A0A077Z717_TRITR Loading...

Actin-interacting protein 1

AlphaFold DB , UniProt , Accession A0A077Z717, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 603 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	24.1	Very low	26.4	Very low	210 Å²	210	117 Å²	117	100%	1.034	58%	0.578	S	S	*	*				0	91.9	0	-79.6	-179	-170	0	0	107.4	Y3	M1-Y3 HydrophobicContact CB-CE2 4.49Å; M1-Y3 PolarHBondContact O-N 3.45Å
2	E	22.1	Very low	26.7	Very low	178 Å²	178	114.8 Å²	114.8	83%	0.832	56%	0.563	S	S	*	*			trans	-71.8	103	168.3	-72.6	176.4	157.6	0	0	106.9	R4	E2-R4 PolarHBondContact O-N 3.17Å
3	Y	29.2	Very low	26.8	Very low	176 Å²	176	114.1 Å²	114.1	69%	0.69	58%	0.577	S	S	*	*			trans	-69	85.6	164.2	-82.2	-90	0	0	0	106.7	M1 C5	M1-Y3 HydrophobicContact CB-CE2 4.49Å; M1-Y3 PolarHBondContact O-N 3.45Å; Y3-C5 PolarHBondContact O-N 3.06Å
4	R	25.8	Very low	27.1	Very low	210 Å²	210	112 Å²	112	79%	0.792	57%	0.567	S	S	*	*			trans	-45.8	132.6	158.2	-72.8	-179.3	174.4	-175.9	-3.9	106.3	E2 S6	E2-R4 PolarHBondContact O-N 3.17Å; R4-S6 PolarHBondContact O-N 3.08Å
5	C	28.7	Very low	27.5	Very low	51 Å²	51	111.1 Å²	111.1	35%	0.345	57%	0.572	S	S	.	*			trans	-40.9	112.4	167	-90.2	0	0	0	0	107.2	Y3 K7 F27	Y3-C5 PolarHBondContact O-N 3.06Å; C5-K7 PolarHBondContact O-N 2.97Å; C5-F27 HydrophobicContact CB-CD1 4.33Å; C5-F27 HydrophobicContact CB-CE1 4.21Å
6	S	28.3	Very low	28.3	Very low	44 Å²	44	115.1 Å²	115.1	31%	0.308	60%	0.595	S	S	.	*			trans	-65.2	116	-170.4	42.4	0	0	0	0	107.3	R4 A8	R4-S6 PolarHBondContact O-N 3.08Å; S6-A8 PolarHBondContact O-N 3.22Å
7	K	28.1	Very low	29.2	Very low	148 Å²	148	117.8 Å²	117.8	64%	0.643	61%	0.61	S	S	*	*			trans	-57.1	85.2	158	-81.5	-173.2	174.1	-176	0	106.8	C5 L9	C5-K7 PolarHBondContact O-N 2.97Å; K7-L9 PolarHBondContact O-N 3.33Å
8	A	27.8	Very low	30.3	Very low	28 Å²	28	115.6 Å²	115.6	23%	0.231	60%	0.603	C	S	.	*			trans	-82.2	96.7	173.7	0	0	0	0	0	106.6	S6 A10 W61 S63	S6-A8 PolarHBondContact O-N 3.22Å; A8-A10 PolarHBondContact O-N 3.44Å; A8-W61 HydrophobicContact CB-CH2 4.08Å; A8-W61 HydrophobicContact CB-CZ3 3.98Å; A8-S63 VanDerWaalsContact CB-OG 3.25Å; A8-S63 WeakPolarHBondContact CB-OG 3.33Å
9	L	24.2	Very low	31.5	Very low	133 Å²	133	116.6 Å²	116.6	70%	0.696	61%	0.608	S	S	*	*			trans	-53.4	106	172.3	-76.7	159.1	0	0	0	109	K7 S11 A23	K7-L9 PolarHBondContact O-N 3.33Å; L9-S11 VanDerWaalsContact C-N 3.33Å; L9-S11 PolarHBondContact O-N 3.48Å; L9-A23 HydrophobicContact CD2-CB 3.83Å
10	A	25.9	Very low	33	Very low	22 Å²	22	113 Å²	113	18%	0.182	59%	0.591	C	S	.	*			trans	-70	91.9	168.2	0	0	0	0	0	108.9	A8 E24	A8-A10 PolarHBondContact O-N 3.44Å; A10-E24 HydrophobicContact CB-CB 3.75Å
11	S	25.8	Very low	35.2	Very low	87 Å²	87	115 Å²	115	61%	0.608	59%	0.591	S	S	*	*			trans	-82.8	113.9	164	58.9	0	0	0	0	108.6	L9	L9-S11 VanDerWaalsContact C-N 3.33Å; L9-S11 PolarHBondContact O-N 3.48Å
12	F	30.4	Very low	38.1	Very low	91 Å²	91	106.7 Å²	106.7	40%	0.399	55%	0.548	S	S	.	.			trans	-63	134.9	167	-69.8	-90.3	0	0	0	109.4	L14 P20 Y22	F12-L14 HydrophobicContact CB-CD1 4.21Å; F12-L14 HydrophobicContact CB-CG 4.17Å; F12-L14 PolarHBondContact O-N 2.66Å; F12-P20 HydrophobicContact CD2-CB 4.15Å; F12-Y22 HydrophobicContact CD2-CE2 4.49Å; F12-Y22 AromaticContact CE2-CD2 3.8Å; F12-Y22 HydrophobicContact CE2-CD2 3.8Å; F12-Y22 HydrophobicContact CE2-CE1 4.19Å; F12-Y22 AromaticContact CE2-CE2 3.23Å; F12-Y22 HydrophobicContact CE2-CE2 3.23Å; F12-Y22 HydrophobicContact CE2-CG 4.49Å; F12-Y22 AromaticContact CE2-CZ 3.45Å; F12-Y22 VanDerWaalsContact CE2-CZ 3.45Å; F12-Y22 HydrophobicContact CZ-CD2 4.3Å; F12-Y22 HydrophobicContact CZ-CE1 4.37Å; F12-Y22 AromaticContact CZ-CE2 3.3Å; F12-Y22 HydrophobicContact CZ-CE2 3.3Å; F12-Y22 AromaticContact CZ-CZ 3.34Å; F12-Y22 WeakPolarHBondContact CZ-OH 3.32Å
13	S	27.8	Very low	40.8	Very low	105 Å²	105	99.2 Å²	99.2	73%	0.734	52%	0.517	S	S	*	.			trans	-74.6	76.9	166.3	47.5	0	0	0	0	109.1
14	L	30.4	Very low	43.4	Very low	85 Å²	85	92.2 Å²	92.2	45%	0.445	49%	0.491	S	S	.	.			trans	-94.4	151	164.3	-68.6	164.4	0	0	0	108.6	F12 V18	F12-L14 HydrophobicContact CB-CD1 4.21Å; F12-L14 HydrophobicContact CB-CG 4.17Å; F12-L14 PolarHBondContact O-N 2.66Å; L14-V18 HydrophobicContact CB-CB 3.81Å; L14-V18 HydrophobicContact CB-CG1 4.37Å; L14-V18 HydrophobicContact CB-CG2 4.43Å; L14-V18 HydrophobicContact CD1-CB 4.11Å; L14-V18 HydrophobicContact CD1-CG1 3.71Å; L14-V18 HydrophobicContact CG-CB 4.5Å
15	P	33.5	Very low	46.3	Very low	98 Å²	98	83 Å²	83	64%	0.636	46%	0.458	S	S	*	.			trans	-51.7	148.2	176.6	20.5	-31.9	0	0	0	110.6	N17 V18	P15-N17 PolarHBondContact O-N 3.49Å; P15-V18 HydrophobicContact CG-CG2 4.34Å; P15-V18 PolarHBondContact O-N 2.68Å
16	D	41.3	Very low	49	Very low	175 Å²	175	81.2 Å²	81.2	94%	0.936	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	0	-164.3	-68.3	-39	0	0	0	118.2
17	N	43.3	Very low	51.8	Low	161 Å²	161	81.5 Å²	81.5	86%	0.861	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	9.6	179	-74.3	-26.6	0	0	0	115.3	P15	P15-N17 PolarHBondContact O-N 3.49Å
18	V	47.9	Very low	54.6	Low	79 Å²	79	75.4 Å²	75.4	48%	0.479	42%	0.419	S	S	.	.			trans	-114.4	106	177.8	-168.7	0	0	0	0	110.7	L14 P15	L14-V18 HydrophobicContact CB-CB 3.81Å; L14-V18 HydrophobicContact CB-CG1 4.37Å; L14-V18 HydrophobicContact CB-CG2 4.43Å; L14-V18 HydrophobicContact CD1-CB 4.11Å; L14-V18 HydrophobicContact CD1-CG1 3.71Å; L14-V18 HydrophobicContact CG-CB 4.5Å; P15-V18 HydrophobicContact CG-CG2 4.34Å; P15-V18 PolarHBondContact O-N 2.68Å
19	I	52.9	Low	57.5	Low	135 Å²	135	74.1 Å²	74.1	69%	0.692	41%	0.408	S	S	*	.			trans	-65.2	123.4	172.7	-58.7	171.8	0	0	0	107.7	R21	I19-R21 PolarHBondContact O-N 3.04Å
20	P	61.7	Low	60.7	Low	43 Å²	43	68 Å²	68	28%	0.279	38%	0.376	S	S	.	.			trans	-60.6	127.7	178.6	24.1	-32	0	0	0	109.1	F12 Y22	F12-P20 HydrophobicContact CD2-CB 4.15Å; P20-Y22 PolarHBondContact O-N 3.12Å; P20-Y22 VanDerWaalsContact O-N 3.1Å
21	R	80.7	Confident	63.8	Low	155 Å²	155	66.9 Å²	66.9	59%	0.585	37%	0.368	S	S	*	.	S	Bend	trans	-65.6	-12.6	-179.7	-72.7	-166.1	175.9	-166.5	-2.5	113.1	I19 L565 T602	I19-R21 PolarHBondContact O-N 3.04Å; R21-L565 HydrophobicContact CB-CD1 3.89Å; R21-T602 PolarHBondContact O-N 3.31Å
22	Y	83.5	Confident	66.9	Low	36 Å²	36	65.7 Å²	65.7	14%	0.141	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	157.2	177.5	58.6	-85.4	0	0	0	112.7	F12 P20 L565 I567 W599 S600	F12-Y22 HydrophobicContact CD2-CE2 4.49Å; F12-Y22 AromaticContact CE2-CD2 3.8Å; F12-Y22 HydrophobicContact CE2-CD2 3.8Å; F12-Y22 HydrophobicContact CE2-CE1 4.19Å; F12-Y22 AromaticContact CE2-CE2 3.23Å; F12-Y22 HydrophobicContact CE2-CE2 3.23Å; F12-Y22 HydrophobicContact CE2-CG 4.49Å; F12-Y22 AromaticContact CE2-CZ 3.45Å; F12-Y22 VanDerWaalsContact CE2-CZ 3.45Å; F12-Y22 HydrophobicContact CZ-CD2 4.3Å; F12-Y22 HydrophobicContact CZ-CE1 4.37Å; F12-Y22 AromaticContact CZ-CE2 3.3Å; F12-Y22 HydrophobicContact CZ-CE2 3.3Å; F12-Y22 AromaticContact CZ-CZ 3.34Å; F12-Y22 WeakPolarHBondContact CZ-OH 3.32Å; P20-Y22 PolarHBondContact O-N 3.12Å; P20-Y22 VanDerWaalsContact O-N 3.1Å; Y22-L565 HydrophobicContact CD1-CD1 4.37Å; Y22-I567 HydrophobicContact CD1-CD1 4.46Å; Y22-I567 HydrophobicContact CD1-CG1 4.16Å; Y22-I567 HydrophobicContact CD2-CD1 4.42Å; Y22-I567 HydrophobicContact CE1-CG1 4.06Å; Y22-I567 HydrophobicContact CE2-CG2 3.9Å; Y22-I567 HydrophobicContact CG-CD1 4.3Å; Y22-I567 HydrophobicContact CG-CG1 4.46Å; Y22-W599 AromaticContact CD2-CE3 3.88Å; Y22-W599 HydrophobicContact CD2-CE3 3.88Å; Y22-W599 HydrophobicContact CD2-CZ3 4.17Å; Y22-W599 HydrophobicContact CE2-CE3 4.14Å; Y22-W599 AromaticContact CE2-CZ3 3.97Å; Y22-W599 HydrophobicContact CE2-CZ3 3.97Å; Y22-S600 CarbonylContact C-O 3.55Å; Y22-S600 WeakPolarHBondContact CA-O 3.44Å
23	A	79.2	Confident	69.8	Low	21 Å²	21	61.8 Å²	61.8	17%	0.174	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.5	167.2	0	0	0	0	0	109.7	L9 W599 S600	L9-A23 HydrophobicContact CD2-CB 3.83Å; A23-W599 CarbonylContact O-C 3.5Å; A23-W599 WeakPolarHBondContact O-CA 3.36Å; A23-S600 PolarHBondContact N-O 2.88Å; A23-S600 PolarHBondContact O-N 2.78Å
24	E	85.1	Confident	72.8	Confident	29 Å²	29	61.1 Å²	61.1	14%	0.136	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	152	-176.5	-174.2	179.9	-176.6	0	0	111.4	A10 V26 R597 Q598 W599	A10-E24 HydrophobicContact CB-CB 3.75Å; E24-V26 HydrophobicContact CG-CG2 3.9Å; E24-V26 WeakPolarHBondContact OE1-CG2 3.4Å; E24-R597 WeakPolarHBondContact OE1-CD 3.49Å; E24-R597 IonicContact OE1-CZ 3.74Å; E24-R597 IonicContact OE1-NE 3Å; E24-R597 PolarHBondContact OE1-NE 3.21Å; E24-R597 IonicContact OE1-NH1 2.71Å; E24-R597 PolarHBondContact OE1-NH1 2.77Å; E24-R597 IonicContact OE2-NH1 2.72Å; E24-Q598 CarbonylContact C-O 3.5Å; E24-Q598 WeakPolarHBondContact CA-O 3.33Å; E24-W599 HydrophobicContact CB-CE3 4.02Å; E24-W599 HydrophobicContact CB-CZ3 3.92Å; E24-W599 HydrophobicContact CG-CE3 3.97Å; E24-W599 HydrophobicContact CG-CH2 4.03Å; E24-W599 HydrophobicContact CG-CZ3 3.68Å; E24-W599 WeakPolarHBondContact OE1-CH2 3.35Å
25	S	85	Confident	75.6	Confident	16 Å²	16	66.1 Å²	66.1	11%	0.112	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	131.8	161.9	-67	0	0	0	0	108.9	R597 Q598	S25-R597 WeakPolarHBondContact O-CA 3.41Å; S25-Q598 PolarHBondContact N-O 3.23Å; S25-Q598 PolarHBondContact O-N 3.1Å
26	V	86.1	Confident	78.1	Confident	15 Å²	15	63 Å²	63	9%	0.091	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.6	-172.3	-174	0	0	0	0	110.1	E24 R597	E24-V26 HydrophobicContact CG-CG2 3.9Å; E24-V26 WeakPolarHBondContact OE1-CG2 3.4Å; V26-R597 HydrophobicContact CG1-CG 4.39Å; V26-R597 HydrophobicContact CG2-CG 4.34Å
27	F	87.4	Confident	80.3	Confident	49 Å²	49	59 Å²	59	22%	0.215	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	100.2	161.1	-57.7	-98.2	0	0	0	107	C5 F341 L356 V596	C5-F27 HydrophobicContact CB-CD1 4.33Å; C5-F27 HydrophobicContact CB-CE1 4.21Å; F27-F341 HydrophobicContact CD2-CZ 4.11Å; F27-F341 HydrophobicContact CE2-CE1 4.15Å; F27-F341 AromaticContact CE2-CZ 3.6Å; F27-F341 HydrophobicContact CE2-CZ 3.6Å; F27-F341 HydrophobicContact CZ-CE1 4.33Å; F27-F341 AromaticContact CZ-CZ 3.87Å; F27-F341 HydrophobicContact CZ-CZ 3.87Å; F27-L356 HydrophobicContact CE1-CD2 4.14Å; F27-V596 HydrophobicContact CB-CB 4.01Å; F27-V596 HydrophobicContact CD2-CB 4.11Å; F27-V596 HydrophobicContact CD2-CG1 4.34Å; F27-V596 HydrophobicContact CG-CB 4.37Å; F27-V596 PolarHBondContact N-O 2.86Å; F27-V596 PolarHBondContact O-N 2.81Å
28	A	86.1	Confident	82.6	Confident	21 Å²	21	53 Å²	53	17%	0.174	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-63.7	144.9	-177	0	0	0	0	0	111.7
29	A	90.1	Very high	84.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-61.4	142.5	170.7	0	0	0	0	0	110.3	Y52 N54 N59 H325 D593 A594 M595	A29-Y52 WeakPolarHBondContact O-CE2 3.48Å; A29-Y52 PolarHBondContact O-OH 2.75Å; A29-N54 HydrophobicContact CB-CB 4.08Å; A29-N59 PolarHBondContact O-ND2 3.43Å; A29-H325 CarbonylContact C-O 3.59Å; A29-H325 WeakPolarHBondContact CA-O 3.32Å; A29-D593 WeakPolarHBondContact CB-O 3.42Å; A29-A594 HydrophobicContact CB-CB 3.68Å; A29-M595 HydrophobicContact CB-CG 4.33Å
30	L	90.9	Very high	86.6	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.021	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-67.4	160.9	169.6	-72.9	-172.7	0	0	0	111.3	L32 N54 I307 V322 G324 H325	L30-L32 PolarHBondContact O-N 2.76Å; L30-N54 PolarHBondContact O-ND2 2.82Å; L30-I307 HydrophobicContact CD2-CD1 4.15Å; L30-I307 HydrophobicContact CD2-CG1 4.46Å; L30-V322 HydrophobicContact CD2-CG1 4.16Å; L30-G324 WeakPolarHBondContact CD1-O 3.32Å; L30-H325 PolarHBondContact N-O 2.9Å
31	P	91.6	Very high	88.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-51.8	135.4	174.9	-20.3	23.7	0	0	0	112.8	T33 L39 Y52 V301 G305 I307 S326	P31-T33 PolarHBondContact O-N 3.37Å; P31-L39 HydrophobicContact CB-CD2 3.56Å; P31-L39 HydrophobicContact CG-CD2 4.38Å; P31-Y52 HydrophobicContact CB-CD2 3.83Å; P31-Y52 HydrophobicContact CB-CE2 4.44Å; P31-Y52 HydrophobicContact CB-CG 4.14Å; P31-Y52 HydrophobicContact CG-CD1 4.08Å; P31-Y52 HydrophobicContact CG-CD2 3.57Å; P31-Y52 HydrophobicContact CG-CE1 4.43Å; P31-Y52 HydrophobicContact CG-CE2 3.93Å; P31-Y52 HydrophobicContact CG-CG 3.64Å; P31-V301 HydrophobicContact CB-CG1 4.2Å; P31-V301 HydrophobicContact CG-CG1 4.08Å; P31-V301 HydrophobicContact CG-CG2 4.38Å; P31-G305 WeakPolarHBondContact CD-O 3.23Å; P31-I307 HydrophobicContact CG-CD1 4.23Å; P31-I307 HydrophobicContact CG-CG1 4.17Å; P31-S326 WeakPolarHBondContact O-CB 3.34Å
32	L	90.3	Very high	88.7	Confident	62 Å²	62	37.8 Å²	37.8	33%	0.325	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-76.7	116.5	174.4	-177	64.7	0	0	0	109.6	L30 C53 N54 K327	L30-L32 PolarHBondContact O-N 2.76Å; L32-C53 PolarHBondContact N-O 2.95Å; L32-N54 HydrophobicContact CB-CB 4.34Å; L32-K327 HydrophobicContact CD1-CD 4.37Å
33	T	90.8	Very high	89	Confident	9 Å²	9	36.6 Å²	36.6	6%	0.055	20%	0.201	C	C	.	.			trans	-107	151.1	-177.4	52.5	0	0	0	0	111.9	P31 L39 L289 V301 L303	P31-T33 PolarHBondContact O-N 3.37Å; T33-L39 HydrophobicContact CG2-CD2 4.36Å; T33-L289 HydrophobicContact CG2-CD1 3.95Å; T33-V301 HydrophobicContact CG2-CG1 4.11Å; T33-L303 WeakPolarHBondContact CB-O 3.34Å; T33-L303 PolarHBondContact OG1-O 3.24Å
34	T	90.5	Very high	89.5	Confident	90 Å²	90	36.3 Å²	36.3	55%	0.552	20%	0.196	S	C	*	.			trans	-130.4	131.6	172.5	-61	0	0	0	0	108.7	G36 M37	T34-G36 PolarHBondContact O-N 3.33Å; T34-M37 HydrophobicContact CG2-CB 4.42Å; T34-M37 HydrophobicContact CG2-CG 4.1Å; T34-M37 PolarHBondContact O-N 2.68Å
35	R	89.8	Confident	89.6	Confident	190 Å²	190	38.3 Å²	38.3	72%	0.717	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	130.5	179.2	179.4	179	-91.9	-157.5	-2.3	110.3	M37 L303	R35-M37 VanDerWaalsContact C-N 3.27Å; R35-M37 PolarHBondContact O-N 2.95Å; R35-L303 HydrophobicContact CB-CD1 3.93Å; R35-L303 HydrophobicContact CB-CD2 4.39Å; R35-L303 HydrophobicContact CG-CD2 4.37Å
36	G	85.2	Confident	89.6	Confident	33 Å²	33	45.4 Å²	45.4	34%	0.34	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	0.1	175.8	0	0	0	0	0	115.3	T34 Y254	T34-G36 PolarHBondContact O-N 3.33Å; G36-Y254 WeakPolarHBondContact CA-OH 3.5Å; G36-Y254 WeakPolarHBondContact O-CE1 3.48Å
37	M	89.2	Confident	89.6	Confident	90 Å²	90	45.9 Å²	45.9	44%	0.443	25%	0.248	S	C	.	.			trans	-112.5	135.4	178.4	-70.6	-68.9	-177.4	0	0	110.3	T34 R35	T34-M37 HydrophobicContact CG2-CB 4.42Å; T34-M37 HydrophobicContact CG2-CG 4.1Å; T34-M37 PolarHBondContact O-N 2.68Å; R35-M37 VanDerWaalsContact C-N 3.27Å; R35-M37 PolarHBondContact O-N 2.95Å
38	P	90.5	Very high	89.3	Confident	37 Å²	37	51.5 Å²	51.5	24%	0.24	27%	0.273	C	S	.	.			trans	-65.4	151	172.4	30.8	-35.4	0	0	0	110.4	Y254	P38-Y254 HydrophobicContact CB-CD1 4.32Å; P38-Y254 WeakPolarHBondContact CB-O 3.28Å
39	L	92.6	Very high	89.2	Confident	20 Å²	20	52.9 Å²	52.9	11%	0.105	28%	0.277	C	S	.	.			trans	-116.3	139	172.3	170.9	74.8	0	0	0	108.6	P31 T33 I41 L289 A290 V301	P31-L39 HydrophobicContact CB-CD2 3.56Å; P31-L39 HydrophobicContact CG-CD2 4.38Å; T33-L39 HydrophobicContact CG2-CD2 4.36Å; L39-I41 HydrophobicContact CD2-CG2 4.14Å; L39-I41 HydrophobicContact CG-CG2 4.32Å; L39-L289 HydrophobicContact CB-CB 4.31Å; L39-L289 PolarHBondContact N-O 2.9Å; L39-A290 HydrophobicContact CB-CB 4.01Å; L39-A290 HydrophobicContact CD2-CB 4.2Å; L39-A290 HydrophobicContact CG-CB 4.2Å; L39-A290 WeakPolarHBondContact O-CB 3.25Å; L39-V301 HydrophobicContact CD2-CB 4.15Å; L39-V301 HydrophobicContact CD2-CG1 3.79Å; L39-V301 HydrophobicContact CD2-CG2 4.3Å
40	V	92.5	Very high	89.2	Confident	20 Å²	20	54 Å²	54	12%	0.121	28%	0.282	C	S	.	.			trans	-100.4	121.2	176.6	-177	0	0	0	0	109.5	V75	V40-V75 HydrophobicContact CB-CB 4.43Å; V40-V75 HydrophobicContact CB-CG2 3.83Å; V40-V75 HydrophobicContact CG1-CG2 3.63Å; V40-V75 HydrophobicContact CG2-CG2 4.41Å
41	I	93.2	Very high	89.3	Confident	15 Å²	15	53.9 Å²	53.9	8%	0.077	28%	0.281	C	S	.	.			trans	-117.4	154.5	168.4	62.2	170.9	0	0	0	109.3	L39 A290 L292 V301	L39-I41 HydrophobicContact CD2-CG2 4.14Å; L39-I41 HydrophobicContact CG-CG2 4.32Å; I41-A290 HydrophobicContact CD1-CB 4.25Å; I41-A290 HydrophobicContact CG1-CB 4.05Å; I41-A290 HydrophobicContact CG2-CB 4.17Å; I41-L292 HydrophobicContact CD1-CB 3.52Å; I41-L292 HydrophobicContact CG1-CB 3.89Å; I41-V301 HydrophobicContact CD1-CG2 4.11Å; I41-V301 HydrophobicContact CG2-CG2 4.12Å
42	N	93.2	Very high	89.4	Confident	36 Å²	36	54.3 Å²	54.3	19%	0.193	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	145.2	-176.7	-176.3	-117.7	0	0	0	112.1	F50 L51 K77 Y78	N42-F50 CarbonylContact O-C 3.57Å; N42-F50 WeakPolarHBondContact O-CA 3.13Å; N42-F50 WeakPolarHBondContact O-CB 3.43Å; N42-L51 HydrophobicContact CB-CD1 4.2Å; N42-L51 HydrophobicContact CB-CG 4.31Å; N42-L51 PolarHBondContact N-O 2.71Å; N42-L51 PolarHBondContact O-N 3.23Å; N42-K77 HydrophobicContact CB-CD 3.55Å; N42-K77 VanDerWaalsContact CG-CD 3.43Å; N42-K77 WeakPolarHBondContact OD1-CA 3.34Å; N42-Y78 PolarHBondContact OD1-N 2.84Å
43	G	90.3	Very high	89.6	Confident	12 Å²	12	51.6 Å²	51.6	12%	0.124	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	149.5	178.1	0	0	0	0	0	112.1	N49	G43-N49 WeakPolarHBondContact CA-O 3.47Å
44	D	89.6	Confident	89.7	Confident	15 Å²	15	51.7 Å²	51.7	8%	0.08	27%	0.269	C	S	.	.			trans	-64.5	151	166	81.5	-32.4	0	0	0	111.4	K46 G47 K48 N49 Y78 Q294	D44-K46 PolarHBondContact O-N 2.87Å; D44-K46 VanDerWaalsContact O-N 3.08Å; D44-K46 WeakPolarHBondContact OD2-CB 3.41Å; D44-G47 PolarHBondContact O-N 3.39Å; D44-G47 VanDerWaalsContact O-N 3.1Å; D44-G47 WeakPolarHBondContact OD1-CA 3.31Å; D44-G47 PolarHBondContact OD1-N 2.66Å; D44-K48 PolarHBondContact OD1-N 3.26Å; D44-N49 HydrophobicContact CB-CB 4.25Å; D44-N49 PolarHBondContact N-O 2.84Å; D44-N49 PolarHBondContact OD1-N 2.96Å; D44-Y78 VanDerWaalsContact CA-CD2 3.46Å; D44-Y78 HydrophobicContact CB-CD2 3.88Å; D44-Y78 HydrophobicContact CB-CE1 4.32Å; D44-Y78 HydrophobicContact CB-CE2 3.61Å; D44-Y78 HydrophobicContact CB-CG 4.32Å; D44-Q294 VanDerWaalsContact N-NE2 3.13Å; D44-Q294 PolarHBondContact O-NE2 2.77Å; D44-Q294 PolarHBondContact OD1-NE2 2.8Å
45	P	87.3	Confident	89.8	Confident	70 Å²	70	48.4 Å²	48.4	46%	0.455	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.5	179.6	-26.2	35.7	0	0	0	114	S79 P80	P45-S79 VanDerWaalsContact CG-O 3.29Å; P45-S79 WeakPolarHBondContact CG-O 3.36Å; P45-P80 WeakPolarHBondContact CB-O 3.42Å; P45-P80 WeakPolarHBondContact CG-O 3.39Å
46	K	85.5	Confident	89.9	Confident	166 Å²	166	41.2 Å²	41.2	72%	0.722	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-7.4	-179.9	-61.8	176.1	-178.5	169.6	0	113.4	D44 K48	D44-K46 PolarHBondContact O-N 2.87Å; D44-K46 VanDerWaalsContact O-N 3.08Å; D44-K46 WeakPolarHBondContact OD2-CB 3.41Å; K46-K48 VanDerWaalsContact C-N 3.33Å; K46-K48 HydrophobicContact CB-CG 4.36Å; K46-K48 PolarHBondContact O-N 3.09Å
47	G	84.1	Confident	90.2	Very high	25 Å²	25	39.8 Å²	39.8	26%	0.258	21%	0.214	S	C	.	.	S	Bend	trans	79.1	12.2	177.2	0	0	0	0	0	115.1	D44 Q294	D44-G47 PolarHBondContact O-N 3.39Å; D44-G47 VanDerWaalsContact O-N 3.1Å; D44-G47 WeakPolarHBondContact OD1-CA 3.31Å; D44-G47 PolarHBondContact OD1-N 2.66Å; G47-Q294 VanDerWaalsContact CA-NE2 3.26Å
48	K	81.6	Confident	90.2	Very high	167 Å²	167	35.5 Å²	35.5	73%	0.726	19%	0.193	S	C	*	.	S	Bend	trans	-102.9	-32.8	-171.3	-65	-171.6	177.9	-172.9	0	113.3	D44 K46	D44-K48 PolarHBondContact OD1-N 3.26Å; K46-K48 VanDerWaalsContact C-N 3.33Å; K46-K48 HydrophobicContact CB-CG 4.36Å; K46-K48 PolarHBondContact O-N 3.09Å
49	N	84.8	Confident	89.9	Confident	50 Å²	50	33.8 Å²	33.8	27%	0.267	18%	0.182	S	C	.	.			trans	-130.9	160.1	-172.6	-62.8	-40.6	0	0	0	110	G43 D44 Q294	G43-N49 WeakPolarHBondContact CA-O 3.47Å; D44-N49 HydrophobicContact CB-CB 4.25Å; D44-N49 PolarHBondContact N-O 2.84Å; D44-N49 PolarHBondContact OD1-N 2.96Å; N49-Q294 PolarHBondContact O-NE2 3.35Å; N49-Q294 PolarHBondContact O-OE1 2.63Å
50	F	90.2	Very high	88.2	Confident	24 Å²	24	33 Å²	33	11%	0.105	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	159.8	170.7	67.4	-82.8	0	0	0	109	N42 Y52 P60 L292 L299 I307	N42-F50 CarbonylContact O-C 3.57Å; N42-F50 WeakPolarHBondContact O-CA 3.13Å; N42-F50 WeakPolarHBondContact O-CB 3.43Å; F50-Y52 HydrophobicContact CD2-CD1 4.02Å; F50-Y52 HydrophobicContact CD2-CE1 4.41Å; F50-Y52 AromaticContact CE2-CD1 3.71Å; F50-Y52 HydrophobicContact CE2-CD1 3.71Å; F50-Y52 AromaticContact CE2-CE1 3.74Å; F50-Y52 HydrophobicContact CE2-CE1 3.74Å; F50-Y52 HydrophobicContact CZ-CE1 4.47Å; F50-P60 CarbonylContact O-C 3.53Å; F50-L292 HydrophobicContact CB-CD2 3.69Å; F50-L299 HydrophobicContact CB-CD1 4.39Å; F50-L299 HydrophobicContact CD1-CD1 3.65Å; F50-L299 HydrophobicContact CD2-CD1 4.22Å; F50-L299 HydrophobicContact CE1-CD1 3.94Å; F50-L299 HydrophobicContact CE2-CD1 4.46Å; F50-L299 HydrophobicContact CG-CD1 3.81Å; F50-L299 HydrophobicContact CZ-CD1 4.34Å; F50-I307 HydrophobicContact CE2-CD1 3.85Å; F50-I307 HydrophobicContact CZ-CD1 3.91Å; F50-I307 HydrophobicContact CZ-CG2 4.3Å
51	L	92.7	Very high	86.9	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	153.7	-174.3	73.1	70.7	0	0	0	112.2	N42 V58 N59 P60 A76 Y78 I85	N42-L51 HydrophobicContact CB-CD1 4.2Å; N42-L51 HydrophobicContact CB-CG 4.31Å; N42-L51 PolarHBondContact N-O 2.71Å; N42-L51 PolarHBondContact O-N 3.23Å; L51-V58 HydrophobicContact CD1-CG1 4.49Å; L51-N59 VanDerWaalsContact CA-O 3.28Å; L51-N59 WeakPolarHBondContact CA-O 3.25Å; L51-P60 HydrophobicContact CB-CB 4.23Å; L51-A76 VanDerWaalsContact CD1-C 3.49Å; L51-A76 HydrophobicContact CD1-CB 3.41Å; L51-A76 VanDerWaalsContact CD1-CB 3.41Å; L51-A76 WeakPolarHBondContact CD1-O 3.2Å; L51-A76 HydrophobicContact CD2-CB 4.31Å; L51-Y78 HydrophobicContact CB-CE2 4.28Å; L51-Y78 HydrophobicContact CD2-CD2 3.42Å; L51-Y78 VanDerWaalsContact CD2-CD2 3.42Å; L51-Y78 HydrophobicContact CD2-CE2 3.42Å; L51-Y78 VanDerWaalsContact CD2-CE2 3.42Å; L51-Y78 HydrophobicContact CD2-CG 4.18Å; L51-Y78 HydrophobicContact CG-CD2 4.14Å; L51-Y78 HydrophobicContact CG-CE2 4.06Å; L51-I85 HydrophobicContact CD2-CD1 3.54Å; L51-I85 HydrophobicContact CD2-CG1 3.77Å; L51-I85 HydrophobicContact CD2-CG2 4.2Å
52	Y	93.4	Very high	85.4	Confident	9 Å²	9	39 Å²	39	4%	0.035	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	174.3	177.8	57.1	-93.3	0	0	0	110	A29 P31 F50 N59 I307	A29-Y52 WeakPolarHBondContact O-CE2 3.48Å; A29-Y52 PolarHBondContact O-OH 2.75Å; P31-Y52 HydrophobicContact CB-CD2 3.83Å; P31-Y52 HydrophobicContact CB-CE2 4.44Å; P31-Y52 HydrophobicContact CB-CG 4.14Å; P31-Y52 HydrophobicContact CG-CD1 4.08Å; P31-Y52 HydrophobicContact CG-CD2 3.57Å; P31-Y52 HydrophobicContact CG-CE1 4.43Å; P31-Y52 HydrophobicContact CG-CE2 3.93Å; P31-Y52 HydrophobicContact CG-CG 3.64Å; F50-Y52 HydrophobicContact CD2-CD1 4.02Å; F50-Y52 HydrophobicContact CD2-CE1 4.41Å; F50-Y52 AromaticContact CE2-CD1 3.71Å; F50-Y52 HydrophobicContact CE2-CD1 3.71Å; F50-Y52 AromaticContact CE2-CE1 3.74Å; F50-Y52 HydrophobicContact CE2-CE1 3.74Å; F50-Y52 HydrophobicContact CZ-CE1 4.47Å; Y52-N59 HydrophobicContact CD2-CB 4.34Å; Y52-N59 HydrophobicContact CE1-CB 4.38Å; Y52-N59 HydrophobicContact CE2-CB 3.89Å; Y52-N59 WeakPolarHBondContact CE2-ND2 3.39Å; Y52-N59 PolarHBondContact N-O 2.63Å; Y52-N59 PolarHBondContact O-N 2.8Å; Y52-I307 HydrophobicContact CE1-CD1 4.1Å
53	C	94.2	Very high	84	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.034	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.6	-179.4	-56.7	0	0	0	0	111.5	L32 S57 A73	L32-C53 PolarHBondContact N-O 2.95Å; C53-S57 WeakPolarHBondContact CA-O 3.39Å; C53-A73 HydrophobicContact CB-CB 3.96Å; C53-A73 WeakPolarHBondContact CB-O 3.28Å
54	N	93.5	Very high	83.6	Confident	11 Å²	11	39.6 Å²	39.6	6%	0.059	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	130	163	-172.8	-47.5	0	0	0	108.8	A29 L30 L32 N56 S57 S326	A29-N54 HydrophobicContact CB-CB 4.08Å; L30-N54 PolarHBondContact O-ND2 2.82Å; L32-N54 HydrophobicContact CB-CB 4.34Å; N54-N56 PolarHBondContact O-N 3.28Å; N54-S57 PolarHBondContact N-O 2.91Å; N54-S57 WeakPolarHBondContact O-CA 3.38Å; N54-S57 WeakPolarHBondContact O-CB 3.32Å; N54-S57 PolarHBondContact O-N 2.76Å; N54-S326 PolarHBondContact ND2-O 3.22Å
55	G	92.1	Very high	83.4	Confident	22 Å²	22	40 Å²	40	23%	0.227	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-128.4	-178.4	0	0	0	0	0	110.4	S57 P72 A73	G55-S57 VanDerWaalsContact C-N 3.29Å; G55-P72 CarbonylContact O-C 3.51Å; G55-P72 WeakPolarHBondContact O-CA 3.44Å; G55-A73 PolarHBondContact O-N 3.34Å
56	N	92.6	Very high	83.7	Confident	39 Å²	39	36.9 Å²	36.9	21%	0.209	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	7.1	178.7	-71.1	27.9	0	0	0	113.1	N54 T67 H69 S70 P72	N54-N56 PolarHBondContact O-N 3.28Å; N56-T67 HydrophobicContact CB-CG2 4.46Å; N56-H69 WeakPolarHBondContact CB-O 3.47Å; N56-H69 PolarHBondContact ND2-O 3.16Å; N56-S70 PolarHBondContact ND2-O 2.89Å; N56-P72 WeakPolarHBondContact OD1-CA 3.28Å
57	S	92.1	Very high	84	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	150.4	-170.2	-51.8	0	0	0	0	112.6	C53 N54 G55 Y66 T67	C53-S57 WeakPolarHBondContact CA-O 3.39Å; N54-S57 PolarHBondContact N-O 2.91Å; N54-S57 WeakPolarHBondContact O-CA 3.38Å; N54-S57 WeakPolarHBondContact O-CB 3.32Å; N54-S57 PolarHBondContact O-N 2.76Å; G55-S57 VanDerWaalsContact C-N 3.29Å; S57-Y66 CarbonylContact C-O 3.59Å; S57-Y66 WeakPolarHBondContact CA-O 3.28Å; S57-T67 WeakPolarHBondContact CB-OG1 3.46Å; S57-T67 WeakPolarHBondContact OG-CG2 3.47Å; S57-T67 PolarHBondContact OG-OG1 3.34Å
