599 I600 I601 V611 L624 D633 K652 I653 L655	L586-Y637 HydrophobicContact CD1-CD1 3.65Å; L586-Y637 HydrophobicContact CD1-CD2 3.76Å; L586-Y637 HydrophobicContact CD1-CE1 3.93Å; L586-Y637 HydrophobicContact CD1-CE2 4.06Å; L586-Y637 HydrophobicContact CD1-CG 3.55Å; W599-Y637 HydrophobicContact CE3-CD1 4.37Å; I600-Y637 CarbonylContact O-C 3.49Å; I600-Y637 WeakPolarHBondContact O-CA 3.29Å; I601-Y637 HydrophobicContact CB-CD1 4.23Å; I601-Y637 HydrophobicContact CB-CE1 4.15Å; I601-Y637 HydrophobicContact CD1-CE1 3.81Å; I601-Y637 HydrophobicContact CD1-CE2 3.76Å; I601-Y637 VanDerWaalsContact CD1-OH 3.32Å; I601-Y637 WeakPolarHBondContact CD1-OH 3.06Å; I601-Y637 HydrophobicContact CG1-CD1 4.32Å; I601-Y637 HydrophobicContact CG1-CD2 4.33Å; I601-Y637 HydrophobicContact CG1-CE1 4.07Å; I601-Y637 HydrophobicContact CG1-CE2 4.06Å; I601-Y637 HydrophobicContact CG1-CG 4.45Å; V611-Y637 HydrophobicContact CG2-CD1 4.05Å; V611-Y637 HydrophobicContact CG2-CE1 4.01Å; L624-Y637 HydrophobicContact CD2-CD1 3.96Å; L624-Y637 HydrophobicContact CD2-CE1 3.79Å; D633-Y637 WeakPolarHBondContact O-CE2 3.39Å; D633-Y637 PolarHBondContact O-OH 3.29Å; Y637-K652 CarbonylContact O-C 3.51Å; Y637-K652 VanDerWaalsContact O-CA 3.3Å; Y637-K652 WeakPolarHBondContact O-CA 3.41Å; Y637-I653 PolarHBondContact N-O 3.44Å; Y637-I653 PolarHBondContact O-N 3.32Å; Y637-L655 HydrophobicContact CD2-CB 4.02Å; Y637-L655 HydrophobicContact CE2-CB 3.76Å; Y637-L655 HydrophobicContact CE2-CD2 3.92Å; Y637-L655 HydrophobicContact CE2-CG 4.49Å
638	Y	93.1	Very high	90.7	Very high	12 Å²	12	39 Å²	39	5%	0.047	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.5	174.1	-60.5	-99.9	0	0	0	107.3	W599 I600 Q602 R608 L636 T649 K652	W599-Y638 WeakPolarHBondContact CA-O 3.18Å; I600-Y638 HydrophobicContact CG2-CD2 4.35Å; I600-Y638 PolarHBondContact N-O 3.07Å; I600-Y638 PolarHBondContact O-N 3.18Å; Q602-Y638 HydrophobicContact CB-CE2 3.8Å; Q602-Y638 PolarHBondContact OE1-OH 3.5Å; R608-Y638 HydrophobicContact CG-CE2 4.39Å; R608-Y638 PolarHBondContact NE-OH 2.98Å; R608-Y638 PolarHBondContact NH2-OH 3.15Å; L636-Y638 HydrophobicContact CB-CE2 4.41Å; L636-Y638 HydrophobicContact CD2-CE1 4.36Å; L636-Y638 HydrophobicContact CD2-CE2 3.97Å; L636-Y638 VanDerWaalsContact CD2-OH 3.27Å; L636-Y638 WeakPolarHBondContact CD2-OH 3.44Å; L636-Y638 HydrophobicContact CG-CE2 3.88Å; Y638-T649 HydrophobicContact CD1-CG2 4.1Å; Y638-K652 HydrophobicContact CD1-CD 4.3Å; Y638-K652 HydrophobicContact CD1-CG 3.87Å; Y638-K652 HydrophobicContact CE1-CD 4Å; Y638-K652 HydrophobicContact CE1-CG 4.05Å
639	C	92.4	Very high	90.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	115.3	167.9	-173.5	0	0	0	0	109.1	C588 I597 W599 T649 V650 A651	C588-C639 HydrophobicContact CB-CB 3.64Å; C588-C639 WeakPolarHBondContact CB-SG 3.46Å; C588-C639 WeakPolarHBondContact SG-CB 2.9Å; C588-C639 CovalentContact SG-SG 2Å; C588-C639 PolarHBondContact SG-SG 2.84Å; I597-C639 WeakPolarHBondContact CG2-SG 3.4Å; W599-C639 HydrophobicContact CD2-CB 4.38Å; W599-C639 HydrophobicContact CE3-CB 4.09Å; W599-C639 HydrophobicContact CH2-CB 3.79Å; W599-C639 HydrophobicContact CZ2-CB 4.05Å; W599-C639 HydrophobicContact CZ3-CB 3.79Å; C639-T649 CarbonylContact O-C 3.47Å; C639-T649 WeakPolarHBondContact O-CA 3.4Å; C639-V650 HydrophobicContact CB-CG2 3.96Å; C639-V650 PolarHBondContact O-N 2.81Å; C639-A651 HydrophobicContact CB-CB 4.01Å; C639-A651 PolarHBondContact N-O 2.93Å
640	L	91.4	Very high	90.2	Very high	31 Å²	31	40.8 Å²	40.8	16%	0.162	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130	176.4	-65	92.5	0	0	0	110	I597 R598 I600 R648	I597-L640 CarbonylContact C-O 3.51Å; I597-L640 WeakPolarHBondContact CA-O 3.36Å; R598-L640 PolarHBondContact N-O 2.72Å; R598-L640 PolarHBondContact O-N 2.8Å; I600-L640 HydrophobicContact CB-CD1 3.99Å; I600-L640 HydrophobicContact CD1-CD1 3.48Å; I600-L640 VanDerWaalsContact CD1-CD1 3.48Å; I600-L640 HydrophobicContact CD1-CD2 4.17Å; I600-L640 HydrophobicContact CG1-CD1 3.65Å; L640-R648 CarbonylContact C-O 3.57Å; L640-R648 WeakPolarHBondContact CA-O 3.24Å
641	T	90.3	Very high	90	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.2	171.3	62.2	0	0	0	0	109.9	P590 S596 I597 K647 R648 V650	P590-T641 HydrophobicContact CB-CG2 3.9Å; S596-T641 CarbonylContact O-C 3.53Å; S596-T641 VanDerWaalsContact O-CA 3.29Å; S596-T641 WeakPolarHBondContact O-CA 3.25Å; I597-T641 HydrophobicContact CG1-CG2 4.47Å; T641-K647 WeakPolarHBondContact O-CA 3.35Å; T641-R648 PolarHBondContact N-O 3.26Å; T641-R648 PolarHBondContact O-N 2.95Å; T641-R648 WeakPolarHBondContact OG1-CG 3.46Å; T641-R648 PolarHBondContact OG1-NE 2.74Å; T641-V650 HydrophobicContact CG2-CB 4.3Å; T641-V650 HydrophobicContact CG2-CG1 3.6Å; T641-V650 HydrophobicContact CG2-CG2 3.67Å; T641-V650 WeakPolarHBondContact OG1-CG1 3.39Å
642	T	89.8	Confident	90.1	Very high	32 Å²	32	34.3 Å²	34.3	20%	0.196	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.7	171.1	-47.6	0	0	0	0	109.5	A595 S596 F646 K647	A595-T642 WeakPolarHBondContact CA-O 3.32Å; S596-T642 PolarHBondContact N-O 3.41Å; S596-T642 PolarHBondContact O-N 2.76Å; S596-T642 PolarHBondContact OG-O 2.93Å; T642-F646 VanDerWaalsContact CA-O 3.29Å; T642-F646 WeakPolarHBondContact CA-O 3.4Å; T642-K647 HydrophobicContact CG2-CG 3.88Å