58	V	88.1	Confident	84.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.2	167.8	-177.8	0	0	0	0	108	L51 P60 Y66 A73 A76 W97	L51-V58 HydrophobicContact CD1-CG1 4.49Å; V58-P60 WeakPolarHBondContact O-CD 3.41Å; V58-Y66 HydrophobicContact CB-CD1 4.39Å; V58-Y66 HydrophobicContact CG2-CD1 4.32Å; V58-Y66 PolarHBondContact N-O 2.89Å; V58-Y66 PolarHBondContact O-N 2.87Å; V58-A73 HydrophobicContact CG2-CB 4.13Å; V58-A76 HydrophobicContact CB-CB 4.46Å; V58-A76 HydrophobicContact CG1-CB 3.48Å; V58-A76 VanDerWaalsContact CG1-CB 3.48Å; V58-A76 HydrophobicContact CG2-CB 4.09Å; V58-W97 HydrophobicContact CB-CZ2 4.07Å; V58-W97 HydrophobicContact CG1-CH2 4.43Å; V58-W97 HydrophobicContact CG1-CZ2 3.97Å
59	N	84.8	Confident	85.2	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	89.5	-176.2	-62.9	-21	0	0	0	109.6	A29 L51 Y52 W61	A29-N59 PolarHBondContact O-ND2 3.43Å; L51-N59 VanDerWaalsContact CA-O 3.28Å; L51-N59 WeakPolarHBondContact CA-O 3.25Å; Y52-N59 HydrophobicContact CD2-CB 4.34Å; Y52-N59 HydrophobicContact CE1-CB 4.38Å; Y52-N59 HydrophobicContact CE2-CB 3.89Å; Y52-N59 WeakPolarHBondContact CE2-ND2 3.39Å; Y52-N59 PolarHBondContact N-O 2.63Å; Y52-N59 PolarHBondContact O-N 2.8Å; N59-W61 VanDerWaalsContact C-N 3.32Å
60	P	56.1	Low	85.7	Confident	4 Å²	4	25.7 Å²	25.7	3%	0.026	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-11.4	179.9	30.4	-36.8	0	0	0	115.3	F50 L51 V58 D64 Y78 I85 W97	F50-P60 CarbonylContact O-C 3.53Å; L51-P60 HydrophobicContact CB-CB 4.23Å; V58-P60 WeakPolarHBondContact O-CD 3.41Å; P60-D64 WeakPolarHBondContact CD-O 3.37Å; P60-D64 HydrophobicContact CG-CB 4.27Å; P60-Y78 WeakPolarHBondContact CB-OH 3.04Å; P60-I85 HydrophobicContact CB-CD1 3.81Å; P60-I85 HydrophobicContact CG-CD1 4.49Å; P60-W97 HydrophobicContact CG-CH2 4.1Å
61	W	66.3	Low	85.9	Confident	103 Å²	103	26.4 Å²	26.4	39%	0.39	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	165.7	179.6	-169.7	45.1	0	0	0	110	A8 N59 S63 D64	A8-W61 HydrophobicContact CB-CH2 4.08Å; A8-W61 HydrophobicContact CB-CZ3 3.98Å; N59-W61 VanDerWaalsContact C-N 3.32Å; W61-S63 WeakPolarHBondContact CZ3-OG 3.5Å; W61-S63 PolarHBondContact O-N 3.29Å; W61-D64 HydrophobicContact CB-CB 3.76Å; W61-D64 HydrophobicContact CE3-CB 4.14Å; W61-D64 PolarHBondContact O-N 3.11Å
62	L	60	Low	86	Confident	57 Å²	57	28.4 Å²	28.4	30%	0.298	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.2	179.8	-77.9	162.9	0	0	0	113.5
63	S	65.7	Low	86.1	Confident	18 Å²	18	28.5 Å²	28.5	13%	0.126	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.1	18.7	177.4	63.1	0	0	0	0	114.5	A8 W61	A8-S63 VanDerWaalsContact CB-OG 3.25Å; A8-S63 WeakPolarHBondContact CB-OG 3.33Å; W61-S63 WeakPolarHBondContact CZ3-OG 3.5Å; W61-S63 PolarHBondContact O-N 3.29Å
64	D	80	Confident	86.2	Confident	43 Å²	43	29.9 Å²	29.9	23%	0.23	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.9	172	-159.6	16.5	0	0	0	109.5	P60 W61 H104	P60-D64 WeakPolarHBondContact CD-O 3.37Å; P60-D64 HydrophobicContact CG-CB 4.27Å; W61-D64 HydrophobicContact CB-CB 3.76Å; W61-D64 HydrophobicContact CE3-CB 4.14Å; W61-D64 PolarHBondContact O-N 3.11Å; D64-H104 IonicContact OD1-CE1 3.68Å; D64-H104 IonicContact OD1-NE2 3.36Å; D64-H104 PolarHBondContact OD1-NE2 2.83Å; D64-H104 VanDerWaalsContact OD1-NE2 3.16Å; D64-H104 IonicContact OD2-CE1 2.92Å; D64-H104 PolarHBondContact OD2-CE1 2.97Å; D64-H104 IonicContact OD2-NE2 3.44Å; D64-H104 PolarHBondContact OD2-NE2 2.79Å
65	V	86.5	Confident	86.3	Confident	25 Å²	25	29.4 Å²	29.4	15%	0.152	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	116.8	-168.2	-178.9	0	0	0	0	110.1	T67 M595	V65-T67 WeakPolarHBondContact CG1-OG1 3.26Å; V65-M595 HydrophobicContact CB-CE 4.28Å; V65-M595 HydrophobicContact CG1-CE 3.35Å; V65-M595 HydrophobicContact CG1-SD 4.09Å; V65-M595 HydrophobicContact CG2-CE 3.88Å; V65-M595 HydrophobicContact CG2-SD 4.05Å
66	Y	92.6	Very high	86.5	Confident	4 Å²	4	28.3 Å²	28.3	2%	0.016	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	117.9	170.5	176.8	-105.5	0	0	0	110.5	S57 V58 E68 H69 R95 W97 H104	S57-Y66 CarbonylContact C-O 3.59Å; S57-Y66 WeakPolarHBondContact CA-O 3.28Å; V58-Y66 HydrophobicContact CB-CD1 4.39Å; V58-Y66 HydrophobicContact CG2-CD1 4.32Å; V58-Y66 PolarHBondContact N-O 2.89Å; V58-Y66 PolarHBondContact O-N 2.87Å; Y66-E68 HydrophobicContact CD2-CG 4.21Å; Y66-E68 HydrophobicContact CE1-CB 4.18Å; Y66-E68 HydrophobicContact CE2-CB 3.98Å; Y66-E68 VanDerWaalsContact CE2-CD 3.46Å; Y66-E68 HydrophobicContact CE2-CG 3.54Å; Y66-E68 VanDerWaalsContact CE2-OE2 3.25Å; Y66-E68 WeakPolarHBondContact CE2-OE2 3.37Å; Y66-E68 WeakPolarHBondContact OH-CB 3.38Å; Y66-E68 PolarHBondContact OH-OE2 2.84Å; Y66-H69 AromaticContact CE1-CD2 3.99Å; Y66-R95 PolarHBondContact OH-NE 3.25Å; Y66-R95 PolarHBondContact OH-NH2 3.08Å; Y66-W97 HydrophobicContact CD1-CD2 4.18Å; Y66-W97 AromaticContact CD1-CE2 3.57Å; Y66-W97 HydrophobicContact CD1-CH2 4.46Å; Y66-W97 AromaticContact CD1-CZ2 3.74Å; Y66-W97 HydrophobicContact CD1-CZ2 3.74Å; Y66-W97 AromaticContact CD1-NE1 3.61Å; Y66-W97 AromaticContact CD2-CD2 3.95Å; Y66-W97 HydrophobicContact CD2-CD2 3.95Å; Y66-W97 HydrophobicContact CD2-CE3 4.1Å; Y66-W97 HydrophobicContact CD2-CG 4.29Å; Y66-W97 HydrophobicContact CD2-CZ2 4.49Å; Y66-W97 HydrophobicContact CD2-CZ3 4.42Å; Y66-W97 AromaticContact CE1-CD1 3.62Å; Y66-W97 HydrophobicContact CE1-CD2 4.28Å; Y66-W97 AromaticContact CE1-CE2 3.85Å; Y66-W97 HydrophobicContact CE1-CG 4.14Å; Y66-W97 HydrophobicContact CE1-CZ2 4.46Å; Y66-W97 AromaticContact CE1-NE1 3.44Å; Y66-W97 HydrophobicContact CE2-CB 4.19Å; Y66-W97 HydrophobicContact CE2-CD2 4.05Å; Y66-W97 AromaticContact CE2-CG 3.89Å; Y66-W97 HydrophobicContact CE2-CG 3.89Å; Y66-W97 AromaticContact CG-CD2 3.99Å; Y66-W97 HydrophobicContact CG-CD2 3.99Å; Y66-W97 AromaticContact CG-CE2 3.72Å; Y66-W97 HydrophobicContact CG-CE3 4.26Å; Y66-W97 HydrophobicContact CG-CH2 4.01Å; Y66-W97 AromaticContact CG-CZ2 3.74Å; Y66-W97 HydrophobicContact CG-CZ2 3.74Å; Y66-W97 HydrophobicContact CG-CZ3 4.26Å; Y66-W97 AromaticContact CZ-CD1 3.6Å; Y66-W97 AromaticContact CZ-CG 3.79Å; Y66-W97 AromaticContact CZ-NE1 3.9Å; Y66-H104 HydrophobicContact CD2-CB 3.59Å; Y66-H104 HydrophobicContact CE2-CB 4.02Å
67	T	92.6	Very high	86.7	Confident	16 Å²	16	27 Å²	27	10%	0.098	15%	0.15	C	C	.	.			trans	-132.1	78.9	-179.4	-49.9	0	0	0	0	111.5	N56 S57 V65 T572 M573	N56-T67 HydrophobicContact CB-CG2 4.46Å; S57-T67 WeakPolarHBondContact CB-OG1 3.46Å; S57-T67 WeakPolarHBondContact OG-CG2 3.47Å; S57-T67 PolarHBondContact OG-OG1 3.34Å; V65-T67 WeakPolarHBondContact CG1-OG1 3.26Å; T67-T572 HydrophobicContact CG2-CG2 4.04Å; T67-T572 WeakPolarHBondContact CG2-O 3.37Å; T67-M573 HydrophobicContact CG2-CB 4.12Å; T67-M573 HydrophobicContact CG2-CG 4.25Å; T67-M573 HydrophobicContact CG2-SD 4.14Å
68	E	94.9	Very high	86.8	Confident	79 Å²	79	28.2 Å²	28.2	37%	0.369	15%	0.154	S	C	.	.			trans	-131.4	-0.5	176.1	-55	-170.5	147.4	0	0	113.8	Y66 R95	Y66-E68 HydrophobicContact CD2-CG 4.21Å; Y66-E68 HydrophobicContact CE1-CB 4.18Å; Y66-E68 HydrophobicContact CE2-CB 3.98Å; Y66-E68 VanDerWaalsContact CE2-CD 3.46Å; Y66-E68 HydrophobicContact CE2-CG 3.54Å; Y66-E68 VanDerWaalsContact CE2-OE2 3.25Å; Y66-E68 WeakPolarHBondContact CE2-OE2 3.37Å; Y66-E68 WeakPolarHBondContact OH-CB 3.38Å; Y66-E68 PolarHBondContact OH-OE2 2.84Å; E68-R95 IonicContact OE2-CZ 3.23Å; E68-R95 IonicContact OE2-NE 3.97Å; E68-R95 IonicContact OE2-NH2 2.95Å; E68-R95 PolarHBondContact OE2-NH2 3Å
69	H	96.3	Very high	87.2	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.			trans	-71.5	132.4	171.8	-79.4	-89	0	0	0	110.1	N56 Y66 T71 S87 D89 M573	N56-H69 WeakPolarHBondContact CB-O 3.47Å; N56-H69 PolarHBondContact ND2-O 3.16Å; Y66-H69 AromaticContact CE1-CD2 3.99Å; H69-T71 VanDerWaalsContact C-N 3.28Å; H69-T71 VanDerWaalsContact CB-O 3.3Å; H69-T71 WeakPolarHBondContact CB-O 3.46Å; H69-T71 PolarHBondContact O-N 2.72Å; H69-S87 PolarHBondContact CE1-O 2.95Å; H69-S87 VanDerWaalsContact CE1-O 3.26Å; H69-S87 WeakPolarHBondContact NE2-CB 3.44Å; H69-S87 PolarHBondContact NE2-O 3.48Å; H69-S87 PolarHBondContact NE2-OG 2.78Å; H69-D89 IonicContact CE1-OD2 3.42Å; H69-D89 IonicContact CG-OD2 3.41Å; H69-D89 WeakPolarHBondContact ND1-CB 3.44Å; H69-D89 IonicContact ND1-OD2 2.67Å; H69-D89 PolarHBondContact ND1-OD2 3.38Å; H69-M573 WeakPolarHBondContact O-CE 3.19Å
70	S	94.4	Very high	87.7	Confident	78 Å²	78	30.7 Å²	30.7	55%	0.545	17%	0.17	S	C	.	.	S	Bend	trans	-75.3	-19.7	175.7	56.8	0	0	0	0	113.2	N56	N56-S70 PolarHBondContact ND2-O 2.89Å
71	T	94.9	Very high	89.5	Confident	38 Å²	38	32.8 Å²	32.8	23%	0.233	19%	0.185	C	C	.	.	S	Bend	trans	-126.6	165.8	176.9	68.7	0	0	0	0	109.9	H69 A73 D89 S91	H69-T71 VanDerWaalsContact C-N 3.28Å; H69-T71 VanDerWaalsContact CB-O 3.3Å; H69-T71 WeakPolarHBondContact CB-O 3.46Å; H69-T71 PolarHBondContact O-N 2.72Å; T71-A73 PolarHBondContact O-N 2.71Å; T71-D89 WeakPolarHBondContact OG1-CB 3.47Å; T71-D89 PolarHBondContact OG1-OD1 3.16Å; T71-D89 PolarHBondContact OG1-OD2 3.44Å; T71-S91 PolarHBondContact OG1-N 3.03Å
72	P	95.1	Very high	90.7	Very high	42 Å²	42	28.6 Å²	28.6	27%	0.273	17%	0.174	S	C	.	.			trans	-58.5	127.8	-175.8	-28.1	35.9	0	0	0	113	G55 N56 D89 K90	G55-P72 CarbonylContact O-C 3.51Å; G55-P72 WeakPolarHBondContact O-CA 3.44Å; N56-P72 WeakPolarHBondContact OD1-CA 3.28Å; P72-D89 WeakPolarHBondContact O-CA 3.44Å; P72-D89 WeakPolarHBondContact O-CB 3.19Å; P72-K90 HydrophobicContact CB-CD 3.97Å; P72-K90 HydrophobicContact CB-CG 4.22Å; P72-K90 HydrophobicContact CG-CD 4.08Å; P72-K90 PolarHBondContact O-N 3.08Å
73	A	95.8	Very high	92.3	Very high	11 Å²	11	29.4 Å²	29.4	9%	0.091	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	137.6	173.8	0	0	0	0	0	109.6	C53 G55 V58 T71	C53-A73 HydrophobicContact CB-CB 3.96Å; C53-A73 WeakPolarHBondContact CB-O 3.28Å; G55-A73 PolarHBondContact O-N 3.34Å; V58-A73 HydrophobicContact CG2-CB 4.13Å; T71-A73 PolarHBondContact O-N 2.71Å
74	C	95	Very high	93.8	Very high	35 Å²	35	31 Å²	31	24%	0.236	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	-36.3	-175	-66.8	0	0	0	0	112.4	G88 K90 I117	C74-G88 PolarHBondContact N-O 2.55Å; C74-K90 WeakPolarHBondContact SG-CG 3.29Å; C74-I117 WeakPolarHBondContact CB-O 2.99Å
75	V	96.2	Very high	94.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	148.3	-177.1	57.8	0	0	0	0	109.7	V40 K77 S87 G88 I117 V120	V40-V75 HydrophobicContact CB-CB 4.43Å; V40-V75 HydrophobicContact CB-CG2 3.83Å; V40-V75 HydrophobicContact CG1-CG2 3.63Å; V40-V75 HydrophobicContact CG2-CG2 4.41Å; V75-K77 HydrophobicContact CG2-CG 4.44Å; V75-S87 CarbonylContact O-C 3.41Å; V75-S87 VanDerWaalsContact O-CA 3.29Å; V75-S87 WeakPolarHBondContact O-CA 3.45Å; V75-G88 PolarHBondContact N-O 3.25Å; V75-G88 PolarHBondContact O-N 2.87Å; V75-I117 HydrophobicContact CG1-CG2 3.7Å; V75-V120 HydrophobicContact CG1-CG2 3.76Å
76	A	96.6	Very high	95.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.4	166.6	0	0	0	0	0	109.8	L51 V58 I85 A86	L51-A76 VanDerWaalsContact CD1-C 3.49Å; L51-A76 HydrophobicContact CD1-CB 3.41Å; L51-A76 VanDerWaalsContact CD1-CB 3.41Å; L51-A76 WeakPolarHBondContact CD1-O 3.2Å; L51-A76 HydrophobicContact CD2-CB 4.31Å; V58-A76 HydrophobicContact CB-CB 4.46Å; V58-A76 HydrophobicContact CG1-CB 3.48Å; V58-A76 VanDerWaalsContact CG1-CB 3.48Å; V58-A76 HydrophobicContact CG2-CB 4.09Å; A76-I85 HydrophobicContact CB-CG2 3.9Å; A76-A86 CarbonylContact C-O 3.56Å; A76-A86 VanDerWaalsContact CA-O 3.28Å; A76-A86 WeakPolarHBondContact CA-O 3.48Å
77	K	96.2	Very high	95.4	Very high	12 Å²	12	27.5 Å²	27.5	5%	0.052	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	133.2	178	-62.8	-65.8	175.4	76.9	0	111.1	N42 V75 I85 A86 D119 V120 W122	N42-K77 HydrophobicContact CB-CD 3.55Å; N42-K77 VanDerWaalsContact CG-CD 3.43Å; N42-K77 WeakPolarHBondContact OD1-CA 3.34Å; V75-K77 HydrophobicContact CG2-CG 4.44Å; K77-I85 WeakPolarHBondContact O-CA 3.4Å; K77-A86 PolarHBondContact N-O 3.22Å; K77-A86 PolarHBondContact O-N 3.33Å; K77-D119 WeakPolarHBondContact CE-OD1 3.37Å; K77-D119 IonicContact NZ-OD1 3.45Å; K77-D119 PolarHBondContact NZ-OD1 3.07Å; K77-V120 HydrophobicContact CG-CB 3.96Å; K77-V120 HydrophobicContact CG-CG1 4.4Å; K77-V120 VanDerWaalsContact CG-O 3.3Å; K77-V120 WeakPolarHBondContact CG-O 3.15Å; K77-V120 PolarHBondContact NZ-O 2.84Å; K77-W122 PolarHBondContact O-NE1 3.03Å
78	Y	95.4	Very high	95.6	Very high	27 Å²	27	26.8 Å²	26.8	11%	0.106	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	139.2	166.3	-82.1	-79.1	0	0	0	110.4	N42 D44 L51 P60 I85 T99 W122	N42-Y78 PolarHBondContact OD1-N 2.84Å; D44-Y78 VanDerWaalsContact CA-CD2 3.46Å; D44-Y78 HydrophobicContact CB-CD2 3.88Å; D44-Y78 HydrophobicContact CB-CE1 4.32Å; D44-Y78 HydrophobicContact CB-CE2 3.61Å; D44-Y78 HydrophobicContact CB-CG 4.32Å; L51-Y78 HydrophobicContact CB-CE2 4.28Å; L51-Y78 HydrophobicContact CD2-CD2 3.42Å; L51-Y78 VanDerWaalsContact CD2-CD2 3.42Å; L51-Y78 HydrophobicContact CD2-CE2 3.42Å; L51-Y78 VanDerWaalsContact CD2-CE2 3.42Å; L51-Y78 HydrophobicContact CD2-CG 4.18Å; L51-Y78 HydrophobicContact CG-CD2 4.14Å; L51-Y78 HydrophobicContact CG-CE2 4.06Å; P60-Y78 WeakPolarHBondContact CB-OH 3.04Å; Y78-I85 HydrophobicContact CD1-CD1 4.03Å; Y78-I85 HydrophobicContact CD1-CG1 3.58Å; Y78-I85 HydrophobicContact CD2-CG1 4.42Å; Y78-I85 HydrophobicContact CE1-CD1 3.6Å; Y78-I85 HydrophobicContact CE1-CG1 3.7Å; Y78-I85 HydrophobicContact CE2-CD1 4.22Å; Y78-I85 HydrophobicContact CG-CD1 4.5Å; Y78-I85 HydrophobicContact CG-CG1 3.97Å; Y78-T99 HydrophobicContact CD1-CG2 4.48Å; Y78-T99 HydrophobicContact CE1-CG2 3.99Å; Y78-W122 VanDerWaalsContact O-CD1 3.29Å
79	S	95.9	Very high	95.7	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.141	C	C	.	.			trans	-63.3	149.3	160.8	61.4	0	0	0	0	109.8	P45 S81 G82 Y84 N126	P45-S79 VanDerWaalsContact CG-O 3.29Å; P45-S79 WeakPolarHBondContact CG-O 3.36Å; S79-S81 PolarHBondContact O-N 2.78Å; S79-S81 VanDerWaalsContact O-N 3.12Å; S79-S81 PolarHBondContact OG-OG 2.85Å; S79-G82 WeakPolarHBondContact O-CA 3.24Å; S79-G82 PolarHBondContact O-N 2.86Å; S79-G82 PolarHBondContact OG-N 2.97Å; S79-Y84 WeakPolarHBondContact CB-O 3.5Å; S79-Y84 PolarHBondContact N-O 2.84Å; S79-Y84 PolarHBondContact OG-N 3.04Å; S79-Y84 VanDerWaalsContact OG-N 3.1Å; S79-Y84 PolarHBondContact OG-O 2.99Å; S79-N126 WeakPolarHBondContact CB-OD1 3.36Å
80	P	94.6	Very high	95.7	Very high	52 Å²	52	28.8 Å²	28.8	34%	0.338	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.4	177.4	-28	33.1	0	0	0	114.5	P45 G82 W122 S123 N126	P45-P80 WeakPolarHBondContact CB-O 3.42Å; P45-P80 WeakPolarHBondContact CG-O 3.39Å; P80-G82 VanDerWaalsContact C-N 3.28Å; P80-W122 HydrophobicContact CG-CB 4.17Å; P80-S123 WeakPolarHBondContact CG-O 3.42Å; P80-N126 VanDerWaalsContact CD-OD1 3.23Å; P80-N126 WeakPolarHBondContact CD-OD1 3.24Å
81	S	94.1	Very high	95.8	Very high	48 Å²	48	26.9 Å²	26.9	34%	0.336	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-22.7	173.4	66	0	0	0	0	113.7	S79 N83 N126	S79-S81 PolarHBondContact O-N 2.78Å; S79-S81 VanDerWaalsContact O-N 3.12Å; S79-S81 PolarHBondContact OG-OG 2.85Å; S81-N83 PolarHBondContact O-N 3.12Å; S81-N83 PolarHBondContact OG-N 3.24Å; S81-N126 WeakPolarHBondContact CB-OD1 3.32Å; S81-N126 PolarHBondContact N-OD1 3.02Å; S81-N126 PolarHBondContact OG-OD1 2.71Å
82	G	92.9	Very high	95.9	Very high	16 Å²	16	25 Å²	25	17%	0.165	14%	0.142	C	C	.	.	S	Bend	trans	80.2	-2.7	-176.4	0	0	0	0	0	114.7	S79 P80 T99	S79-G82 WeakPolarHBondContact O-CA 3.24Å; S79-G82 PolarHBondContact O-N 2.86Å; S79-G82 PolarHBondContact OG-N 2.97Å; P80-G82 VanDerWaalsContact C-N 3.28Å; G82-T99 PolarHBondContact O-OG1 2.91Å
83	N	93.5	Very high	96	Very high	74 Å²	74	25.2 Å²	25.2	40%	0.396	14%	0.138	S	C	.	.	S	Bend	trans	-85.2	-18.6	-176	-61.9	-26.2	0	0	0	113.6	S81 D98 T99 T100	S81-N83 PolarHBondContact O-N 3.12Å; S81-N83 PolarHBondContact OG-N 3.24Å; N83-D98 WeakPolarHBondContact O-CA 3.35Å; N83-T99 WeakPolarHBondContact CA-OG1 3.27Å; N83-T99 PolarHBondContact O-N 3.25Å; N83-T99 PolarHBondContact O-OG1 3.42Å; N83-T100 HydrophobicContact CB-CG2 4.2Å
84	Y	95.8	Very high	96.1	Very high	50 Å²	50	24.7 Å²	24.7	20%	0.196	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	150.3	179	-55.9	-72.9	0	0	0	111.3	S79 I96 W97 D98 K107 F145	S79-Y84 WeakPolarHBondContact CB-O 3.5Å; S79-Y84 PolarHBondContact N-O 2.84Å; S79-Y84 PolarHBondContact OG-N 3.04Å; S79-Y84 VanDerWaalsContact OG-N 3.1Å; S79-Y84 PolarHBondContact OG-O 2.99Å; Y84-I96 HydrophobicContact CD1-CG2 4.47Å; Y84-I96 HydrophobicContact CG-CG2 4.37Å; Y84-W97 VanDerWaalsContact CA-O 3.26Å; Y84-W97 WeakPolarHBondContact CA-O 3.25Å; Y84-D98 HydrophobicContact CE1-CB 4.5Å; Y84-K107 HydrophobicContact CD1-CB 4.41Å; Y84-K107 HydrophobicContact CE1-CB 4.18Å; Y84-K107 HydrophobicContact CE1-CD 4.34Å; Y84-K107 HydrophobicContact CE1-CG 3.98Å; Y84-F145 HydrophobicContact CD2-CE1 4.45Å; Y84-F145 HydrophobicContact CD2-CZ 4.28Å; Y84-F145 HydrophobicContact CE2-CE1 4.33Å; Y84-F145 HydrophobicContact CE2-CZ 4.29Å; Y84-F145 HydrophobicContact CG-CZ 4.47Å
85	I	96.6	Very high	96.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.3	162.3	-75.5	161.5	0	0	0	108.3	L51 P60 A76 K77 Y78 I96 W97 T99	L51-I85 HydrophobicContact CD2-CD1 3.54Å; L51-I85 HydrophobicContact CD2-CG1 3.77Å; L51-I85 HydrophobicContact CD2-CG2 4.2Å; P60-I85 HydrophobicContact CB-CD1 3.81Å; P60-I85 HydrophobicContact CG-CD1 4.49Å; A76-I85 HydrophobicContact CB-CG2 3.9Å; K77-I85 WeakPolarHBondContact O-CA 3.4Å; Y78-I85 HydrophobicContact CD1-CD1 4.03Å; Y78-I85 HydrophobicContact CD1-CG1 3.58Å; Y78-I85 HydrophobicContact CD2-CG1 4.42Å; Y78-I85 HydrophobicContact CE1-CD1 3.6Å; Y78-I85 HydrophobicContact CE1-CG1 3.7Å; Y78-I85 HydrophobicContact CE2-CD1 4.22Å; Y78-I85 HydrophobicContact CG-CD1 4.5Å; Y78-I85 HydrophobicContact CG-CG1 3.97Å; I85-I96 VanDerWaalsContact O-CA 3.29Å; I85-I96 WeakPolarHBondContact O-CA 3.49Å; I85-W97 HydrophobicContact CB-CD2 4.15Å; I85-W97 HydrophobicContact CB-CE3 4.41Å; I85-W97 HydrophobicContact CB-CH2 3.96Å; I85-W97 HydrophobicContact CB-CZ2 3.62Å; I85-W97 HydrophobicContact CB-CZ3 4.33Å; I85-W97 HydrophobicContact CD1-CH2 3.32Å; I85-W97 HydrophobicContact CD1-CZ2 3.79Å; I85-W97 HydrophobicContact CD1-CZ3 3.81Å; I85-W97 HydrophobicContact CG1-CH2 4.23Å; I85-W97 HydrophobicContact CG1-CZ2 4.32Å; I85-W97 HydrophobicContact CG2-CH2 4.11Å; I85-W97 HydrophobicContact CG2-CZ2 3.38Å; I85-W97 PolarHBondContact N-O 3.25Å; I85-W97 PolarHBondContact O-N 3.44Å; I85-T99 HydrophobicContact CB-CG2 4.11Å; I85-T99 HydrophobicContact CD1-CG2 3.5Å; I85-T99 VanDerWaalsContact CD1-CG2 3.5Å; I85-T99 HydrophobicContact CG1-CG2 3.57Å
86	A	97.9	Very high	96.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.8	163.5	0	0	0	0	0	109.1	A76 K77 L94 R95 I96 V120 W122 I129	A76-A86 CarbonylContact C-O 3.56Å; A76-A86 VanDerWaalsContact CA-O 3.28Å; A76-A86 WeakPolarHBondContact CA-O 3.48Å; K77-A86 PolarHBondContact N-O 3.22Å; K77-A86 PolarHBondContact O-N 3.33Å; A86-L94 HydrophobicContact CB-CD1 4.24Å; A86-L94 HydrophobicContact CB-CD2 4.41Å; A86-L94 HydrophobicContact CB-CG 4.49Å; A86-R95 CarbonylContact C-O 3.57Å; A86-R95 WeakPolarHBondContact CA-O 3.34Å; A86-I96 HydrophobicContact CB-CG1 3.9Å; A86-V120 HydrophobicContact CB-CG1 4.18Å; A86-W122 HydrophobicContact CB-CZ2 3.58Å; A86-I129 HydrophobicContact CB-CD1 4.32Å
87	S	98	Very high	96.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.7	178.8	54.1	0	0	0	0	111.5	H69 V75 L94 R95 W97	H69-S87 PolarHBondContact CE1-O 2.95Å; H69-S87 VanDerWaalsContact CE1-O 3.26Å; H69-S87 WeakPolarHBondContact NE2-CB 3.44Å; H69-S87 PolarHBondContact NE2-O 3.48Å; H69-S87 PolarHBondContact NE2-OG 2.78Å; V75-S87 CarbonylContact O-C 3.41Å; V75-S87 VanDerWaalsContact O-CA 3.29Å; V75-S87 WeakPolarHBondContact O-CA 3.45Å; S87-L94 CarbonylContact O-C 3.58Å; S87-L94 WeakPolarHBondContact O-CA 3.46Å; S87-R95 PolarHBondContact N-O 2.95Å; S87-R95 PolarHBondContact O-N 3.13Å; S87-W97 PolarHBondContact OG-NE1 2.91Å
88	G	97.6	Very high	96.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	146.2	-178.6	0	0	0	0	0	111.8	C74 V75 K93	C74-G88 PolarHBondContact N-O 2.55Å; V75-G88 PolarHBondContact N-O 3.25Å; V75-G88 PolarHBondContact O-N 2.87Å; G88-K93 WeakPolarHBondContact CA-O 3.29Å
89	D	97.3	Very high	96.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	176.5	-178.5	67.8	32.7	0	0	0	114.9	H69 T71 P72 S91 G92 K93 I117	H69-D89 IonicContact CE1-OD2 3.42Å; H69-D89 IonicContact CG-OD2 3.41Å; H69-D89 WeakPolarHBondContact ND1-CB 3.44Å; H69-D89 IonicContact ND1-OD2 2.67Å; H69-D89 PolarHBondContact ND1-OD2 3.38Å; T71-D89 WeakPolarHBondContact OG1-CB 3.47Å; T71-D89 PolarHBondContact OG1-OD1 3.16Å; T71-D89 PolarHBondContact OG1-OD2 3.44Å; P72-D89 WeakPolarHBondContact O-CA 3.44Å; P72-D89 WeakPolarHBondContact O-CB 3.19Å; D89-S91 PolarHBondContact O-N 3.36Å; D89-S91 WeakPolarHBondContact OD1-CA 3.37Å; D89-S91 WeakPolarHBondContact OD1-CB 3.32Å; D89-S91 PolarHBondContact OD1-N 3.27Å; D89-S91 PolarHBondContact OD1-OG 3.26Å; D89-G92 PolarHBondContact O-N 3.27Å; D89-G92 VanDerWaalsContact O-N 3.12Å; D89-G92 PolarHBondContact OD1-N 3Å; D89-K93 PolarHBondContact N-O 3.31Å; D89-K93 WeakPolarHBondContact OD1-CB 3.34Å; D89-K93 PolarHBondContact OD1-N 3.26Å; D89-K93 VanDerWaalsContact OD1-N 3.1Å; D89-I117 PolarHBondContact O-N 3.1Å; D89-I117 VanDerWaalsContact O-N 3.11Å
90	K	96.1	Very high	95.7	Very high	122 Å²	122	29.5 Å²	29.5	53%	0.53	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.1	179	-75.3	-167.8	178.8	-179	0	114.3	P72 C74 G92 A115 A116	P72-K90 HydrophobicContact CB-CD 3.97Å; P72-K90 HydrophobicContact CB-CG 4.22Å; P72-K90 HydrophobicContact CG-CD 4.08Å; P72-K90 PolarHBondContact O-N 3.08Å; C74-K90 WeakPolarHBondContact SG-CG 3.29Å; K90-G92 VanDerWaalsContact C-N 3.3Å; K90-A115 CarbonylContact O-C 3.6Å; K90-A116 WeakPolarHBondContact O-CA 3.32Å; K90-A116 PolarHBondContact O-N 2.82Å; K90-A116 VanDerWaalsContact O-N 3.08Å
91	S	96.4	Very high	95.4	Very high	37 Å²	37	31.7 Å²	31.7	26%	0.259	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-10.8	178.3	76.2	0	0	0	0	113	T71 D89 K93 Q111	T71-S91 PolarHBondContact OG1-N 3.03Å; D89-S91 PolarHBondContact O-N 3.36Å; D89-S91 WeakPolarHBondContact OD1-CA 3.37Å; D89-S91 WeakPolarHBondContact OD1-CB 3.32Å; D89-S91 PolarHBondContact OD1-N 3.27Å; D89-S91 PolarHBondContact OD1-OG 3.26Å; S91-K93 WeakPolarHBondContact OG-CB 3.45Å; S91-Q111 PolarHBondContact O-NE2 3.11Å
92	G	96.8	Very high	94.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	92	10.9	-175.7	0	0	0	0	0	114.3	D89 K90 Q111 P112 L113 A115	D89-G92 PolarHBondContact O-N 3.27Å; D89-G92 VanDerWaalsContact O-N 3.12Å; D89-G92 PolarHBondContact OD1-N 3Å; K90-G92 VanDerWaalsContact C-N 3.3Å; G92-Q111 PolarHBondContact O-NE2 2.88Å; G92-P112 VanDerWaalsContact O-CD 3.27Å; G92-P112 WeakPolarHBondContact O-CD 3.31Å; G92-L113 PolarHBondContact O-N 3.39Å; G92-A115 WeakPolarHBondContact CA-O 3.4Å; G92-A115 PolarHBondContact N-O 2.64Å
93	K	97.8	Very high	94.4	Very high	45 Å²	45	40.2 Å²	40.2	20%	0.196	20%	0.196	C	C	.	.			trans	-89.4	134.4	-179.3	180	179.2	-77.3	-148	0	109.9	G88 D89 S91 R95 E109 I117	G88-K93 WeakPolarHBondContact CA-O 3.29Å; D89-K93 PolarHBondContact N-O 3.31Å; D89-K93 WeakPolarHBondContact OD1-CB 3.34Å; D89-K93 PolarHBondContact OD1-N 3.26Å; D89-K93 VanDerWaalsContact OD1-N 3.1Å; S91-K93 WeakPolarHBondContact OG-CB 3.45Å; K93-R95 HydrophobicContact CG-CG 4.44Å; K93-E109 VanDerWaalsContact CD-CD 3.47Å; K93-E109 HydrophobicContact CD-CG 4.07Å; K93-E109 WeakPolarHBondContact CD-OE2 3.41Å; K93-E109 VanDerWaalsContact CE-OE1 3.3Å; K93-E109 WeakPolarHBondContact CE-OE1 3.31Å; K93-E109 HydrophobicContact CG-CG 3.89Å; K93-E109 IonicContact NZ-OE1 3.24Å; K93-E109 PolarHBondContact NZ-OE1 3.08Å; K93-E109 IonicContact NZ-OE2 3.08Å; K93-I117 WeakPolarHBondContact O-CD1 3.14Å
94	L	98.2	Very high	94.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.4	174.4	-170.1	82.6	0	0	0	109.4	A86 S87 I96 E109 Y110 P112 I117 V120 I129 V131 F143	A86-L94 HydrophobicContact CB-CD1 4.24Å; A86-L94 HydrophobicContact CB-CD2 4.41Å; A86-L94 HydrophobicContact CB-CG 4.49Å; S87-L94 CarbonylContact O-C 3.58Å; S87-L94 WeakPolarHBondContact O-CA 3.46Å; L94-I96 HydrophobicContact CD2-CD1 4.16Å; L94-I96 HydrophobicContact CD2-CG1 4.36Å; L94-E109 WeakPolarHBondContact O-CA 3.34Å; L94-Y110 PolarHBondContact N-O 3.44Å; L94-Y110 PolarHBondContact O-N 2.72Å; L94-P112 HydrophobicContact CB-CG 4.13Å; L94-I117 HydrophobicContact CB-CD1 4.01Å; L94-I117 HydrophobicContact CD1-CD1 4.17Å; L94-V120 HydrophobicContact CD1-CG1 4.42Å; L94-V120 HydrophobicContact CD1-CG2 3.78Å; L94-I129 HydrophobicContact CD2-CD1 4.16Å; L94-I129 HydrophobicContact CD2-CG2 3.89Å; L94-V131 HydrophobicContact CD1-CG1 4.13Å; L94-V131 HydrophobicContact CD2-CG1 4.07Å; L94-F143 HydrophobicContact CD2-CE2 4.43Å; L94-F143 HydrophobicContact CD2-CZ 3.68Å
95	R	98.3	Very high	94.3	Very high	31 Å²	31	39.3 Å²	39.3	12%	0.117	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.5	173.5	-65	178.6	69	94.6	-9.2	108.9	Y66 E68 A86 S87 K93 L106 E109	Y66-R95 PolarHBondContact OH-NE 3.25Å; Y66-R95 PolarHBondContact OH-NH2 3.08Å; E68-R95 IonicContact OE2-CZ 3.23Å; E68-R95 IonicContact OE2-NE 3.97Å; E68-R95 IonicContact OE2-NH2 2.95Å; E68-R95 PolarHBondContact OE2-NH2 3Å; A86-R95 CarbonylContact C-O 3.57Å; A86-R95 WeakPolarHBondContact CA-O 3.34Å; S87-R95 PolarHBondContact N-O 2.95Å; S87-R95 PolarHBondContact O-N 3.13Å; K93-R95 HydrophobicContact CG-CG 4.44Å; R95-L106 HydrophobicContact CB-CD1 3.87Å; R95-L106 HydrophobicContact CG-CD1 4.24Å; R95-E109 HydrophobicContact CG-CG 4.34Å; R95-E109 IonicContact CZ-OE2 3.09Å; R95-E109 IonicContact NH1-OE2 2.71Å; R95-E109 PolarHBondContact NH1-OE2 3.13Å
96	I	97.8	Very high	94.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.6	171.8	-54.1	120.8	0	0	0	108.6	Y84 I85 A86 L94 K107 K108 Y110 W122 I129 F145	Y84-I96 HydrophobicContact CD1-CG2 4.47Å; Y84-I96 HydrophobicContact CG-CG2 4.37Å; I85-I96 VanDerWaalsContact O-CA 3.29Å; I85-I96 WeakPolarHBondContact O-CA 3.49Å; A86-I96 HydrophobicContact CB-CG1 3.9Å; L94-I96 HydrophobicContact CD2-CD1 4.16Å; L94-I96 HydrophobicContact CD2-CG1 4.36Å; I96-K107 WeakPolarHBondContact O-CA 3.27Å; I96-K107 WeakPolarHBondContact O-CB 3.32Å; I96-K107 PolarHBondContact O-N 3.47Å; I96-K108 HydrophobicContact CB-CB 4.48Å; I96-K108 HydrophobicContact CD1-CB 3.89Å; I96-K108 PolarHBondContact N-O 3.42Å; I96-K108 PolarHBondContact O-N 3.35Å; I96-K108 VanDerWaalsContact O-N 3.08Å; I96-Y110 HydrophobicContact CD1-CD2 3.85Å; I96-Y110 HydrophobicContact CD1-CE2 3.81Å; I96-W122 HydrophobicContact CG1-CZ2 4.49Å; I96-W122 HydrophobicContact CG2-CH2 3.96Å; I96-W122 HydrophobicContact CG2-CZ2 4.03Å; I96-I129 HydrophobicContact CD1-CD1 3.74Å; I96-I129 HydrophobicContact CG1-CD1 3.86Å; I96-F145 HydrophobicContact CB-CD2 4.49Å; I96-F145 HydrophobicContact CB-CE2 3.95Å; I96-F145 HydrophobicContact CD1-CD2 3.87Å; I96-F145 HydrophobicContact CD1-CE2 4.07Å; I96-F145 HydrophobicContact CG1-CD2 4.26Å; I96-F145 HydrophobicContact CG1-CE2 4.23Å; I96-F145 HydrophobicContact CG2-CD2 4.15Å; I96-F145 HydrophobicContact CG2-CE2 3.44Å; I96-F145 VanDerWaalsContact CG2-CE2 3.44Å; I96-F145 HydrophobicContact CG2-CZ 4.16Å
97	W	96.8	Very high	94.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	154.5	-170.5	46.2	-85.8	0	0	0	111.1	V58 P60 Y66 Y84 I85 S87 T99 H104 I105	V58-W97 HydrophobicContact CB-CZ2 4.07Å; V58-W97 HydrophobicContact CG1-CH2 4.43Å; V58-W97 HydrophobicContact CG1-CZ2 3.97Å; P60-W97 HydrophobicContact CG-CH2 4.1Å; Y66-W97 HydrophobicContact CD1-CD2 4.18Å; Y66-W97 AromaticContact CD1-CE2 3.57Å; Y66-W97 HydrophobicContact CD1-CH2 4.46Å; Y66-W97 AromaticContact CD1-CZ2 3.74Å; Y66-W97 HydrophobicContact CD1-CZ2 3.74Å; Y66-W97 AromaticContact CD1-NE1 3.61Å; Y66-W97 AromaticContact CD2-CD2 3.95Å; Y66-W97 HydrophobicContact CD2-CD2 3.95Å; Y66-W97 HydrophobicContact CD2-CE3 4.1Å; Y66-W97 HydrophobicContact CD2-CG 4.29Å; Y66-W97 HydrophobicContact CD2-CZ2 4.49Å; Y66-W97 HydrophobicContact CD2-CZ3 4.42Å; Y66-W97 AromaticContact CE1-CD1 3.62Å; Y66-W97 HydrophobicContact CE1-CD2 4.28Å; Y66-W97 AromaticContact CE1-CE2 3.85Å; Y66-W97 HydrophobicContact CE1-CG 4.14Å; Y66-W97 HydrophobicContact CE1-CZ2 4.46Å; Y66-W97 AromaticContact CE1-NE1 3.44Å; Y66-W97 HydrophobicContact CE2-CB 4.19Å; Y66-W97 HydrophobicContact CE2-CD2 4.05Å; Y66-W97 AromaticContact CE2-CG 3.89Å; Y66-W97 HydrophobicContact CE2-CG 3.89Å; Y66-W97 AromaticContact CG-CD2 3.99Å; Y66-W97 HydrophobicContact CG-CD2 3.99Å; Y66-W97 AromaticContact CG-CE2 3.72Å; Y66-W97 HydrophobicContact CG-CE3 4.26Å; Y66-W97 HydrophobicContact CG-CH2 4.01Å; Y66-W97 AromaticContact CG-CZ2 3.74Å; Y66-W97 HydrophobicContact CG-CZ2 3.74Å; Y66-W97 HydrophobicContact CG-CZ3 4.26Å; Y66-W97 AromaticContact CZ-CD1 3.6Å; Y66-W97 AromaticContact CZ-CG 3.79Å; Y66-W97 AromaticContact CZ-NE1 3.9Å; Y84-W97 VanDerWaalsContact CA-O 3.26Å; Y84-W97 WeakPolarHBondContact CA-O 3.25Å; I85-W97 HydrophobicContact CB-CD2 4.15Å; I85-W97 HydrophobicContact CB-CE3 4.41Å; I85-W97 HydrophobicContact CB-CH2 3.96Å; I85-W97 HydrophobicContact CB-CZ2 3.62Å; I85-W97 HydrophobicContact CB-CZ3 4.33Å; I85-W97 HydrophobicContact CD1-CH2 3.32Å; I85-W97 HydrophobicContact CD1-CZ2 3.79Å; I85-W97 HydrophobicContact CD1-CZ3 3.81Å; I85-W97 HydrophobicContact CG1-CH2 4.23Å; I85-W97 HydrophobicContact CG1-CZ2 4.32Å; I85-W97 HydrophobicContact CG2-CH2 4.11Å; I85-W97 HydrophobicContact CG2-CZ2 3.38Å; I85-W97 PolarHBondContact N-O 3.25Å; I85-W97 PolarHBondContact O-N 3.44Å; S87-W97 PolarHBondContact OG-NE1 2.91Å; W97-T99 HydrophobicContact CE3-CG2 4.26Å; W97-T99 HydrophobicContact CZ3-CG2 4.04Å; W97-H104 HydrophobicContact CE3-CB 3.87Å; W97-H104 AromaticContact CE3-CG 3.89Å; W97-H104 AromaticContact CE3-ND1 3.87Å; W97-H104 HydrophobicContact CZ3-CB 4.33Å; W97-H104 AromaticContact CZ3-CE1 3.95Å; W97-H104 AromaticContact CZ3-CG 3.86Å; W97-H104 AromaticContact CZ3-ND1 3.65Å; W97-I105 WeakPolarHBondContact CA-O 3.18Å
98	D	94.8	Very high	94.2	Very high	23 Å²	23	50 Å²	50	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	140.2	-177.4	-174.4	83.7	0	0	0	112	N83 Y84 T100 Q101 H104 I105	N83-D98 WeakPolarHBondContact O-CA 3.35Å; Y84-D98 HydrophobicContact CE1-CB 4.5Å; D98-T100 PolarHBondContact OD1-OG1 3.38Å; D98-T100 WeakPolarHBondContact OD2-CA 3.32Å; D98-T100 WeakPolarHBondContact OD2-CB 3.23Å; D98-T100 PolarHBondContact OD2-N 3Å; D98-T100 PolarHBondContact OD2-OG1 3Å; D98-Q101 PolarHBondContact OD2-N 3.05Å; D98-H104 WeakPolarHBondContact O-CA 3.34Å; D98-H104 PolarHBondContact O-ND1 2.64Å; D98-I105 PolarHBondContact N-O 3.02Å
99	T	91.2	Very high	94.1	Very high	34 Å²	34	53.7 Å²	53.7	21%	0.209	26%	0.259	C	S	.	.	S	Bend	trans	-110.3	-2	-179.9	59.6	0	0	0	0	113.3	Y78 G82 N83 I85 W97 Q101	Y78-T99 HydrophobicContact CD1-CG2 4.48Å; Y78-T99 HydrophobicContact CE1-CG2 3.99Å; G82-T99 PolarHBondContact O-OG1 2.91Å; N83-T99 WeakPolarHBondContact CA-OG1 3.27Å; N83-T99 PolarHBondContact O-N 3.25Å; N83-T99 PolarHBondContact O-OG1 3.42Å; I85-T99 HydrophobicContact CB-CG2 4.11Å; I85-T99 HydrophobicContact CD1-CG2 3.5Å; I85-T99 VanDerWaalsContact CD1-CG2 3.5Å; I85-T99 HydrophobicContact CG1-CG2 3.57Å; W97-T99 HydrophobicContact CE3-CG2 4.26Å; W97-T99 HydrophobicContact CZ3-CG2 4.04Å; T99-Q101 VanDerWaalsContact C-N 3.34Å
100	T	88.3	Confident	94.2	Very high	87 Å²	87	55.9 Å²	55.9	53%	0.534	27%	0.268	S	S	.	.	S	Bend	trans	-80.6	-23.6	-176.5	72.3	0	0	0	0	111.8	N83 D98	N83-T100 HydrophobicContact CB-CG2 4.2Å; D98-T100 PolarHBondContact OD1-OG1 3.38Å; D98-T100 WeakPolarHBondContact OD2-CA 3.32Å; D98-T100 WeakPolarHBondContact OD2-CB 3.23Å; D98-T100 PolarHBondContact OD2-N 3Å; D98-T100 PolarHBondContact OD2-OG1 3Å
101	Q	87.1	Confident	94.2	Very high	98 Å²	98	54.9 Å²	54.9	46%	0.458	27%	0.265	S	S	.	.	S	Bend	trans	-120.7	149.4	-178.8	-68.8	177.5	52.7	0	0	111	D98 T99 E103 H104	D98-Q101 PolarHBondContact OD2-N 3.05Å; T99-Q101 VanDerWaalsContact C-N 3.34Å; Q101-E103 WeakPolarHBondContact CB-OE2 3.22Å; Q101-E103 PolarHBondContact O-N 3.21Å; Q101-H104 PolarHBondContact O-N 2.81Å; Q101-H104 PolarHBondContact O-ND1 2.85Å; Q101-H104 VanDerWaalsContact O-ND1 3.15Å
102	K	81.4	Confident	94.2	Very high	135 Å²	135	53.5 Å²	53.5	59%	0.587	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.2	-178.9	-71.9	-169.8	175.3	-175.3	0	112.8	H104	K102-H104 PolarHBondContact O-N 2.86Å
103	E	85.9	Confident	94.2	Very high	108 Å²	108	53.9 Å²	53.9	51%	0.505	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-13.1	179.3	-63.3	80.3	178.6	0	0	112.2	Q101 I105	Q101-E103 WeakPolarHBondContact CB-OE2 3.22Å; Q101-E103 PolarHBondContact O-N 3.21Å; E103-I105 VanDerWaalsContact C-N 3.33Å; E103-I105 HydrophobicContact CB-CG1 4.31Å; E103-I105 PolarHBondContact O-N 2.91Å
104	H	91	Very high	94	Very high	9 Å²	9	55 Å²	55	4%	0.042	28%	0.275	C	S	.	.			trans	47	51.3	176.5	-61.5	-39.3	0	0	0	114.4	D64 Y66 W97 D98 Q101 K102 L106	D64-H104 IonicContact OD1-CE1 3.68Å; D64-H104 IonicContact OD1-NE2 3.36Å; D64-H104 PolarHBondContact OD1-NE2 2.83Å; D64-H104 VanDerWaalsContact OD1-NE2 3.16Å; D64-H104 IonicContact OD2-CE1 2.92Å; D64-H104 PolarHBondContact OD2-CE1 2.97Å; D64-H104 IonicContact OD2-NE2 3.44Å; D64-H104 PolarHBondContact OD2-NE2 2.79Å; Y66-H104 HydrophobicContact CD2-CB 3.59Å; Y66-H104 HydrophobicContact CE2-CB 4.02Å; W97-H104 HydrophobicContact CE3-CB 3.87Å; W97-H104 AromaticContact CE3-CG 3.89Å; W97-H104 AromaticContact CE3-ND1 3.87Å; W97-H104 HydrophobicContact CZ3-CB 4.33Å; W97-H104 AromaticContact CZ3-CE1 3.95Å; W97-H104 AromaticContact CZ3-CG 3.86Å; W97-H104 AromaticContact CZ3-ND1 3.65Å; D98-H104 WeakPolarHBondContact O-CA 3.34Å; D98-H104 PolarHBondContact O-ND1 2.64Å; Q101-H104 PolarHBondContact O-N 2.81Å; Q101-H104 PolarHBondContact O-ND1 2.85Å; Q101-H104 VanDerWaalsContact O-ND1 3.15Å; K102-H104 PolarHBondContact O-N 2.86Å; H104-L106 PolarHBondContact O-N 2.57Å; H104-L106 VanDerWaalsContact O-N 3.16Å
105	I	94.6	Very high	93.9	Very high	96 Å²	96	56.3 Å²	56.3	49%	0.492	29%	0.286	S	S	.	.			trans	-55.3	124.6	-174.4	-58.6	174.8	0	0	0	110.2	W97 D98 E103 K107	W97-I105 WeakPolarHBondContact CA-O 3.18Å; D98-I105 PolarHBondContact N-O 3.02Å; E103-I105 VanDerWaalsContact C-N 3.33Å; E103-I105 HydrophobicContact CB-CG1 4.31Å; E103-I105 PolarHBondContact O-N 2.91Å; I105-K107 PolarHBondContact O-N 3.36Å
106	L	96.4	Very high	93.8	Very high	64 Å²	64	56 Å²	56	34%	0.335	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	120.2	173.7	-176.1	72.8	0	0	0	110	R95 H104 K108 E109	R95-L106 HydrophobicContact CB-CD1 3.87Å; R95-L106 HydrophobicContact CG-CD1 4.24Å; H104-L106 PolarHBondContact O-N 2.57Å; H104-L106 VanDerWaalsContact O-N 3.16Å; L106-K108 WeakPolarHBondContact CD1-O 3.46Å; L106-E109 HydrophobicContact CD2-CB 4.33Å
107	K	96.4	Very high	93.8	Very high	92 Å²	92	56 Å²	56	40%	0.4	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-46.5	177.1	-176.6	63.2	175.5	-166.8	0	111.6	Y84 I96 I105 F145	Y84-K107 HydrophobicContact CD1-CB 4.41Å; Y84-K107 HydrophobicContact CE1-CB 4.18Å; Y84-K107 HydrophobicContact CE1-CD 4.34Å; Y84-K107 HydrophobicContact CE1-CG 3.98Å; I96-K107 WeakPolarHBondContact O-CA 3.27Å; I96-K107 WeakPolarHBondContact O-CB 3.32Å; I96-K107 PolarHBondContact O-N 3.47Å; I105-K107 PolarHBondContact O-N 3.36Å; K107-F145 HydrophobicContact CG-CE2 4.34Å; K107-F145 HydrophobicContact CG-CZ 3.97Å
108	K	97.2	Very high	93.8	Very high	70 Å²	70	58.6 Å²	58.6	30%	0.304	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	152.9	-179.3	-64	-66.1	170.9	154.4	0	111.3	I96 L106 Y110 F145 E146	I96-K108 HydrophobicContact CB-CB 4.48Å; I96-K108 HydrophobicContact CD1-CB 3.89Å; I96-K108 PolarHBondContact N-O 3.42Å; I96-K108 PolarHBondContact O-N 3.35Å; I96-K108 VanDerWaalsContact O-N 3.08Å; L106-K108 WeakPolarHBondContact CD1-O 3.46Å; K108-Y110 HydrophobicContact CB-CD2 4.39Å; K108-Y110 HydrophobicContact CB-CE2 3.69Å; K108-Y110 HydrophobicContact CG-CE2 4.18Å; K108-F145 HydrophobicContact CG-CE2 4.32Å; K108-E146 VanDerWaalsContact CE-O 3.28Å; K108-E146 WeakPolarHBondContact CE-O 3.42Å; K108-E146 PolarHBondContact NZ-O 2.92Å
109	E	97.5	Very high	94	Very high	76 Å²	76	57.5 Å²	57.5	36%	0.355	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	135.9	168.4	177.1	172.7	112.9	0	0	109.3	K93 L94 R95 L106	K93-E109 VanDerWaalsContact CD-CD 3.47Å; K93-E109 HydrophobicContact CD-CG 4.07Å; K93-E109 WeakPolarHBondContact CD-OE2 3.41Å; K93-E109 VanDerWaalsContact CE-OE1 3.3Å; K93-E109 WeakPolarHBondContact CE-OE1 3.31Å; K93-E109 HydrophobicContact CG-CG 3.89Å; K93-E109 IonicContact NZ-OE1 3.24Å; K93-E109 PolarHBondContact NZ-OE1 3.08Å; K93-E109 IonicContact NZ-OE2 3.08Å; L94-E109 WeakPolarHBondContact O-CA 3.34Å; R95-E109 HydrophobicContact CG-CG 4.34Å; R95-E109 IonicContact CZ-OE2 3.09Å; R95-E109 IonicContact NH1-OE2 2.71Å; R95-E109 PolarHBondContact NH1-OE2 3.13Å; L106-E109 HydrophobicContact CD2-CB 4.33Å
110	Y	97.7	Very high	94.3	Very high	46 Å²	46	55.9 Å²	55.9	18%	0.18	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	156.8	177	-58.3	-66.6	0	0	0	110.7	L94 I96 K108 P112 F143 F145 E146 G148	L94-Y110 PolarHBondContact N-O 3.44Å; L94-Y110 PolarHBondContact O-N 2.72Å; I96-Y110 HydrophobicContact CD1-CD2 3.85Å; I96-Y110 HydrophobicContact CD1-CE2 3.81Å; K108-Y110 HydrophobicContact CB-CD2 4.39Å; K108-Y110 HydrophobicContact CB-CE2 3.69Å; K108-Y110 HydrophobicContact CG-CE2 4.18Å; Y110-P112 WeakPolarHBondContact O-CD 3.49Å; Y110-F143 HydrophobicContact CD2-CD2 4.41Å; Y110-F143 AromaticContact CD2-CE2 3.57Å; Y110-F143 HydrophobicContact CD2-CE2 3.57Å; Y110-F143 HydrophobicContact CD2-CZ 4.17Å; Y110-F143 AromaticContact CE2-CE2 3.92Å; Y110-F143 HydrophobicContact CE2-CE2 3.92Å; Y110-F143 HydrophobicContact CG-CE2 4.19Å; Y110-F145 WeakPolarHBondContact CE2-O 3.33Å; Y110-F145 PolarHBondContact OH-O 3.41Å; Y110-E146 PolarHBondContact OH-O 2.8Å; Y110-G148 PolarHBondContact OH-N 2.93Å; Y110-G148 VanDerWaalsContact OH-N 3.15Å
111	Q	96.3	Very high	94.8	Very high	101 Å²	101	52.1 Å²	52.1	47%	0.472	26%	0.262	S	S	.	.			trans	-115.6	73.2	173.9	-170.8	73.5	42.3	0	0	109.8	S91 G92 L113	S91-Q111 PolarHBondContact O-NE2 3.11Å; G92-Q111 PolarHBondContact O-NE2 2.88Å; Q111-L113 PolarHBondContact NE2-O 2.82Å
112	P	96	Very high	95.3	Very high	9 Å²	9	48.3 Å²	48.3	6%	0.058	24%	0.243	C	C	.	.			trans	-72.4	-26.2	-175	29.1	-37.7	0	0	0	114	G92 L94 Y110 I117 V131 H141 F143	G92-P112 VanDerWaalsContact O-CD 3.27Å; G92-P112 WeakPolarHBondContact O-CD 3.31Å; L94-P112 HydrophobicContact CB-CG 4.13Å; Y110-P112 WeakPolarHBondContact O-CD 3.49Å; P112-I117 HydrophobicContact CG-CD1 4.11Å; P112-V131 HydrophobicContact CB-CG2 3.54Å; P112-V131 HydrophobicContact CG-CB 4.44Å; P112-V131 HydrophobicContact CG-CG1 4.22Å; P112-V131 HydrophobicContact CG-CG2 3.62Å; P112-H141 HydrophobicContact CB-CB 4.19Å; P112-F143 HydrophobicContact CB-CE1 3.9Å; P112-F143 HydrophobicContact CG-CE1 4.37Å
113	L	96.6	Very high	96	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.037	22%	0.215	C	C	.	.			trans	-127.2	160.2	179.7	-59.4	-179.5	0	0	0	110.5	G92 Q111 I117 V131 R138	G92-L113 PolarHBondContact O-N 3.39Å; Q111-L113 PolarHBondContact NE2-O 2.82Å; L113-I117 HydrophobicContact CD1-CG1 4.03Å; L113-V131 HydrophobicContact CD1-CG2 4.39Å; L113-V131 HydrophobicContact CG-CG2 4.18Å; L113-R138 HydrophobicContact CD2-CG 4.24Å; L113-R138 WeakPolarHBondContact CD2-O 3.43Å
114	A	95.4	Very high	96.5	Very high	68 Å²	68	39.2 Å²	39.2	56%	0.562	21%	0.211	S	C	*	.	S	Bend	trans	-91.3	-7.3	177.8	0	0	0	0	0	113.8
115	A	96	Very high	96.7	Very high	29 Å²	29	42.2 Å²	42.2	24%	0.24	23%	0.227	C	C	.	.	S	Bend	trans	-148.8	-169	177.6	0	0	0	0	0	109.5	K90 G92 I117 D134	K90-A115 CarbonylContact O-C 3.6Å; G92-A115 WeakPolarHBondContact CA-O 3.4Å; G92-A115 PolarHBondContact N-O 2.64Å; A115-I117 PolarHBondContact O-N 2.93Å; A115-D134 CarbonylContact C-O 3.59Å; A115-D134 WeakPolarHBondContact CA-O 3.48Å; A115-D134 HydrophobicContact CB-CB 4.33Å; A115-D134 VanDerWaalsContact CB-O 3.27Å; A115-D134 WeakPolarHBondContact CB-O 3.25Å; A115-D134 PolarHBondContact N-O 3.46Å
116	A	96.5	Very high	96.7	Very high	25 Å²	25	39.6 Å²	39.6	21%	0.207	21%	0.214	C	C	.	.			trans	-52.9	127.3	-162.4	0	0	0	0	0	114.6	K90 G133 D134	K90-A116 WeakPolarHBondContact O-CA 3.32Å; K90-A116 PolarHBondContact O-N 2.82Å; K90-A116 VanDerWaalsContact O-N 3.08Å; A116-G133 VanDerWaalsContact O-CA 3.31Å; A116-G133 WeakPolarHBondContact O-CA 3.1Å; A116-D134 PolarHBondContact O-N 2.81Å
117	I	97.7	Very high	96.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	122.7	166.2	-64.7	165.4	0	0	0	108.1	C74 V75 D89 K93 L94 P112 L113 A115 V120 V131	C74-I117 WeakPolarHBondContact CB-O 2.99Å; V75-I117 HydrophobicContact CG1-CG2 3.7Å; D89-I117 PolarHBondContact O-N 3.1Å; D89-I117 VanDerWaalsContact O-N 3.11Å; K93-I117 WeakPolarHBondContact O-CD1 3.14Å; L94-I117 HydrophobicContact CB-CD1 4.01Å; L94-I117 HydrophobicContact CD1-CD1 4.17Å; P112-I117 HydrophobicContact CG-CD1 4.11Å; L113-I117 HydrophobicContact CD1-CG1 4.03Å; A115-I117 PolarHBondContact O-N 2.93Å; I117-V120 HydrophobicContact CG2-CG2 3.71Å; I117-V131 HydrophobicContact CG2-CB 4.38Å
118	R	96.8	Very high	96.7	Very high	54 Å²	54	38.3 Å²	38.3	20%	0.204	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-33.8	179.6	-64.5	-175.5	-177.3	-158.8	5.4	112.6	A132 N162 E179	R118-A132 PolarHBondContact N-O 3.29Å; R118-N162 PolarHBondContact NH1-OD1 3.31Å; R118-E179 IonicContact CZ-OE1 3.54Å; R118-E179 IonicContact NH1-OE1 2.56Å; R118-E179 PolarHBondContact NH1-OE1 2.71Å; R118-E179 IonicContact NH2-OE1 2.7Å; R118-E179 PolarHBondContact NH2-OE1 2.81Å
119	D	98.1	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	155.1	178.4	-157.5	6.3	0	0	0	111.7	K77 A132 S163 I164 R208	K77-D119 WeakPolarHBondContact CE-OD1 3.37Å; K77-D119 IonicContact NZ-OD1 3.45Å; K77-D119 PolarHBondContact NZ-OD1 3.07Å; D119-A132 PolarHBondContact N-O 3.18Å; D119-A132 VanDerWaalsContact N-O 3.09Å; D119-A132 PolarHBondContact O-N 2.71Å; D119-S163 WeakPolarHBondContact OD2-CA 3.36Å; D119-S163 PolarHBondContact OD2-OG 2.93Å; D119-I164 HydrophobicContact CB-CG2 4.14Å; D119-I164 PolarHBondContact OD2-N 3.3Å; D119-I164 VanDerWaalsContact OD2-N 3.11Å; D119-R208 IonicContact OD1-NH2 3.45Å; D119-R208 PolarHBondContact OD1-NH2 2.81Å; D119-R208 IonicContact OD2-CZ 3.1Å; D119-R208 VanDerWaalsContact OD2-CZ 3.32Å; D119-R208 IonicContact OD2-NH1 2.96Å; D119-R208 PolarHBondContact OD2-NH1 2.83Å; D119-R208 IonicContact OD2-NH2 3.05Å; D119-R208 PolarHBondContact OD2-NH2 2.91Å
120	V	98.1	Very high	96.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145	179.1	178.7	0	0	0	0	107.8	V75 K77 A86 L94 I117 I129 A130 V131	V75-V120 HydrophobicContact CG1-CG2 3.76Å; K77-V120 HydrophobicContact CG-CB 3.96Å; K77-V120 HydrophobicContact CG-CG1 4.4Å; K77-V120 VanDerWaalsContact CG-O 3.3Å; K77-V120 WeakPolarHBondContact CG-O 3.15Å; K77-V120 PolarHBondContact NZ-O 2.84Å; A86-V120 HydrophobicContact CB-CG1 4.18Å; L94-V120 HydrophobicContact CD1-CG1 4.42Å; L94-V120 HydrophobicContact CD1-CG2 3.78Å; I117-V120 HydrophobicContact CG2-CG2 3.71Å; V120-I129 HydrophobicContact CG1-CG2 3.79Å; V120-A130 CarbonylContact C-O 3.45Å; V120-A130 WeakPolarHBondContact CA-O 3.34Å; V120-V131 HydrophobicContact CG1-CG1 4.49Å; V120-V131 HydrophobicContact CG2-CG1 4.15Å
121	S	98	Very high	96.9	Very high	8 Å²	8	29.2 Å²	29.2	6%	0.056	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.2	169.9	-171.8	0	0	0	0	110.6	I129 A130 D165 F166	S121-I129 WeakPolarHBondContact O-CA 3.41Å; S121-A130 PolarHBondContact N-O 2.83Å; S121-A130 PolarHBondContact O-N 2.75Å; S121-D165 PolarHBondContact OG-OD1 2.89Å; S121-F166 WeakPolarHBondContact O-CE2 3.16Å; S121-F166 PolarHBondContact OG-N 3.28Å; S121-F166 VanDerWaalsContact OG-N 3.08Å
122	W	97.8	Very high	97	Very high	18 Å²	18	24.4 Å²	24.4	7%	0.068	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140.6	176	-75.4	93.7	0	0	0	109.6	K77 Y78 P80 A86 I96 I129 F145	K77-W122 PolarHBondContact O-NE1 3.03Å; Y78-W122 VanDerWaalsContact O-CD1 3.29Å; P80-W122 HydrophobicContact CG-CB 4.17Å; A86-W122 HydrophobicContact CB-CZ2 3.58Å; I96-W122 HydrophobicContact CG1-CZ2 4.49Å; I96-W122 HydrophobicContact CG2-CH2 3.96Å; I96-W122 HydrophobicContact CG2-CZ2 4.03Å; W122-I129 HydrophobicContact CD2-CD1 4.36Å; W122-I129 HydrophobicContact CD2-CG1 3.88Å; W122-I129 HydrophobicContact CE3-CD1 4.14Å; W122-I129 HydrophobicContact CE3-CG1 3.61Å; W122-I129 HydrophobicContact CH2-CD1 3.57Å; W122-I129 HydrophobicContact CH2-CG1 4.01Å; W122-I129 HydrophobicContact CZ2-CD1 3.79Å; W122-I129 HydrophobicContact CZ2-CG1 4.23Å; W122-I129 HydrophobicContact CZ3-CD1 3.75Å; W122-I129 HydrophobicContact CZ3-CG1 3.69Å; W122-F145 HydrophobicContact CH2-CB 4.48Å; W122-F145 HydrophobicContact CH2-CD1 4.4Å; W122-F145 AromaticContact CH2-CD2 3.72Å; W122-F145 HydrophobicContact CH2-CD2 3.72Å; W122-F145 HydrophobicContact CH2-CE2 4.07Å; W122-F145 AromaticContact CH2-CG 3.93Å; W122-F145 HydrophobicContact CH2-CG 3.93Å; W122-F145 HydrophobicContact CZ3-CB 3.92Å; W122-F145 HydrophobicContact CZ3-CD1 4.1Å; W122-F145 HydrophobicContact CZ3-CD2 4Å; W122-F145 AromaticContact CZ3-CG 3.71Å; W122-F145 HydrophobicContact CZ3-CG 3.71Å
123	S	97.2	Very high	97	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.142	C	C	.	.			trans	-69.8	146.6	167.1	60.8	0	0	0	0	110.5	P80 D125 N126 Q127 R128	P80-S123 WeakPolarHBondContact CG-O 3.42Å; S123-D125 VanDerWaalsContact CB-OD1 3.32Å; S123-D125 WeakPolarHBondContact CB-OD1 3.35Å; S123-D125 PolarHBondContact O-N 3.08Å; S123-D125 PolarHBondContact OG-OD1 2.88Å; S123-N126 PolarHBondContact O-N 3.1Å; S123-Q127 PolarHBondContact OG-N 3.02Å; S123-R128 PolarHBondContact N-O 2.97Å; S123-R128 WeakPolarHBondContact OG-CB 3.47Å; S123-R128 PolarHBondContact OG-N 3.17Å; S123-R128 PolarHBondContact OG-O 2.95Å
124	A	95.2	Very high	96.9	Very high	51 Å²	51	26.8 Å²	26.8	42%	0.421	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.7	-177.2	0	0	0	0	0	114.1	N126 P168	A124-N126 VanDerWaalsContact C-N 3.31Å; A124-P168 VanDerWaalsContact CB-O 3.29Å; A124-P168 WeakPolarHBondContact CB-O 3.33Å
125	D	94.7	Very high	96.4	Very high	72 Å²	72	23.6 Å²	23.6	39%	0.385	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	4	176.5	65.6	-0.7	0	0	0	114.4	S123 Q127 R128	S123-D125 VanDerWaalsContact CB-OD1 3.32Å; S123-D125 WeakPolarHBondContact CB-OD1 3.35Å; S123-D125 PolarHBondContact O-N 3.08Å; S123-D125 PolarHBondContact OG-OD1 2.88Å; D125-Q127 HydrophobicContact CB-CG 4.31Å; D125-Q127 PolarHBondContact O-N 3.38Å; D125-Q127 WeakPolarHBondContact OD1-CB 3.35Å; D125-Q127 PolarHBondContact OD1-N 2.96Å; D125-Q127 VanDerWaalsContact OD1-N 3.11Å; D125-Q127 PolarHBondContact OD2-OE1 3.13Å; D125-R128 IonicContact OD1-NH1 3.45Å; D125-R128 PolarHBondContact OD1-NH1 3.1Å; D125-R128 IonicContact OD2-CZ 3.97Å; D125-R128 IonicContact OD2-NH1 2.82Å; D125-R128 PolarHBondContact OD2-NH1 2.82Å
126	N	95.2	Very high	95.9	Very high	41 Å²	41	33.3 Å²	33.3	22%	0.219	16%	0.162	C	C	.	.	S	Bend	trans	60.2	15.2	-175.6	-60.1	-97	0	0	0	114.9	S79 P80 S81 S123 A124	S79-N126 WeakPolarHBondContact CB-OD1 3.36Å; P80-N126 VanDerWaalsContact CD-OD1 3.23Å; P80-N126 WeakPolarHBondContact CD-OD1 3.24Å; S81-N126 WeakPolarHBondContact CB-OD1 3.32Å; S81-N126 PolarHBondContact N-OD1 3.02Å; S81-N126 PolarHBondContact OG-OD1 2.71Å; S123-N126 PolarHBondContact O-N 3.1Å; A124-N126 VanDerWaalsContact C-N 3.31Å
127	Q	96.1	Very high	95.5	Very high	103 Å²	103	40.7 Å²	40.7	48%	0.481	19%	0.192	S	C	.	.	S	Bend	trans	-94.5	-24.9	-175.8	-64	-174.8	-0.4	0	0	114	S123 D125 L144 F145	S123-Q127 PolarHBondContact OG-N 3.02Å; D125-Q127 HydrophobicContact CB-CG 4.31Å; D125-Q127 PolarHBondContact O-N 3.38Å; D125-Q127 WeakPolarHBondContact OD1-CB 3.35Å; D125-Q127 PolarHBondContact OD1-N 2.96Å; D125-Q127 VanDerWaalsContact OD1-N 3.11Å; D125-Q127 PolarHBondContact OD2-OE1 3.13Å; Q127-L144 CarbonylContact O-C 3.59Å; Q127-L144 WeakPolarHBondContact O-CA 3.34Å; Q127-F145 PolarHBondContact O-N 3.3Å
128	R	97.9	Very high	95.4	Very high	27 Å²	27	45.7 Å²	45.7	10%	0.102	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.9	-171.4	-60.9	163.3	-170.7	75.2	9.4	111.1	S123 D125 F143 L144 N151 F166	S123-R128 PolarHBondContact N-O 2.97Å; S123-R128 WeakPolarHBondContact OG-CB 3.47Å; S123-R128 PolarHBondContact OG-N 3.17Å; S123-R128 PolarHBondContact OG-O 2.95Å; D125-R128 IonicContact OD1-NH1 3.45Å; D125-R128 PolarHBondContact OD1-NH1 3.1Å; D125-R128 IonicContact OD2-CZ 3.97Å; D125-R128 IonicContact OD2-NH1 2.82Å; D125-R128 PolarHBondContact OD2-NH1 2.82Å; R128-F143 WeakPolarHBondContact CA-O 3.48Å; R128-L144 HydrophobicContact CG-CD2 3.88Å; R128-N151 WeakPolarHBondContact CD-OD1 3.29Å; R128-N151 PolarHBondContact NE-OD1 3.29Å; R128-F166 HydrophobicContact CB-CE2 4.41Å; R128-F166 HydrophobicContact CB-CZ 3.85Å
129	I	98.5	Very high	95.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.2	170.6	-61	172.6	0	0	0	107.4	A86 L94 I96 V120 S121 W122 V131 V142 F143 F145	A86-I129 HydrophobicContact CB-CD1 4.32Å; L94-I129 HydrophobicContact CD2-CD1 4.16Å; L94-I129 HydrophobicContact CD2-CG2 3.89Å; I96-I129 HydrophobicContact CD1-CD1 3.74Å; I96-I129 HydrophobicContact CG1-CD1 3.86Å; V120-I129 HydrophobicContact CG1-CG2 3.79Å; S121-I129 WeakPolarHBondContact O-CA 3.41Å; W122-I129 HydrophobicContact CD2-CD1 4.36Å; W122-I129 HydrophobicContact CD2-CG1 3.88Å; W122-I129 HydrophobicContact CE3-CD1 4.14Å; W122-I129 HydrophobicContact CE3-CG1 3.61Å; W122-I129 HydrophobicContact CH2-CD1 3.57Å; W122-I129 HydrophobicContact CH2-CG1 4.01Å; W122-I129 HydrophobicContact CZ2-CD1 3.79Å; W122-I129 HydrophobicContact CZ2-CG1 4.23Å; W122-I129 HydrophobicContact CZ3-CD1 3.75Å; W122-I129 HydrophobicContact CZ3-CG1 3.69Å; I129-V131 HydrophobicContact CG2-CG1 3.97Å; I129-V142 WeakPolarHBondContact O-CA 3.26Å; I129-F143 HydrophobicContact CB-CE2 4.18Å; I129-F143 HydrophobicContact CB-CZ 4.11Å; I129-F143 HydrophobicContact CD1-CE2 4.47Å; I129-F143 HydrophobicContact CG2-CZ 4.15Å; I129-F143 PolarHBondContact N-O 2.92Å; I129-F143 PolarHBondContact O-N 2.61Å; I129-F145 HydrophobicContact CD1-CB 4.11Å; I129-F145 HydrophobicContact CD1-CD2 4.01Å; I129-F145 HydrophobicContact CD1-CG 4.43Å; I129-F145 HydrophobicContact CG1-CB 4.22Å