643	E	89.2	Confident	90.4	Very high	6 Å²	6	31.5 Å²	31.5	3%	0.028	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	124.9	179.8	-174	-176	159	0	0	107.8	R24 L522 A595 G645 F646 R648	R24-E643 IonicContact CZ-OE1 3.1Å; R24-E643 IonicContact NE-OE1 2.73Å; R24-E643 PolarHBondContact NE-OE1 3.27Å; R24-E643 IonicContact NH2-OE1 2.72Å; R24-E643 PolarHBondContact NH2-OE1 3.01Å; L522-E643 HydrophobicContact CD1-CB 4.39Å; L522-E643 HydrophobicContact CD1-CG 4.44Å; L522-E643 HydrophobicContact CD2-CG 4.29Å; A595-E643 HydrophobicContact CB-CB 3.91Å; A595-E643 HydrophobicContact CB-CG 4.36Å; E643-G645 PolarHBondContact O-N 3.33Å; E643-G645 VanDerWaalsContact O-N 3.11Å; E643-F646 PolarHBondContact N-O 3.22Å; E643-F646 WeakPolarHBondContact O-CA 3.31Å; E643-F646 WeakPolarHBondContact O-CB 3.47Å; E643-F646 PolarHBondContact O-N 3.33Å; E643-R648 IonicContact OE2-NH2 2.9Å
644	N	86.1	Confident	90.5	Very high	93 Å²	93	35 Å²	35	50%	0.497	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	42	-177	-166.2	34.5	0	0	0	113.5	L522 H553 G554 F646	L522-N644 HydrophobicContact CD2-CB 3.88Å; H553-N644 PolarHBondContact O-ND2 3.39Å; G554-N644 PolarHBondContact O-ND2 2.97Å; G554-N644 VanDerWaalsContact O-ND2 3.11Å; N644-F646 PolarHBondContact O-N 2.72Å; N644-F646 VanDerWaalsContact O-N 3.15Å
645	G	86	Confident	90.6	Very high	63 Å²	63	29.9 Å²	29.9	65%	0.649	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	-9	-176.6	0	0	0	0	0	115.9	E643	E643-G645 PolarHBondContact O-N 3.33Å; E643-G645 VanDerWaalsContact O-N 3.11Å
646	F	87.6	Confident	90.6	Very high	18 Å²	18	31.8 Å²	31.8	8%	0.079	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	122.9	177.7	-178.7	-102.2	0	0	0	111.7	A518 L522 P556 L557 Y568 T642 E643 N644 R648	A518-F646 HydrophobicContact CB-CD1 4.46Å; A518-F646 HydrophobicContact CB-CE1 3.82Å; A518-F646 HydrophobicContact CB-CZ 3.86Å; L522-F646 HydrophobicContact CD1-CD1 3.91Å; L522-F646 HydrophobicContact CD1-CG 4.49Å; L522-F646 HydrophobicContact CD2-CB 4.26Å; P556-F646 HydrophobicContact CB-CD2 3.84Å; P556-F646 HydrophobicContact CB-CE2 3.84Å; P556-F646 HydrophobicContact CB-CG 4.32Å; P556-F646 HydrophobicContact CB-CZ 4.31Å; P556-F646 HydrophobicContact CG-CB 4.23Å; P556-F646 HydrophobicContact CG-CD1 4.31Å; P556-F646 HydrophobicContact CG-CD2 3.87Å; P556-F646 HydrophobicContact CG-CE2 4.3Å; P556-F646 HydrophobicContact CG-CG 3.87Å; L557-F646 HydrophobicContact CD2-CD2 4.02Å; L557-F646 HydrophobicContact CD2-CE2 3.86Å; L557-F646 HydrophobicContact CG-CD2 4.04Å; L557-F646 HydrophobicContact CG-CE2 4.33Å; Y568-F646 HydrophobicContact CD1-CE1 4.05Å; Y568-F646 AromaticContact CD1-CZ 3.69Å; Y568-F646 HydrophobicContact CD1-CZ 3.69Å; Y568-F646 AromaticContact CE1-CE1 3.72Å; Y568-F646 HydrophobicContact CE1-CE1 3.72Å; Y568-F646 AromaticContact CE1-CZ 3.56Å; Y568-F646 HydrophobicContact CE1-CZ 3.56Å; T642-F646 VanDerWaalsContact CA-O 3.29Å; T642-F646 WeakPolarHBondContact CA-O 3.4Å; E643-F646 PolarHBondContact N-O 3.22Å; E643-F646 WeakPolarHBondContact O-CA 3.31Å; E643-F646 WeakPolarHBondContact O-CB 3.47Å; E643-F646 PolarHBondContact O-N 3.33Å; N644-F646 PolarHBondContact O-N 2.72Å; N644-F646 VanDerWaalsContact O-N 3.15Å; F646-R648 HydrophobicContact CE1-CB 3.93Å; F646-R648 HydrophobicContact CE1-CG 4.33Å
647	K	88.1	Confident	90.5	Very high	134 Å²	134	31.6 Å²	31.6	58%	0.583	17%	0.171	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.1	-179.9	-62.9	-179	-179.9	171.6	0	111.3	T641 T642	T641-K647 WeakPolarHBondContact O-CA 3.35Å; T642-K647 HydrophobicContact CG2-CG 3.88Å
648	R	85.3	Confident	90.3	Very high	20 Å²	20	32.7 Å²	32.7	8%	0.075	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	153.3	172.7	62.1	170.7	172.5	-166.5	-15.4	111.8	D519 Y568 L640 T641 E643 F646 V650	D519-R648 IonicContact OD1-CZ 2.76Å; D519-R648 IonicContact OD1-NH1 3.13Å; D519-R648 PolarHBondContact OD1-NH1 2.88Å; D519-R648 IonicContact OD1-NH2 3.88Å; D519-R648 IonicContact OD2-NH1 2.66Å; Y568-R648 HydrophobicContact CD1-CB 4.34Å; L640-R648 CarbonylContact C-O 3.57Å; L640-R648 WeakPolarHBondContact CA-O 3.24Å; T641-R648 PolarHBondContact N-O 3.26Å; T641-R648 PolarHBondContact O-N 2.95Å; T641-R648 WeakPolarHBondContact OG1-CG 3.46Å; T641-R648 PolarHBondContact OG1-NE 2.74Å; E643-R648 IonicContact OE2-NH2 2.9Å; F646-R648 HydrophobicContact CE1-CB 3.93Å; F646-R648 HydrophobicContact CE1-CG 4.33Å; R648-V650 HydrophobicContact CG-CG1 4.03Å
649	T	88.2	Confident	89.8	Confident	33 Å²	33	34 Å²	34	20%	0.202	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.9	169	-53.9	0	0	0	0	108.5	A571 Y638 C639 K652	A571-T649 HydrophobicContact CB-CG2 4.18Å; Y638-T649 HydrophobicContact CD1-CG2 4.1Å; C639-T649 CarbonylContact O-C 3.47Å; C639-T649 WeakPolarHBondContact O-CA 3.4Å; T649-K652 HydrophobicContact CG2-CG 4.04Å