130	A	98.5	Very high	95.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134	167.7	0	0	0	0	0	108.4	V120 S121 H141 V142 I164 F166 L174	V120-A130 CarbonylContact C-O 3.45Å; V120-A130 WeakPolarHBondContact CA-O 3.34Å; S121-A130 PolarHBondContact N-O 2.83Å; S121-A130 PolarHBondContact O-N 2.75Å; A130-H141 CarbonylContact C-O 3.52Å; A130-H141 WeakPolarHBondContact CA-O 3.36Å; A130-V142 HydrophobicContact CB-CB 4.15Å; A130-V142 HydrophobicContact CB-CG2 4.16Å; A130-I164 HydrophobicContact CB-CD1 3.6Å; A130-I164 HydrophobicContact CB-CG1 4.18Å; A130-F166 HydrophobicContact CB-CD2 4.28Å; A130-F166 HydrophobicContact CB-CE2 3.52Å; A130-F166 HydrophobicContact CB-CZ 3.87Å; A130-L174 HydrophobicContact CB-CD1 4.03Å; A130-L174 HydrophobicContact CB-CD2 3.65Å
131	V	98.3	Very high	95.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.7	177.2	-55.2	0	0	0	0	109.5	L94 P112 L113 I117 V120 I129 A140 H141 F143	L94-V131 HydrophobicContact CD1-CG1 4.13Å; L94-V131 HydrophobicContact CD2-CG1 4.07Å; P112-V131 HydrophobicContact CB-CG2 3.54Å; P112-V131 HydrophobicContact CG-CB 4.44Å; P112-V131 HydrophobicContact CG-CG1 4.22Å; P112-V131 HydrophobicContact CG-CG2 3.62Å; L113-V131 HydrophobicContact CD1-CG2 4.39Å; L113-V131 HydrophobicContact CG-CG2 4.18Å; I117-V131 HydrophobicContact CG2-CB 4.38Å; V120-V131 HydrophobicContact CG1-CG1 4.49Å; V120-V131 HydrophobicContact CG2-CG1 4.15Å; I129-V131 HydrophobicContact CG2-CG1 3.97Å; V131-A140 CarbonylContact O-C 3.43Å; V131-A140 WeakPolarHBondContact O-CA 3.47Å; V131-A140 VanDerWaalsContact O-CB 3.24Å; V131-A140 WeakPolarHBondContact O-CB 3.47Å; V131-H141 HydrophobicContact CG2-CB 4.09Å; V131-H141 PolarHBondContact N-O 2.85Å; V131-H141 PolarHBondContact O-N 2.98Å; V131-F143 HydrophobicContact CG1-CE1 4.22Å; V131-F143 HydrophobicContact CG2-CE1 4.48Å
132	A	97.8	Very high	95.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	150.1	174.6	0	0	0	0	0	110.3	R118 D119 F139 A140 I161 I164	R118-A132 PolarHBondContact N-O 3.29Å; D119-A132 PolarHBondContact N-O 3.18Å; D119-A132 VanDerWaalsContact N-O 3.09Å; D119-A132 PolarHBondContact O-N 2.71Å; A132-F139 CarbonylContact C-O 3.55Å; A132-F139 WeakPolarHBondContact CA-O 3.29Å; A132-A140 HydrophobicContact CB-CB 4.37Å; A132-I161 HydrophobicContact CB-CB 3.85Å; A132-I161 HydrophobicContact CB-CG2 3.45Å; A132-I161 VanDerWaalsContact CB-CG2 3.45Å; A132-I164 HydrophobicContact CB-CB 3.74Å; A132-I164 HydrophobicContact CB-CD1 4.38Å; A132-I164 HydrophobicContact CB-CG2 3.72Å
133	G	97.5	Very high	95.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.7	-147.5	176	0	0	0	0	0	113.8	A116 F139 I161	A116-G133 VanDerWaalsContact O-CA 3.31Å; A116-G133 WeakPolarHBondContact O-CA 3.1Å; G133-F139 PolarHBondContact N-O 3.34Å; G133-I161 VanDerWaalsContact CA-O 3.32Å; G133-I161 WeakPolarHBondContact CA-O 3.46Å; G133-I161 PolarHBondContact N-O 2.93Å; G133-I161 PolarHBondContact O-N 3Å; G133-I161 VanDerWaalsContact O-N 3.09Å
134	D	93	Very high	95.4	Very high	66 Å²	66	47.8 Å²	47.8	35%	0.353	22%	0.223	S	C	.	.			trans	-98.3	124.2	175.9	-161.2	-23.4	0	0	0	108.4	A115 A116 A160	A115-D134 CarbonylContact C-O 3.59Å; A115-D134 WeakPolarHBondContact CA-O 3.48Å; A115-D134 HydrophobicContact CB-CB 4.33Å; A115-D134 VanDerWaalsContact CB-O 3.27Å; A115-D134 WeakPolarHBondContact CB-O 3.25Å; A115-D134 PolarHBondContact N-O 3.46Å; A116-D134 PolarHBondContact O-N 2.81Å; D134-A160 HydrophobicContact CB-CB 4.44Å
135	G	85.6	Confident	95.4	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.021	21%	0.205	C	C	.	.			trans	-154.3	140.3	179.2	0	0	0	0	0	110.3	R138 F139	G135-R138 CarbonylContact C-O 3.56Å; G135-R138 VanDerWaalsContact CA-O 3.27Å; G135-R138 WeakPolarHBondContact CA-O 3.45Å; G135-F139 WeakPolarHBondContact O-CD1 3.3Å; G135-F139 WeakPolarHBondContact O-CE1 3.5Å
136	R	86	Confident	95.5	Very high	233 Å²	233	46.5 Å²	46.5	88%	0.879	21%	0.206	S	C	*	.	S	Bend	trans	-69	-40.6	-176.3	-66.4	-177.3	-177.1	177.7	1	112.7
137	E	88.5	Confident	95.5	Very high	179 Å²	179	48.7 Å²	48.7	84%	0.836	22%	0.222	S	C	*	.	S	Bend	trans	-94.9	-32	-176.1	-62.1	179.5	176.7	0	0	112.7
138	R	93.9	Very high	95.5	Very high	105 Å²	105	44.9 Å²	44.9	40%	0.396	21%	0.21	S	C	.	.			trans	-155.2	146.5	179.9	55.8	-177.4	145.6	-161.9	-9.7	109.7	L113 G135 H141	L113-R138 HydrophobicContact CD2-CG 4.24Å; L113-R138 WeakPolarHBondContact CD2-O 3.43Å; G135-R138 CarbonylContact C-O 3.56Å; G135-R138 VanDerWaalsContact CA-O 3.27Å; G135-R138 WeakPolarHBondContact CA-O 3.45Å; R138-H141 PolarHBondContact NH1-CD2 3.39Å; R138-H141 VanDerWaalsContact NH1-CD2 3.35Å; R138-H141 PolarHBondContact NH1-NE2 3.34Å
139	F	97.1	Very high	95.5	Very high	49 Å²	49	47.5 Å²	47.5	22%	0.215	23%	0.229	C	C	.	.	S	Bend	trans	-95.6	-13.4	179.1	-55.6	-66.2	0	0	0	113.5	A132 G133 G135 T158 K159 I161	A132-F139 CarbonylContact C-O 3.55Å; A132-F139 WeakPolarHBondContact CA-O 3.29Å; G133-F139 PolarHBondContact N-O 3.34Å; G135-F139 WeakPolarHBondContact O-CD1 3.3Å; G135-F139 WeakPolarHBondContact O-CE1 3.5Å; F139-T158 VanDerWaalsContact CE2-C 3.48Å; F139-K159 WeakPolarHBondContact CD2-O 3.14Å; F139-K159 WeakPolarHBondContact CG-O 3.46Å; F139-I161 HydrophobicContact CB-CB 4.31Å; F139-I161 HydrophobicContact CB-CD1 3.7Å; F139-I161 HydrophobicContact CB-CG1 3.66Å
140	A	97.8	Very high	95.4	Very high	2 Å²	2	50.5 Å²	50.5	2%	0.017	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.7	175.8	0	0	0	0	0	111.7	V131 A132 L154 I161 I164	V131-A140 CarbonylContact O-C 3.43Å; V131-A140 WeakPolarHBondContact O-CA 3.47Å; V131-A140 VanDerWaalsContact O-CB 3.24Å; V131-A140 WeakPolarHBondContact O-CB 3.47Å; A132-A140 HydrophobicContact CB-CB 4.37Å; A140-L154 HydrophobicContact CB-CB 3.92Å; A140-L154 HydrophobicContact CB-CD1 3.7Å; A140-L154 HydrophobicContact CB-CG 4.47Å; A140-I161 HydrophobicContact CB-CD1 3.67Å; A140-I164 HydrophobicContact CB-CD1 4.39Å
141	H	97.8	Very high	95.4	Very high	21 Å²	21	51.8 Å²	51.8	10%	0.097	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	140.4	176.7	-171.1	-136.8	0	0	0	110.6	P112 A130 V131 R138 F143 S150	P112-H141 HydrophobicContact CB-CB 4.19Å; A130-H141 CarbonylContact C-O 3.52Å; A130-H141 WeakPolarHBondContact CA-O 3.36Å; V131-H141 HydrophobicContact CG2-CB 4.09Å; V131-H141 PolarHBondContact N-O 2.85Å; V131-H141 PolarHBondContact O-N 2.98Å; R138-H141 PolarHBondContact NH1-CD2 3.39Å; R138-H141 VanDerWaalsContact NH1-CD2 3.35Å; R138-H141 PolarHBondContact NH1-NE2 3.34Å; H141-F143 AromaticContact CE1-CD1 3.9Å; H141-F143 AromaticContact ND1-CD1 3.44Å; H141-F143 WeakPolarHBondContact ND1-CD1 3.49Å; H141-S150 PolarHBondContact NE2-OG 3.24Å
142	V	98.3	Very high	95.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.9	174.7	59.3	0	0	0	0	110.1	I129 A130 N151 L154 F166 L174 F191	I129-V142 WeakPolarHBondContact O-CA 3.26Å; A130-V142 HydrophobicContact CB-CB 4.15Å; A130-V142 HydrophobicContact CB-CG2 4.16Å; V142-N151 HydrophobicContact CG2-CB 4.47Å; V142-N151 PolarHBondContact O-N 3.28Å; V142-L154 HydrophobicContact CB-CD1 4.11Å; V142-L154 HydrophobicContact CG1-CD1 4.18Å; V142-L154 HydrophobicContact CG1-CD2 4.19Å; V142-L154 HydrophobicContact CG1-CG 4.04Å; V142-F166 HydrophobicContact CG2-CZ 3.82Å; V142-L174 HydrophobicContact CB-CD1 4.06Å; V142-L174 HydrophobicContact CG1-CD1 4.33Å; V142-L174 HydrophobicContact CG2-CD1 3.99Å; V142-F191 HydrophobicContact CG1-CB 4.03Å; V142-F191 HydrophobicContact CG1-CD2 3.97Å; V142-F191 HydrophobicContact CG1-CG 4.33Å; V142-F191 HydrophobicContact CG2-CD2 3.87Å; V142-F191 HydrophobicContact CG2-CE2 4.17Å
143	F	98.1	Very high	95.2	Very high	3 Å²	3	57 Å²	57	1%	0.013	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	164.4	-174.6	56.6	-86.8	0	0	0	111.8	L94 Y110 P112 R128 I129 V131 H141 T149	L94-F143 HydrophobicContact CD2-CE2 4.43Å; L94-F143 HydrophobicContact CD2-CZ 3.68Å; Y110-F143 HydrophobicContact CD2-CD2 4.41Å; Y110-F143 AromaticContact CD2-CE2 3.57Å; Y110-F143 HydrophobicContact CD2-CE2 3.57Å; Y110-F143 HydrophobicContact CD2-CZ 4.17Å; Y110-F143 AromaticContact CE2-CE2 3.92Å; Y110-F143 HydrophobicContact CE2-CE2 3.92Å; Y110-F143 HydrophobicContact CG-CE2 4.19Å; P112-F143 HydrophobicContact CB-CE1 3.9Å; P112-F143 HydrophobicContact CG-CE1 4.37Å; R128-F143 WeakPolarHBondContact CA-O 3.48Å; I129-F143 HydrophobicContact CB-CE2 4.18Å; I129-F143 HydrophobicContact CB-CZ 4.11Å; I129-F143 HydrophobicContact CD1-CE2 4.47Å; I129-F143 HydrophobicContact CG2-CZ 4.15Å; I129-F143 PolarHBondContact N-O 2.92Å; I129-F143 PolarHBondContact O-N 2.61Å; V131-F143 HydrophobicContact CG1-CE1 4.22Å; V131-F143 HydrophobicContact CG2-CE1 4.48Å; H141-F143 AromaticContact CE1-CD1 3.9Å; H141-F143 AromaticContact ND1-CD1 3.44Å; H141-F143 WeakPolarHBondContact ND1-CD1 3.49Å; F143-T149 CarbonylContact C-O 3.53Å; F143-T149 WeakPolarHBondContact CA-O 3.44Å; F143-T149 VanDerWaalsContact CB-O 3.3Å; F143-T149 WeakPolarHBondContact CB-O 3.37Å
144	L	97.9	Very high	95.2	Very high	49 Å²	49	57.4 Å²	57.4	26%	0.257	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	129.1	173.6	-64.2	176.5	0	0	0	110.2	Q127 R128 E146 T147 G148 T149	Q127-L144 CarbonylContact O-C 3.59Å; Q127-L144 WeakPolarHBondContact O-CA 3.34Å; R128-L144 HydrophobicContact CG-CD2 3.88Å; L144-E146 PolarHBondContact O-N 2.89Å; L144-T147 PolarHBondContact O-N 3.17Å; L144-G148 WeakPolarHBondContact O-CA 3.32Å; L144-G148 PolarHBondContact O-N 2.88Å; L144-T149 PolarHBondContact N-O 3.46Å
145	F	96	Very high	95.1	Very high	7 Å²	7	57.7 Å²	57.7	3%	0.031	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-48.6	-178	156.1	-123.5	0	0	0	112.5	Y84 I96 K107 K108 Y110 W122 Q127 I129	Y84-F145 HydrophobicContact CD2-CE1 4.45Å; Y84-F145 HydrophobicContact CD2-CZ 4.28Å; Y84-F145 HydrophobicContact CE2-CE1 4.33Å; Y84-F145 HydrophobicContact CE2-CZ 4.29Å; Y84-F145 HydrophobicContact CG-CZ 4.47Å; I96-F145 HydrophobicContact CB-CD2 4.49Å; I96-F145 HydrophobicContact CB-CE2 3.95Å; I96-F145 HydrophobicContact CD1-CD2 3.87Å; I96-F145 HydrophobicContact CD1-CE2 4.07Å; I96-F145 HydrophobicContact CG1-CD2 4.26Å; I96-F145 HydrophobicContact CG1-CE2 4.23Å; I96-F145 HydrophobicContact CG2-CD2 4.15Å; I96-F145 HydrophobicContact CG2-CE2 3.44Å; I96-F145 VanDerWaalsContact CG2-CE2 3.44Å; I96-F145 HydrophobicContact CG2-CZ 4.16Å; K107-F145 HydrophobicContact CG-CE2 4.34Å; K107-F145 HydrophobicContact CG-CZ 3.97Å; K108-F145 HydrophobicContact CG-CE2 4.32Å; Y110-F145 WeakPolarHBondContact CE2-O 3.33Å; Y110-F145 PolarHBondContact OH-O 3.41Å; W122-F145 HydrophobicContact CH2-CB 4.48Å; W122-F145 HydrophobicContact CH2-CD1 4.4Å; W122-F145 AromaticContact CH2-CD2 3.72Å; W122-F145 HydrophobicContact CH2-CD2 3.72Å; W122-F145 HydrophobicContact CH2-CE2 4.07Å; W122-F145 AromaticContact CH2-CG 3.93Å; W122-F145 HydrophobicContact CH2-CG 3.93Å; W122-F145 HydrophobicContact CZ3-CB 3.92Å; W122-F145 HydrophobicContact CZ3-CD1 4.1Å; W122-F145 HydrophobicContact CZ3-CD2 4Å; W122-F145 AromaticContact CZ3-CG 3.71Å; W122-F145 HydrophobicContact CZ3-CG 3.71Å; Q127-F145 PolarHBondContact O-N 3.3Å; I129-F145 HydrophobicContact CD1-CB 4.11Å; I129-F145 HydrophobicContact CD1-CD2 4.01Å; I129-F145 HydrophobicContact CD1-CG 4.43Å; I129-F145 HydrophobicContact CG1-CB 4.22Å
146	E	95.2	Very high	95.2	Very high	89 Å²	89	59.6 Å²	59.6	42%	0.416	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-34.8	-172.5	-73.2	-66.1	171.7	0	0	114	K108 Y110 L144	K108-E146 VanDerWaalsContact CE-O 3.28Å; K108-E146 WeakPolarHBondContact CE-O 3.42Å; K108-E146 PolarHBondContact NZ-O 2.92Å; Y110-E146 PolarHBondContact OH-O 2.8Å; L144-E146 PolarHBondContact O-N 2.89Å
147	T	96.1	Very high	95.7	Very high	88 Å²	88	49.3 Å²	49.3	54%	0.54	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-15.9	-170.3	63.9	0	0	0	0	114.3	L144 T149	L144-T147 PolarHBondContact O-N 3.17Å; T147-T149 WeakPolarHBondContact CB-OG1 3.46Å; T147-T149 PolarHBondContact O-N 3.16Å; T147-T149 WeakPolarHBondContact OG1-CB 3.44Å; T147-T149 PolarHBondContact OG1-N 2.83Å; T147-T149 PolarHBondContact OG1-OG1 3.17Å
148	G	95.7	Very high	96	Very high	23 Å²	23	45.9 Å²	45.9	24%	0.237	27%	0.27	C	S	.	.			trans	71.4	4.4	-172.1	0	0	0	0	0	113.8	Y110 L144 S150	Y110-G148 PolarHBondContact OH-N 2.93Å; Y110-G148 VanDerWaalsContact OH-N 3.15Å; L144-G148 WeakPolarHBondContact O-CA 3.32Å; L144-G148 PolarHBondContact O-N 2.88Å; G148-S150 PolarHBondContact O-N 2.9Å
149	T	97.5	Very high	96.1	Very high	81 Å²	81	45.7 Å²	45.7	50%	0.497	27%	0.272	S	S	.	.			trans	-66.2	127.3	-178.4	-50.3	0	0	0	0	109.9	F143 L144 T147 N151	F143-T149 CarbonylContact C-O 3.53Å; F143-T149 WeakPolarHBondContact CA-O 3.44Å; F143-T149 VanDerWaalsContact CB-O 3.3Å; F143-T149 WeakPolarHBondContact CB-O 3.37Å; L144-T149 PolarHBondContact N-O 3.46Å; T147-T149 WeakPolarHBondContact CB-OG1 3.46Å; T147-T149 PolarHBondContact O-N 3.16Å; T147-T149 WeakPolarHBondContact OG1-CB 3.44Å; T147-T149 PolarHBondContact OG1-N 2.83Å; T147-T149 PolarHBondContact OG1-OG1 3.17Å; T149-N151 PolarHBondContact O-N 3.46Å
150	S	97.7	Very high	96	Very high	63 Å²	63	43.7 Å²	43.7	44%	0.441	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-54.8	134.3	176.6	-171.6	0	0	0	0	110.8	H141 G148 G152	H141-S150 PolarHBondContact NE2-OG 3.24Å; G148-S150 PolarHBondContact O-N 2.9Å; S150-G152 PolarHBondContact OG-O 2.9Å
151	N	97.5	Very high	96.1	Very high	28 Å²	28	43.7 Å²	43.7	15%	0.15	26%	0.264	C	S	.	.			trans	-118.6	25.8	-177.8	-159.9	-126.1	0	0	0	112.3	R128 V142 T149 P189 P190 F191	R128-N151 WeakPolarHBondContact CD-OD1 3.29Å; R128-N151 PolarHBondContact NE-OD1 3.29Å; V142-N151 HydrophobicContact CG2-CB 4.47Å; V142-N151 PolarHBondContact O-N 3.28Å; T149-N151 PolarHBondContact O-N 3.46Å; N151-P189 VanDerWaalsContact OD1-CB 3.27Å; N151-P189 WeakPolarHBondContact OD1-CB 3.34Å; N151-P190 CarbonylContact O-C 3.55Å; N151-P190 WeakPolarHBondContact O-CA 3.5Å; N151-F191 WeakPolarHBondContact O-CD2 3.25Å; N151-F191 PolarHBondContact O-N 3.16Å
152	G	96.8	Very high	96	Very high	15 Å²	15	43 Å²	43	16%	0.155	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	148.9	178.7	178.6	0	0	0	0	0	112.8	S150 F191	S150-G152 PolarHBondContact OG-O 2.9Å; G152-F191 CarbonylContact C-O 3.55Å; G152-F191 WeakPolarHBondContact CA-O 3.39Å
153	N	95.5	Very high	96	Very high	93 Å²	93	43 Å²	43	50%	0.497	26%	0.261	S	S	.	.			trans	-123.6	123.4	175.8	-168.3	2.7	0	0	0	110.7	C155 F191	N153-C155 VanDerWaalsContact CG-SG 3.57Å; N153-C155 PolarHBondContact ND2-SG 3.12Å; N153-C155 VanDerWaalsContact ND2-SG 3.39Å; N153-C155 PolarHBondContact OD1-SG 3.32Å; N153-F191 PolarHBondContact N-O 2.66Å
154	L	96.5	Very high	96	Very high	10 Å²	10	42.9 Å²	42.9	5%	0.052	26%	0.261	C	S	.	.			trans	-102.5	46.7	-177.6	-56.6	-179.4	0	0	0	111.5	A140 V142 I164 L174 F186 F191	A140-L154 HydrophobicContact CB-CB 3.92Å; A140-L154 HydrophobicContact CB-CD1 3.7Å; A140-L154 HydrophobicContact CB-CG 4.47Å; V142-L154 HydrophobicContact CB-CD1 4.11Å; V142-L154 HydrophobicContact CG1-CD1 4.18Å; V142-L154 HydrophobicContact CG1-CD2 4.19Å; V142-L154 HydrophobicContact CG1-CG 4.04Å; L154-I164 HydrophobicContact CD1-CD1 3.83Å; L154-L174 HydrophobicContact CD1-CD1 4.2Å; L154-L174 HydrophobicContact CD2-CD1 3.85Å; L154-F186 VanDerWaalsContact CA-CE1 3.49Å; L154-F186 HydrophobicContact CB-CD1 4.47Å; L154-F186 HydrophobicContact CB-CE1 4.07Å; L154-F186 HydrophobicContact CB-CZ 4.22Å; L154-F186 HydrophobicContact CD2-CB 4.05Å; L154-F186 HydrophobicContact CD2-CD1 3.6Å; L154-F186 HydrophobicContact CD2-CD2 3.99Å; L154-F186 HydrophobicContact CD2-CE1 4.04Å; L154-F186 HydrophobicContact CD2-CE2 4.38Å; L154-F186 HydrophobicContact CD2-CG 3.6Å; L154-F186 HydrophobicContact CD2-CZ 4.41Å; L154-F191 HydrophobicContact CD2-CB 4.08Å
155	C	92.1	Very high	96	Very high	72 Å²	72	41.8 Å²	41.8	49%	0.486	26%	0.255	S	S	.	.			trans	-82.4	152.6	174.4	-71.5	0	0	0	0	111.9	N153 F186	N153-C155 VanDerWaalsContact CG-SG 3.57Å; N153-C155 PolarHBondContact ND2-SG 3.12Å; N153-C155 VanDerWaalsContact ND2-SG 3.39Å; N153-C155 PolarHBondContact OD1-SG 3.32Å; C155-F186 WeakPolarHBondContact O-CE1 3.35Å
156	G	88.2	Confident	96.1	Very high	42 Å²	42	41.7 Å²	41.7	43%	0.433	26%	0.255	S	S	.	.			trans	142.7	-29	172.5	0	0	0	0	0	113.3
157	Q	95.4	Very high	96.2	Very high	16 Å²	16	38 Å²	38	8%	0.075	24%	0.237	C	C	.	.			trans	-94.9	145.2	175.8	-63.4	-178.4	-58.3	0	0	110.6	I161 T176 S178 D180 S182 A184	Q157-I161 HydrophobicContact CB-CD1 4.4Å; Q157-I161 HydrophobicContact CB-CG1 4.41Å; Q157-I161 VanDerWaalsContact OE1-CD1 3.23Å; Q157-T176 PolarHBondContact OE1-OG1 3.44Å; Q157-S178 VanDerWaalsContact CD-CB 3.44Å; Q157-D180 VanDerWaalsContact CA-OD2 3.3Å; Q157-D180 WeakPolarHBondContact CA-OD2 3.38Å; Q157-D180 WeakPolarHBondContact CB-OD2 3.42Å; Q157-S182 PolarHBondContact NE2-O 3.47Å; Q157-S182 VanDerWaalsContact NE2-O 3.11Å; Q157-S182 PolarHBondContact NE2-OG 3.42Å; Q157-A184 HydrophobicContact CG-CB 4.21Å
158	T	94.5	Very high	96.2	Very high	108 Å²	108	36.1 Å²	36.1	66%	0.663	23%	0.226	S	C	*	.	S	Bend	trans	-104.5	-8.1	-167.8	57.9	0	0	0	0	114	F139 D180	F139-T158 VanDerWaalsContact CE2-C 3.48Å; T158-D180 PolarHBondContact N-OD2 2.78Å; T158-D180 WeakPolarHBondContact OG1-CB 3.35Å; T158-D180 PolarHBondContact OG1-OD2 3.01Å
159	K	96	Very high	96.1	Very high	101 Å²	101	37.5 Å²	37.5	44%	0.439	23%	0.23	S	C	.	.	S	Bend	trans	-132.6	174.4	177.1	-65.7	-172.5	176.7	-177.7	0	111	F139 I161 S178 E179 D180	F139-K159 WeakPolarHBondContact CD2-O 3.14Å; F139-K159 WeakPolarHBondContact CG-O 3.46Å; K159-I161 PolarHBondContact O-N 3.36Å; K159-S178 PolarHBondContact O-OG 2.92Å; K159-E179 HydrophobicContact CB-CB 3.98Å; K159-E179 HydrophobicContact CD-CB 4.24Å; K159-D180 HydrophobicContact CB-CB 4.11Å; K159-D180 HydrophobicContact CD-CB 4.3Å; K159-D180 HydrophobicContact CG-CB 4.1Å
160	A	96.6	Very high	96	Very high	6 Å²	6	42.3 Å²	42.3	5%	0.05	24%	0.244	C	C	.	.			trans	-47.2	139.2	178.1	0	0	0	0	0	112.1	D134 S178 E179	D134-A160 HydrophobicContact CB-CB 4.44Å; A160-S178 WeakPolarHBondContact O-CA 3.42Å; A160-S178 PolarHBondContact O-OG 3.02Å; A160-E179 HydrophobicContact CB-CG 4.44Å; A160-E179 PolarHBondContact O-N 2.98Å
161	I	97.9	Very high	95.9	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.2	178.5	-62.6	173.6	0	0	0	107.6	A132 G133 F139 A140 Q157 K159 S163 T176 A177	A132-I161 HydrophobicContact CB-CB 3.85Å; A132-I161 HydrophobicContact CB-CG2 3.45Å; A132-I161 VanDerWaalsContact CB-CG2 3.45Å; G133-I161 VanDerWaalsContact CA-O 3.32Å; G133-I161 WeakPolarHBondContact CA-O 3.46Å; G133-I161 PolarHBondContact N-O 2.93Å; G133-I161 PolarHBondContact O-N 3Å; G133-I161 VanDerWaalsContact O-N 3.09Å; F139-I161 HydrophobicContact CB-CB 4.31Å; F139-I161 HydrophobicContact CB-CD1 3.7Å; F139-I161 HydrophobicContact CB-CG1 3.66Å; A140-I161 HydrophobicContact CB-CD1 3.67Å; Q157-I161 HydrophobicContact CB-CD1 4.4Å; Q157-I161 HydrophobicContact CB-CG1 4.41Å; Q157-I161 VanDerWaalsContact OE1-CD1 3.23Å; K159-I161 PolarHBondContact O-N 3.36Å; I161-S163 WeakPolarHBondContact CG2-O 3.48Å; I161-T176 HydrophobicContact CD1-CG2 4.41Å; I161-T176 HydrophobicContact CG2-CG2 4.02Å; I161-A177 CarbonylContact C-O 3.6Å; I161-A177 WeakPolarHBondContact CG2-O 3.48Å
162	N	97.1	Very high	95.9	Very high	6 Å²	6	42 Å²	42	3%	0.032	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-35.4	-176.3	-67.8	-38.7	0	0	0	112.5	R118 A177 E179 A204 Q205	R118-N162 PolarHBondContact NH1-OD1 3.31Å; N162-A177 PolarHBondContact N-O 3.21Å; N162-E179 WeakPolarHBondContact ND2-CG 3.3Å; N162-A204 PolarHBondContact ND2-O 3.15Å; N162-Q205 WeakPolarHBondContact CB-O 3.26Å; N162-Q205 PolarHBondContact ND2-OE1 2.9Å
163	S	98.1	Very high	96	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.014	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	146.5	-172.5	-173.6	0	0	0	0	111.8	D119 I161 T176 A177 Q205 V207 R208	D119-S163 WeakPolarHBondContact OD2-CA 3.36Å; D119-S163 PolarHBondContact OD2-OG 2.93Å; I161-S163 WeakPolarHBondContact CG2-O 3.48Å; S163-T176 CarbonylContact O-C 3.5Å; S163-T176 VanDerWaalsContact O-CA 3.26Å; S163-T176 WeakPolarHBondContact O-CA 3.27Å; S163-A177 PolarHBondContact N-O 2.74Å; S163-A177 PolarHBondContact O-N 3.08Å; S163-Q205 WeakPolarHBondContact CB-O 3.39Å; S163-V207 PolarHBondContact OG-N 3.3Å; S163-V207 PolarHBondContact OG-O 2.89Å; S163-R208 PolarHBondContact OG-NH1 3.44Å
164	I	98.1	Very high	96.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144	178.5	-170	159.9	0	0	0	110.2	D119 A130 A132 A140 L154 L174 V175 T176 R208	D119-I164 HydrophobicContact CB-CG2 4.14Å; D119-I164 PolarHBondContact OD2-N 3.3Å; D119-I164 VanDerWaalsContact OD2-N 3.11Å; A130-I164 HydrophobicContact CB-CD1 3.6Å; A130-I164 HydrophobicContact CB-CG1 4.18Å; A132-I164 HydrophobicContact CB-CB 3.74Å; A132-I164 HydrophobicContact CB-CD1 4.38Å; A132-I164 HydrophobicContact CB-CG2 3.72Å; A140-I164 HydrophobicContact CB-CD1 4.39Å; L154-I164 HydrophobicContact CD1-CD1 3.83Å; I164-L174 HydrophobicContact CD1-CD2 4.3Å; I164-L174 HydrophobicContact CG1-CD2 4.07Å; I164-V175 CarbonylContact C-O 3.59Å; I164-V175 VanDerWaalsContact CA-O 3.29Å; I164-V175 WeakPolarHBondContact CA-O 3.3Å; I164-T176 HydrophobicContact CB-CG2 4.22Å; I164-T176 HydrophobicContact CD1-CG2 3.83Å; I164-T176 HydrophobicContact CG1-CG2 3.81Å; I164-R208 PolarHBondContact O-NH1 3.27Å; I164-R208 VanDerWaalsContact O-NH1 3.16Å
165	D	98.3	Very high	96.2	Very high	25 Å²	25	37.4 Å²	37.4	13%	0.134	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	144	174.5	-156.4	22.5	0	0	0	114.1	S121 L174 V175 R208 Y209	S121-D165 PolarHBondContact OG-OD1 2.89Å; D165-L174 WeakPolarHBondContact O-CA 3.49Å; D165-V175 HydrophobicContact CB-CG2 4.05Å; D165-V175 PolarHBondContact N-O 3.25Å; D165-V175 PolarHBondContact O-N 2.76Å; D165-R208 WeakPolarHBondContact OD2-CA 3.35Å; D165-Y209 HydrophobicContact CB-CD2 4.42Å; D165-Y209 PolarHBondContact OD2-N 2.83Å
166	F	98.1	Very high	96.5	Very high	6 Å²	6	34 Å²	34	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	140.7	173	-88	-75.5	0	0	0	110.8	S121 R128 A130 V142 L174 F191 Y209	S121-F166 WeakPolarHBondContact O-CE2 3.16Å; S121-F166 PolarHBondContact OG-N 3.28Å; S121-F166 VanDerWaalsContact OG-N 3.08Å; R128-F166 HydrophobicContact CB-CE2 4.41Å; R128-F166 HydrophobicContact CB-CZ 3.85Å; A130-F166 HydrophobicContact CB-CD2 4.28Å; A130-F166 HydrophobicContact CB-CE2 3.52Å; A130-F166 HydrophobicContact CB-CZ 3.87Å; V142-F166 HydrophobicContact CG2-CZ 3.82Å; F166-L174 HydrophobicContact CB-CD2 4.34Å; F166-L174 HydrophobicContact CD1-CD1 4.49Å; F166-L174 HydrophobicContact CD1-CD2 3.47Å; F166-L174 VanDerWaalsContact CD1-CD2 3.47Å; F166-L174 HydrophobicContact CD1-CG 3.74Å; F166-L174 HydrophobicContact CD2-CD2 3.74Å; F166-L174 HydrophobicContact CE1-CD1 3.88Å; F166-L174 HydrophobicContact CE1-CD2 3.57Å; F166-L174 HydrophobicContact CE1-CG 3.62Å; F166-L174 HydrophobicContact CE2-CD2 3.86Å; F166-L174 HydrophobicContact CG-CD2 3.56Å; F166-L174 HydrophobicContact CG-CG 4.34Å; F166-L174 HydrophobicContact CZ-CD1 4.08Å; F166-L174 HydrophobicContact CZ-CD2 3.78Å; F166-L174 HydrophobicContact CZ-CG 4.15Å; F166-F191 HydrophobicContact CD1-CZ 4.18Å; F166-F191 HydrophobicContact CE1-CE1 4.23Å; F166-F191 AromaticContact CE1-CE2 3.77Å; F166-F191 HydrophobicContact CE1-CE2 3.77Å; F166-F191 AromaticContact CE1-CZ 3.51Å; F166-F191 HydrophobicContact CE1-CZ 3.51Å; F166-F191 HydrophobicContact CZ-CE2 4.43Å; F166-Y209 VanDerWaalsContact C-CD2 3.47Å; F166-Y209 WeakPolarHBondContact O-CD2 3.34Å
167	R	97.5	Very high	96.9	Very high	12 Å²	12	32 Å²	32	5%	0.045	17%	0.167	C	C	.	.			trans	-66.8	126.3	162.3	-169.5	169.8	-179.3	-98.1	-6.1	108.9	T169 K170 P171 R173 Y209 G213	R167-T169 PolarHBondContact NH1-O 2.91Å; R167-T169 VanDerWaalsContact NH1-O 3.08Å; R167-T169 PolarHBondContact NH2-OG1 3.26Å; R167-T169 PolarHBondContact O-N 2.74Å; R167-K170 PolarHBondContact NH1-O 2.86Å; R167-P171 WeakPolarHBondContact CD-O 3.25Å; R167-P171 PolarHBondContact NH1-O 2.79Å; R167-R173 HydrophobicContact CB-CB 3.9Å; R167-R173 PolarHBondContact N-O 2.91Å; R167-Y209 HydrophobicContact CB-CD1 4.12Å; R167-Y209 HydrophobicContact CB-CD2 4.09Å; R167-Y209 HydrophobicContact CB-CE1 3.81Å; R167-Y209 HydrophobicContact CB-CE2 3.76Å; R167-Y209 HydrophobicContact CB-CG 4.26Å; R167-Y209 HydrophobicContact CG-CD1 3.92Å; R167-Y209 HydrophobicContact CG-CE1 3.69Å; R167-Y209 HydrophobicContact CG-CG 4.45Å; R167-G213 PolarHBondContact NE-O 2.96Å; R167-G213 PolarHBondContact NH2-O 2.97Å
168	P	94.8	Very high	97.1	Very high	47 Å²	47	31.2 Å²	31.2	31%	0.305	16%	0.164	S	C	.	.	S	Bend	trans	-71.1	-18.5	-175.8	26.8	-34.3	0	0	0	113.1	A124 P211	A124-P168 VanDerWaalsContact CB-O 3.29Å; A124-P168 WeakPolarHBondContact CB-O 3.33Å; P168-P211 VanDerWaalsContact CG-O 3.27Å; P168-P211 WeakPolarHBondContact CG-O 3.25Å
169	T	94.8	Very high	97.2	Very high	53 Å²	53	27.8 Å²	27.8	33%	0.325	14%	0.14	S	C	.	.	S	Bend	trans	-120.7	162.1	-175	55.8	0	0	0	0	112.3	R167 P171 S212	R167-T169 PolarHBondContact NH1-O 2.91Å; R167-T169 VanDerWaalsContact NH1-O 3.08Å; R167-T169 PolarHBondContact NH2-OG1 3.26Å; R167-T169 PolarHBondContact O-N 2.74Å; T169-P171 CarbonylContact O-C 3.44Å; T169-S212 VanDerWaalsContact CG2-O 3.26Å; T169-S212 WeakPolarHBondContact CG2-O 3.27Å; T169-S212 PolarHBondContact OG1-O 2.84Å