650	V	87.3	Confident	89	Confident	41 Å²	41	38.4 Å²	38.4	25%	0.248	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-29.8	-179.4	-64.6	0	0	0	0	112.7	C588 C639 T641 R648	C588-V650 WeakPolarHBondContact SG-CG2 3.43Å; C639-V650 HydrophobicContact CB-CG2 3.96Å; C639-V650 PolarHBondContact O-N 2.81Å; T641-V650 HydrophobicContact CG2-CB 4.3Å; T641-V650 HydrophobicContact CG2-CG1 3.6Å; T641-V650 HydrophobicContact CG2-CG2 3.67Å; T641-V650 WeakPolarHBondContact OG1-CG1 3.39Å; R648-V650 HydrophobicContact CG-CG1 4.03Å
651	A	89.4	Confident	88	Confident	12 Å²	12	39.9 Å²	39.9	10%	0.099	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144.8	177.2	0	0	0	0	0	111	C639 I653	C639-A651 HydrophobicContact CB-CB 4.01Å; C639-A651 PolarHBondContact N-O 2.93Å; A651-I653 HydrophobicContact CB-CD1 4.44Å; A651-I653 HydrophobicContact CB-CG1 4.36Å
652	K	92.6	Very high	87.1	Confident	34 Å²	34	44.4 Å²	44.4	15%	0.148	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	117.9	167.8	-68	-179.2	-166	165.1	0	107.8	R569 A571 E573 M574 L636 Y637 Y638 T649	R569-K652 PolarHBondContact O-NZ 3.06Å; A571-K652 HydrophobicContact CB-CG 4.24Å; A571-K652 WeakPolarHBondContact O-CD 3.47Å; E573-K652 CarbonylContact C-O 3.5Å; E573-K652 WeakPolarHBondContact CA-O 3.5Å; E573-K652 HydrophobicContact CB-CB 4.46Å; M574-K652 PolarHBondContact N-O 3.26Å; L636-K652 HydrophobicContact CD1-CB 4.27Å; Y637-K652 CarbonylContact O-C 3.51Å; Y637-K652 VanDerWaalsContact O-CA 3.3Å; Y637-K652 WeakPolarHBondContact O-CA 3.41Å; Y638-K652 HydrophobicContact CD1-CD 4.3Å; Y638-K652 HydrophobicContact CD1-CG 3.87Å; Y638-K652 HydrophobicContact CE1-CD 4Å; Y638-K652 HydrophobicContact CE1-CG 4.05Å; T649-K652 HydrophobicContact CG2-CG 4.04Å
653	I	94.4	Very high	86.2	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	110.7	-172.6	-55	170.1	0	0	0	108.8	M574 Q576 L586 E587 W599 Y637 A651 L655	M574-I653 CarbonylContact O-C 3.47Å; M574-I653 WeakPolarHBondContact O-CA 3.45Å; Q576-I653 HydrophobicContact CB-CG2 3.89Å; L586-I653 HydrophobicContact CB-CD1 3.9Å; L586-I653 HydrophobicContact CD2-CG2 4.15Å; E587-I653 WeakPolarHBondContact O-CD1 2.91Å; W599-I653 HydrophobicContact CH2-CD1 3.83Å; W599-I653 HydrophobicContact CZ3-CD1 4.13Å; Y637-I653 PolarHBondContact N-O 3.44Å; Y637-I653 PolarHBondContact O-N 3.32Å; A651-I653 HydrophobicContact CB-CD1 4.44Å; A651-I653 HydrophobicContact CB-CG1 4.36Å; I653-L655 PolarHBondContact O-N 3.13Å
654	R	94.8	Very high	85.1	Confident	75 Å²	75	47.5 Å²	47.5	28%	0.283	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	105.4	171.7	-173.6	175.3	-63.5	-91.4	-7.4	108.9	E573 M574 Q576 L636 H656	E573-R654 IonicContact OE1-CZ 3.38Å; E573-R654 IonicContact OE1-NE 2.61Å; E573-R654 PolarHBondContact OE1-NE 3.35Å; E573-R654 IonicContact OE1-NH2 2.75Å; E573-R654 PolarHBondContact OE1-NH2 3.28Å; E573-R654 IonicContact OE2-NH2 3.76Å; M574-R654 PolarHBondContact O-N 3.3Å; Q576-R654 PolarHBondContact N-O 3.17Å; L636-R654 HydrophobicContact CD1-CB 4.09Å; R654-H656 WeakPolarHBondContact CD-NE2 3.11Å; R654-H656 WeakPolarHBondContact CG-NE2 3.34Å
655	L	95.1	Very high	84.2	Confident	1 Å²	1	47 Å²	47	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.7	176.4	-178.6	60.7	0	0	0	110.1	Q576 T584 L586 I626 D633 R634 G635 Y637 I653 V657	Q576-L655 CarbonylContact O-C 3.57Å; Q576-L655 WeakPolarHBondContact O-CA 3.37Å; T584-L655 HydrophobicContact CG2-CD1 4.1Å; L586-L655 HydrophobicContact CD2-CD1 4.14Å; L586-L655 HydrophobicContact CD2-CD2 4.39Å; I626-L655 HydrophobicContact CD1-CD2 3.91Å; D633-L655 HydrophobicContact CB-CD2 4.35Å; R634-L655 WeakPolarHBondContact CA-O 3.41Å; G635-L655 PolarHBondContact N-O 2.86Å; G635-L655 PolarHBondContact O-N 2.93Å; Y637-L655 HydrophobicContact CD2-CB 4.02Å; Y637-L655 HydrophobicContact CE2-CB 3.76Å; Y637-L655 HydrophobicContact CE2-CD2 3.92Å; Y637-L655 HydrophobicContact CE2-CG 4.49Å; I653-L655 PolarHBondContact O-N 3.13Å; L655-V657 HydrophobicContact CG-CG2 4.46Å
656	H	93.7	Very high	83.2	Confident	42 Å²	42	48.1 Å²	48.1	19%	0.194	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134	166.4	-71.5	-95.7	0	0	0	109.7	Q576 Y577 G578 R654	Q576-H656 PolarHBondContact O-N 2.99Å; Y577-H656 WeakPolarHBondContact CA-O 3.44Å; Y577-H656 HydrophobicContact CD1-CB 3.59Å; Y577-H656 HydrophobicContact CE1-CB 3.71Å; Y577-H656 AromaticContact CE1-CG 3.99Å; Y577-H656 HydrophobicContact CG-CB 4.48Å; G578-H656 PolarHBondContact N-O 3.34Å; R654-H656 WeakPolarHBondContact CD-NE2 3.11Å; R654-H656 WeakPolarHBondContact CG-NE2 3.34Å
657	V	92.4	Very high	81.9	Confident	10 Å²	10	50.7 Å²	50.7	6%	0.061	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.1	177.2	-177.3	0	0	0	0	108.8	G578 K580 V629 R634 L655	G578-V657 CarbonylContact O-C 3.56Å; G578-V657 WeakPolarHBondContact O-CA 3.45Å; K580-V657 HydrophobicContact CB-CG1 4.4Å; V629-V657 HydrophobicContact CG1-CB 4.27Å; V629-V657 HydrophobicContact CG1-CG1 3.72Å; V629-V657 HydrophobicContact CG1-CG2 3.6Å; R634-V657 HydrophobicContact CB-CG2 4.02Å; L655-V657 HydrophobicContact CG-CG2 4.46Å
658	L	89.6	Confident	80.1	Confident	26 Å²	26	49.9 Å²	49.9	14%	0.136	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134	176.7	-60	177.5	0	0	0	109.4	Y577 G578 K580 M662 V663 L666	Y577-L658 HydrophobicContact CD1-CD1 4.19Å; Y577-L658 HydrophobicContact CD1-CD2 4.19Å; Y577-L658 HydrophobicContact CD1-CG 4.22Å; G578-L658 PolarHBondContact O-N 3.06Å; K580-L658 WeakPolarHBondContact CB-O 3.49Å; K580-L658 PolarHBondContact N-O 3.35Å; L658-M662 HydrophobicContact CD2-SD 4.43Å; L658-V663 HydrophobicContact CB-CG2 3.85Å; L658-V663 HydrophobicContact CD1-CG2 4.31Å; L658-L666 HydrophobicContact CD1-CD1 4.36Å
659	S	82.8	Confident	78.4	Confident	39 Å²	39	57.8 Å²	57.8	27%	0.273	32%	0.324	S	S	.	.			trans	-76.9	156.4	170.1	63.9	0	0	0	0	110.8	A661 M662 V663	S659-A661 PolarHBondContact O-N 2.84Å; S659-A661 VanDerWaalsContact O-N 3.15Å; S659-M662 PolarHBondContact O-N 3.14Å; S659-M662 PolarHBondContact OG-N 3.43Å; S659-V663 PolarHBondContact O-N 2.78Å
660	D	74.4	Confident	76.5	Confident	93 Å²	93	63.7 Å²	63.7	50%	0.497	35%	0.349	S	S	.	.	H	α-helix	trans	-54.9	-34.2	175.1	-64.3	-31	0	0	0	112.2	V663 S664	D660-V663 PolarHBondContact O-N 2.88Å; D660-S664 WeakPolarHBondContact O-CB 3.03Å; D660-S664 PolarHBondContact O-N 2.75Å; D660-S664 PolarHBondContact O-OG 3.47Å
661	A	70.8	Confident	74.3	Confident	62 Å²	62	70 Å²	70	51%	0.512	38%	0.376	S	S	.	.	H	α-helix	trans	-67.7	-36.1	175.4	0	0	0	0	0	113.3	S659 S664 V665	S659-A661 PolarHBondContact O-N 2.84Å; S659-A661 VanDerWaalsContact O-N 3.15Å; A661-S664 WeakPolarHBondContact CA-OG 3.41Å; A661-S664 PolarHBondContact O-OG 3.02Å; A661-V665 WeakPolarHBondContact O-CG2 3.49Å; A661-V665 PolarHBondContact O-N 3.39Å
662	M	71.3	Confident	71.7	Confident	96 Å²	96	73.3 Å²	73.3	47%	0.473	40%	0.404	S	S	.	.	H	α-helix	trans	-72.4	-37.2	174.7	-79.8	178.6	160.5	0	0	111.6	L658 S659 V665 L666	L658-M662 HydrophobicContact CD2-SD 4.43Å; S659-M662 PolarHBondContact O-N 3.14Å; S659-M662 PolarHBondContact OG-N 3.43Å; M662-V665 PolarHBondContact O-N 2.93Å; M662-L666 WeakPolarHBondContact O-CB 3.45Å; M662-L666 VanDerWaalsContact O-CG 3.3Å; M662-L666 WeakPolarHBondContact O-CG 3.25Å; M662-L666 PolarHBondContact O-N 3.19Å
663	V	71.9	Confident	69	Low	48 Å²	48	76.8 Å²	76.8	29%	0.291	43%	0.43	S	S	.	.	H	α-helix	trans	-67.2	-40.8	176.4	178.3	0	0	0	0	110.8	V579 L658 S659 D660 V665 L666 A667	V579-V663 HydrophobicContact CB-CG2 4.42Å; V579-V663 HydrophobicContact CG1-CG2 3.85Å; V579-V663 HydrophobicContact CG2-CG2 3.77Å; L658-V663 HydrophobicContact CB-CG2 3.85Å; L658-V663 HydrophobicContact CD1-CG2 4.31Å; S659-V663 PolarHBondContact O-N 2.78Å; D660-V663 PolarHBondContact O-N 2.88Å; V663-V665 PolarHBondContact O-N 3.43Å; V663-L666 PolarHBondContact O-N 2.95Å; V663-A667 VanDerWaalsContact O-CB 3.26Å; V663-A667 WeakPolarHBondContact O-CB 3.08Å; V663-A667 PolarHBondContact O-N 2.65Å
664	S	65.6	Low	66.5	Low	56 Å²	56	87.6 Å²	87.6	39%	0.392	47%	0.47	S	S	.	.	H	α-helix	trans	-64.4	-38.7	176	67.2	0	0	0	0	112.2	D660 A661 A667 N668	D660-S664 WeakPolarHBondContact O-CB 3.03Å; D660-S664 PolarHBondContact O-N 2.75Å; D660-S664 PolarHBondContact O-OG 3.47Å; A661-S664 WeakPolarHBondContact CA-OG 3.41Å; A661-S664 PolarHBondContact O-OG 3.02Å; S664-A667 PolarHBondContact O-N 3.09Å; S664-N668 WeakPolarHBondContact O-CB 3.46Å; S664-N668 PolarHBondContact O-N 3.45Å
665	V	67.1	Low	63.3	Low	83 Å²	83	88.4 Å²	88.4	50%	0.503	49%	0.493	S	S	.	.	H	α-helix	trans	-67.7	-37.5	174.3	172.6	0	0	0	0	112.4	A661 M662 V663 L683	A661-V665 WeakPolarHBondContact O-CG2 3.49Å; A661-V665 PolarHBondContact O-N 3.39Å; M662-V665 PolarHBondContact O-N 2.93Å; V663-V665 PolarHBondContact O-N 3.43Å; V665-L683 HydrophobicContact CG1-CD1 3.98Å
666	L	65.2	Low	60.6	Low	86 Å²	86	99 Å²	99	45%	0.45	53%	0.533	S	S	.	.	H	α-helix	trans	-70.5	-33.4	175	-74.4	164.9	0	0	0	112.4	L658 M662 V663	L658-L666 HydrophobicContact CD1-CD1 4.36Å; M662-L666 WeakPolarHBondContact O-CB 3.45Å; M662-L666 VanDerWaalsContact O-CG 3.3Å; M662-L666 WeakPolarHBondContact O-CG 3.25Å; M662-L666 PolarHBondContact O-N 3.19Å; V663-L666 PolarHBondContact O-N 2.95Å
667	A	59.7	Low	57.9	Low	72 Å²	72	101.7 Å²	101.7	60%	0.595	56%	0.562	S	S	*	*	H	α-helix	trans	-80	-33.6	178.2	0	0	0	0	0	113.2	V663 S664 K669	V663-A667 VanDerWaalsContact O-CB 3.26Å; V663-A667 WeakPolarHBondContact O-CB 3.08Å; V663-A667 PolarHBondContact O-N 2.65Å; S664-A667 PolarHBondContact O-N 3.09Å; A667-K669 PolarHBondContact O-N 3.01Å; A667-K669 VanDerWaalsContact O-N 3.11Å
668	N	51.3	Low	55.2	Low	116 Å²	116	105.4 Å²	105.4	62%	0.62	59%	0.594	S	S	*	*			trans	-81.7	25.5	-175.9	-88.7	-5.6	0	0	0	115.6	S664 Q670	S664-N668 WeakPolarHBondContact O-CB 3.46Å; S664-N668 PolarHBondContact O-N 3.45Å; N668-Q670 PolarHBondContact O-N 3.26Å; N668-Q670 VanDerWaalsContact O-N 3.08Å
669	K	49.5	Very low	52.6	Low	186 Å²	186	111.2 Å²	111.2	81%	0.809	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	5.6	174.9	-121.3	-175.5	-175.4	-177.8	0	114.7	A667	A667-K669 PolarHBondContact O-N 3.01Å; A667-K669 VanDerWaalsContact O-N 3.11Å
670	Q	46.8	Very low	50.5	Low	157 Å²	157	112.7 Å²	112.7	73%	0.734	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	-11.3	179	-82.9	-175.6	-19.2	0	0	116	N668	N668-Q670 PolarHBondContact O-N 3.26Å; N668-Q670 VanDerWaalsContact O-N 3.08Å