170	K	94.9	Very high	97.2	Very high	182 Å²	182	24 Å²	24	79%	0.791	12%	0.124	S	C	*	.	S	Bend	trans	-79.2	149.2	174.5	-70.5	-177	-179	178	0	111.3	R167 L172	R167-K170 PolarHBondContact NH1-O 2.86Å; K170-L172 HydrophobicContact CG-CG 4.45Å
171	P	96.2	Very high	97.2	Very high	62 Å²	62	25.9 Å²	25.9	40%	0.403	13%	0.134	S	C	.	.	S	Bend	cis	-63.9	139.6	-7.6	30.5	-37.9	0	0	0	111.8	R167 T169 T231	R167-P171 WeakPolarHBondContact CD-O 3.25Å; R167-P171 PolarHBondContact NH1-O 2.79Å; T169-P171 CarbonylContact O-C 3.44Å; P171-T231 HydrophobicContact CG-CG2 3.82Å
172	L	96.8	Very high	97.2	Very high	22 Å²	22	25.9 Å²	25.9	12%	0.115	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-68.7	140.5	-177.1	-68.3	174.7	0	0	0	110.4	K170 F191	K170-L172 HydrophobicContact CG-CG 4.45Å; L172-F191 HydrophobicContact CB-CE1 4.28Å; L172-F191 HydrophobicContact CB-CZ 4.07Å
173	R	97.8	Very high	97.2	Very high	22 Å²	22	25.8 Å²	25.8	8%	0.083	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	156.3	176.1	-62.6	-68.9	179.4	-99.5	5.4	109.4	R167 I185 F186 Y209 T231	R167-R173 HydrophobicContact CB-CB 3.9Å; R167-R173 PolarHBondContact N-O 2.91Å; R173-I185 HydrophobicContact CB-CD1 4.32Å; R173-I185 HydrophobicContact CB-CG1 4.27Å; R173-I185 HydrophobicContact CG-CD1 4.14Å; R173-I185 HydrophobicContact CG-CG1 4.45Å; R173-F186 VanDerWaalsContact CA-O 3.25Å; R173-F186 WeakPolarHBondContact CA-O 3.25Å; R173-F186 VanDerWaalsContact CD-O 3.28Å; R173-F186 WeakPolarHBondContact CD-O 3.46Å; R173-Y209 WeakPolarHBondContact CB-OH 3.21Å; R173-T231 PolarHBondContact NE-O 2.75Å
174	L	98.3	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142	164.6	-83.2	166.2	0	0	0	108.1	A130 V142 L154 I164 D165 F166 I185 F186 F191	A130-L174 HydrophobicContact CB-CD1 4.03Å; A130-L174 HydrophobicContact CB-CD2 3.65Å; V142-L174 HydrophobicContact CB-CD1 4.06Å; V142-L174 HydrophobicContact CG1-CD1 4.33Å; V142-L174 HydrophobicContact CG2-CD1 3.99Å; L154-L174 HydrophobicContact CD1-CD1 4.2Å; L154-L174 HydrophobicContact CD2-CD1 3.85Å; I164-L174 HydrophobicContact CD1-CD2 4.3Å; I164-L174 HydrophobicContact CG1-CD2 4.07Å; D165-L174 WeakPolarHBondContact O-CA 3.49Å; F166-L174 HydrophobicContact CB-CD2 4.34Å; F166-L174 HydrophobicContact CD1-CD1 4.49Å; F166-L174 HydrophobicContact CD1-CD2 3.47Å; F166-L174 VanDerWaalsContact CD1-CD2 3.47Å; F166-L174 HydrophobicContact CD1-CG 3.74Å; F166-L174 HydrophobicContact CD2-CD2 3.74Å; F166-L174 HydrophobicContact CE1-CD1 3.88Å; F166-L174 HydrophobicContact CE1-CD2 3.57Å; F166-L174 HydrophobicContact CE1-CG 3.62Å; F166-L174 HydrophobicContact CE2-CD2 3.86Å; F166-L174 HydrophobicContact CG-CD2 3.56Å; F166-L174 HydrophobicContact CG-CG 4.34Å; F166-L174 HydrophobicContact CZ-CD1 4.08Å; F166-L174 HydrophobicContact CZ-CD2 3.78Å; F166-L174 HydrophobicContact CZ-CG 4.15Å; L174-I185 CarbonylContact O-C 3.59Å; L174-I185 WeakPolarHBondContact O-CA 3.41Å; L174-F186 HydrophobicContact CB-CB 4.16Å; L174-F186 HydrophobicContact CB-CD2 4.24Å; L174-F186 PolarHBondContact N-O 3.25Å; L174-F186 PolarHBondContact O-N 2.98Å; L174-F191 HydrophobicContact CB-CD1 4.28Å; L174-F191 HydrophobicContact CB-CE1 4.46Å; L174-F191 HydrophobicContact CD1-CB 4.33Å; L174-F191 HydrophobicContact CD1-CD1 3.74Å; L174-F191 HydrophobicContact CD1-CD2 4.01Å; L174-F191 HydrophobicContact CD1-CE1 4.04Å; L174-F191 HydrophobicContact CD1-CE2 4.31Å; L174-F191 HydrophobicContact CD1-CG 3.73Å; L174-F191 HydrophobicContact CD1-CZ 4.34Å; L174-F191 HydrophobicContact CG-CD1 4.01Å; L174-F191 HydrophobicContact CG-CE1 3.95Å; L174-F191 HydrophobicContact CG-CG 4.49Å; L174-F191 HydrophobicContact CG-CZ 4.41Å
175	V	98.3	Very high	97.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	146.5	170.8	-67.1	0	0	0	0	110.3	I164 D165 A184 I185 V207 Y209 F216	I164-V175 CarbonylContact C-O 3.59Å; I164-V175 VanDerWaalsContact CA-O 3.29Å; I164-V175 WeakPolarHBondContact CA-O 3.3Å; D165-V175 HydrophobicContact CB-CG2 4.05Å; D165-V175 PolarHBondContact N-O 3.25Å; D165-V175 PolarHBondContact O-N 2.76Å; V175-A184 CarbonylContact C-O 3.46Å; V175-A184 WeakPolarHBondContact CA-O 3.38Å; V175-I185 HydrophobicContact CG1-CB 4.22Å; V175-I185 HydrophobicContact CG1-CD1 4.38Å; V175-I185 HydrophobicContact CG1-CG1 4Å; V175-V207 HydrophobicContact CG2-CB 4.01Å; V175-V207 HydrophobicContact CG2-CG2 3.98Å; V175-Y209 HydrophobicContact CB-CE2 4.08Å; V175-Y209 HydrophobicContact CG1-CE2 3.55Å; V175-Y209 WeakPolarHBondContact CG1-OH 3.38Å; V175-Y209 HydrophobicContact CG2-CD2 3.79Å; V175-Y209 HydrophobicContact CG2-CE2 3.51Å; V175-F216 HydrophobicContact CB-CD2 4.41Å; V175-F216 HydrophobicContact CB-CE2 4.44Å; V175-F216 HydrophobicContact CG1-CD1 3.82Å; V175-F216 HydrophobicContact CG1-CD2 4.12Å; V175-F216 HydrophobicContact CG1-CE1 3.74Å; V175-F216 HydrophobicContact CG1-CE2 4.06Å; V175-F216 HydrophobicContact CG1-CG 4.01Å; V175-F216 HydrophobicContact CG1-CZ 3.87Å; V175-F216 HydrophobicContact CG2-CD2 4.41Å; V175-F216 HydrophobicContact CG2-CG 4.47Å
176	T	98.4	Very high	97.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.7	178.1	58.9	0	0	0	0	111.9	Q157 I161 S163 I164 T183 A184 F186	Q157-T176 PolarHBondContact OE1-OG1 3.44Å; I161-T176 HydrophobicContact CD1-CG2 4.41Å; I161-T176 HydrophobicContact CG2-CG2 4.02Å; S163-T176 CarbonylContact O-C 3.5Å; S163-T176 VanDerWaalsContact O-CA 3.26Å; S163-T176 WeakPolarHBondContact O-CA 3.27Å; I164-T176 HydrophobicContact CB-CG2 4.22Å; I164-T176 HydrophobicContact CD1-CG2 3.83Å; I164-T176 HydrophobicContact CG1-CG2 3.81Å; T176-T183 CarbonylContact O-C 3.51Å; T176-T183 WeakPolarHBondContact O-CA 3.39Å; T176-A184 PolarHBondContact N-O 2.72Å; T176-A184 PolarHBondContact O-N 2.78Å; T176-F186 HydrophobicContact CG2-CE2 3.82Å; T176-F186 WeakPolarHBondContact OG1-CE2 3.38Å
177	A	98	Very high	97.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.1	170.8	0	0	0	0	0	110.4	I161 N162 S163 T183 A204 V207	I161-A177 CarbonylContact C-O 3.6Å; I161-A177 WeakPolarHBondContact CG2-O 3.48Å; N162-A177 PolarHBondContact N-O 3.21Å; S163-A177 PolarHBondContact N-O 2.74Å; S163-A177 PolarHBondContact O-N 3.08Å; A177-T183 HydrophobicContact CB-CG2 4.41Å; A177-A204 HydrophobicContact CB-CB 3.63Å; A177-V207 HydrophobicContact CB-CB 4.46Å; A177-V207 HydrophobicContact CB-CG1 3.71Å; A177-V207 HydrophobicContact CB-CG2 4.15Å
178	S	97.7	Very high	96.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	158.2	-173.2	178.1	0	0	0	0	113.7	Q157 K159 A160 D180 N181 S182 A204	Q157-S178 VanDerWaalsContact CD-CB 3.44Å; K159-S178 PolarHBondContact O-OG 2.92Å; A160-S178 WeakPolarHBondContact O-CA 3.42Å; A160-S178 PolarHBondContact O-OG 3.02Å; S178-D180 VanDerWaalsContact CB-OD1 3.28Å; S178-D180 WeakPolarHBondContact CB-OD1 3.34Å; S178-D180 PolarHBondContact O-N 2.96Å; S178-D180 PolarHBondContact OG-N 3.09Å; S178-D180 PolarHBondContact OG-OD1 2.89Å; S178-N181 PolarHBondContact O-N 3.06Å; S178-S182 PolarHBondContact N-O 2.84Å; S178-A204 PolarHBondContact O-N 3.08Å
179	E	96.7	Very high	96.9	Very high	36 Å²	36	28.1 Å²	28.1	17%	0.168	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-6.2	169.1	-64.7	-172.2	167.4	0	0	113.9	R118 K159 A160 N162 N181 F203	R118-E179 IonicContact CZ-OE1 3.54Å; R118-E179 IonicContact NH1-OE1 2.56Å; R118-E179 PolarHBondContact NH1-OE1 2.71Å; R118-E179 IonicContact NH2-OE1 2.7Å; R118-E179 PolarHBondContact NH2-OE1 2.81Å; K159-E179 HydrophobicContact CB-CB 3.98Å; K159-E179 HydrophobicContact CD-CB 4.24Å; A160-E179 HydrophobicContact CB-CG 4.44Å; A160-E179 PolarHBondContact O-N 2.98Å; N162-E179 WeakPolarHBondContact ND2-CG 3.3Å; E179-N181 PolarHBondContact O-N 3.32Å; E179-N181 PolarHBondContact O-OD1 2.9Å; E179-F203 HydrophobicContact CB-CD1 4.01Å; E179-F203 HydrophobicContact CB-CD2 4.46Å; E179-F203 HydrophobicContact CB-CE1 4.22Å; E179-F203 HydrophobicContact CB-CG 4.15Å; E179-F203 HydrophobicContact CG-CD2 4.13Å; E179-F203 HydrophobicContact CG-CE2 4.42Å; E179-F203 HydrophobicContact CG-CG 4.19Å; E179-F203 WeakPolarHBondContact O-CD1 3.38Å; E179-F203 WeakPolarHBondContact O-CE1 3.29Å
180	D	96.3	Very high	97	Very high	20 Å²	20	30.1 Å²	30.1	11%	0.107	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	11.1	167.7	71.4	8.5	0	0	0	113.4	Q157 T158 K159 S178 S182	Q157-D180 VanDerWaalsContact CA-OD2 3.3Å; Q157-D180 WeakPolarHBondContact CA-OD2 3.38Å; Q157-D180 WeakPolarHBondContact CB-OD2 3.42Å; T158-D180 PolarHBondContact N-OD2 2.78Å; T158-D180 WeakPolarHBondContact OG1-CB 3.35Å; T158-D180 PolarHBondContact OG1-OD2 3.01Å; K159-D180 HydrophobicContact CB-CB 4.11Å; K159-D180 HydrophobicContact CD-CB 4.3Å; K159-D180 HydrophobicContact CG-CB 4.1Å; S178-D180 VanDerWaalsContact CB-OD1 3.28Å; S178-D180 WeakPolarHBondContact CB-OD1 3.34Å; S178-D180 PolarHBondContact O-N 2.96Å; S178-D180 PolarHBondContact OG-N 3.09Å; S178-D180 PolarHBondContact OG-OD1 2.89Å; D180-S182 PolarHBondContact O-N 3.42Å; D180-S182 VanDerWaalsContact OD1-CB 3.23Å; D180-S182 WeakPolarHBondContact OD1-CB 3.45Å; D180-S182 PolarHBondContact OD1-N 2.61Å; D180-S182 PolarHBondContact OD1-OG 2.86Å
181	N	97.3	Very high	97.2	Very high	47 Å²	47	21.6 Å²	21.6	25%	0.251	13%	0.128	S	C	.	.	S	Bend	trans	70.2	7.9	-179.8	-44.8	-25.5	0	0	0	114.1	S178 E179 H200 G201 R202 F203	S178-N181 PolarHBondContact O-N 3.06Å; E179-N181 PolarHBondContact O-N 3.32Å; E179-N181 PolarHBondContact O-OD1 2.9Å; N181-H200 WeakPolarHBondContact CB-O 3.28Å; N181-G201 PolarHBondContact ND2-O 2.91Å; N181-R202 WeakPolarHBondContact CA-O 2.92Å; N181-R202 WeakPolarHBondContact CB-O 3.43Å; N181-R202 VanDerWaalsContact CG-C 3.43Å; N181-R202 WeakPolarHBondContact OD1-CA 3.43Å; N181-R202 PolarHBondContact OD1-O 2.63Å; N181-F203 PolarHBondContact OD1-N 2.82Å; N181-F203 VanDerWaalsContact OD1-N 3.1Å
182	S	96.9	Very high	97.2	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	13%	0.134	C	C	.	.			trans	-97.4	153.3	178.3	74.6	0	0	0	0	113.1	Q157 S178 D180 S197	Q157-S182 PolarHBondContact NE2-O 3.47Å; Q157-S182 VanDerWaalsContact NE2-O 3.11Å; Q157-S182 PolarHBondContact NE2-OG 3.42Å; S178-S182 PolarHBondContact N-O 2.84Å; D180-S182 PolarHBondContact O-N 3.42Å; D180-S182 VanDerWaalsContact OD1-CB 3.23Å; D180-S182 WeakPolarHBondContact OD1-CB 3.45Å; D180-S182 PolarHBondContact OD1-N 2.61Å; D180-S182 PolarHBondContact OD1-OG 2.86Å; S182-S197 VanDerWaalsContact CA-O 3.3Å; S182-S197 WeakPolarHBondContact CA-O 3.21Å
183	T	97.5	Very high	97.3	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.025	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	146.9	154	58.6	0	0	0	0	109.1	T176 A177 H196 S197 A204 V207	T176-T183 CarbonylContact O-C 3.51Å; T176-T183 WeakPolarHBondContact O-CA 3.39Å; A177-T183 HydrophobicContact CB-CG2 4.41Å; T183-H196 CarbonylContact O-C 3.41Å; T183-H196 VanDerWaalsContact O-CA 3.28Å; T183-H196 WeakPolarHBondContact O-CA 3.41Å; T183-S197 PolarHBondContact N-O 2.9Å; T183-S197 PolarHBondContact O-N 3.09Å; T183-A204 HydrophobicContact CG2-CB 4.21Å; T183-V207 HydrophobicContact CG2-CG1 4Å
184	A	97.5	Very high	97.2	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.025	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150.9	177.5	0	0	0	0	0	110.9	Q157 V175 T176 F186 F193 T195	Q157-A184 HydrophobicContact CG-CB 4.21Å; V175-A184 CarbonylContact C-O 3.46Å; V175-A184 WeakPolarHBondContact CA-O 3.38Å; T176-A184 PolarHBondContact N-O 2.72Å; T176-A184 PolarHBondContact O-N 2.78Å; A184-F186 HydrophobicContact CB-CE2 3.85Å; A184-F186 HydrophobicContact CB-CZ 4.03Å; A184-F193 HydrophobicContact CB-CE2 4.36Å; A184-T195 WeakPolarHBondContact CA-O 3.41Å
185	I	97.7	Very high	97	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.7	173	-170.3	172.4	0	0	0	109.6	R173 L174 V175 K194 T195 F216	R173-I185 HydrophobicContact CB-CD1 4.32Å; R173-I185 HydrophobicContact CB-CG1 4.27Å; R173-I185 HydrophobicContact CG-CD1 4.14Å; R173-I185 HydrophobicContact CG-CG1 4.45Å; L174-I185 CarbonylContact O-C 3.59Å; L174-I185 WeakPolarHBondContact O-CA 3.41Å; V175-I185 HydrophobicContact CG1-CB 4.22Å; V175-I185 HydrophobicContact CG1-CD1 4.38Å; V175-I185 HydrophobicContact CG1-CG1 4Å; I185-K194 HydrophobicContact CG2-CB 4.18Å; I185-K194 HydrophobicContact CG2-CD 4.47Å; I185-K194 HydrophobicContact CG2-CG 4.34Å; I185-K194 WeakPolarHBondContact O-CB 3.46Å; I185-K194 PolarHBondContact O-N 3.29Å; I185-T195 HydrophobicContact CG2-CG2 3.32Å; I185-T195 PolarHBondContact N-O 2.62Å; I185-T195 PolarHBondContact O-N 2.99Å; I185-F216 HydrophobicContact CD1-CE1 4.32Å
186	F	98.2	Very high	96.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139	-179.5	-54.9	-98.4	0	0	0	109.4	L154 C155 R173 L174 T176 A184 F191 K192 F193	L154-F186 VanDerWaalsContact CA-CE1 3.49Å; L154-F186 HydrophobicContact CB-CD1 4.47Å; L154-F186 HydrophobicContact CB-CE1 4.07Å; L154-F186 HydrophobicContact CB-CZ 4.22Å; L154-F186 HydrophobicContact CD2-CB 4.05Å; L154-F186 HydrophobicContact CD2-CD1 3.6Å; L154-F186 HydrophobicContact CD2-CD2 3.99Å; L154-F186 HydrophobicContact CD2-CE1 4.04Å; L154-F186 HydrophobicContact CD2-CE2 4.38Å; L154-F186 HydrophobicContact CD2-CG 3.6Å; L154-F186 HydrophobicContact CD2-CZ 4.41Å; C155-F186 WeakPolarHBondContact O-CE1 3.35Å; R173-F186 VanDerWaalsContact CA-O 3.25Å; R173-F186 WeakPolarHBondContact CA-O 3.25Å; R173-F186 VanDerWaalsContact CD-O 3.28Å; R173-F186 WeakPolarHBondContact CD-O 3.46Å; L174-F186 HydrophobicContact CB-CB 4.16Å; L174-F186 HydrophobicContact CB-CD2 4.24Å; L174-F186 PolarHBondContact N-O 3.25Å; L174-F186 PolarHBondContact O-N 2.98Å; T176-F186 HydrophobicContact CG2-CE2 3.82Å; T176-F186 WeakPolarHBondContact OG1-CE2 3.38Å; A184-F186 HydrophobicContact CB-CE2 3.85Å; A184-F186 HydrophobicContact CB-CZ 4.03Å; F186-F191 HydrophobicContact CB-CD1 4.47Å; F186-K192 CarbonylContact C-O 3.56Å; F186-K192 WeakPolarHBondContact CA-O 3.48Å; F186-K192 WeakPolarHBondContact CB-O 3.47Å; F186-F193 HydrophobicContact CD1-CB 4.27Å; F186-F193 HydrophobicContact CE1-CB 4.23Å; F186-F193 HydrophobicContact CE1-CD2 4.13Å
187	E	97.1	Very high	96.6	Very high	56 Å²	56	36.4 Å²	36.4	26%	0.262	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	140.7	175.6	63.6	175.5	-173	0	0	111.2	F191 K192 K194	E187-F191 CarbonylContact O-C 3.51Å; E187-F191 VanDerWaalsContact O-CA 3.22Å; E187-F191 WeakPolarHBondContact O-CA 3.43Å; E187-K192 HydrophobicContact CG-CG 3.97Å; E187-K192 PolarHBondContact N-O 2.69Å; E187-K192 PolarHBondContact O-N 3.32Å; E187-K192 WeakPolarHBondContact OE1-CE 3.44Å; E187-K192 IonicContact OE1-NZ 3.63Å; E187-K192 PolarHBondContact OE1-NZ 2.9Å; E187-K194 HydrophobicContact CB-CB 4.41Å; E187-K194 HydrophobicContact CB-CD 4.32Å; E187-K194 HydrophobicContact CG-CB 4.2Å
188	G	94.5	Very high	96.4	Very high	21 Å²	21	42.9 Å²	42.9	22%	0.216	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-178.8	-169.5	-179.4	0	0	0	0	0	112.8	P190	G188-P190 WeakPolarHBondContact CA-O 3.48Å
189	P	94.9	Very high	96.2	Very high	59 Å²	59	44.5 Å²	44.5	38%	0.383	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	cis	-84.4	152.3	-0.3	32.3	-35	0	0	0	114.2	N151 F191	N151-P189 VanDerWaalsContact OD1-CB 3.27Å; N151-P189 WeakPolarHBondContact OD1-CB 3.34Å; P189-F191 HydrophobicContact CB-CD2 4.48Å; P189-F191 HydrophobicContact CB-CE2 4.12Å
190	P	96.6	Very high	96.2	Very high	96 Å²	96	43.1 Å²	43.1	62%	0.623	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	cis	-66.3	140.2	-8.9	29.4	-34.3	0	0	0	110.9	N151 G188	N151-P190 CarbonylContact O-C 3.55Å; N151-P190 WeakPolarHBondContact O-CA 3.5Å; G188-P190 WeakPolarHBondContact CA-O 3.48Å
191	F	98.1	Very high	96.2	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.009	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-69.9	133.8	-176.9	-67.9	-85	0	0	0	111.6	V142 N151 G152 N153 L154 F166 L172 L174 F186 E187 P189	V142-F191 HydrophobicContact CG1-CB 4.03Å; V142-F191 HydrophobicContact CG1-CD2 3.97Å; V142-F191 HydrophobicContact CG1-CG 4.33Å; V142-F191 HydrophobicContact CG2-CD2 3.87Å; V142-F191 HydrophobicContact CG2-CE2 4.17Å; N151-F191 WeakPolarHBondContact O-CD2 3.25Å; N151-F191 PolarHBondContact O-N 3.16Å; G152-F191 CarbonylContact C-O 3.55Å; G152-F191 WeakPolarHBondContact CA-O 3.39Å; N153-F191 PolarHBondContact N-O 2.66Å; L154-F191 HydrophobicContact CD2-CB 4.08Å; F166-F191 HydrophobicContact CD1-CZ 4.18Å; F166-F191 HydrophobicContact CE1-CE1 4.23Å; F166-F191 AromaticContact CE1-CE2 3.77Å; F166-F191 HydrophobicContact CE1-CE2 3.77Å; F166-F191 AromaticContact CE1-CZ 3.51Å; F166-F191 HydrophobicContact CE1-CZ 3.51Å; F166-F191 HydrophobicContact CZ-CE2 4.43Å; L172-F191 HydrophobicContact CB-CE1 4.28Å; L172-F191 HydrophobicContact CB-CZ 4.07Å; L174-F191 HydrophobicContact CB-CD1 4.28Å; L174-F191 HydrophobicContact CB-CE1 4.46Å; L174-F191 HydrophobicContact CD1-CB 4.33Å; L174-F191 HydrophobicContact CD1-CD1 3.74Å; L174-F191 HydrophobicContact CD1-CD2 4.01Å; L174-F191 HydrophobicContact CD1-CE1 4.04Å; L174-F191 HydrophobicContact CD1-CE2 4.31Å; L174-F191 HydrophobicContact CD1-CG 3.73Å; L174-F191 HydrophobicContact CD1-CZ 4.34Å; L174-F191 HydrophobicContact CG-CD1 4.01Å; L174-F191 HydrophobicContact CG-CE1 3.95Å; L174-F191 HydrophobicContact CG-CG 4.49Å; L174-F191 HydrophobicContact CG-CZ 4.41Å; F186-F191 HydrophobicContact CB-CD1 4.47Å; E187-F191 CarbonylContact O-C 3.51Å; E187-F191 VanDerWaalsContact O-CA 3.22Å; E187-F191 WeakPolarHBondContact O-CA 3.43Å; P189-F191 HydrophobicContact CB-CD2 4.48Å; P189-F191 HydrophobicContact CB-CE2 4.12Å
192	K	97.2	Very high	96.1	Very high	122 Å²	122	49.9 Å²	49.9	53%	0.53	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	156	174.5	60.5	177.8	-178	162.3	0	109.5	F186 E187 K194	F186-K192 CarbonylContact C-O 3.56Å; F186-K192 WeakPolarHBondContact CA-O 3.48Å; F186-K192 WeakPolarHBondContact CB-O 3.47Å; E187-K192 HydrophobicContact CG-CG 3.97Å; E187-K192 PolarHBondContact N-O 2.69Å; E187-K192 PolarHBondContact O-N 3.32Å; E187-K192 WeakPolarHBondContact OE1-CE 3.44Å; E187-K192 IonicContact OE1-NZ 3.63Å; E187-K192 PolarHBondContact OE1-NZ 2.9Å; K192-K194 PolarHBondContact O-N 3.06Å
193	F	97.2	Very high	96.1	Very high	84 Å²	84	53.7 Å²	53.7	37%	0.368	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	133.6	177.7	179.4	-97.1	0	0	0	111.2	A184 F186 T195 H196	A184-F193 HydrophobicContact CB-CE2 4.36Å; F186-F193 HydrophobicContact CD1-CB 4.27Å; F186-F193 HydrophobicContact CE1-CB 4.23Å; F186-F193 HydrophobicContact CE1-CD2 4.13Å; F193-T195 VanDerWaalsContact CZ-C 3.46Å; F193-H196 HydrophobicContact CE2-CB 4.36Å; F193-H196 HydrophobicContact CZ-CB 4.22Å
194	K	95.9	Very high	96.1	Very high	51 Å²	51	53.5 Å²	53.5	22%	0.222	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-58.8	174	176.3	173.8	177.2	171.4	0	111.1	I185 E187 K192 T231 E232	I185-K194 HydrophobicContact CG2-CB 4.18Å; I185-K194 HydrophobicContact CG2-CD 4.47Å; I185-K194 HydrophobicContact CG2-CG 4.34Å; I185-K194 WeakPolarHBondContact O-CB 3.46Å; I185-K194 PolarHBondContact O-N 3.29Å; E187-K194 HydrophobicContact CB-CB 4.41Å; E187-K194 HydrophobicContact CB-CD 4.32Å; E187-K194 HydrophobicContact CG-CB 4.2Å; K192-K194 PolarHBondContact O-N 3.06Å; K194-T231 PolarHBondContact NZ-O 3.29Å; K194-E232 VanDerWaalsContact CE-OE2 3.31Å; K194-E232 WeakPolarHBondContact CE-OE2 3.36Å; K194-E232 IonicContact NZ-OE1 2.77Å; K194-E232 PolarHBondContact NZ-OE1 3.5Å; K194-E232 IonicContact NZ-OE2 2.7Å; K194-E232 PolarHBondContact NZ-OE2 2.96Å
195	T	95	Very high	96.1	Very high	52 Å²	52	53.9 Å²	53.9	32%	0.319	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	164.2	177.4	-169.9	0	0	0	0	112.3	A184 I185 F193	A184-T195 WeakPolarHBondContact CA-O 3.41Å; I185-T195 HydrophobicContact CG2-CG2 3.32Å; I185-T195 PolarHBondContact N-O 2.62Å; I185-T195 PolarHBondContact O-N 2.99Å; F193-T195 VanDerWaalsContact CZ-C 3.46Å
196	H	93.4	Very high	96.1	Very high	89 Å²	89	54.1 Å²	54.1	41%	0.412	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	163.1	169.3	59.2	-138.9	0	0	0	111.4	T183 F193 Y198	T183-H196 CarbonylContact O-C 3.41Å; T183-H196 VanDerWaalsContact O-CA 3.28Å; T183-H196 WeakPolarHBondContact O-CA 3.41Å; F193-H196 HydrophobicContact CE2-CB 4.36Å; F193-H196 HydrophobicContact CZ-CB 4.22Å; H196-Y198 AromaticContact CD2-CD2 3.73Å; H196-Y198 AromaticContact CD2-CE2 3.4Å; H196-Y198 VanDerWaalsContact CD2-CE2 3.4Å; H196-Y198 WeakPolarHBondContact CD2-CE2 3.42Å; H196-Y198 AromaticContact CE1-CE2 3.46Å; H196-Y198 VanDerWaalsContact CE1-CE2 3.46Å; H196-Y198 WeakPolarHBondContact CE1-CE2 3.38Å; H196-Y198 AromaticContact CG-CE2 3.65Å; H196-Y198 AromaticContact ND1-CE2 3.65Å; H196-Y198 AromaticContact ND1-CZ 3.98Å; H196-Y198 AromaticContact NE2-CD2 3.9Å; H196-Y198 AromaticContact NE2-CE2 3.32Å; H196-Y198 VanDerWaalsContact NE2-CE2 3.32Å; H196-Y198 WeakPolarHBondContact NE2-CE2 2.93Å
197	S	94.6	Very high	96.1	Very high	20 Å²	20	54.1 Å²	54.1	14%	0.14	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133.2	163.9	174.7	0	0	0	0	109.4	S182 T183 S199	S182-S197 VanDerWaalsContact CA-O 3.3Å; S182-S197 WeakPolarHBondContact CA-O 3.21Å; T183-S197 PolarHBondContact N-O 2.9Å; T183-S197 PolarHBondContact O-N 3.09Å; S197-S199 PolarHBondContact OG-N 2.84Å; S197-S199 PolarHBondContact OG-OG 2.8Å
198	Y	94.8	Very high	96.1	Very high	135 Å²	135	53.3 Å²	53.3	53%	0.529	28%	0.276	S	S	.	.			trans	-104.7	39.3	173.7	-65.5	-78.2	0	0	0	111.2	H196 H200	H196-Y198 AromaticContact CD2-CD2 3.73Å; H196-Y198 AromaticContact CD2-CE2 3.4Å; H196-Y198 VanDerWaalsContact CD2-CE2 3.4Å; H196-Y198 WeakPolarHBondContact CD2-CE2 3.42Å; H196-Y198 AromaticContact CE1-CE2 3.46Å; H196-Y198 VanDerWaalsContact CE1-CE2 3.46Å; H196-Y198 WeakPolarHBondContact CE1-CE2 3.38Å; H196-Y198 AromaticContact CG-CE2 3.65Å; H196-Y198 AromaticContact ND1-CE2 3.65Å; H196-Y198 AromaticContact ND1-CZ 3.98Å; H196-Y198 AromaticContact NE2-CD2 3.9Å; H196-Y198 AromaticContact NE2-CE2 3.32Å; H196-Y198 VanDerWaalsContact NE2-CE2 3.32Å; H196-Y198 WeakPolarHBondContact NE2-CE2 2.93Å; Y198-H200 PolarHBondContact O-N 3.01Å
199	S	93.4	Very high	96.2	Very high	35 Å²	35	52.9 Å²	52.9	25%	0.245	27%	0.268	C	S	.	.			trans	-66.5	-24.5	178.4	-62.1	0	0	0	0	112.8	S197 F226 N235	S197-S199 PolarHBondContact OG-N 2.84Å; S197-S199 PolarHBondContact OG-OG 2.8Å; S199-F226 VanDerWaalsContact O-CE2 3.31Å; S199-F226 WeakPolarHBondContact O-CE2 3.21Å; S199-F226 VanDerWaalsContact O-CZ 3.28Å; S199-F226 WeakPolarHBondContact O-CZ 3.43Å; S199-N235 PolarHBondContact OG-ND2 2.78Å
200	H	96.7	Very high	96.2	Very high	7 Å²	7	50.2 Å²	50.2	3%	0.032	25%	0.25	C	S	.	.			trans	-88.5	136.6	178.2	-71.5	-72.1	0	0	0	112.3	N181 Y198 R202 S218 G220 D222 K224 F226	N181-H200 WeakPolarHBondContact CB-O 3.28Å; Y198-H200 PolarHBondContact O-N 3.01Å; H200-R202 WeakPolarHBondContact CB-O 3.39Å; H200-S218 PolarHBondContact NE2-OG 3.37Å; H200-G220 PolarHBondContact CE1-N 3.25Å; H200-D222 WeakPolarHBondContact CA-OD2 3.13Å; H200-D222 WeakPolarHBondContact CB-OD2 3.29Å; H200-D222 IonicContact CE1-OD1 4Å; H200-D222 IonicContact CG-OD2 3.75Å; H200-D222 IonicContact ND1-OD1 2.77Å; H200-D222 PolarHBondContact ND1-OD1 2.95Å; H200-D222 VanDerWaalsContact ND1-OD1 3.1Å; H200-D222 IonicContact ND1-OD2 2.85Å; H200-D222 PolarHBondContact ND1-OD2 2.98Å; H200-K224 PolarHBondContact CE1-O 3.3Å; H200-F226 AromaticContact CE1-CD2 3.52Å; H200-F226 AromaticContact CE1-CE2 3.73Å; H200-F226 AromaticContact ND1-CE2 3.78Å; H200-F226 AromaticContact NE2-CD2 3.63Å
201	G	95	Very high	96	Very high	57 Å²	57	48.6 Å²	48.6	59%	0.588	24%	0.24	S	C	*	.	S	Bend	trans	-89.1	-10.3	176.7	0	0	0	0	0	114	N181 D222	N181-G201 PolarHBondContact ND2-O 2.91Å; G201-D222 PolarHBondContact N-OD2 2.88Å
202	R	96.6	Very high	95.7	Very high	151 Å²	151	51 Å²	51	57%	0.57	26%	0.257	S	S	*	.	S	Bend	trans	-139.2	-174.4	176.8	-60.7	-179.5	70	-170	8.1	108.8	N181 H200 A204 A221 D222	N181-R202 WeakPolarHBondContact CA-O 2.92Å; N181-R202 WeakPolarHBondContact CB-O 3.43Å; N181-R202 VanDerWaalsContact CG-C 3.43Å; N181-R202 WeakPolarHBondContact OD1-CA 3.43Å; N181-R202 PolarHBondContact OD1-O 2.63Å; H200-R202 WeakPolarHBondContact CB-O 3.39Å; R202-A204 PolarHBondContact O-N 3.11Å; R202-A221 HydrophobicContact CB-CB 4.03Å; R202-A221 PolarHBondContact NH1-O 3.41Å; R202-D222 HydrophobicContact CB-CB 4.04Å; R202-D222 HydrophobicContact CG-CB 4.12Å
203	F	96.9	Very high	95.6	Very high	81 Å²	81	45.1 Å²	45.1	36%	0.355	23%	0.231	S	C	.	.			trans	-51.1	125.2	-175.4	-58.4	-12.6	0	0	0	111.3	E179 N181 Q205 G220 A221	E179-F203 HydrophobicContact CB-CD1 4.01Å; E179-F203 HydrophobicContact CB-CD2 4.46Å; E179-F203 HydrophobicContact CB-CE1 4.22Å; E179-F203 HydrophobicContact CB-CG 4.15Å; E179-F203 HydrophobicContact CG-CD2 4.13Å; E179-F203 HydrophobicContact CG-CE2 4.42Å; E179-F203 HydrophobicContact CG-CG 4.19Å; E179-F203 WeakPolarHBondContact O-CD1 3.38Å; E179-F203 WeakPolarHBondContact O-CE1 3.29Å; N181-F203 PolarHBondContact OD1-N 2.82Å; N181-F203 VanDerWaalsContact OD1-N 3.1Å; F203-Q205 PolarHBondContact O-N 3.46Å; F203-G220 CarbonylContact O-C 3.6Å; F203-G220 VanDerWaalsContact O-CA 3.23Å; F203-G220 WeakPolarHBondContact O-CA 3.22Å; F203-A221 HydrophobicContact CB-CB 4.28Å; F203-A221 PolarHBondContact O-N 2.83Å
204	A	97.6	Very high	95.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	122.3	168.1	0	0	0	0	0	107.2	N162 A177 S178 T183 R202	N162-A204 PolarHBondContact ND2-O 3.15Å; A177-A204 HydrophobicContact CB-CB 3.63Å; S178-A204 PolarHBondContact O-N 3.08Å; T183-A204 HydrophobicContact CG2-CB 4.21Å; R202-A204 PolarHBondContact O-N 3.11Å
205	Q	97.2	Very high	95.4	Very high	11 Å²	11	44.8 Å²	44.8	5%	0.051	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-42.5	-168.9	-66.8	-69.5	15.5	0	0	112.4	N162 S163 F203 C219 A221 V253	N162-Q205 WeakPolarHBondContact CB-O 3.26Å; N162-Q205 PolarHBondContact ND2-OE1 2.9Å; S163-Q205 WeakPolarHBondContact CB-O 3.39Å; F203-Q205 PolarHBondContact O-N 3.46Å; Q205-C219 PolarHBondContact N-O 2.86Å; Q205-A221 HydrophobicContact CG-CB 4.45Å; Q205-V253 WeakPolarHBondContact CB-O 3.44Å; Q205-V253 WeakPolarHBondContact CG-O 3.5Å
206	C	97.6	Very high	95.4	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.054	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	143.7	-174	-168.2	0	0	0	0	111.9	S218 C219 L256	C206-S218 CarbonylContact O-C 3.58Å; C206-S218 VanDerWaalsContact O-CA 3.26Å; C206-S218 WeakPolarHBondContact O-CA 3.23Å; C206-C219 PolarHBondContact N-O 3.35Å; C206-C219 PolarHBondContact O-N 3.46Å; C206-L256 HydrophobicContact CB-CG 4.3Å
207	V	97.5	Very high	95.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.2	169.5	-76	0	0	0	0	110.3	S163 V175 A177 T183 A217	S163-V207 PolarHBondContact OG-N 3.3Å; S163-V207 PolarHBondContact OG-O 2.89Å; V175-V207 HydrophobicContact CG2-CB 4.01Å; V175-V207 HydrophobicContact CG2-CG2 3.98Å; A177-V207 HydrophobicContact CB-CB 4.46Å; A177-V207 HydrophobicContact CB-CG1 3.71Å; A177-V207 HydrophobicContact CB-CG2 4.15Å; T183-V207 HydrophobicContact CG2-CG1 4Å; V207-A217 VanDerWaalsContact CA-O 3.29Å; V207-A217 WeakPolarHBondContact CA-O 3.15Å
208	R	97.5	Very high	95.7	Very high	39 Å²	39	37.3 Å²	37.3	15%	0.147	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	136.6	172.6	-59.4	-69.7	172.7	-118.7	6.9	111.7	D119 S163 I164 D165 F216 A217 L256 W258	D119-R208 IonicContact OD1-NH2 3.45Å; D119-R208 PolarHBondContact OD1-NH2 2.81Å; D119-R208 IonicContact OD2-CZ 3.1Å; D119-R208 VanDerWaalsContact OD2-CZ 3.32Å; D119-R208 IonicContact OD2-NH1 2.96Å; D119-R208 PolarHBondContact OD2-NH1 2.83Å; D119-R208 IonicContact OD2-NH2 3.05Å; D119-R208 PolarHBondContact OD2-NH2 2.91Å; S163-R208 PolarHBondContact OG-NH1 3.44Å; I164-R208 PolarHBondContact O-NH1 3.27Å; I164-R208 VanDerWaalsContact O-NH1 3.16Å; D165-R208 WeakPolarHBondContact OD2-CA 3.35Å; R208-F216 WeakPolarHBondContact O-CA 3.4Å; R208-F216 WeakPolarHBondContact O-CB 3.25Å; R208-A217 PolarHBondContact N-O 3.28Å; R208-A217 VanDerWaalsContact N-O 3.07Å; R208-A217 PolarHBondContact O-N 3.15Å; R208-L256 HydrophobicContact CB-CD1 3.43Å; R208-L256 VanDerWaalsContact CB-CD1 3.43Å; R208-L256 HydrophobicContact CG-CD1 3.51Å; R208-L256 HydrophobicContact CG-CG 4.49Å; R208-W258 PolarHBondContact O-NE1 2.96Å
209	Y	97.1	Very high	95.8	Very high	12 Å²	12	30.9 Å²	30.9	5%	0.047	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	147.7	167.8	-89	-79.5	0	0	0	111.3	D165 F166 R167 R173 V175 V215 F216 G230	D165-Y209 HydrophobicContact CB-CD2 4.42Å; D165-Y209 PolarHBondContact OD2-N 2.83Å; F166-Y209 VanDerWaalsContact C-CD2 3.47Å; F166-Y209 WeakPolarHBondContact O-CD2 3.34Å; R167-Y209 HydrophobicContact CB-CD1 4.12Å; R167-Y209 HydrophobicContact CB-CD2 4.09Å; R167-Y209 HydrophobicContact CB-CE1 3.81Å; R167-Y209 HydrophobicContact CB-CE2 3.76Å; R167-Y209 HydrophobicContact CB-CG 4.26Å; R167-Y209 HydrophobicContact CG-CD1 3.92Å; R167-Y209 HydrophobicContact CG-CE1 3.69Å; R167-Y209 HydrophobicContact CG-CG 4.45Å; R173-Y209 WeakPolarHBondContact CB-OH 3.21Å; V175-Y209 HydrophobicContact CB-CE2 4.08Å; V175-Y209 HydrophobicContact CG1-CE2 3.55Å; V175-Y209 WeakPolarHBondContact CG1-OH 3.38Å; V175-Y209 HydrophobicContact CG2-CD2 3.79Å; V175-Y209 HydrophobicContact CG2-CE2 3.51Å; Y209-V215 WeakPolarHBondContact CD1-O 3.42Å; Y209-F216 HydrophobicContact CD1-CB 3.79Å; Y209-F216 HydrophobicContact CD2-CB 4.37Å; Y209-F216 HydrophobicContact CE1-CB 3.99Å; Y209-F216 AromaticContact CE1-CD1 3.97Å; Y209-F216 HydrophobicContact CE1-CD1 3.97Å; Y209-F216 HydrophobicContact CE1-CG 4.41Å; Y209-F216 HydrophobicContact CG-CB 4Å; Y209-G230 WeakPolarHBondContact CE1-O 3.38Å; Y209-G230 PolarHBondContact OH-O 2.7Å
210	S	94.3	Very high	96	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.014	16%	0.159	C	C	.	.			trans	-65.6	156.3	163.7	70.8	0	0	0	0	109.9	S212 G213 V215	S210-S212 PolarHBondContact O-N 3.05Å; S210-S212 VanDerWaalsContact O-N 3.14Å; S210-S212 PolarHBondContact OG-OG 3.27Å; S210-G213 WeakPolarHBondContact O-CA 3.41Å; S210-G213 PolarHBondContact O-N 2.9Å; S210-G213 PolarHBondContact OG-N 2.9Å; S210-V215 PolarHBondContact N-O 2.84Å; S210-V215 PolarHBondContact OG-O 3.2Å
211	P	92.6	Very high	96	Very high	63 Å²	63	29.5 Å²	29.5	41%	0.409	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.4	177.9	-28.6	36.4	0	0	0	114.6	P168 N259	P168-P211 VanDerWaalsContact CG-O 3.27Å; P168-P211 WeakPolarHBondContact CG-O 3.25Å; P211-N259 WeakPolarHBondContact CG-O 3Å
212	S	92.6	Very high	96	Very high	51 Å²	51	28.1 Å²	28.1	36%	0.357	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-24.6	174.3	68.6	0	0	0	0	113.2	T169 S210 D214	T169-S212 VanDerWaalsContact CG2-O 3.26Å; T169-S212 WeakPolarHBondContact CG2-O 3.27Å; T169-S212 PolarHBondContact OG1-O 2.84Å; S210-S212 PolarHBondContact O-N 3.05Å; S210-S212 VanDerWaalsContact O-N 3.14Å; S210-S212 PolarHBondContact OG-OG 3.27Å; S212-D214 VanDerWaalsContact C-N 3.29Å; S212-D214 VanDerWaalsContact CB-OD2 3.24Å; S212-D214 WeakPolarHBondContact CB-OD2 3.37Å; S212-D214 VanDerWaalsContact OG-CG 3.31Å; S212-D214 PolarHBondContact OG-N 3.36Å; S212-D214 PolarHBondContact OG-OD2 2.93Å
213	G	94.4	Very high	96	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	80.2	3.7	-174.7	0	0	0	0	0	114.1	R167 S210 V215	R167-G213 PolarHBondContact NE-O 2.96Å; R167-G213 PolarHBondContact NH2-O 2.97Å; S210-G213 WeakPolarHBondContact O-CA 3.41Å; S210-G213 PolarHBondContact O-N 2.9Å; S210-G213 PolarHBondContact OG-N 2.9Å; G213-V215 VanDerWaalsContact C-N 3.26Å; G213-V215 PolarHBondContact O-N 2.62Å
214	D	92.9	Very high	95.9	Very high	95 Å²	95	19.8 Å²	19.8	51%	0.508	11%	0.11	S	C	.	.	S	Bend	trans	-71.1	-25.8	-178.9	-58.5	-41.2	0	0	0	112.5	S212 G230	S212-D214 VanDerWaalsContact C-N 3.29Å; S212-D214 VanDerWaalsContact CB-OD2 3.24Å; S212-D214 WeakPolarHBondContact CB-OD2 3.37Å; S212-D214 VanDerWaalsContact OG-CG 3.31Å; S212-D214 PolarHBondContact OG-N 3.36Å; S212-D214 PolarHBondContact OG-OD2 2.93Å; D214-G230 WeakPolarHBondContact O-CA 3.12Å; D214-G230 PolarHBondContact O-N 3.21Å
215	V	95.1	Very high	95.9	Very high	32 Å²	32	19.8 Å²	19.8	19%	0.194	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	160	176	-62.8	0	0	0	0	110.4	Y209 S210 G213 V227 Y228 L236 W258	Y209-V215 WeakPolarHBondContact CD1-O 3.42Å; S210-V215 PolarHBondContact N-O 2.84Å; S210-V215 PolarHBondContact OG-O 3.2Å; G213-V215 VanDerWaalsContact C-N 3.26Å; G213-V215 PolarHBondContact O-N 2.62Å; V215-V227 HydrophobicContact CB-CG1 3.93Å; V215-V227 HydrophobicContact CG1-CG1 4.23Å; V215-V227 HydrophobicContact CG2-CG1 4.24Å; V215-Y228 WeakPolarHBondContact CA-O 3.3Å; V215-Y228 VanDerWaalsContact CB-O 3.26Å; V215-Y228 WeakPolarHBondContact CB-O 3.39Å; V215-L236 HydrophobicContact CG1-CD1 3.86Å; V215-W258 HydrophobicContact CG2-CH2 3.85Å; V215-W258 HydrophobicContact CG2-CZ2 4Å
216	F	96.3	Very high	95.8	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.018	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	155.7	161.7	69	-90	0	0	0	109.9	V175 I185 R208 Y209 V227 Y228 D229	V175-F216 HydrophobicContact CB-CD2 4.41Å; V175-F216 HydrophobicContact CB-CE2 4.44Å; V175-F216 HydrophobicContact CG1-CD1 3.82Å; V175-F216 HydrophobicContact CG1-CD2 4.12Å; V175-F216 HydrophobicContact CG1-CE1 3.74Å; V175-F216 HydrophobicContact CG1-CE2 4.06Å; V175-F216 HydrophobicContact CG1-CG 4.01Å; V175-F216 HydrophobicContact CG1-CZ 3.87Å; V175-F216 HydrophobicContact CG2-CD2 4.41Å; V175-F216 HydrophobicContact CG2-CG 4.47Å; I185-F216 HydrophobicContact CD1-CE1 4.32Å; R208-F216 WeakPolarHBondContact O-CA 3.4Å; R208-F216 WeakPolarHBondContact O-CB 3.25Å; Y209-F216 HydrophobicContact CD1-CB 3.79Å; Y209-F216 HydrophobicContact CD2-CB 4.37Å; Y209-F216 HydrophobicContact CE1-CB 3.99Å; Y209-F216 AromaticContact CE1-CD1 3.97Å; Y209-F216 HydrophobicContact CE1-CD1 3.97Å; Y209-F216 HydrophobicContact CE1-CG 4.41Å; Y209-F216 HydrophobicContact CG-CB 4Å; F216-V227 WeakPolarHBondContact O-CA 3.35Å; F216-Y228 AromaticContact CD2-CD2 3.74Å; F216-Y228 HydrophobicContact CD2-CD2 3.74Å; F216-Y228 HydrophobicContact CD2-CG 4.28Å; F216-Y228 VanDerWaalsContact CE1-CB 3.47Å; F216-Y228 HydrophobicContact CE1-CG 4.18Å; F216-Y228 HydrophobicContact CE2-CD1 4.47Å; F216-Y228 AromaticContact CE2-CD2 3.28Å; F216-Y228 HydrophobicContact CE2-CD2 3.28Å; F216-Y228 AromaticContact CE2-CE2 3.95Å; F216-Y228 HydrophobicContact CE2-CE2 3.95Å; F216-Y228 AromaticContact CE2-CG 3.59Å; F216-Y228 HydrophobicContact CE2-CG 3.59Å; F216-Y228 HydrophobicContact CZ-CD1 4.24Å; F216-Y228 AromaticContact CZ-CD2 3.77Å; F216-Y228 HydrophobicContact CZ-CD2 3.77Å; F216-Y228 AromaticContact CZ-CG 3.54Å; F216-Y228 HydrophobicContact CZ-CG 3.54Å; F216-Y228 PolarHBondContact N-O 3.12Å; F216-Y228 VanDerWaalsContact N-O 3.07Å; F216-Y228 PolarHBondContact O-N 2.75Å; F216-D229 WeakPolarHBondContact CE1-O 3.28Å
217	A	96.8	Very high	95.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	150.6	174.5	0	0	0	0	0	110.8	V207 R208 F226 L256 W258 L265	V207-A217 VanDerWaalsContact CA-O 3.29Å; V207-A217 WeakPolarHBondContact CA-O 3.15Å; R208-A217 PolarHBondContact N-O 3.28Å; R208-A217 VanDerWaalsContact N-O 3.07Å; R208-A217 PolarHBondContact O-N 3.15Å; A217-F226 CarbonylContact C-O 3.57Å; A217-F226 WeakPolarHBondContact CA-O 2.87Å; A217-L256 HydrophobicContact CB-CD1 4.23Å; A217-L256 HydrophobicContact CB-CD2 4.03Å; A217-W258 HydrophobicContact CB-CZ2 3.61Å; A217-L265 HydrophobicContact CB-CD1 4.27Å; A217-L265 HydrophobicContact CB-CD2 3.87Å
218	S	97.6	Very high	95.6	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149.8	168.9	77.3	0	0	0	0	111.6	H200 C206 V225 F226 Y228	H200-S218 PolarHBondContact NE2-OG 3.37Å; C206-S218 CarbonylContact O-C 3.58Å; C206-S218 VanDerWaalsContact O-CA 3.26Å; C206-S218 WeakPolarHBondContact O-CA 3.23Å; S218-V225 CarbonylContact O-C 3.52Å; S218-V225 VanDerWaalsContact O-CA 3.29Å; S218-V225 WeakPolarHBondContact O-CA 3.41Å; S218-F226 PolarHBondContact N-O 3.31Å; S218-F226 PolarHBondContact O-N 3.19Å; S218-Y228 WeakPolarHBondContact OG-CE2 3.48Å; S218-Y228 PolarHBondContact OG-OH 3.12Å
219	C	97.2	Very high	95.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	156.8	171.2	74.1	0	0	0	0	111.8	Q205 C206 K224 V225 V253 L256	Q205-C219 PolarHBondContact N-O 2.86Å; C206-C219 PolarHBondContact N-O 3.35Å; C206-C219 PolarHBondContact O-N 3.46Å; C219-K224 WeakPolarHBondContact CA-O 3.41Å; C219-V225 HydrophobicContact CB-CG2 3.88Å; C219-V253 HydrophobicContact CB-CB 3.74Å; C219-V253 HydrophobicContact CB-CG1 3.6Å; C219-V253 VanDerWaalsContact SG-CG1 3.56Å; C219-L256 HydrophobicContact CB-CD2 3.83Å
220	G	97.1	Very high	95.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	169.2	-172	0	0	0	0	0	115.5	H200 F203 D222 G223 K224 V253	H200-G220 PolarHBondContact CE1-N 3.25Å; F203-G220 CarbonylContact O-C 3.6Å; F203-G220 VanDerWaalsContact O-CA 3.23Å; F203-G220 WeakPolarHBondContact O-CA 3.22Å; G220-D222 WeakPolarHBondContact CA-OD1 3.5Å; G220-D222 PolarHBondContact O-N 2.83Å; G220-D222 VanDerWaalsContact O-N 3.11Å; G220-G223 PolarHBondContact O-N 2.81Å; G220-G223 VanDerWaalsContact O-N 3.08Å; G220-K224 PolarHBondContact N-O 2.77Å; G220-V253 CarbonylContact C-O 3.4Å; G220-V253 PolarHBondContact O-N 2.82Å
221	A	96.6	Very high	95.4	Very high	13 Å²	13	21.1 Å²	21.1	11%	0.107	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-5.8	176.5	0	0	0	0	0	113.7	R202 F203 Q205 G223	R202-A221 HydrophobicContact CB-CB 4.03Å; R202-A221 PolarHBondContact NH1-O 3.41Å; F203-A221 HydrophobicContact CB-CB 4.28Å; F203-A221 PolarHBondContact O-N 2.83Å; Q205-A221 HydrophobicContact CG-CB 4.45Å; A221-G223 VanDerWaalsContact C-N 3.3Å
222	D	95.5	Very high	95.5	Very high	28 Å²	28	22.6 Å²	22.6	15%	0.15	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.2	171.8	56.8	1.6	0	0	0	113.4	H200 G201 R202 G220 K224	H200-D222 WeakPolarHBondContact CA-OD2 3.13Å; H200-D222 WeakPolarHBondContact CB-OD2 3.29Å; H200-D222 IonicContact CE1-OD1 4Å; H200-D222 IonicContact CG-OD2 3.75Å; H200-D222 IonicContact ND1-OD1 2.77Å; H200-D222 PolarHBondContact ND1-OD1 2.95Å; H200-D222 VanDerWaalsContact ND1-OD1 3.1Å; H200-D222 IonicContact ND1-OD2 2.85Å; H200-D222 PolarHBondContact ND1-OD2 2.98Å; G201-D222 PolarHBondContact N-OD2 2.88Å; R202-D222 HydrophobicContact CB-CB 4.04Å; R202-D222 HydrophobicContact CG-CB 4.12Å; G220-D222 WeakPolarHBondContact CA-OD1 3.5Å; G220-D222 PolarHBondContact O-N 2.83Å; G220-D222 VanDerWaalsContact O-N 3.11Å; D222-K224 VanDerWaalsContact C-N 3.27Å; D222-K224 HydrophobicContact CB-CG 4.47Å; D222-K224 PolarHBondContact OD1-N 3.35Å; D222-K224 VanDerWaalsContact OD1-N 3.13Å
223	G	95.5	Very high	95.5	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.01	11%	0.113	C	C	.	.	S	Bend	trans	80.7	8	-179.8	0	0	0	0	0	113.6	G220 A221 A248 H249 G251	G220-G223 PolarHBondContact O-N 2.81Å; G220-G223 VanDerWaalsContact O-N 3.08Å; A221-G223 VanDerWaalsContact C-N 3.3Å; G223-A248 WeakPolarHBondContact O-CB 3.48Å; G223-A248 PolarHBondContact O-N 2.9Å; G223-H249 PolarHBondContact O-N 3.16Å; G223-G251 WeakPolarHBondContact CA-O 3.39Å
224	K	95.9	Very high	95.5	Very high	56 Å²	56	24.4 Å²	24.4	24%	0.243	14%	0.135	C	C	.	.			trans	-98.9	152.6	-177.3	-62.5	-175.4	166.7	-126.3	0	111.9	H200 C219 G220 D222 F226 E238	H200-K224 PolarHBondContact CE1-O 3.3Å; C219-K224 WeakPolarHBondContact CA-O 3.41Å; G220-K224 PolarHBondContact N-O 2.77Å; D222-K224 VanDerWaalsContact C-N 3.27Å; D222-K224 HydrophobicContact CB-CG 4.47Å; D222-K224 PolarHBondContact OD1-N 3.35Å; D222-K224 VanDerWaalsContact OD1-N 3.13Å; K224-F226 HydrophobicContact CB-CD2 4.41Å; K224-F226 HydrophobicContact CB-CE2 3.7Å; K224-F226 HydrophobicContact CB-CZ 4.1Å; K224-F226 HydrophobicContact CD-CE2 4.05Å; K224-F226 HydrophobicContact CD-CZ 3.79Å; K224-E238 IonicContact NZ-OE1 3.16Å; K224-E238 PolarHBondContact NZ-OE1 2.8Å
225	V	96	Very high	95.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	128.2	174.8	-176.6	0	0	0	0	108.3	S218 C219 L239 A248 V253 L265 T267	S218-V225 CarbonylContact O-C 3.52Å; S218-V225 VanDerWaalsContact O-CA 3.29Å; S218-V225 WeakPolarHBondContact O-CA 3.41Å; C219-V225 HydrophobicContact CB-CG2 3.88Å; V225-L239 HydrophobicContact CB-CB 4.19Å; V225-L239 HydrophobicContact CB-CD1 4.26Å; V225-L239 HydrophobicContact CB-CG 4.49Å; V225-L239 HydrophobicContact CG1-CD1 3.7Å; V225-L239 HydrophobicContact CG1-CG 4.29Å; V225-L239 PolarHBondContact O-N 2.74Å; V225-A248 HydrophobicContact CB-CB 3.92Å; V225-A248 HydrophobicContact CG2-CB 3.53Å; V225-V253 HydrophobicContact CG2-CG1 4.41Å; V225-V253 HydrophobicContact CG2-CG2 4.13Å; V225-L265 HydrophobicContact CG1-CD2 3.89Å; V225-T267 HydrophobicContact CG1-CG2 4.38Å; V225-T267 HydrophobicContact CG2-CG2 4.03Å
226	F	95.5	Very high	95.4	Very high	6 Å²	6	26.3 Å²	26.3	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149.4	-178.4	-63	-79.7	0	0	0	110.5	S199 H200 A217 S218 K224 Y228 N235 K237 E238	S199-F226 VanDerWaalsContact O-CE2 3.31Å; S199-F226 WeakPolarHBondContact O-CE2 3.21Å; S199-F226 VanDerWaalsContact O-CZ 3.28Å; S199-F226 WeakPolarHBondContact O-CZ 3.43Å; H200-F226 AromaticContact CE1-CD2 3.52Å; H200-F226 AromaticContact CE1-CE2 3.73Å; H200-F226 AromaticContact ND1-CE2 3.78Å; H200-F226 AromaticContact NE2-CD2 3.63Å; A217-F226 CarbonylContact C-O 3.57Å; A217-F226 WeakPolarHBondContact CA-O 2.87Å; S218-F226 PolarHBondContact N-O 3.31Å; S218-F226 PolarHBondContact O-N 3.19Å; K224-F226 HydrophobicContact CB-CD2 4.41Å; K224-F226 HydrophobicContact CB-CE2 3.7Å; K224-F226 HydrophobicContact CB-CZ 4.1Å; K224-F226 HydrophobicContact CD-CE2 4.05Å; K224-F226 HydrophobicContact CD-CZ 3.79Å; F226-Y228 HydrophobicContact CB-CD2 4.37Å; F226-Y228 HydrophobicContact CB-CE1 4.44Å; F226-Y228 HydrophobicContact CB-CE2 3.47Å; F226-Y228 VanDerWaalsContact CB-CE2 3.47Å; F226-Y228 WeakPolarHBondContact CB-OH 3.49Å; F226-N235 WeakPolarHBondContact CD1-ND2 3.46Å; F226-K237 CarbonylContact C-O 3.24Å; F226-K237 WeakPolarHBondContact CA-O 3.27Å; F226-E238 HydrophobicContact CD1-CB 3.74Å; F226-E238 HydrophobicContact CD1-CG 3.8Å; F226-E238 HydrophobicContact CE1-CB 3.71Å; F226-E238 VanDerWaalsContact CE1-CD 3.4Å; F226-E238 HydrophobicContact CE1-CG 3.44Å; F226-E238 VanDerWaalsContact CE1-CG 3.44Å; F226-E238 HydrophobicContact CZ-CG 4.18Å
227	V	95.1	Very high	95.1	Very high	18 Å²	18	32.3 Å²	32.3	11%	0.109	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133	173	-175.6	0	0	0	0	108.4	V215 F216 L236 K237 L239	V215-V227 HydrophobicContact CB-CG1 3.93Å; V215-V227 HydrophobicContact CG1-CG1 4.23Å; V215-V227 HydrophobicContact CG2-CG1 4.24Å; F216-V227 WeakPolarHBondContact O-CA 3.35Å; V227-L236 WeakPolarHBondContact O-CB 3.36Å; V227-L236 PolarHBondContact O-N 3.24Å; V227-K237 HydrophobicContact CB-CB 4.32Å; V227-K237 PolarHBondContact N-O 3.25Å; V227-K237 PolarHBondContact O-N 3.49Å; V227-K237 VanDerWaalsContact O-N 3.16Å; V227-L239 HydrophobicContact CG2-CD1 4.36Å; V227-L239 HydrophobicContact CG2-CD2 4.34Å; V227-L239 HydrophobicContact CG2-CG 4.3Å
228	Y	95.6	Very high	94.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	157.1	-175.2	-54.6	-97.3	0	0	0	111.2	V215 F216 S218 F226 G230 T234 N235	V215-Y228 WeakPolarHBondContact CA-O 3.3Å; V215-Y228 VanDerWaalsContact CB-O 3.26Å; V215-Y228 WeakPolarHBondContact CB-O 3.39Å; F216-Y228 AromaticContact CD2-CD2 3.74Å; F216-Y228 HydrophobicContact CD2-CD2 3.74Å; F216-Y228 HydrophobicContact CD2-CG 4.28Å; F216-Y228 VanDerWaalsContact CE1-CB 3.47Å; F216-Y228 HydrophobicContact CE1-CG 4.18Å; F216-Y228 HydrophobicContact CE2-CD1 4.47Å; F216-Y228 AromaticContact CE2-CD2 3.28Å; F216-Y228 HydrophobicContact CE2-CD2 3.28Å; F216-Y228 AromaticContact CE2-CE2 3.95Å; F216-Y228 HydrophobicContact CE2-CE2 3.95Å; F216-Y228 AromaticContact CE2-CG 3.59Å; F216-Y228 HydrophobicContact CE2-CG 3.59Å; F216-Y228 HydrophobicContact CZ-CD1 4.24Å; F216-Y228 AromaticContact CZ-CD2 3.77Å; F216-Y228 HydrophobicContact CZ-CD2 3.77Å; F216-Y228 AromaticContact CZ-CG 3.54Å; F216-Y228 HydrophobicContact CZ-CG 3.54Å; F216-Y228 PolarHBondContact N-O 3.12Å; F216-Y228 VanDerWaalsContact N-O 3.07Å; F216-Y228 PolarHBondContact O-N 2.75Å; S218-Y228 WeakPolarHBondContact OG-CE2 3.48Å; S218-Y228 PolarHBondContact OG-OH 3.12Å; F226-Y228 HydrophobicContact CB-CD2 4.37Å; F226-Y228 HydrophobicContact CB-CE1 4.44Å; F226-Y228 HydrophobicContact CB-CE2 3.47Å; F226-Y228 VanDerWaalsContact CB-CE2 3.47Å; F226-Y228 WeakPolarHBondContact CB-OH 3.49Å; Y228-G230 PolarHBondContact O-N 3.3Å; Y228-T234 CarbonylContact C-O 3.58Å; Y228-T234 WeakPolarHBondContact CA-O 3.39Å; Y228-T234 WeakPolarHBondContact CB-O 3.41Å; Y228-N235 HydrophobicContact CD1-CB 3.93Å; Y228-N235 HydrophobicContact CE1-CB 3.9Å
229	D	95.1	Very high	94.6	Very high	45 Å²	45	36 Å²	36	24%	0.241	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	132.6	167.8	-179.5	-89.5	0	0	0	110.6	F216 T231 E232 G233 T234 L236	F216-D229 WeakPolarHBondContact CE1-O 3.28Å; D229-T231 VanDerWaalsContact C-N 3.26Å; D229-T231 PolarHBondContact O-N 3.49Å; D229-T231 WeakPolarHBondContact OD1-CA 3.29Å; D229-T231 PolarHBondContact OD1-N 3.33Å; D229-E232 PolarHBondContact OD1-N 3.44Å; D229-G233 VanDerWaalsContact O-CA 3.28Å; D229-G233 WeakPolarHBondContact O-CA 3.38Å; D229-G233 PolarHBondContact O-N 3.46Å; D229-T234 VanDerWaalsContact CB-OG1 3.26Å; D229-T234 WeakPolarHBondContact CB-OG1 3.19Å; D229-T234 PolarHBondContact N-O 3.39Å; D229-L236 HydrophobicContact CB-CD1 4.24Å; D229-L236 HydrophobicContact CB-CD2 4.33Å; D229-L236 HydrophobicContact CB-CG 4.34Å
230	G	94.1	Very high	94.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-21.9	-173.8	0	0	0	0	0	115	Y209 D214 Y228	Y209-G230 WeakPolarHBondContact CE1-O 3.38Å; Y209-G230 PolarHBondContact OH-O 2.7Å; D214-G230 WeakPolarHBondContact O-CA 3.12Å; D214-G230 PolarHBondContact O-N 3.21Å; Y228-G230 PolarHBondContact O-N 3.3Å
231	T	95.8	Very high	93.8	Very high	31 Å²	31	40.8 Å²	40.8	19%	0.19	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-41.6	-171.7	-53.2	0	0	0	0	112.4	P171 R173 K194 D229	P171-T231 HydrophobicContact CG-CG2 3.82Å; R173-T231 PolarHBondContact NE-O 2.75Å; K194-T231 PolarHBondContact NZ-O 3.29Å; D229-T231 VanDerWaalsContact C-N 3.26Å; D229-T231 PolarHBondContact O-N 3.49Å; D229-T231 WeakPolarHBondContact OD1-CA 3.29Å; D229-T231 PolarHBondContact OD1-N 3.33Å
232	E	94.8	Very high	93.3	Very high	95 Å²	95	46.2 Å²	46.2	44%	0.444	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-26	-176.3	-60.3	-50.5	122.3	0	0	112.7	K194 D229 T234	K194-E232 VanDerWaalsContact CE-OE2 3.31Å; K194-E232 WeakPolarHBondContact CE-OE2 3.36Å; K194-E232 IonicContact NZ-OE1 2.77Å; K194-E232 PolarHBondContact NZ-OE1 3.5Å; K194-E232 IonicContact NZ-OE2 2.7Å; K194-E232 PolarHBondContact NZ-OE2 2.96Å; D229-E232 PolarHBondContact OD1-N 3.44Å; E232-T234 VanDerWaalsContact C-N 3.29Å; E232-T234 HydrophobicContact CB-CG2 4.17Å
233	G	93.1	Very high	92.9	Very high	12 Å²	12	47.7 Å²	47.7	12%	0.124	26%	0.263	C	S	.	.			trans	74.4	18.6	-177.4	0	0	0	0	0	113.9	D229	D229-G233 VanDerWaalsContact O-CA 3.28Å; D229-G233 WeakPolarHBondContact O-CA 3.38Å; D229-G233 PolarHBondContact O-N 3.46Å
234	T	94.4	Very high	92.6	Very high	77 Å²	77	48 Å²	48	47%	0.472	26%	0.264	S	S	.	.			trans	-70.2	138.1	173.5	51.2	0	0	0	0	110.1	Y228 D229 E232 L236	Y228-T234 CarbonylContact C-O 3.58Å; Y228-T234 WeakPolarHBondContact CA-O 3.39Å; Y228-T234 WeakPolarHBondContact CB-O 3.41Å; D229-T234 VanDerWaalsContact CB-OG1 3.26Å; D229-T234 WeakPolarHBondContact CB-OG1 3.19Å; D229-T234 PolarHBondContact N-O 3.39Å; E232-T234 VanDerWaalsContact C-N 3.29Å; E232-T234 HydrophobicContact CB-CG2 4.17Å; T234-L236 PolarHBondContact O-N 2.7Å
235	N	92.4	Very high	92	Very high	67 Å²	67	52.5 Å²	52.5	36%	0.358	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	118.5	176.8	-170.2	-32.9	0	0	0	109.4	S199 F226 Y228 K237	S199-N235 PolarHBondContact OG-ND2 2.78Å; F226-N235 WeakPolarHBondContact CD1-ND2 3.46Å; Y228-N235 HydrophobicContact CD1-CB 3.93Å; Y228-N235 HydrophobicContact CE1-CB 3.9Å; N235-K237 PolarHBondContact OD1-N 2.77Å
236	L	92.4	Very high	91.5	Very high	99 Å²	99	56.8 Å²	56.8	52%	0.518	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-38.2	-178.1	-61.9	177.4	0	0	0	111.9	V215 V227 D229 T234	V215-L236 HydrophobicContact CG1-CD1 3.86Å; V227-L236 WeakPolarHBondContact O-CB 3.36Å; V227-L236 PolarHBondContact O-N 3.24Å; D229-L236 HydrophobicContact CB-CD1 4.24Å; D229-L236 HydrophobicContact CB-CD2 4.33Å; D229-L236 HydrophobicContact CB-CG 4.34Å; T234-L236 PolarHBondContact O-N 2.7Å
237	K	89.9	Confident	91.3	Very high	130 Å²	130	57.7 Å²	57.7	57%	0.565	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.7	135.9	-171.9	-169.6	176.1	-179.4	-176.3	0	111.5	F226 V227 N235 L239	F226-K237 CarbonylContact C-O 3.24Å; F226-K237 WeakPolarHBondContact CA-O 3.27Å; V227-K237 HydrophobicContact CB-CB 4.32Å; V227-K237 PolarHBondContact N-O 3.25Å; V227-K237 PolarHBondContact O-N 3.49Å; V227-K237 VanDerWaalsContact O-N 3.16Å; N235-K237 PolarHBondContact OD1-N 2.77Å; K237-L239 HydrophobicContact CD-CD2 3.92Å; K237-L239 HydrophobicContact CG-CD2 4.22Å
238	E	92.5	Very high	91.2	Very high	63 Å²	63	56.8 Å²	56.8	29%	0.294	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.2	161.2	-173.9	170	-175.2	0	0	108.7	K224 F226 L240	K224-E238 IonicContact NZ-OE1 3.16Å; K224-E238 PolarHBondContact NZ-OE1 2.8Å; F226-E238 HydrophobicContact CD1-CB 3.74Å; F226-E238 HydrophobicContact CD1-CG 3.8Å; F226-E238 HydrophobicContact CE1-CB 3.71Å; F226-E238 VanDerWaalsContact CE1-CD 3.4Å; F226-E238 HydrophobicContact CE1-CG 3.44Å; F226-E238 VanDerWaalsContact CE1-CG 3.44Å; F226-E238 HydrophobicContact CZ-CG 4.18Å; E238-L240 HydrophobicContact CG-CD2 3.77Å; E238-L240 HydrophobicContact CG-CG 4.18Å
239	L	91.4	Very high	91.1	Very high	15 Å²	15	56.9 Å²	56.9	8%	0.079	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123	174.6	-57.2	-176.2	0	0	0	108.7	V225 V227 K237 A248 L265 W277	V225-L239 HydrophobicContact CB-CB 4.19Å; V225-L239 HydrophobicContact CB-CD1 4.26Å; V225-L239 HydrophobicContact CB-CG 4.49Å; V225-L239 HydrophobicContact CG1-CD1 3.7Å; V225-L239 HydrophobicContact CG1-CG 4.29Å; V225-L239 PolarHBondContact O-N 2.74Å; V227-L239 HydrophobicContact CG2-CD1 4.36Å; V227-L239 HydrophobicContact CG2-CD2 4.34Å; V227-L239 HydrophobicContact CG2-CG 4.3Å; K237-L239 HydrophobicContact CD-CD2 3.92Å; K237-L239 HydrophobicContact CG-CD2 4.22Å; L239-A248 WeakPolarHBondContact O-CB 3.22Å; L239-L265 HydrophobicContact CD1-CD2 4.04Å; L239-W277 HydrophobicContact CB-CD2 4.06Å; L239-W277 HydrophobicContact CB-CE3 3.68Å; L239-W277 HydrophobicContact CB-CH2 4.32Å; L239-W277 HydrophobicContact CB-CZ3 3.81Å; L239-W277 HydrophobicContact CD1-CB 3.98Å; L239-W277 HydrophobicContact CD1-CD2 3.66Å; L239-W277 HydrophobicContact CD1-CE3 4.03Å; L239-W277 HydrophobicContact CD1-CG 3.58Å; L239-W277 HydrophobicContact CG-CD2 4.4Å; L239-W277 HydrophobicContact CG-CE3 4.3Å