671	Q	42.6	Very low	48.7	Very low	175 Å²	175	116.7 Å²	116.7	82%	0.818	64%	0.642	S	S	*	*	S	Bend	trans	-150.1	92.5	-179.7	-87.7	170.3	-5	0	0	112.4
672	A	33.7	Very low	47.2	Very low	81 Å²	81	116.8 Å²	116.8	67%	0.669	64%	0.643	S	S	*	*			trans	175.3	112.1	142.9	0	0	0	0	0	110.1	W674	A672-W674 VanDerWaalsContact C-N 3.31Å; A672-W674 PolarHBondContact O-N 3.06Å
673	P	37.1	Very low	45.7	Very low	107 Å²	107	116.1 Å²	116.1	70%	0.695	64%	0.641	S	S	*	*	S	Bend	trans	-79.5	-2.1	175.8	-3	19	0	0	0	114.5
674	W	40.6	Very low	44.2	Very low	229 Å²	229	119.8 Å²	119.8	87%	0.867	66%	0.658	S	S	*	*			trans	-143.3	84.2	-174.3	-15.3	-66.3	0	0	0	113.2	A672	A672-W674 VanDerWaalsContact C-N 3.31Å; A672-W674 PolarHBondContact O-N 3.06Å
675	A	28.3	Very low	43.1	Very low	91 Å²	91	121.2 Å²	121.2	75%	0.752	67%	0.673	S	S	*	*			trans	-157.4	59.7	160.1	0	0	0	0	0	110.8	A677	A675-A677 PolarHBondContact O-N 2.8Å
676	W	38.9	Very low	42.1	Very low	225 Å²	225	119.4 Å²	119.4	85%	0.852	67%	0.667	S	S	*	*			trans	-91.7	88.8	166.4	-75.3	90.7	0	0	0	109.3	P680	W676-P680 HydrophobicContact CE3-CG 4.35Å; W676-P680 HydrophobicContact CZ3-CG 3.83Å
677	A	36.5	Very low	41.2	Very low	98 Å²	98	116.8 Å²	116.8	81%	0.81	65%	0.652	S	S	*	*			trans	-168.6	66.9	160	0	0	0	0	0	111.5	A675	A675-A677 PolarHBondContact O-N 2.8Å
678	A	34.7	Very low	41	Very low	88 Å²	88	115.8 Å²	115.8	73%	0.727	64%	0.64	S	S	*	*	S	Bend	trans	169.7	110.5	143.3	0	0	0	0	0	111
679	H	36.1	Very low	41	Very low	147 Å²	147	115.5 Å²	115.5	68%	0.681	65%	0.645	S	S	*	*			trans	66.1	75.4	160.3	-60.9	-65.7	0	0	0	121.1	K681	H679-K681 PolarHBondContact O-N 2.79Å
680	P	37.5	Very low	41	Very low	70 Å²	70	110 Å²	110	46%	0.455	63%	0.634	S	S	.	*	H	α-helix	trans	-65.2	-18.5	157.6	-15.9	30	0	0	0	113.8	W676 A682 L684	W676-P680 HydrophobicContact CE3-CG 4.35Å; W676-P680 HydrophobicContact CZ3-CG 3.83Å; P680-A682 PolarHBondContact O-N 2.91Å; P680-L684 PolarHBondContact O-N 3.01Å
681	K	36.9	Very low	41.1	Very low	178 Å²	178	105.4 Å²	105.4	77%	0.774	61%	0.613	S	S	*	*	H	α-helix	trans	-73	-22.5	-175.7	-71.2	-175.5	177.9	178.5	0	113.9	H679	H679-K681 PolarHBondContact O-N 2.79Å
682	A	39.2	Very low	41.6	Very low	64 Å²	64	99.3 Å²	99.3	53%	0.529	59%	0.586	S	S	.	*	H	α-helix	trans	-82.1	-31.3	-179.7	0	0	0	0	0	113.1	P680	P680-A682 PolarHBondContact O-N 2.91Å
683	L	40.7	Very low	42.6	Very low	82 Å²	82	100.6 Å²	100.6	43%	0.429	58%	0.581	S	S	.	*	H	α-helix	trans	-74.7	-36.7	176.8	-103	152.1	0	0	0	112.3	V665 A685 A686	V665-L683 HydrophobicContact CG1-CD1 3.98Å; L683-A685 VanDerWaalsContact C-N 3.27Å; L683-A685 PolarHBondContact O-N 2.04Å; L683-A686 PolarHBondContact O-N 2.89Å
684	L	40.2	Very low	43.2	Very low	125 Å²	125	98.2 Å²	98.2	65%	0.654	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-16.7	176.2	-75.8	163.5	0	0	0	113.6	P680	P680-L684 PolarHBondContact O-N 3.01Å
685	A	43.4	Very low	43.8	Very low	85 Å²	85	90.8 Å²	90.8	70%	0.702	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.5	177.3	0	0	0	0	0	113.6	L683	L683-A685 VanDerWaalsContact C-N 3.27Å; L683-A685 PolarHBondContact O-N 2.04Å
686	A	46.2	Very low	45.1	Very low	46 Å²	46	92.2 Å²	92.2	38%	0.38	54%	0.541	S	S	.	.	S	Bend	trans	-92.3	-16.2	-174.6	0	0	0	0	0	114.3	L683	L683-A686 PolarHBondContact O-N 2.89Å
687	F	45.4	Very low	45.7	Very low	31 Å²	31	87 Å²	87	14%	0.136	53%	0.526	C	S	.	.	S	Bend	trans	-137.7	137.8	-177	-60.5	-86.8	0	0	0	109.7	Y577 E691	Y577-F687 HydrophobicContact CE1-CD1 4.43Å; Y577-F687 AromaticContact CE1-CE1 3.5Å; Y577-F687 HydrophobicContact CE1-CE1 3.5Å; Y577-F687 VanDerWaalsContact CE1-CE1 3.5Å; Y577-F687 AromaticContact CE1-CZ 3.96Å; Y577-F687 HydrophobicContact CE1-CZ 3.96Å; Y577-F687 HydrophobicContact CE2-CE1 4.29Å; Y577-F687 AromaticContact CZ-CE1 3.39Å; Y577-F687 VanDerWaalsContact OH-CD1 3.3Å; Y577-F687 WeakPolarHBondContact OH-CD1 3.22Å; Y577-F687 WeakPolarHBondContact OH-CE1 3.42Å; F687-E691 HydrophobicContact CB-CB 4.22Å; F687-E691 HydrophobicContact CD1-CB 4.4Å
688	S	55	Low	46.4	Very low	50 Å²	50	89.1 Å²	89.1	35%	0.35	51%	0.514	S	S	.	.			trans	-62.8	157.6	169.6	66.2	0	0	0	0	111.2	A690 E691 N692	S688-A690 PolarHBondContact O-N 3.41Å; S688-A690 VanDerWaalsContact O-N 3.17Å; S688-E691 WeakPolarHBondContact CB-OE2 3.5Å; S688-E691 PolarHBondContact N-OE2 2.98Å; S688-E691 PolarHBondContact O-N 2.69Å; S688-E691 VanDerWaalsContact O-N 3.09Å; S688-E691 VanDerWaalsContact OG-CD 3.22Å; S688-E691 VanDerWaalsContact OG-CG 3.26Å; S688-E691 WeakPolarHBondContact OG-CG 3.17Å; S688-E691 PolarHBondContact OG-N 2.8Å; S688-E691 PolarHBondContact OG-OE2 3.34Å; S688-N692 PolarHBondContact O-N 3.44Å; S688-N692 VanDerWaalsContact O-N 3.07Å
689	P	51.2	Low	47.6	Very low	110 Å²	110	88 Å²	88	71%	0.714	50%	0.501	S	S	*	.	H	α-helix	trans	-54.8	-33.7	176.4	-26.5	34.7	0	0	0	113.6	L693	P689-L693 PolarHBondContact O-N 2.89Å
690	A	49.7	Very low	48.3	Very low	72 Å²	72	87.6 Å²	87.6	60%	0.595	50%	0.497	S	S	*	.	H	α-helix	trans	-70.6	-38.9	177.4	0	0	0	0	0	112.7	S688 L693 A694	S688-A690 PolarHBondContact O-N 3.41Å; S688-A690 VanDerWaalsContact O-N 3.17Å; A690-L693 WeakPolarHBondContact O-CB 3.49Å; A690-L693 PolarHBondContact O-N 3.48Å; A690-A694 PolarHBondContact O-N 3.29Å