240	L	90.8	Very high	91	Very high	91 Å²	91	62 Å²	62	48%	0.476	34%	0.343	S	S	.	.			trans	-124.8	137.1	-174.6	-61.9	174.7	0	0	0	109.3	E238 S246	E238-L240 HydrophobicContact CG-CD2 3.77Å; E238-L240 HydrophobicContact CG-CG 4.18Å; L240-S246 WeakPolarHBondContact CD2-O 3.49Å
241	D	88.3	Confident	91	Very high	10 Å²	10	63 Å²	63	5%	0.053	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-109.5	120.2	163.4	172.2	2.6	0	0	0	108.3	A243 C244 C247 K275 W277	D241-A243 PolarHBondContact O-N 3.27Å; D241-A243 VanDerWaalsContact O-N 3.12Å; D241-A243 WeakPolarHBondContact OD1-CB 3.45Å; D241-A243 PolarHBondContact OD1-N 2.9Å; D241-C244 HydrophobicContact CB-CB 4.04Å; D241-C244 PolarHBondContact O-N 2.83Å; D241-C244 PolarHBondContact OD2-SG 3.15Å; D241-C247 PolarHBondContact N-O 2.81Å; D241-K275 IonicContact OD2-NZ 3.19Å; D241-K275 PolarHBondContact OD2-NZ 2.81Å; D241-W277 HydrophobicContact CB-CH2 4.31Å
242	P	85	Confident	91	Very high	127 Å²	127	62 Å²	62	83%	0.825	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-51.6	-31.2	175.4	-26.1	34.7	0	0	0	114.2	C244	P242-C244 PolarHBondContact O-N 2.84Å
243	A	87.2	Confident	91	Very high	59 Å²	59	57.5 Å²	57.5	49%	0.488	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-75.5	-6.7	177.8	0	0	0	0	0	113.7	D241 K250	D241-A243 PolarHBondContact O-N 3.27Å; D241-A243 VanDerWaalsContact O-N 3.12Å; D241-A243 WeakPolarHBondContact OD1-CB 3.45Å; D241-A243 PolarHBondContact OD1-N 2.9Å; A243-K250 WeakPolarHBondContact O-CE 3.11Å
244	C	88.6	Confident	91.2	Very high	7 Å²	7	58 Å²	58	5%	0.047	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-115.9	28.6	-172.9	-65.6	0	0	0	0	114	D241 P242 S246 C247 K250 K275	D241-C244 HydrophobicContact CB-CB 4.04Å; D241-C244 PolarHBondContact O-N 2.83Å; D241-C244 PolarHBondContact OD2-SG 3.15Å; P242-C244 PolarHBondContact O-N 2.84Å; C244-S246 PolarHBondContact O-N 3.26Å; C244-C247 WeakPolarHBondContact CB-O 3.49Å; C244-C247 WeakPolarHBondContact O-CB 3.35Å; C244-C247 PolarHBondContact O-N 2.85Å; C244-C247 VanDerWaalsContact O-N 3.1Å; C244-K250 HydrophobicContact CB-CG 4.22Å; C244-K275 PolarHBondContact SG-NZ 3.2Å
245	N	83.6	Confident	91.3	Very high	151 Å²	151	54.7 Å²	54.7	81%	0.807	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	54.1	173.7	-68.6	-16.6	0	0	0	114.1	C247	N245-C247 VanDerWaalsContact C-N 3.26Å; N245-C247 PolarHBondContact O-N 3.24Å
246	S	84.9	Confident	91.4	Very high	90 Å²	90	51.8 Å²	51.8	63%	0.629	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	27.8	-179	-43.7	0	0	0	0	114.5	L240 C244	L240-S246 WeakPolarHBondContact CD2-O 3.49Å; C244-S246 PolarHBondContact O-N 3.26Å
247	C	92.7	Very high	91.6	Very high	24 Å²	24	47.8 Å²	47.8	16%	0.162	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-124.6	169.4	169.4	-66.9	0	0	0	0	110	D241 C244 N245 H249	D241-C247 PolarHBondContact N-O 2.81Å; C244-C247 WeakPolarHBondContact CB-O 3.49Å; C244-C247 WeakPolarHBondContact O-CB 3.35Å; C244-C247 PolarHBondContact O-N 2.85Å; C244-C247 VanDerWaalsContact O-N 3.1Å; N245-C247 VanDerWaalsContact C-N 3.26Å; N245-C247 PolarHBondContact O-N 3.24Å; C247-H249 WeakPolarHBondContact CB-O 3.26Å
248	A	92.3	Very high	91.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-74.9	-35.8	173.3	0	0	0	0	0	111	G223 V225 L239 K275 W277	G223-A248 WeakPolarHBondContact O-CB 3.48Å; G223-A248 PolarHBondContact O-N 2.9Å; V225-A248 HydrophobicContact CB-CB 3.92Å; V225-A248 HydrophobicContact CG2-CB 3.53Å; L239-A248 WeakPolarHBondContact O-CB 3.22Å; A248-K275 PolarHBondContact O-NZ 3.01Å; A248-W277 VanDerWaalsContact CA-CH2 3.48Å; A248-W277 HydrophobicContact CB-CH2 3.52Å; A248-W277 HydrophobicContact CB-CZ2 3.51Å; A248-W277 WeakPolarHBondContact O-CH2 3.44Å
249	H	93.9	Very high	91.6	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	24%	0.239	C	C	.	.	S	Bend	trans	-136.9	156.8	-177	-80.9	-87.6	0	0	0	111	G223 C247 G251 V253 T267 S269 D271 T273	G223-H249 PolarHBondContact O-N 3.16Å; C247-H249 WeakPolarHBondContact CB-O 3.26Å; H249-G251 WeakPolarHBondContact CB-O 3.5Å; H249-G251 PolarHBondContact O-N 2.76Å; H249-V253 HydrophobicContact CB-CG2 3.89Å; H249-T267 PolarHBondContact NE2-OG1 3.06Å; H249-S269 WeakPolarHBondContact CB-OG 3.48Å; H249-S269 VanDerWaalsContact ND1-CB 3.26Å; H249-S269 WeakPolarHBondContact ND1-CB 3.21Å; H249-D271 WeakPolarHBondContact CB-OD2 3.49Å; H249-D271 IonicContact CG-OD2 2.96Å; H249-D271 IonicContact ND1-OD1 3.73Å; H249-D271 PolarHBondContact ND1-OD1 3.25Å; H249-D271 IonicContact ND1-OD2 3.85Å; H249-D271 PolarHBondContact ND1-OD2 3.18Å; H249-T273 PolarHBondContact CE1-OG1 3.08Å; H249-T273 VanDerWaalsContact CE1-OG1 3.28Å; H249-T273 PolarHBondContact ND1-OG1 2.83Å; H249-T273 VanDerWaalsContact ND1-OG1 3.14Å
250	K	93.2	Very high	91.4	Very high	153 Å²	153	44 Å²	44	67%	0.665	26%	0.264	S	S	*	.	S	Bend	trans	-76.7	-11.3	176.4	-68.3	174.6	-176.9	165.2	0	112.7	A243 C244 D271	A243-K250 WeakPolarHBondContact O-CE 3.11Å; C244-K250 HydrophobicContact CB-CG 4.22Å; K250-D271 HydrophobicContact CB-CB 4.1Å; K250-D271 PolarHBondContact N-OD2 2.94Å
251	G	93.5	Very high	91.2	Very high	19 Å²	19	43.7 Å²	43.7	20%	0.196	27%	0.266	C	S	.	.	S	Bend	trans	-136.6	173.9	178.7	0	0	0	0	0	111.2	G223 H249 S269	G223-G251 WeakPolarHBondContact CA-O 3.39Å; H249-G251 WeakPolarHBondContact CB-O 3.5Å; H249-G251 PolarHBondContact O-N 2.76Å; G251-S269 PolarHBondContact O-OG 2.81Å
252	G	95.2	Very high	91	Very high	11 Å²	11	43.9 Å²	43.9	11%	0.113	27%	0.271	C	S	.	.			trans	-60.3	136.7	179.5	0	0	0	0	0	112.6	S269 A270	G252-S269 WeakPolarHBondContact O-CA 3.32Å; G252-S269 PolarHBondContact O-OG 2.85Å; G252-A270 WeakPolarHBondContact O-CB 3.28Å; G252-A270 PolarHBondContact O-N 2.74Å
253	V	96.4	Very high	91	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	127.7	177.9	-167.3	0	0	0	0	108.7	Q205 C219 G220 V225 H249 T267 A268	Q205-V253 WeakPolarHBondContact CB-O 3.44Å; Q205-V253 WeakPolarHBondContact CG-O 3.5Å; C219-V253 HydrophobicContact CB-CB 3.74Å; C219-V253 HydrophobicContact CB-CG1 3.6Å; C219-V253 VanDerWaalsContact SG-CG1 3.56Å; G220-V253 CarbonylContact C-O 3.4Å; G220-V253 PolarHBondContact O-N 2.82Å; V225-V253 HydrophobicContact CG2-CG1 4.41Å; V225-V253 HydrophobicContact CG2-CG2 4.13Å; H249-V253 HydrophobicContact CB-CG2 3.89Å; V253-T267 HydrophobicContact CG1-CG2 4.41Å; V253-A268 WeakPolarHBondContact CG1-O 3.44Å
254	Y	96.2	Very high	91.1	Very high	24 Å²	24	45.3 Å²	45.3	9%	0.094	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-32	-174.7	-67.6	-66.7	0	0	0	113.4	G36 P38 A268 A270 Q288 L289	G36-Y254 WeakPolarHBondContact CA-OH 3.5Å; G36-Y254 WeakPolarHBondContact O-CE1 3.48Å; P38-Y254 HydrophobicContact CB-CD1 4.32Å; P38-Y254 WeakPolarHBondContact CB-O 3.28Å; Y254-A268 PolarHBondContact N-O 2.91Å; Y254-A270 HydrophobicContact CE2-CB 3.57Å; Y254-Q288 VanDerWaalsContact CD2-O 3.27Å; Y254-Q288 WeakPolarHBondContact CD2-O 3.2Å; Y254-L289 HydrophobicContact CD2-CD2 3.8Å; Y254-L289 HydrophobicContact CE2-CD2 3.74Å; Y254-L289 HydrophobicContact CG-CD2 4.33Å
255	A	96.1	Very high	91.3	Very high	7 Å²	7	45.1 Å²	45.1	6%	0.058	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	157.2	-176.3	0	0	0	0	0	111.8	T267 A268	A255-T267 WeakPolarHBondContact O-CA 3.38Å; A255-A268 HydrophobicContact CB-CB 4.44Å; A255-A268 PolarHBondContact O-N 3.13Å
256	L	95.6	Very high	91.7	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	150.9	172.2	62.4	85.1	0	0	0	110.1	C206 R208 A217 C219 L265 L266 T267	C206-L256 HydrophobicContact CB-CG 4.3Å; R208-L256 HydrophobicContact CB-CD1 3.43Å; R208-L256 VanDerWaalsContact CB-CD1 3.43Å; R208-L256 HydrophobicContact CG-CD1 3.51Å; R208-L256 HydrophobicContact CG-CG 4.49Å; A217-L256 HydrophobicContact CB-CD1 4.23Å; A217-L256 HydrophobicContact CB-CD2 4.03Å; C219-L256 HydrophobicContact CB-CD2 3.83Å; L256-L265 HydrophobicContact CB-CD1 4.22Å; L256-L265 HydrophobicContact CB-CG 4.49Å; L256-L265 HydrophobicContact CD1-CD1 4.06Å; L256-L266 CarbonylContact C-O 3.59Å; L256-L266 WeakPolarHBondContact CA-O 3.41Å; L256-T267 HydrophobicContact CB-CG2 4.08Å
257	S	95.4	Very high	92.2	Very high	15 Å²	15	33.6 Å²	33.6	11%	0.105	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	131.8	175.9	-171.9	0	0	0	0	110.6	L266 W293	S257-L266 PolarHBondContact N-O 3.2Å; S257-L266 PolarHBondContact O-N 3.22Å; S257-W293 PolarHBondContact OG-N 3.17Å
258	W	92.7	Very high	92.2	Very high	28 Å²	28	32.5 Å²	32.5	11%	0.106	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	148.8	173.4	-66.9	96.7	0	0	0	111.2	R208 V215 A217 G262 L265	R208-W258 PolarHBondContact O-NE1 2.96Å; V215-W258 HydrophobicContact CG2-CH2 3.85Å; V215-W258 HydrophobicContact CG2-CZ2 4Å; A217-W258 HydrophobicContact CB-CZ2 3.61Å; W258-G262 VanDerWaalsContact CZ3-O 3.26Å; W258-G262 WeakPolarHBondContact CZ3-O 3.22Å; W258-L265 HydrophobicContact CD2-CD1 3.59Å; W258-L265 HydrophobicContact CE3-CB 4.28Å; W258-L265 HydrophobicContact CE3-CD1 4.02Å; W258-L265 HydrophobicContact CG-CD1 3.88Å; W258-L265 HydrophobicContact CZ2-CD1 4.17Å; W258-L265 HydrophobicContact CZ3-CB 4.32Å; W258-L265 HydrophobicContact CZ3-CD1 4.47Å
259	N	90.3	Very high	92.4	Very high	13 Å²	13	32.5 Å²	32.5	7%	0.07	18%	0.176	C	C	.	.			trans	-70.2	167.4	163.8	80.5	-1.6	0	0	0	110.9	P211 T261 G262 K263 Q264 W293	P211-N259 WeakPolarHBondContact CG-O 3Å; N259-T261 PolarHBondContact ND2-OG1 3.34Å; N259-T261 VanDerWaalsContact ND2-OG1 3.16Å; N259-T261 PolarHBondContact O-N 3.2Å; N259-T261 VanDerWaalsContact O-N 3.12Å; N259-T261 PolarHBondContact OD1-N 3.16Å; N259-T261 PolarHBondContact OD1-OG1 2.79Å; N259-G262 PolarHBondContact O-N 3.49Å; N259-G262 PolarHBondContact OD1-N 2.75Å; N259-K263 PolarHBondContact OD1-N 3.23Å; N259-K263 VanDerWaalsContact OD1-N 3.14Å; N259-Q264 HydrophobicContact CB-CB 4.49Å; N259-Q264 PolarHBondContact N-O 3.1Å; N259-Q264 PolarHBondContact ND2-OE1 3.08Å; N259-Q264 PolarHBondContact OD1-N 2.63Å; N259-W293 HydrophobicContact CB-CD2 3.52Å; N259-W293 VanDerWaalsContact CB-CE2 3.49Å; N259-W293 HydrophobicContact CB-CE3 3.73Å; N259-W293 HydrophobicContact CB-CG 4.09Å; N259-W293 HydrophobicContact CB-CH2 3.96Å; N259-W293 HydrophobicContact CB-CZ2 3.74Å; N259-W293 HydrophobicContact CB-CZ3 3.95Å
260	S	88.2	Confident	92.3	Very high	87 Å²	87	33.2 Å²	33.2	61%	0.608	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.7	-177.7	56.4	0	0	0	0	114.1
261	T	85.7	Confident	92.2	Very high	86 Å²	86	27.6 Å²	27.6	53%	0.528	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-14.7	178.6	69.9	0	0	0	0	113.8	N259 K263	N259-T261 PolarHBondContact ND2-OG1 3.34Å; N259-T261 VanDerWaalsContact ND2-OG1 3.16Å; N259-T261 PolarHBondContact O-N 3.2Å; N259-T261 VanDerWaalsContact O-N 3.12Å; N259-T261 PolarHBondContact OD1-N 3.16Å; N259-T261 PolarHBondContact OD1-OG1 2.79Å; T261-K263 PolarHBondContact O-N 3.06Å; T261-K263 PolarHBondContact OG1-N 2.79Å
262	G	84.6	Confident	92.1	Very high	14 Å²	14	33.8 Å²	33.8	14%	0.144	18%	0.177	C	C	.	.	S	Bend	trans	71.1	8.4	-172.1	0	0	0	0	0	115.5	W258 N259	W258-G262 VanDerWaalsContact CZ3-O 3.26Å; W258-G262 WeakPolarHBondContact CZ3-O 3.22Å; N259-G262 PolarHBondContact O-N 3.49Å; N259-G262 PolarHBondContact OD1-N 2.75Å
263	K	83.8	Confident	91.8	Very high	167 Å²	167	34.1 Å²	34.1	73%	0.726	18%	0.177	S	C	*	.	S	Bend	trans	-86.7	-31.6	-178.5	-66.9	-174.3	177.6	-177.3	0	113.5	N259 T261	N259-K263 PolarHBondContact OD1-N 3.23Å; N259-K263 VanDerWaalsContact OD1-N 3.14Å; T261-K263 PolarHBondContact O-N 3.06Å; T261-K263 PolarHBondContact OG1-N 2.79Å
264	Q	90.4	Very high	91.5	Very high	48 Å²	48	34.2 Å²	34.2	22%	0.224	18%	0.177	C	C	.	.			trans	-120	147.9	-177.7	-60.4	178.7	-58.2	0	0	110.4	N259 I276 D278 W293	N259-Q264 HydrophobicContact CB-CB 4.49Å; N259-Q264 PolarHBondContact N-O 3.1Å; N259-Q264 PolarHBondContact ND2-OE1 3.08Å; N259-Q264 PolarHBondContact OD1-N 2.63Å; Q264-I276 HydrophobicContact CB-CG2 4.08Å; Q264-D278 HydrophobicContact CG-CB 4.24Å; Q264-W293 HydrophobicContact CB-CH2 3.64Å; Q264-W293 HydrophobicContact CB-CZ3 3.73Å; Q264-W293 HydrophobicContact CG-CH2 4.48Å
265	L	91.7	Very high	91.2	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.7	179.7	-172.5	72.7	0	0	0	109.6	A217 V225 L239 L256 W258 T267 I276 W277	A217-L265 HydrophobicContact CB-CD1 4.27Å; A217-L265 HydrophobicContact CB-CD2 3.87Å; V225-L265 HydrophobicContact CG1-CD2 3.89Å; L239-L265 HydrophobicContact CD1-CD2 4.04Å; L256-L265 HydrophobicContact CB-CD1 4.22Å; L256-L265 HydrophobicContact CB-CG 4.49Å; L256-L265 HydrophobicContact CD1-CD1 4.06Å; W258-L265 HydrophobicContact CD2-CD1 3.59Å; W258-L265 HydrophobicContact CE3-CB 4.28Å; W258-L265 HydrophobicContact CE3-CD1 4.02Å; W258-L265 HydrophobicContact CG-CD1 3.88Å; W258-L265 HydrophobicContact CZ2-CD1 4.17Å; W258-L265 HydrophobicContact CZ3-CB 4.32Å; W258-L265 HydrophobicContact CZ3-CD1 4.47Å; L265-T267 HydrophobicContact CD2-CG2 4.08Å; L265-T267 HydrophobicContact CG-CG2 4.32Å; L265-I276 CarbonylContact O-C 3.17Å; L265-I276 VanDerWaalsContact O-CA 3.3Å; L265-I276 WeakPolarHBondContact O-CA 3.47Å; L265-W277 HydrophobicContact CB-CB 4.28Å; L265-W277 PolarHBondContact O-N 3.44Å
266	L	93.7	Very high	90.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.6	168.4	176.4	64.1	0	0	0	109	L256 S257 C274 K275 I276 C291 W293 L298 L310	L256-L266 CarbonylContact C-O 3.59Å; L256-L266 WeakPolarHBondContact CA-O 3.41Å; S257-L266 PolarHBondContact N-O 3.2Å; S257-L266 PolarHBondContact O-N 3.22Å; L266-C274 HydrophobicContact CD1-CB 4.06Å; L266-K275 CarbonylContact C-O 3.53Å; L266-K275 VanDerWaalsContact CA-O 3.32Å; L266-K275 WeakPolarHBondContact CA-O 3.47Å; L266-I276 HydrophobicContact CD1-CG1 4.15Å; L266-C291 HydrophobicContact CD2-CB 3.75Å; L266-C291 HydrophobicContact CG-CB 4.01Å; L266-W293 HydrophobicContact CB-CE3 3.67Å; L266-W293 HydrophobicContact CB-CZ3 4.17Å; L266-L298 HydrophobicContact CD1-CD2 4.37Å; L266-L298 HydrophobicContact CD2-CB 4.33Å; L266-L298 HydrophobicContact CD2-CD2 4.29Å; L266-L310 HydrophobicContact CD1-CD1 4.12Å
267	T	94.6	Very high	90.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.1	174.5	53.2	0	0	0	0	111.5	V225 H249 V253 A255 L256 L265 C274 K275 W277	V225-T267 HydrophobicContact CG1-CG2 4.38Å; V225-T267 HydrophobicContact CG2-CG2 4.03Å; H249-T267 PolarHBondContact NE2-OG1 3.06Å; V253-T267 HydrophobicContact CG1-CG2 4.41Å; A255-T267 WeakPolarHBondContact O-CA 3.38Å; L256-T267 HydrophobicContact CB-CG2 4.08Å; L265-T267 HydrophobicContact CD2-CG2 4.08Å; L265-T267 HydrophobicContact CG-CG2 4.32Å; T267-C274 CarbonylContact O-C 3.55Å; T267-C274 WeakPolarHBondContact O-CA 3.4Å; T267-K275 PolarHBondContact N-O 2.89Å; T267-K275 PolarHBondContact O-N 3.02Å; T267-K275 PolarHBondContact OG1-O 2.9Å; T267-W277 VanDerWaalsContact CG2-NE1 3.28Å; T267-W277 PolarHBondContact OG1-NE1 2.92Å
268	A	93.5	Very high	88.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.5	178.4	0	0	0	0	0	111.5	V253 Y254 A255 Q288 C291	V253-A268 WeakPolarHBondContact CG1-O 3.44Å; Y254-A268 PolarHBondContact N-O 2.91Å; A255-A268 HydrophobicContact CB-CB 4.44Å; A255-A268 PolarHBondContact O-N 3.13Å; A268-Q288 HydrophobicContact CB-CB 3.78Å; A268-C291 HydrophobicContact CB-CB 3.93Å
269	S	94.8	Very high	86.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	157.2	-166.4	175.8	0	0	0	0	115.5	H249 G251 G252 D271 R272 T273 Q288	H249-S269 WeakPolarHBondContact CB-OG 3.48Å; H249-S269 VanDerWaalsContact ND1-CB 3.26Å; H249-S269 WeakPolarHBondContact ND1-CB 3.21Å; G251-S269 PolarHBondContact O-OG 2.81Å; G252-S269 WeakPolarHBondContact O-CA 3.32Å; G252-S269 PolarHBondContact O-OG 2.85Å; S269-D271 WeakPolarHBondContact CB-OD1 3.33Å; S269-D271 PolarHBondContact O-N 2.93Å; S269-D271 PolarHBondContact OG-N 2.93Å; S269-D271 PolarHBondContact OG-OD1 3.22Å; S269-D271 VanDerWaalsContact OG-OD1 3.07Å; S269-D271 PolarHBondContact OG-OD2 3.04Å; S269-R272 PolarHBondContact O-N 2.95Å; S269-T273 PolarHBondContact N-O 2.93Å; S269-Q288 PolarHBondContact O-N 2.8Å
270	A	93.5	Very high	84.2	Confident	18 Å²	18	46.9 Å²	46.9	15%	0.149	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.4	170.1	0	0	0	0	0	113.8	G252 Y254 R272 Q287	G252-A270 WeakPolarHBondContact O-CB 3.28Å; G252-A270 PolarHBondContact O-N 2.74Å; Y254-A270 HydrophobicContact CE2-CB 3.57Å; A270-R272 PolarHBondContact O-N 2.69Å; A270-Q287 WeakPolarHBondContact O-CG 3.44Å
271	D	91	Very high	82.2	Confident	35 Å²	35	43 Å²	43	19%	0.187	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	5.6	175.5	66.7	13.5	0	0	0	113.9	H249 K250 S269 T273	H249-D271 WeakPolarHBondContact CB-OD2 3.49Å; H249-D271 IonicContact CG-OD2 2.96Å; H249-D271 IonicContact ND1-OD1 3.73Å; H249-D271 PolarHBondContact ND1-OD1 3.25Å; H249-D271 IonicContact ND1-OD2 3.85Å; H249-D271 PolarHBondContact ND1-OD2 3.18Å; K250-D271 HydrophobicContact CB-CB 4.1Å; K250-D271 PolarHBondContact N-OD2 2.94Å; S269-D271 WeakPolarHBondContact CB-OD1 3.33Å; S269-D271 PolarHBondContact O-N 2.93Å; S269-D271 PolarHBondContact OG-N 2.93Å; S269-D271 PolarHBondContact OG-OD1 3.22Å; S269-D271 VanDerWaalsContact OG-OD1 3.07Å; S269-D271 PolarHBondContact OG-OD2 3.04Å; D271-T273 VanDerWaalsContact C-N 3.3Å; D271-T273 VanDerWaalsContact CG-OG1 3.31Å; D271-T273 WeakPolarHBondContact OD1-CB 3.16Å; D271-T273 PolarHBondContact OD1-N 3.16Å; D271-T273 PolarHBondContact OD1-OG1 3.11Å; D271-T273 PolarHBondContact OD2-OG1 3.5Å
272	R	90	Very high	80.4	Confident	148 Å²	148	42.7 Å²	42.7	56%	0.558	21%	0.208	S	C	*	.	S	Bend	trans	71.6	20.9	178.4	-38	177	-149.8	176	6.8	113.9	S269 A270 V284 D286	S269-R272 PolarHBondContact O-N 2.95Å; A270-R272 PolarHBondContact O-N 2.69Å; R272-V284 VanDerWaalsContact CB-O 3.31Å; R272-V284 WeakPolarHBondContact CB-O 3.25Å; R272-V284 PolarHBondContact O-N 3.19Å; R272-V284 VanDerWaalsContact O-N 3.1Å; R272-V284 VanDerWaalsContact O-O 3.05Å; R272-D286 WeakPolarHBondContact CA-O 3.19Å; R272-D286 WeakPolarHBondContact CB-O 3.27Å
273	T	89.8	Confident	78.7	Confident	19 Å²	19	44.3 Å²	44.3	12%	0.117	21%	0.214	C	C	.	.			trans	-116.3	158.2	176	71.4	0	0	0	0	111.9	H249 S269 D271	H249-T273 PolarHBondContact CE1-OG1 3.08Å; H249-T273 VanDerWaalsContact CE1-OG1 3.28Å; H249-T273 PolarHBondContact ND1-OG1 2.83Å; H249-T273 VanDerWaalsContact ND1-OG1 3.14Å; S269-T273 PolarHBondContact N-O 2.93Å; D271-T273 VanDerWaalsContact C-N 3.3Å; D271-T273 VanDerWaalsContact CG-OG1 3.31Å; D271-T273 WeakPolarHBondContact OD1-CB 3.16Å; D271-T273 PolarHBondContact OD1-N 3.16Å; D271-T273 PolarHBondContact OD1-OG1 3.11Å; D271-T273 PolarHBondContact OD2-OG1 3.5Å
274	C	89.9	Confident	77.4	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.1	164.7	-70.5	0	0	0	0	108.8	L266 T267 V281 S300 L310	L266-C274 HydrophobicContact CD1-CB 4.06Å; T267-C274 CarbonylContact O-C 3.55Å; T267-C274 WeakPolarHBondContact O-CA 3.4Å; C274-V281 CarbonylContact O-C 3.53Å; C274-V281 WeakPolarHBondContact O-CB 3.02Å; C274-S300 VanDerWaalsContact SG-CB 3.5Å; C274-L310 HydrophobicContact CB-CD1 3.63Å
275	K	90.1	Very high	75.9	Confident	7 Å²	7	41.8 Å²	41.8	3%	0.03	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	138.4	-177.7	-70.8	-178.6	-174.7	179.6	0	111.4	D241 C244 A248 L266 T267 W277	D241-K275 IonicContact OD2-NZ 3.19Å; D241-K275 PolarHBondContact OD2-NZ 2.81Å; C244-K275 PolarHBondContact SG-NZ 3.2Å; A248-K275 PolarHBondContact O-NZ 3.01Å; L266-K275 CarbonylContact C-O 3.53Å; L266-K275 VanDerWaalsContact CA-O 3.32Å; L266-K275 WeakPolarHBondContact CA-O 3.47Å; T267-K275 PolarHBondContact N-O 2.89Å; T267-K275 PolarHBondContact O-N 3.02Å; T267-K275 PolarHBondContact OG1-O 2.9Å; K275-W277 HydrophobicContact CB-CZ2 4.13Å; K275-W277 HydrophobicContact CD-CH2 4.16Å; K275-W277 HydrophobicContact CD-CZ2 3.87Å
276	I	87.9	Confident	74.9	Confident	7 Å²	7	44.6 Å²	44.6	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.9	162.6	-56.9	169.1	0	0	0	106.8	Q264 L265 L266 D278 V279 V281 W293 L298 P312	Q264-I276 HydrophobicContact CB-CG2 4.08Å; L265-I276 CarbonylContact O-C 3.17Å; L265-I276 VanDerWaalsContact O-CA 3.3Å; L265-I276 WeakPolarHBondContact O-CA 3.47Å; L266-I276 HydrophobicContact CD1-CG1 4.15Å; I276-D278 PolarHBondContact O-N 2.86Å; I276-V279 CarbonylContact C-O 3.19Å; I276-V279 WeakPolarHBondContact CA-O 3.42Å; I276-V279 HydrophobicContact CB-CB 4.43Å; I276-V279 WeakPolarHBondContact CB-O 3.43Å; I276-V279 PolarHBondContact N-O 2.95Å; I276-V279 CarbonylContact O-C 3.55Å; I276-V279 VanDerWaalsContact O-C 3.24Å; I276-V279 PolarHBondContact O-N 2.88Å; I276-V281 HydrophobicContact CD1-CG2 3.56Å; I276-V281 HydrophobicContact CG1-CG2 3.88Å; I276-W293 HydrophobicContact CD1-CH2 4.12Å; I276-W293 HydrophobicContact CG1-CH2 4.23Å; I276-W293 HydrophobicContact CG1-CZ3 4.21Å; I276-W293 HydrophobicContact CG2-CH2 3.62Å; I276-W293 HydrophobicContact CG2-CZ3 3.77Å; I276-L298 HydrophobicContact CD1-CD2 3.46Å; I276-L298 VanDerWaalsContact CD1-CD2 3.46Å; I276-L298 HydrophobicContact CG1-CD2 3.91Å; I276-P312 HydrophobicContact CD1-CB 3.99Å; I276-P312 HydrophobicContact CD1-CG 3.91Å
277	W	82	Confident	74.4	Confident	39 Å²	39	46.9 Å²	46.9	15%	0.148	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	82.3	179.8	-64.2	89	0	0	0	108.8	L239 D241 A248 L265 T267 K275	L239-W277 HydrophobicContact CB-CD2 4.06Å; L239-W277 HydrophobicContact CB-CE3 3.68Å; L239-W277 HydrophobicContact CB-CH2 4.32Å; L239-W277 HydrophobicContact CB-CZ3 3.81Å; L239-W277 HydrophobicContact CD1-CB 3.98Å; L239-W277 HydrophobicContact CD1-CD2 3.66Å; L239-W277 HydrophobicContact CD1-CE3 4.03Å; L239-W277 HydrophobicContact CD1-CG 3.58Å; L239-W277 HydrophobicContact CG-CD2 4.4Å; L239-W277 HydrophobicContact CG-CE3 4.3Å; D241-W277 HydrophobicContact CB-CH2 4.31Å; A248-W277 VanDerWaalsContact CA-CH2 3.48Å; A248-W277 HydrophobicContact CB-CH2 3.52Å; A248-W277 HydrophobicContact CB-CZ2 3.51Å; A248-W277 WeakPolarHBondContact O-CH2 3.44Å; L265-W277 HydrophobicContact CB-CB 4.28Å; L265-W277 PolarHBondContact O-N 3.44Å; T267-W277 VanDerWaalsContact CG2-NE1 3.28Å; T267-W277 PolarHBondContact OG1-NE1 2.92Å; K275-W277 HydrophobicContact CB-CZ2 4.13Å; K275-W277 HydrophobicContact CD-CH2 4.16Å; K275-W277 HydrophobicContact CD-CZ2 3.87Å
278	D	63.9	Low	74.1	Confident	131 Å²	131	46.9 Å²	46.9	70%	0.701	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	160.8	-17.9	171.1	-92.2	-19.3	0	0	0	109.6	Q264 I276	Q264-D278 HydrophobicContact CG-CB 4.24Å; I276-D278 PolarHBondContact O-N 2.86Å
279	V	45.9	Very low	74	Confident	66 Å²	66	46.9 Å²	46.9	40%	0.4	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-149	122.4	-177	-179.1	0	0	0	0	110.4	I276 V281	I276-V279 CarbonylContact C-O 3.19Å; I276-V279 WeakPolarHBondContact CA-O 3.42Å; I276-V279 HydrophobicContact CB-CB 4.43Å; I276-V279 WeakPolarHBondContact CB-O 3.43Å; I276-V279 PolarHBondContact N-O 2.95Å; I276-V279 CarbonylContact O-C 3.55Å; I276-V279 VanDerWaalsContact O-C 3.24Å; I276-V279 PolarHBondContact O-N 2.88Å; V279-V281 PolarHBondContact O-N 3.27Å
280	E	42.8	Very low	73.9	Confident	109 Å²	109	46.9 Å²	46.9	51%	0.509	24%	0.237	S	C	.	.			trans	-75.4	130	179.9	-70.3	-179.4	166.8	0	0	112.8	P315	E280-P315 VanDerWaalsContact O-CG 3.31Å; E280-P315 WeakPolarHBondContact O-CG 3.49Å
281	V	46.2	Very low	73.9	Confident	6 Å²	6	46.4 Å²	46.4	4%	0.036	23%	0.232	C	C	.	.			trans	-119.2	75.8	176.7	-176.6	0	0	0	0	110	C274 I276 V279 T283	C274-V281 CarbonylContact O-C 3.53Å; C274-V281 WeakPolarHBondContact O-CB 3.02Å; I276-V281 HydrophobicContact CD1-CG2 3.56Å; I276-V281 HydrophobicContact CG1-CG2 3.88Å; V279-V281 PolarHBondContact O-N 3.27Å; V281-T283 PolarHBondContact O-N 2.86Å
282	E	47.7	Very low	74	Confident	79 Å²	79	45.6 Å²	45.6	37%	0.369	23%	0.228	S	C	.	.			trans	-81.7	109	177.7	-69.6	-164.5	145.6	0	0	111.8	P315 Q316	E282-P315 CarbonylContact C-O 3.44Å; E282-P315 CarbonylContact O-C 3.48Å; E282-Q316 WeakPolarHBondContact O-CA 3.46Å; E282-Q316 PolarHBondContact O-OE1 3.14Å
283	T	50.3	Low	74.1	Confident	47 Å²	47	40 Å²	40	29%	0.288	21%	0.207	S	C	.	.				153.3	126	129.6	45.4	0	0	0	0	113.4	V281 P315 Q316	V281-T283 PolarHBondContact O-N 2.86Å; T283-P315 PolarHBondContact OG1-O 3.46Å; T283-Q316 WeakPolarHBondContact OG1-CA 3.11Å; T283-Q316 PolarHBondContact OG1-O 3.33Å
284	V	55.5	Low	74	Confident	16 Å²	16	40.1 Å²	40.1	10%	0.097	21%	0.206	C	C	.	.			trans	-139.6	146.1	153.9	-167.5	0	0	0	0	107.3	R272 D286 Q288 S302 L310	R272-V284 VanDerWaalsContact CB-O 3.31Å; R272-V284 WeakPolarHBondContact CB-O 3.25Å; R272-V284 PolarHBondContact O-N 3.19Å; R272-V284 VanDerWaalsContact O-N 3.1Å; R272-V284 VanDerWaalsContact O-O 3.05Å; V284-D286 PolarHBondContact O-N 2.93Å; V284-D286 VanDerWaalsContact O-N 3.1Å; V284-Q288 HydrophobicContact CB-CG 4.34Å; V284-Q288 VanDerWaalsContact CB-NE2 3.33Å; V284-Q288 HydrophobicContact CG2-CG 4.3Å; V284-S302 WeakPolarHBondContact CG1-OG 3.35Å; V284-L310 HydrophobicContact CG2-CD2 4.25Å
285	N	58.1	Low	73.9	Confident	146 Å²	146	42 Å²	42	78%	0.781	23%	0.225	S	C	*	.	S	Bend	trans	-69.7	-8	-173.3	-73.9	-20.8	0	0	0	114.7