691	E	48.7	Very low	49.3	Very low	60 Å²	60	89.6 Å²	89.6	28%	0.28	50%	0.5	S	S	.	.	H	α-helix	trans	-69.8	-36.8	177.4	-72.2	163.2	143.5	0	0	111.9	F687 S688 L693 A694 V695	F687-E691 HydrophobicContact CB-CB 4.22Å; F687-E691 HydrophobicContact CD1-CB 4.4Å; S688-E691 WeakPolarHBondContact CB-OE2 3.5Å; S688-E691 PolarHBondContact N-OE2 2.98Å; S688-E691 PolarHBondContact O-N 2.69Å; S688-E691 VanDerWaalsContact O-N 3.09Å; S688-E691 VanDerWaalsContact OG-CD 3.22Å; S688-E691 VanDerWaalsContact OG-CG 3.26Å; S688-E691 WeakPolarHBondContact OG-CG 3.17Å; S688-E691 PolarHBondContact OG-N 2.8Å; S688-E691 PolarHBondContact OG-OE2 3.34Å; E691-L693 VanDerWaalsContact C-N 3.29Å; E691-L693 PolarHBondContact O-N 3.35Å; E691-A694 PolarHBondContact O-N 3.39Å; E691-V695 WeakPolarHBondContact O-CB 3.41Å; E691-V695 VanDerWaalsContact O-CG2 3.26Å; E691-V695 WeakPolarHBondContact O-CG2 3.15Å; E691-V695 PolarHBondContact O-N 2.52Å
692	N	54	Low	50.1	Low	46 Å²	46	88.6 Å²	88.6	25%	0.246	49%	0.491	C	S	.	.	H	α-helix	trans	-62.7	-36.9	172.4	-86	-47.9	0	0	0	112.2	S688 Q696	S688-N692 PolarHBondContact O-N 3.44Å; S688-N692 VanDerWaalsContact O-N 3.07Å; N692-Q696 WeakPolarHBondContact O-CB 3.38Å; N692-Q696 WeakPolarHBondContact O-CG 3.38Å; N692-Q696 PolarHBondContact O-N 3.05Å
693	L	53.8	Low	51	Low	108 Å²	108	89.7 Å²	89.7	57%	0.565	49%	0.485	S	S	*	.	H	α-helix	trans	-67.4	-44.4	175.4	-106.9	143.9	0	0	0	112	P689 A690 E691 Q696 Q697	P689-L693 PolarHBondContact O-N 2.89Å; A690-L693 WeakPolarHBondContact O-CB 3.49Å; A690-L693 PolarHBondContact O-N 3.48Å; E691-L693 VanDerWaalsContact C-N 3.29Å; E691-L693 PolarHBondContact O-N 3.35Å; L693-Q696 PolarHBondContact O-N 3.29Å; L693-Q697 WeakPolarHBondContact O-CB 3.43Å; L693-Q697 PolarHBondContact O-N 3.49Å
694	A	51	Low	52	Low	57 Å²	57	89.2 Å²	89.2	47%	0.471	48%	0.483	S	S	.	.	H	α-helix	trans	-64.9	-41.7	177.4	0	0	0	0	0	112.5	A690 E691 Q697 Y698	A690-A694 PolarHBondContact O-N 3.29Å; E691-A694 PolarHBondContact O-N 3.39Å; A694-Q697 PolarHBondContact O-N 3.13Å; A694-Y698 WeakPolarHBondContact O-CB 3.3Å; A694-Y698 PolarHBondContact O-N 2.97Å
695	V	53.4	Low	52.8	Low	73 Å²	73	90.3 Å²	90.3	44%	0.442	48%	0.483	S	S	.	.	H	α-helix	trans	-64.4	-42.6	174.8	171.2	0	0	0	0	111	E691 Q697 C699	E691-V695 WeakPolarHBondContact O-CB 3.41Å; E691-V695 VanDerWaalsContact O-CG2 3.26Å; E691-V695 WeakPolarHBondContact O-CG2 3.15Å; E691-V695 PolarHBondContact O-N 2.52Å; V695-Q697 VanDerWaalsContact C-N 3.33Å; V695-Q697 PolarHBondContact O-N 3.2Å; V695-C699 WeakPolarHBondContact O-CB 3.38Å; V695-C699 PolarHBondContact O-N 3.18Å; V695-C699 PolarHBondContact O-SG 3.42Å
696	Q	53.8	Low	53.5	Low	121 Å²	121	91.1 Å²	91.1	57%	0.565	47%	0.472	S	S	*	.	H	α-helix	trans	-63.4	-39.4	175.6	-78.5	-179.8	11.2	0	0	112.2	N692 L693 K700	N692-Q696 WeakPolarHBondContact O-CB 3.38Å; N692-Q696 WeakPolarHBondContact O-CG 3.38Å; N692-Q696 PolarHBondContact O-N 3.05Å; L693-Q696 PolarHBondContact O-N 3.29Å; Q696-K700 VanDerWaalsContact O-CB 3.29Å; Q696-K700 WeakPolarHBondContact O-CB 3.45Å; Q696-K700 PolarHBondContact O-N 3.31Å
697	Q	53.2	Low	54.3	Low	115 Å²	115	94.5 Å²	94.5	54%	0.537	48%	0.479	S	S	.	.	H	α-helix	trans	-69	-43.9	179.6	-165.9	163.8	-10.3	0	0	111.7	L693 A694 V695 K700 E701	L693-Q697 WeakPolarHBondContact O-CB 3.43Å; L693-Q697 PolarHBondContact O-N 3.49Å; A694-Q697 PolarHBondContact O-N 3.13Å; V695-Q697 VanDerWaalsContact C-N 3.33Å; V695-Q697 PolarHBondContact O-N 3.2Å; Q697-K700 PolarHBondContact O-N 2.96Å; Q697-E701 WeakPolarHBondContact O-CG 3.11Å; Q697-E701 PolarHBondContact O-N 3.1Å
698	Y	50.9	Low	55	Low	144 Å²	144	98 Å²	98	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-62.7	-42.8	174.4	-177.6	-100	0	0	0	112.6	A694 K700 R702	A694-Y698 WeakPolarHBondContact O-CB 3.3Å; A694-Y698 PolarHBondContact O-N 2.97Å; Y698-K700 VanDerWaalsContact C-N 3.31Å; Y698-K700 PolarHBondContact O-N 3.35Å; Y698-R702 WeakPolarHBondContact O-CB 3.33Å; Y698-R702 PolarHBondContact O-N 3.47Å
699	C	58.7	Low	55.1	Low	65 Å²	65	101.3 Å²	101.3	44%	0.439	51%	0.508	S	S	.	.	H	α-helix	trans	-64.4	-36.2	175.1	-73.6	0	0	0	0	112.4	V695 Q703	V695-C699 WeakPolarHBondContact O-CB 3.38Å; V695-C699 PolarHBondContact O-N 3.18Å; V695-C699 PolarHBondContact O-SG 3.42Å; C699-Q703 WeakPolarHBondContact O-CG 3.36Å; C699-Q703 PolarHBondContact O-N 2.86Å
700	K	52.2	Low	55.3	Low	138 Å²	138	102 Å²	102	60%	0.6	50%	0.502	S	S	*	.	H	α-helix	trans	-68	-47	177.8	-167.3	178.9	-179.4	-176.1	0	111.5	Q696 Q697 Y698 R702 Q703 D704	Q696-K700 VanDerWaalsContact O-CB 3.29Å; Q696-K700 WeakPolarHBondContact O-CB 3.45Å; Q696-K700 PolarHBondContact O-N 3.31Å; Q697-K700 PolarHBondContact O-N 2.96Å; Y698-K700 VanDerWaalsContact C-N 3.31Å; Y698-K700 PolarHBondContact O-N 3.35Å; K700-R702 VanDerWaalsContact C-N 3.29Å; K700-R702 PolarHBondContact O-N 3.48Å; K700-Q703 PolarHBondContact O-N 3Å; K700-D704 PolarHBondContact O-N 3.29Å
701	E	57.8	Low	55.5	Low	111 Å²	111	107.7 Å²	107.7	52%	0.519	51%	0.508	S	S	.	.	H	α-helix	trans	-59.4	-40.1	175.3	-75.8	175.8	-177.3	0	0	112	Q697 D704 F705	Q697-E701 WeakPolarHBondContact O-CG 3.11Å; Q697-E701 PolarHBondContact O-N 3.1Å; E701-D704 PolarHBondContact O-N 3.24Å; E701-F705 WeakPolarHBondContact O-CB 3.47Å; E701-F705 PolarHBondContact O-N 2.87Å
702	R	54.5	Low	55.7	Low	157 Å²	157	112.2 Å²	112.2	59%	0.592	53%	0.529	S	S	*	.	H	α-helix	trans	-69.6	-36.8	178	-143.9	-173.1	-170.7	-172.9	4.6	112.9	Y698 K700 F705 Q706	Y698-R702 WeakPolarHBondContact O-CB 3.33Å; Y698-R702 PolarHBondContact O-N 3.47Å; K700-R702 VanDerWaalsContact C-N 3.29Å; K700-R702 PolarHBondContact O-N 3.48Å; R702-F705 PolarHBondContact O-N 2.83Å; R702-Q706 WeakPolarHBondContact O-CG 3.46Å; R702-Q706 PolarHBondContact O-N 2.99Å
703	Q	56.8	Low	55.5	Low	87 Å²	87	117.9 Å²	117.9	41%	0.407	55%	0.554	S	S	.	*	H	α-helix	trans	-66.9	-38.5	173.1	-79.9	-176.5	-5.9	0	0	111.8	C699 K700 Q706 K707	C699-Q703 WeakPolarHBondContact O-CG 3.36Å; C699-Q703 PolarHBondContact O-N 2.86Å; K700-Q703 PolarHBondContact O-N 3Å; Q703-Q706 PolarHBondContact O-N 3.28Å; Q703-K707 WeakPolarHBondContact O-CG 3.13Å; Q703-K707 PolarHBondContact O-N 3.36Å
704	D	62.8	Low	55.2	Low	73 Å²	73	120.7 Å²	120.7	39%	0.39	56%	0.564	S	S	.	*	H	α-helix	trans	-68.5	-37.3	176.5	-70.2	-24	0	0	0	111.1	K700 E701 K707 L708	K700-D704 PolarHBondContact O-N 3.29Å; E701-D704 PolarHBondContact O-N 3.24Å; D704-K707 PolarHBondContact O-N 2.68Å; D704-L708 WeakPolarHBondContact O-CB 3.25Å; D704-L708 WeakPolarHBondContact O-CD1 3.4Å; D704-L708 WeakPolarHBondContact O-CG 3.35Å; D704-L708 PolarHBondContact O-N 2.99Å
705	F	55.7	Low	54.7	Low	147 Å²	147	128.8 Å²	128.8	65%	0.645	58%	0.582	S	S	*	*	H	α-helix	trans	-62.7	-41.4	171.1	-120.7	-89.8	0	0	0	113.1	E701 R702 L708 Q709	E701-F705 WeakPolarHBondContact O-CB 3.47Å; E701-F705 PolarHBondContact O-N 2.87Å; R702-F705 PolarHBondContact O-N 2.83Å; F705-L708 WeakPolarHBondContact O-CB 3.27Å; F705-L708 PolarHBondContact O-N 2.84Å; F705-Q709 PolarHBondContact O-N 2.92Å
706	Q	59.5	Low	53.9	Low	103 Å²	103	133.8 Å²	133.8	48%	0.481	60%	0.601	S	S	.	*	H	α-helix	trans	-67.5	-38.1	175.2	-79.4	178.7	-19.8	0	0	112.4	R702 Q703 L708 Q709 Q710	R702-Q706 WeakPolarHBondContact O-CG 3.46Å; R702-Q706 PolarHBondContact O-N 2.99Å; Q703-Q706 PolarHBondContact O-N 3.28Å; Q706-L708 VanDerWaalsContact C-N 3.33Å; Q706-Q709 PolarHBondContact O-N 2.89Å; Q706-Q710 WeakPolarHBondContact O-CG 3.29Å; Q706-Q710 PolarHBondContact O-N 3.04Å
707	K	63.1	Low	53.1	Low	117 Å²	117	133.9 Å²	133.9	51%	0.509	61%	0.612	S	S	.	*	H	α-helix	trans	-65.8	-35.3	173.2	-74.9	173.1	-176.5	170.5	0	112.2	Q703 D704 Q710 R711	Q703-K707 WeakPolarHBondContact O-CG 3.13Å; Q703-K707 PolarHBondContact O-N 3.36Å; D704-K707 PolarHBondContact O-N 2.68Å; K707-Q710 PolarHBondContact O-N 3.16Å; K707-R711 WeakPolarHBondContact O-CB 3.42Å; K707-R711 PolarHBondContact O-N 3.49Å
708	L	60.2	Low	52.4	Low	104 Å²	104	134.9 Å²	134.9	55%	0.545	63%	0.629	S	S	.	*	H	α-helix	trans	-65.9	-41.5	173.2	-82.7	156.1	0	0	0	111.9	D704 F705 Q706 R711 Q712	D704-L708 WeakPolarHBondContact O-CB 3.25Å; D704-L708 WeakPolarHBondContact O-CD1 3.4Å; D704-L708 WeakPolarHBondContact O-CG 3.35Å; D704-L708 PolarHBondContact O-N 2.99Å; F705-L708 WeakPolarHBondContact O-CB 3.27Å; F705-L708 PolarHBondContact O-N 2.84Å; Q706-L708 VanDerWaalsContact C-N 3.33Å; L708-R711 PolarHBondContact O-N 2.91Å; L708-Q712 PolarHBondContact O-N 3.28Å
709	Q	56.7	Low	51.4	Low	120 Å²	120	131.5 Å²	131.5	56%	0.561	64%	0.637	S	S	*	*	H	α-helix	trans	-65.4	-41.2	173.1	-87.5	-178.4	-12.7	0	0	112.9	F705 Q706 R711 Q712 Q713	F705-Q709 PolarHBondContact O-N 2.92Å; Q706-Q709 PolarHBondContact O-N 2.89Å; Q709-R711 VanDerWaalsContact C-N 3.35Å; Q709-R711 PolarHBondContact O-N 2.94Å; Q709-Q712 PolarHBondContact O-N 3.42Å; Q709-Q713 PolarHBondContact O-N 3.19Å
710	Q	54.1	Low	50.7	Low	124 Å²	124	134.1 Å²	134.1	58%	0.579	65%	0.653	S	S	*	*	H	α-helix	trans	-66.7	-34.8	176.2	-77	179	-3.7	0	0	112.5	Q706 K707 Q712 Q713 Q714	Q706-Q710 WeakPolarHBondContact O-CG 3.29Å; Q706-Q710 PolarHBondContact O-N 3.04Å; K707-Q710 PolarHBondContact O-N 3.16Å; Q710-Q712 VanDerWaalsContact C-N 3.31Å; Q710-Q712 PolarHBondContact O-N 3.49Å; Q710-Q713 PolarHBondContact O-N 3.15Å; Q710-Q714 PolarHBondContact O-N 2.77Å
711	R	53.8	Low	49.6	Very low	192 Å²	192	136.1 Å²	136.1	73%	0.725	67%	0.67	S	S	*	*	H	α-helix	trans	-67	-29	172.7	-87.2	-178.2	155.1	-169.1	-5.2	113.4	K707 L708 Q709	K707-R711 WeakPolarHBondContact O-CB 3.42Å; K707-R711 PolarHBondContact O-N 3.49Å; L708-R711 PolarHBondContact O-N 2.91Å; Q709-R711 VanDerWaalsContact C-N 3.35Å; Q709-R711 PolarHBondContact O-N 2.94Å
712	Q	54.8	Low	48.4	Very low	155 Å²	155	142.6 Å²	142.6	72%	0.724	69%	0.689	S	S	*	*	H	α-helix	trans	-74.9	-30.6	173.1	-76.8	-178.6	-1.7	0	0	112.5	L708 Q709 Q710	L708-Q712 PolarHBondContact O-N 3.28Å; Q709-Q712 PolarHBondContact O-N 3.42Å; Q710-Q712 VanDerWaalsContact C-N 3.31Å; Q710-Q712 PolarHBondContact O-N 3.49Å
713	Q	49.8	Very low	47.3	Very low	164 Å²	164	138.2 Å²	138.2	77%	0.766	69%	0.693	S	S	*	*	H	α-helix	trans	-76.2	-19.6	176.5	-78.8	177.9	-2.5	0	0	114.4	Q709 Q710	Q709-Q713 PolarHBondContact O-N 3.19Å; Q710-Q713 PolarHBondContact O-N 3.15Å
714	Q	46	Very low	46.1	Very low	167 Å²	167	141.4 Å²	141.4	78%	0.78	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	2.7	178.8	-77.7	-178.6	-10.5	0	0	115	Q710	Q710-Q714 PolarHBondContact O-N 2.77Å
715	R	42	Very low	44.9	Very low	227 Å²	227	146.6 Å²	146.6	86%	0.857	74%	0.74	S	S	*	*	S	Bend	trans	-104.4	36.1	-179.1	-79.7	-169.7	175	-172.6	-1	114.8
716	Q	36.2	Very low	43.9	Very low	178 Å²	178	143.5 Å²	143.5	83%	0.832	74%	0.742	S	S	*	*			trans	-128.1	127.6	166.6	-75.5	-173.4	-10.4	0	0	110.8
717	P	35.7	Very low	42.7	Very low	124 Å²	124	148 Å²	148	81%	0.805	76%	0.759	S	S	*	*			trans	-84.5	160.8	174.5	35	-32.6	0	0	0	111.6
718	P	39.2	Very low	41.2	Very low	136 Å²	136	150.8 Å²	150.8	88%	0.883	78%	0.779	S	S	*	*			trans	-98.8	140.8	-163.5	35.8	-31.4	0	0	0	115.5
719	G	29.8	Very low	39.7	Very low	72 Å²	72	157.2 Å²	157.2	74%	0.742	80%	0.796	S	S	*	*			trans	110	162.8	139.7	0	0	0	0	0	117.8
720	P	43.9	Very low	38.5	Very low	120 Å²	120	156.2 Å²	156.2	78%	0.779	80%	0.8	S	S	*	*			cis	-124	169.2	-32.7	38.1	-24.3	0	0	0	111.2
721	L	29.2	Very low	37.5	Very low	181 Å²	181	157.2 Å²	157.2	95%	0.948	81%	0.809	S	S	*	*			trans	-177.6	136	134.5	-94.8	158.3	0	0	0	111
722	R	33.7	Very low	36.8	Very low	246 Å²	246	156.7 Å²	156.7	93%	0.928	82%	0.819	S	S	*	*			trans	-100.7	139.9	-175.8	-173.8	-175.5	-171.7	-169.1	2.9	107.5
723	G	31	Very low	35.7	Very low	65 Å²	65	155.2 Å²	155.2	67%	0.67	82%	0.816	S	S	*	*			trans	119.1	94.7	152.7	0	0	0	0	0	117.1
724	D	30.8	Very low	34.7	Very low	154 Å²	154	156.4 Å²	156.4	82%	0.824	81%	0.813	S	S	*	*			trans	50.7	109.2	130.3	-62.9	-28	0	0	0	122.1	A726	D724-A726 PolarHBondContact O-N 3.05Å
725	L	37.1	Very low	33.9	Very low	183 Å²	183	157 Å²	157	96%	0.958	81%	0.808	S	S	*	*			trans	-18.8	89.6	130.3	-85.8	117.9	0	0	0	115.7
726	A	35.6	Very low	33.2	Very low	82 Å²	82	155.3 Å²	155.3	68%	0.678	81%	0.807	S	S	*	*			trans	-153.1	128.4	145.2	0	0	0	0	0	107.8	D724	D724-A726 PolarHBondContact O-N 3.05Å
727	K	34.3	Very low	32.8	Very low	197 Å²	197	152.2 Å²	152.2	86%	0.857	81%	0.805	S	S	*	*			trans	91	78.7	-178.1	-52.9	165.9	177.6	178.8	0	114.9
728	L	31.6	Very low	32.5	Very low	175 Å²	175	157.1 Å²	157.1	92%	0.916	81%	0.808	S	S	*	*			trans	-156.2	49	139.7	-101.6	159.4	0	0	0	110.9
729	R	28.3	Very low	32.1	Very low	240 Å²	240	157.6 Å²	157.6	91%	0.906	80%	0.803	S	S	*	*			trans	-116	106.5	136.3	-86.8	-178.9	174	176.4	-1.7	102.3
730	P	32	Very low	32.1	Very low	99 Å²	99	165.1 Å²	165.1	64%	0.643	81%	0.809	S	S	*	*				-152.6	179.6	68.6	33.2	-9	0	0	0	115
731	L	32.9	Very low	31.5	Very low	145 Å²	145	169.1 Å²	169.1	76%	0.759	81%	0.809	S	S	*	*			trans	83.4	77	159.3	-45.4	174.9	0	0	0	116.5
732	L	39.8	Very low	31.5	Very low	180 Å²	180	167.9 Å²	167.9	94%	0.942	80%	0.803	S	S	*	*				-6.1	69.6	53.5	-79.5	162.8	0	0	0	115.4
733	D	29.8	Very low	31.4	Very low	124 Å²	124	163.1 Å²	163.1	66%	0.663	79%	0.791	S	S	*	*			trans	-174.4	120.5	131.3	-110.9	-33.7	0	0	0	113.4
734	R	29.5	Very low	31.3	Very low	189 Å²	189	167 Å²	167	71%	0.713	80%	0.795	S	S	*	*			trans	47.1	126.5	136	-85.7	178.6	142.1	-172	-0.3	122.4
735	R	28.6	Very low	32.2	Very low	179 Å²	179	164.5 Å²	164.5	68%	0.675	79%	0.788	S	S	*	*				95.7	115.6	129.3	-75.6	176.1	-179.8	-169.4	1.3	120.1
736	K	29.1	Very low	31.8	Very low	192 Å²	192	164.2 Å²	164.2	84%	0.835	78%	0.781	S	S	*	*				77.6	142.3	126.9	-74.6	-171.6	175.3	-174.6	0	121.6
737	S	27.1	Very low	31.9	Very low	113 Å²	113	170.1 Å²	170.1	79%	0.79	81%	0.809	S	S	*	*			trans	92.7	103.6	147.8	-160.9	0	0	0	0	116.6
738	R	29.7	Very low	31.8	Very low	227 Å²	227	168.8 Å²	168.8	86%	0.857	81%	0.807	S	S	*	*				77.8	115.4	79.8	-103.8	-174.8	179.1	-180	0.2	116
739	N	30.5	Very low	31.8	Very low	146 Å²	146	168.5 Å²	168.5	78%	0.781	80%	0.801	S	S	*	*			trans	60	124	136.6	-73.7	-3.5	0	0	0	123.4
740	R	29.8	Very low	32	Very low	231 Å²	231	164.5 Å²	164.5	87%	0.872	80%	0.795	S	S	*	*				172.5	119.2	106.5	-102.1	-178.2	168	176.7	-4.3	109.6
741	R	31.9	Very low	32	Very low	204 Å²	204	168.4 Å²	168.4	77%	0.77	80%	0.804	S	S	*	*				58.1	118.9	97.8	-82.2	-169.5	-177.1	179.1	0.4	115.8
742	N	28.5	Very low	31.9	Very low	155 Å²	155	169.8 Å²	169.8	83%	0.829	81%	0.807	S	S	*	*				-165.3	130.9	107.3	-90.6	-13.1	0	0	0	113.9
743	H	31.2	Very low	31.4	Very low	146 Å²	146	169.1 Å²	169.1	68%	0.676	80%	0.798	S	S	*	*			trans	-37	170	160.2	-78.4	-66	0	0	0	117.6
744	L	29.1	Very low	31.5	Very low	145 Å²	145	172.4 Å²	172.4	76%	0.759	81%	0.807	S	S	*	*			cis	-176.2	-164.3	11.7	-109.6	161	0	0	0	105.6
745	P	49.8	Very low	31.6	Very low	103 Å²	103	171.1 Å²	171.1	67%	0.669	82%	0.815	S	S	*	*			cis	-127	177.3	-16.3	22.6	4.4	0	0	0	111.8
746	E	29.5	Very low	31.9	Very low	176 Å²	176	170.4 Å²	170.4	82%	0.822	83%	0.826	S	S	*	*				-174.2	148.4	71.5	-104.8	-173.3	168	0	0	113.9
747	V	36.4	Very low	32.1	Very low	207 Å²	207	168.5 Å²	168.5	100%	1.255	83%	0.825	S	S	*	*			trans	62.4	0	154.3	-169.1	0	0	0	0	120.1

Retrieved 747 of 747 residues in 134.2 ms (Link to these results)

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