286	D	71.1	Confident	73.7	Confident	62 Å²	62	48.8 Å²	48.8	33%	0.332	26%	0.262	S	S	.	.	S	Bend	trans	-131.1	162.9	-173.1	-74.5	-31.6	0	0	0	112.2	R272 V284 Q288 S304	R272-D286 WeakPolarHBondContact CA-O 3.19Å; R272-D286 WeakPolarHBondContact CB-O 3.27Å; V284-D286 PolarHBondContact O-N 2.93Å; V284-D286 VanDerWaalsContact O-N 3.1Å; D286-Q288 PolarHBondContact O-NE2 3.09Å; D286-S304 WeakPolarHBondContact OD2-CB 3.37Å; D286-S304 PolarHBondContact OD2-OG 3.4Å
287	Q	83.6	Confident	73.7	Confident	48 Å²	48	53.1 Å²	53.1	22%	0.224	28%	0.279	C	S	.	.			trans	-58	140	170.6	-58.1	-173.5	-31.5	0	0	110.6	A270 S302 L303	A270-Q287 WeakPolarHBondContact O-CG 3.44Å; Q287-S302 CarbonylContact O-C 3.54Å; Q287-S302 WeakPolarHBondContact O-CA 3.4Å; Q287-L303 HydrophobicContact CB-CB 4.2Å; Q287-L303 PolarHBondContact O-N 2.9Å
288	Q	88.4	Confident	74.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.6	-176.5	-58.4	-60.4	-63.2	0	0	110	Y254 A268 S269 V284 D286 S300 V301 S302 N308	Y254-Q288 VanDerWaalsContact CD2-O 3.27Å; Y254-Q288 WeakPolarHBondContact CD2-O 3.2Å; A268-Q288 HydrophobicContact CB-CB 3.78Å; S269-Q288 PolarHBondContact O-N 2.8Å; V284-Q288 HydrophobicContact CB-CG 4.34Å; V284-Q288 VanDerWaalsContact CB-NE2 3.33Å; V284-Q288 HydrophobicContact CG2-CG 4.3Å; D286-Q288 PolarHBondContact O-NE2 3.09Å; Q288-S300 VanDerWaalsContact OE1-CB 3.25Å; Q288-S300 PolarHBondContact OE1-OG 3.48Å; Q288-V301 CarbonylContact C-O 3.52Å; Q288-V301 WeakPolarHBondContact CA-O 3.3Å; Q288-S302 PolarHBondContact NE2-OG 3.1Å; Q288-N308 PolarHBondContact OE1-ND2 2.91Å
289	L	91.2	Very high	75.5	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-17.8	-170.3	-56.6	-175.7	0	0	0	114	T33 L39 Y254 V301 L303	T33-L289 HydrophobicContact CG2-CD1 3.95Å; L39-L289 HydrophobicContact CB-CB 4.31Å; L39-L289 PolarHBondContact N-O 2.9Å; Y254-L289 HydrophobicContact CD2-CD2 3.8Å; Y254-L289 HydrophobicContact CE2-CD2 3.74Å; Y254-L289 HydrophobicContact CG-CD2 4.33Å; L289-V301 PolarHBondContact N-O 3.49Å; L289-L303 HydrophobicContact CD1-CD1 3.85Å
290	A	92.7	Very high	77.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	157.3	178.5	0	0	0	0	0	110.9	L39 I41 S300 V301	L39-A290 HydrophobicContact CB-CB 4.01Å; L39-A290 HydrophobicContact CD2-CB 4.2Å; L39-A290 HydrophobicContact CG-CB 4.2Å; L39-A290 WeakPolarHBondContact O-CB 3.25Å; I41-A290 HydrophobicContact CD1-CB 4.25Å; I41-A290 HydrophobicContact CG1-CB 4.05Å; I41-A290 HydrophobicContact CG2-CB 4.17Å; A290-S300 CarbonylContact O-C 3.52Å; A290-S300 VanDerWaalsContact O-CA 3.3Å; A290-S300 WeakPolarHBondContact O-CA 3.27Å; A290-V301 HydrophobicContact CB-CB 4Å; A290-V301 HydrophobicContact CB-CG2 4.05Å; A290-V301 PolarHBondContact O-N 3.1Å
291	C	93.6	Very high	80	Confident	9 Å²	9	37.2 Å²	37.2	6%	0.061	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	152.9	168.5	60.3	0	0	0	0	111.6	L266 A268 L299	L266-C291 HydrophobicContact CD2-CB 3.75Å; L266-C291 HydrophobicContact CG-CB 4.01Å; A268-C291 HydrophobicContact CB-CB 3.93Å; C291-L299 CarbonylContact C-O 3.1Å; C291-L299 WeakPolarHBondContact CA-O 3.33Å; C291-L299 WeakPolarHBondContact CB-O 3.43Å
292	L	93.2	Very high	82.2	Confident	18 Å²	18	37 Å²	37	9%	0.094	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	130.3	174.9	176.3	65.4	0	0	0	109.1	I41 F50 Q294 L299	I41-L292 HydrophobicContact CD1-CB 3.52Å; I41-L292 HydrophobicContact CG1-CB 3.89Å; F50-L292 HydrophobicContact CB-CD2 3.69Å; L292-Q294 HydrophobicContact CD2-CB 4.41Å; L292-Q294 HydrophobicContact CG-CB 4.21Å; L292-L299 HydrophobicContact CB-CB 4.34Å; L292-L299 HydrophobicContact CD2-CD1 4.31Å; L292-L299 PolarHBondContact N-O 3.08Å; L292-L299 PolarHBondContact O-N 2.91Å
293	W	92.2	Very high	84.2	Confident	31 Å²	31	35 Å²	35	12%	0.117	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	114.1	170.9	-161.5	-21.5	0	0	0	108.8	S257 N259 Q264 L266 I276 G295 L298	S257-W293 PolarHBondContact OG-N 3.17Å; N259-W293 HydrophobicContact CB-CD2 3.52Å; N259-W293 VanDerWaalsContact CB-CE2 3.49Å; N259-W293 HydrophobicContact CB-CE3 3.73Å; N259-W293 HydrophobicContact CB-CG 4.09Å; N259-W293 HydrophobicContact CB-CH2 3.96Å; N259-W293 HydrophobicContact CB-CZ2 3.74Å; N259-W293 HydrophobicContact CB-CZ3 3.95Å; Q264-W293 HydrophobicContact CB-CH2 3.64Å; Q264-W293 HydrophobicContact CB-CZ3 3.73Å; Q264-W293 HydrophobicContact CG-CH2 4.48Å; L266-W293 HydrophobicContact CB-CE3 3.67Å; L266-W293 HydrophobicContact CB-CZ3 4.17Å; I276-W293 HydrophobicContact CD1-CH2 4.12Å; I276-W293 HydrophobicContact CG1-CH2 4.23Å; I276-W293 HydrophobicContact CG1-CZ3 4.21Å; I276-W293 HydrophobicContact CG2-CH2 3.62Å; I276-W293 HydrophobicContact CG2-CZ3 3.77Å; W293-G295 PolarHBondContact NE1-O 3.06Å; W293-L298 HydrophobicContact CD2-CD2 3.94Å; W293-L298 HydrophobicContact CD2-CG 3.93Å; W293-L298 HydrophobicContact CE3-CD2 4.18Å; W293-L298 HydrophobicContact CG-CG 4.02Å; W293-L298 HydrophobicContact CH2-CD2 4.14Å; W293-L298 HydrophobicContact CZ2-CD1 4.19Å; W293-L298 HydrophobicContact CZ2-CD2 3.91Å; W293-L298 HydrophobicContact CZ2-CG 4.25Å; W293-L298 HydrophobicContact CZ3-CD2 4.27Å
294	Q	88.8	Confident	85.9	Confident	20 Å²	20	35 Å²	35	9%	0.093	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	108.3	-173.6	-169.9	-178.6	20.2	0	0	110.1	D44 G47 N49 L292 D296 Y297	D44-Q294 VanDerWaalsContact N-NE2 3.13Å; D44-Q294 PolarHBondContact O-NE2 2.77Å; D44-Q294 PolarHBondContact OD1-NE2 2.8Å; G47-Q294 VanDerWaalsContact CA-NE2 3.26Å; N49-Q294 PolarHBondContact O-NE2 3.35Å; N49-Q294 PolarHBondContact O-OE1 2.63Å; L292-Q294 HydrophobicContact CD2-CB 4.41Å; L292-Q294 HydrophobicContact CG-CB 4.21Å; Q294-D296 PolarHBondContact O-N 2.85Å; Q294-Y297 PolarHBondContact N-O 2.82Å; Q294-Y297 WeakPolarHBondContact O-CB 2.89Å; Q294-Y297 PolarHBondContact O-N 3.26Å
295	G	86.5	Confident	87.5	Confident	40 Å²	40	34.3 Å²	34.3	41%	0.412	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	-125.5	-171.3	0	0	0	0	0	110.8	W293 Y297	W293-G295 PolarHBondContact NE1-O 3.06Å; G295-Y297 VanDerWaalsContact C-N 3.31Å
296	D	85.2	Confident	88.9	Confident	150 Å²	150	28 Å²	28	80%	0.802	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-1.7	178.4	-59	-34.2	0	0	0	113.4	Q294	Q294-D296 PolarHBondContact O-N 2.85Å
297	Y	88.9	Confident	89.8	Confident	98 Å²	98	25.2 Å²	25.2	38%	0.384	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	124.4	-177.1	-57.3	-73.3	0	0	0	111.2	Q294 G295 Y309	Q294-Y297 PolarHBondContact N-O 2.82Å; Q294-Y297 WeakPolarHBondContact O-CB 2.89Å; Q294-Y297 PolarHBondContact O-N 3.26Å; G295-Y297 VanDerWaalsContact C-N 3.31Å; Y297-Y309 HydrophobicContact CD1-CD1 4.11Å; Y297-Y309 HydrophobicContact CD1-CE1 4.17Å
298	L	90.9	Very high	90.1	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.037	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.5	170.2	-68.8	87.6	0	0	0	108.3	L266 I276 W293 Y309 L310 P312	L266-L298 HydrophobicContact CD1-CD2 4.37Å; L266-L298 HydrophobicContact CD2-CB 4.33Å; L266-L298 HydrophobicContact CD2-CD2 4.29Å; I276-L298 HydrophobicContact CD1-CD2 3.46Å; I276-L298 VanDerWaalsContact CD1-CD2 3.46Å; I276-L298 HydrophobicContact CG1-CD2 3.91Å; W293-L298 HydrophobicContact CD2-CD2 3.94Å; W293-L298 HydrophobicContact CD2-CG 3.93Å; W293-L298 HydrophobicContact CE3-CD2 4.18Å; W293-L298 HydrophobicContact CG-CG 4.02Å; W293-L298 HydrophobicContact CH2-CD2 4.14Å; W293-L298 HydrophobicContact CZ2-CD1 4.19Å; W293-L298 HydrophobicContact CZ2-CD2 3.91Å; W293-L298 HydrophobicContact CZ2-CG 4.25Å; W293-L298 HydrophobicContact CZ3-CD2 4.27Å; L298-Y309 CarbonylContact O-C 3.58Å; L298-Y309 WeakPolarHBondContact O-CA 3.38Å; L298-L310 HydrophobicContact CB-CB 3.98Å; L298-L310 PolarHBondContact O-N 2.88Å; L298-P312 HydrophobicContact CD1-CG 3.79Å; L298-P312 HydrophobicContact CD2-CG 4.15Å
299	L	92.2	Very high	90.2	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142.3	-178.7	-54.4	-179.2	0	0	0	110.2	F50 C291 L292 I307 N308 Y309	F50-L299 HydrophobicContact CB-CD1 4.39Å; F50-L299 HydrophobicContact CD1-CD1 3.65Å; F50-L299 HydrophobicContact CD2-CD1 4.22Å; F50-L299 HydrophobicContact CE1-CD1 3.94Å; F50-L299 HydrophobicContact CE2-CD1 4.46Å; F50-L299 HydrophobicContact CG-CD1 3.81Å; F50-L299 HydrophobicContact CZ-CD1 4.34Å; C291-L299 CarbonylContact C-O 3.1Å; C291-L299 WeakPolarHBondContact CA-O 3.33Å; C291-L299 WeakPolarHBondContact CB-O 3.43Å; L292-L299 HydrophobicContact CB-CB 4.34Å; L292-L299 HydrophobicContact CD2-CD1 4.31Å; L292-L299 PolarHBondContact N-O 3.08Å; L292-L299 PolarHBondContact O-N 2.91Å; L299-I307 HydrophobicContact CD2-CG2 4.46Å; L299-N308 CarbonylContact C-O 3.46Å; L299-N308 VanDerWaalsContact CA-O 3.3Å; L299-N308 WeakPolarHBondContact CA-O 3.41Å; L299-Y309 HydrophobicContact CD2-CD1 3.41Å; L299-Y309 VanDerWaalsContact CD2-CD1 3.41Å; L299-Y309 HydrophobicContact CD2-CD2 3.82Å; L299-Y309 HydrophobicContact CD2-CE1 3.42Å; L299-Y309 VanDerWaalsContact CD2-CE1 3.42Å; L299-Y309 HydrophobicContact CD2-CE2 3.81Å; L299-Y309 HydrophobicContact CD2-CG 3.63Å
300	S	92.3	Very high	90.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	153.7	163.7	77.7	0	0	0	0	111.1	C274 Q288 A290 I307 N308	C274-S300 VanDerWaalsContact SG-CB 3.5Å; Q288-S300 VanDerWaalsContact OE1-CB 3.25Å; Q288-S300 PolarHBondContact OE1-OG 3.48Å; A290-S300 CarbonylContact O-C 3.52Å; A290-S300 VanDerWaalsContact O-CA 3.3Å; A290-S300 WeakPolarHBondContact O-CA 3.27Å; S300-I307 CarbonylContact O-C 3.55Å; S300-I307 WeakPolarHBondContact O-CA 3.49Å; S300-N308 PolarHBondContact N-O 3.2Å; S300-N308 PolarHBondContact O-N 3.36Å; S300-N308 PolarHBondContact O-ND2 3.44Å; S300-N308 PolarHBondContact OG-ND2 2.84Å
301	V	91.9	Very high	89.8	Confident	2 Å²	2	27.5 Å²	27.5	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	120.2	176	-175.7	0	0	0	0	109.8	P31 T33 L39 I41 Q288 L289 A290 C306 I307	P31-V301 HydrophobicContact CB-CG1 4.2Å; P31-V301 HydrophobicContact CG-CG1 4.08Å; P31-V301 HydrophobicContact CG-CG2 4.38Å; T33-V301 HydrophobicContact CG2-CG1 4.11Å; L39-V301 HydrophobicContact CD2-CB 4.15Å; L39-V301 HydrophobicContact CD2-CG1 3.79Å; L39-V301 HydrophobicContact CD2-CG2 4.3Å; I41-V301 HydrophobicContact CD1-CG2 4.11Å; I41-V301 HydrophobicContact CG2-CG2 4.12Å; Q288-V301 CarbonylContact C-O 3.52Å; Q288-V301 WeakPolarHBondContact CA-O 3.3Å; L289-V301 PolarHBondContact N-O 3.49Å; A290-V301 HydrophobicContact CB-CB 4Å; A290-V301 HydrophobicContact CB-CG2 4.05Å; A290-V301 PolarHBondContact O-N 3.1Å; V301-C306 WeakPolarHBondContact CA-O 3.19Å; V301-I307 HydrophobicContact CG2-CG1 4.37Å
302	S	92.2	Very high	89.3	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.014	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	160.4	176.1	-66.4	0	0	0	0	111.9	V284 Q287 Q288 S304 G305 C306 N308	V284-S302 WeakPolarHBondContact CG1-OG 3.35Å; Q287-S302 CarbonylContact O-C 3.54Å; Q287-S302 WeakPolarHBondContact O-CA 3.4Å; Q288-S302 PolarHBondContact NE2-OG 3.1Å; S302-S304 WeakPolarHBondContact CB-OG 3.38Å; S302-S304 PolarHBondContact O-N 3.23Å; S302-S304 VanDerWaalsContact O-N 3.16Å; S302-G305 WeakPolarHBondContact O-CA 3.36Å; S302-G305 PolarHBondContact O-N 3.12Å; S302-C306 PolarHBondContact N-O 3.25Å; S302-N308 PolarHBondContact OG-ND2 2.6Å
303	L	89.9	Confident	89	Confident	36 Å²	36	33.7 Å²	33.7	19%	0.188	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.8	172.3	176.4	61.6	0	0	0	112.8	T33 R35 Q287 L289 G305	T33-L303 WeakPolarHBondContact CB-O 3.34Å; T33-L303 PolarHBondContact OG1-O 3.24Å; R35-L303 HydrophobicContact CB-CD1 3.93Å; R35-L303 HydrophobicContact CB-CD2 4.39Å; R35-L303 HydrophobicContact CG-CD2 4.37Å; Q287-L303 HydrophobicContact CB-CB 4.2Å; Q287-L303 PolarHBondContact O-N 2.9Å; L289-L303 HydrophobicContact CD1-CD1 3.85Å; L303-G305 PolarHBondContact O-N 3.25Å
304	S	86.5	Confident	88.6	Confident	48 Å²	48	35.7 Å²	35.7	34%	0.336	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.3	172.4	46	0	0	0	0	114.2	D286 S302 C306	D286-S304 WeakPolarHBondContact OD2-CB 3.37Å; D286-S304 PolarHBondContact OD2-OG 3.4Å; S302-S304 WeakPolarHBondContact CB-OG 3.38Å; S302-S304 PolarHBondContact O-N 3.23Å; S302-S304 VanDerWaalsContact O-N 3.16Å; S304-C306 VanDerWaalsContact C-N 3.29Å; S304-C306 PolarHBondContact OG-SG 3.08Å; S304-C306 VanDerWaalsContact OG-SG 3.41Å
305	G	87.6	Confident	88.2	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	87.5	-9.3	-171.2	0	0	0	0	0	113.3	P31 S302 L303 I307	P31-G305 WeakPolarHBondContact CD-O 3.23Å; S302-G305 WeakPolarHBondContact O-CA 3.36Å; S302-G305 PolarHBondContact O-N 3.12Å; L303-G305 PolarHBondContact O-N 3.25Å; G305-I307 PolarHBondContact O-N 2.99Å
306	C	88.7	Confident	87.9	Confident	14 Å²	14	40.2 Å²	40.2	10%	0.095	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-60	139	179.9	-61.6	0	0	0	0	111.3	V301 S302 S304 V321 V322	V301-C306 WeakPolarHBondContact CA-O 3.19Å; S302-C306 PolarHBondContact N-O 3.25Å; S304-C306 VanDerWaalsContact C-N 3.29Å; S304-C306 PolarHBondContact OG-SG 3.08Å; S304-C306 VanDerWaalsContact OG-SG 3.41Å; C306-V321 HydrophobicContact CB-CG1 3.91Å; C306-V322 WeakPolarHBondContact CA-O 3.18Å
307	I	89.8	Confident	87.8	Confident	3 Å²	3	40 Å²	40	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117.4	178	-56.6	159.6	0	0	0	108	L30 P31 F50 Y52 L299 S300 V301 G305 Y309 V321 V322	L30-I307 HydrophobicContact CD2-CD1 4.15Å; L30-I307 HydrophobicContact CD2-CG1 4.46Å; P31-I307 HydrophobicContact CG-CD1 4.23Å; P31-I307 HydrophobicContact CG-CG1 4.17Å; F50-I307 HydrophobicContact CE2-CD1 3.85Å; F50-I307 HydrophobicContact CZ-CD1 3.91Å; F50-I307 HydrophobicContact CZ-CG2 4.3Å; Y52-I307 HydrophobicContact CE1-CD1 4.1Å; L299-I307 HydrophobicContact CD2-CG2 4.46Å; S300-I307 CarbonylContact O-C 3.55Å; S300-I307 WeakPolarHBondContact O-CA 3.49Å; V301-I307 HydrophobicContact CG2-CG1 4.37Å; G305-I307 PolarHBondContact O-N 2.99Å; I307-Y309 HydrophobicContact CG2-CE2 4.2Å; I307-V321 WeakPolarHBondContact O-CA 3.36Å; I307-V322 HydrophobicContact CB-CB 4.18Å; I307-V322 PolarHBondContact N-O 3.33Å; I307-V322 VanDerWaalsContact N-O 3.13Å; I307-V322 PolarHBondContact O-N 3.11Å
308	N	89.1	Confident	87.5	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.5	-179.3	-42.1	-78.2	0	0	0	109.1	Q288 L299 S300 S302 L310 P318	Q288-N308 PolarHBondContact OE1-ND2 2.91Å; L299-N308 CarbonylContact C-O 3.46Å; L299-N308 VanDerWaalsContact CA-O 3.3Å; L299-N308 WeakPolarHBondContact CA-O 3.41Å; S300-N308 PolarHBondContact N-O 3.2Å; S300-N308 PolarHBondContact O-N 3.36Å; S300-N308 PolarHBondContact O-ND2 3.44Å; S300-N308 PolarHBondContact OG-ND2 2.84Å; S302-N308 PolarHBondContact OG-ND2 2.6Å; N308-L310 HydrophobicContact CB-CD2 4.09Å; N308-P318 HydrophobicContact CB-CB 4.28Å
309	Y	90	Very high	87.3	Confident	36 Å²	36	44.3 Å²	44.3	14%	0.141	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	105.2	167.4	-73.1	-112	0	0	0	106.8	Y297 L298 L299 I307 P318 R319 M320 V322	Y297-Y309 HydrophobicContact CD1-CD1 4.11Å; Y297-Y309 HydrophobicContact CD1-CE1 4.17Å; L298-Y309 CarbonylContact O-C 3.58Å; L298-Y309 WeakPolarHBondContact O-CA 3.38Å; L299-Y309 HydrophobicContact CD2-CD1 3.41Å; L299-Y309 VanDerWaalsContact CD2-CD1 3.41Å; L299-Y309 HydrophobicContact CD2-CD2 3.82Å; L299-Y309 HydrophobicContact CD2-CE1 3.42Å; L299-Y309 VanDerWaalsContact CD2-CE1 3.42Å; L299-Y309 HydrophobicContact CD2-CE2 3.81Å; L299-Y309 HydrophobicContact CD2-CG 3.63Å; I307-Y309 HydrophobicContact CG2-CE2 4.2Å; Y309-P318 CarbonylContact O-C 3.37Å; Y309-P318 WeakPolarHBondContact O-CA 3.26Å; Y309-P318 WeakPolarHBondContact O-CB 3.48Å; Y309-R319 WeakPolarHBondContact O-CB 3.41Å; Y309-R319 PolarHBondContact O-N 2.77Å; Y309-M320 VanDerWaalsContact CB-CG 3.43Å; Y309-M320 HydrophobicContact CD1-CG 4.22Å; Y309-M320 HydrophobicContact CD1-SD 4.19Å; Y309-M320 HydrophobicContact CD2-CE 4.04Å; Y309-M320 HydrophobicContact CD2-CG 3.42Å; Y309-M320 VanDerWaalsContact CD2-CG 3.42Å; Y309-M320 HydrophobicContact CD2-SD 3.79Å; Y309-M320 HydrophobicContact CE1-SD 4.38Å; Y309-M320 HydrophobicContact CE2-CE 3.93Å; Y309-M320 HydrophobicContact CE2-CG 4.23Å; Y309-M320 HydrophobicContact CE2-SD 4.02Å; Y309-M320 HydrophobicContact CG-CG 3.42Å; Y309-M320 VanDerWaalsContact CG-CG 3.42Å; Y309-M320 HydrophobicContact CG-SD 3.89Å; Y309-M320 PolarHBondContact N-O 3.31Å; Y309-V322 HydrophobicContact CD2-CG2 4.39Å; Y309-V322 HydrophobicContact CE2-CG2 3.82Å
310	L	89.5	Confident	87	Confident	13 Å²	13	47.8 Å²	47.8	7%	0.068	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	148.5	-176.6	-53.4	178.5	0	0	0	110.2	L266 C274 V284 L298 N308	L266-L310 HydrophobicContact CD1-CD1 4.12Å; C274-L310 HydrophobicContact CB-CD1 3.63Å; V284-L310 HydrophobicContact CG2-CD2 4.25Å; L298-L310 HydrophobicContact CB-CB 3.98Å; L298-L310 PolarHBondContact O-N 2.88Å; N308-L310 HydrophobicContact CB-CD2 4.09Å
311	D	86.6	Confident	86.7	Confident	44 Å²	44	50.4 Å²	50.4	24%	0.235	26%	0.264	C	S	.	.			trans	-118	104.7	175.4	-170.4	-14	0	0	0	109.2	S313 N314 R319	D311-S313 VanDerWaalsContact CG-OG 3.25Å; D311-S313 PolarHBondContact O-N 3.37Å; D311-S313 WeakPolarHBondContact OD1-CB 3.43Å; D311-S313 PolarHBondContact OD1-N 3.07Å; D311-S313 PolarHBondContact OD1-OG 3.29Å; D311-S313 PolarHBondContact OD2-OG 2.83Å; D311-N314 HydrophobicContact CB-CB 4.37Å; D311-N314 CarbonylContact O-C 3.53Å; D311-N314 PolarHBondContact O-N 3.39Å; D311-R319 HydrophobicContact CB-CB 4.21Å
312	P	83.4	Confident	86.4	Confident	52 Å²	52	52 Å²	52	34%	0.338	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.1	176.7	-22.8	33	0	0	0	113.3	I276 L298 N314	I276-P312 HydrophobicContact CD1-CB 3.99Å; I276-P312 HydrophobicContact CD1-CG 3.91Å; L298-P312 HydrophobicContact CD1-CG 3.79Å; L298-P312 HydrophobicContact CD2-CG 4.15Å; P312-N314 VanDerWaalsContact C-N 3.33Å
313	S	85.9	Confident	86	Confident	105 Å²	105	56.6 Å²	56.6	73%	0.734	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-18.8	177.5	75.6	0	0	0	0	113.1	D311	D311-S313 VanDerWaalsContact CG-OG 3.25Å; D311-S313 PolarHBondContact O-N 3.37Å; D311-S313 WeakPolarHBondContact OD1-CB 3.43Å; D311-S313 PolarHBondContact OD1-N 3.07Å; D311-S313 PolarHBondContact OD1-OG 3.29Å; D311-S313 PolarHBondContact OD2-OG 2.83Å
314	N	84.5	Confident	85.9	Confident	73 Å²	73	56 Å²	56	39%	0.39	30%	0.296	S	S	.	.			trans	-135.3	78.1	174.9	-169.7	-4.5	0	0	0	110.9	D311 P312 Q316 K317	D311-N314 HydrophobicContact CB-CB 4.37Å; D311-N314 CarbonylContact O-C 3.53Å; D311-N314 PolarHBondContact O-N 3.39Å; P312-N314 VanDerWaalsContact C-N 3.33Å; N314-Q316 PolarHBondContact O-N 2.83Å; N314-K317 PolarHBondContact O-N 2.8Å; N314-K317 VanDerWaalsContact O-N 3.12Å; N314-K317 VanDerWaalsContact O-O 3.06Å
315	P	81.4	Confident	86.1	Confident	40 Å²	40	54.3 Å²	54.3	26%	0.26	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-39.3	-179.2	-37.3	41.6	0	0	0	115.2	E280 E282 T283 K317	E280-P315 VanDerWaalsContact O-CG 3.31Å; E280-P315 WeakPolarHBondContact O-CG 3.49Å; E282-P315 CarbonylContact C-O 3.44Å; E282-P315 CarbonylContact O-C 3.48Å; T283-P315 PolarHBondContact OG1-O 3.46Å; P315-K317 VanDerWaalsContact C-N 3.3Å; P315-K317 PolarHBondContact O-N 3.15Å
316	Q	79	Confident	86.2	Confident	115 Å²	115	54.8 Å²	54.8	54%	0.537	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-6.9	-170.3	-64.5	-67	-25.8	0	0	114.5	E282 T283 N314	E282-Q316 WeakPolarHBondContact O-CA 3.46Å; E282-Q316 PolarHBondContact O-OE1 3.14Å; T283-Q316 WeakPolarHBondContact OG1-CA 3.11Å; T283-Q316 PolarHBondContact OG1-O 3.33Å; N314-Q316 PolarHBondContact O-N 2.83Å
317	K	83.6	Confident	86.4	Confident	144 Å²	144	56.1 Å²	56.1	63%	0.626	29%	0.29	S	S	*	.	S	Bend	trans	-150	121.6	-177.3	-171.4	178.5	177.7	-178.4	0	111.2	N314 P315	N314-K317 PolarHBondContact O-N 2.8Å; N314-K317 VanDerWaalsContact O-N 3.12Å; N314-K317 VanDerWaalsContact O-O 3.06Å; P315-K317 VanDerWaalsContact C-N 3.3Å; P315-K317 PolarHBondContact O-N 3.15Å
318	P	83.7	Confident	86.7	Confident	30 Å²	30	57.3 Å²	57.3	20%	0.195	30%	0.298	C	S	.	.			trans	-62	144.1	172.8	26.5	-33.6	0	0	0	110.6	N308 Y309 M320 V321	N308-P318 HydrophobicContact CB-CB 4.28Å; Y309-P318 CarbonylContact O-C 3.37Å; Y309-P318 WeakPolarHBondContact O-CA 3.26Å; Y309-P318 WeakPolarHBondContact O-CB 3.48Å; P318-M320 PolarHBondContact O-N 2.95Å; P318-V321 HydrophobicContact CB-CG2 4.11Å; P318-V321 HydrophobicContact CG-CG2 3.47Å; P318-V321 VanDerWaalsContact CG-CG2 3.47Å
319	R	86.7	Confident	87.1	Confident	166 Å²	166	57.1 Å²	57.1	63%	0.626	30%	0.297	S	S	*	.	S	Bend	trans	-54.6	-40.9	174.4	-176.5	177.6	179.1	179.4	3	111.6	Y309 D311	Y309-R319 WeakPolarHBondContact O-CB 3.41Å; Y309-R319 PolarHBondContact O-N 2.77Å; D311-R319 HydrophobicContact CB-CB 4.21Å
320	M	85.5	Confident	87.5	Confident	77 Å²	77	55.8 Å²	55.8	38%	0.379	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	156.1	173.3	59.2	176.6	-71.5	0	0	110.8	Y309 P318 V322	Y309-M320 VanDerWaalsContact CB-CG 3.43Å; Y309-M320 HydrophobicContact CD1-CG 4.22Å; Y309-M320 HydrophobicContact CD1-SD 4.19Å; Y309-M320 HydrophobicContact CD2-CE 4.04Å; Y309-M320 HydrophobicContact CD2-CG 3.42Å; Y309-M320 VanDerWaalsContact CD2-CG 3.42Å; Y309-M320 HydrophobicContact CD2-SD 3.79Å; Y309-M320 HydrophobicContact CE1-SD 4.38Å; Y309-M320 HydrophobicContact CE2-CE 3.93Å; Y309-M320 HydrophobicContact CE2-CG 4.23Å; Y309-M320 HydrophobicContact CE2-SD 4.02Å; Y309-M320 HydrophobicContact CG-CG 3.42Å; Y309-M320 VanDerWaalsContact CG-CG 3.42Å; Y309-M320 HydrophobicContact CG-SD 3.89Å; Y309-M320 PolarHBondContact N-O 3.31Å; P318-M320 PolarHBondContact O-N 2.95Å; M320-V322 HydrophobicContact CE-CG2 3.62Å
321	V	85	Confident	87.9	Confident	55 Å²	55	55.3 Å²	55.3	33%	0.333	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	118.7	173.5	-177.1	0	0	0	0	108.1	C306 I307 P318 K323	C306-V321 HydrophobicContact CB-CG1 3.91Å; I307-V321 WeakPolarHBondContact O-CA 3.36Å; P318-V321 HydrophobicContact CB-CG2 4.11Å; P318-V321 HydrophobicContact CG-CG2 3.47Å; P318-V321 VanDerWaalsContact CG-CG2 3.47Å; V321-K323 HydrophobicContact CG1-CG 4.03Å
322	V	85.7	Confident	88.4	Confident	34 Å²	34	53.5 Å²	53.5	21%	0.206	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	118.8	171.9	-173	0	0	0	0	107.8	L30 C306 I307 Y309 M320	L30-V322 HydrophobicContact CD2-CG1 4.16Å; C306-V322 WeakPolarHBondContact CA-O 3.18Å; I307-V322 HydrophobicContact CB-CB 4.18Å; I307-V322 PolarHBondContact N-O 3.33Å; I307-V322 VanDerWaalsContact N-O 3.13Å; I307-V322 PolarHBondContact O-N 3.11Å; Y309-V322 HydrophobicContact CD2-CG2 4.39Å; Y309-V322 HydrophobicContact CE2-CG2 3.82Å; M320-V322 HydrophobicContact CE-CG2 3.62Å
323	K	84.8	Confident	89.1	Confident	100 Å²	100	51 Å²	51	44%	0.435	27%	0.265	S	S	.	.			trans	-112.7	160.1	176.6	-59.8	-173.5	179.8	-174.9	0	109.4	V321	V321-K323 HydrophobicContact CG1-CG 4.03Å
324	G	86.8	Confident	89.6	Confident	23 Å²	23	46.1 Å²	46.1	24%	0.237	23%	0.23	C	C	.	.			trans	159.6	-177.5	-174.1	0	0	0	0	0	110.1	L30 F358	L30-G324 WeakPolarHBondContact CD1-O 3.32Å; G324-F358 VanDerWaalsContact C-CZ 3.45Å; G324-F358 VanDerWaalsContact O-CE2 3.3Å; G324-F358 WeakPolarHBondContact O-CE2 3.44Å; G324-F358 WeakPolarHBondContact O-CZ 3.42Å
325	H	91.1	Very high	90	Very high	12 Å²	12	42.9 Å²	42.9	6%	0.056	21%	0.213	C	C	.	.			trans	-84.5	131.4	-179	-62.6	-79	0	0	0	110.9	A29 L30 V329 T343 D345 F358 A594	A29-H325 CarbonylContact C-O 3.59Å; A29-H325 WeakPolarHBondContact CA-O 3.32Å; L30-H325 PolarHBondContact N-O 2.9Å; H325-V329 HydrophobicContact CB-CG2 3.62Å; H325-T343 VanDerWaalsContact NE2-CB 3.32Å; H325-T343 WeakPolarHBondContact NE2-CB 3.29Å; H325-T343 PolarHBondContact NE2-OG1 3.32Å; H325-D345 IonicContact CE1-OD2 2.66Å; H325-D345 IonicContact CG-OD2 3.79Å; H325-D345 WeakPolarHBondContact ND1-CB 3.39Å; H325-D345 IonicContact ND1-OD2 3.13Å; H325-D345 PolarHBondContact ND1-OD2 3.06Å; H325-F358 AromaticContact CE1-CE1 3.44Å; H325-F358 VanDerWaalsContact CE1-CE1 3.44Å; H325-F358 WeakPolarHBondContact CE1-CE1 3.35Å; H325-F358 AromaticContact ND1-CE1 3.57Å; H325-F358 AromaticContact ND1-CZ 3.77Å; H325-F358 AromaticContact NE2-CE1 3.9Å; H325-A594 HydrophobicContact CB-CB 4.5Å
326	S	90.5	Very high	90.6	Very high	10 Å²	10	46.1 Å²	46.1	7%	0.07	22%	0.22	C	C	.	.	S	Bend	trans	-103.1	-6.4	165.2	59.6	0	0	0	0	112.1	P31 N54	P31-S326 WeakPolarHBondContact O-CB 3.34Å; N54-S326 PolarHBondContact ND2-O 3.22Å
327	K	92.5	Very high	91	Very high	43 Å²	43	46 Å²	46	19%	0.187	22%	0.22	C	C	.	.	S	Bend	trans	-117.2	155.8	-175.4	-54.8	-61.6	174.7	178.9	0	109.6	L32 V329 E347 A594	L32-K327 HydrophobicContact CD1-CD 4.37Å; K327-V329 PolarHBondContact O-N 3.09Å; K327-E347 WeakPolarHBondContact CE-OE1 3.15Å; K327-E347 HydrophobicContact CG-CG 4.07Å; K327-E347 IonicContact NZ-OE1 3.41Å; K327-A594 VanDerWaalsContact C-CB 3.45Å; K327-A594 WeakPolarHBondContact O-CB 3.36Å
328	P	95.6	Very high	91.3	Very high	27 Å²	27	44 Å²	44	18%	0.175	22%	0.216	C	C	.	.			trans	-43	126.2	176.5	-33.9	38	0	0	0	112.9	D345 M346 Q592	P328-D345 WeakPolarHBondContact O-CA 3.38Å; P328-D345 WeakPolarHBondContact O-CB 3.38Å; P328-M346 HydrophobicContact CB-CB 4.25Å; P328-M346 HydrophobicContact CG-SD 4.21Å; P328-M346 PolarHBondContact O-N 3.22Å; P328-Q592 VanDerWaalsContact CG-OE1 3.3Å
329	V	97.3	Very high	91.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.8	173.5	-176.1	0	0	0	0	106.9	H325 K327 T343 G344 T577 V590 G591	H325-V329 HydrophobicContact CB-CG2 3.62Å; K327-V329 PolarHBondContact O-N 3.09Å; V329-T343 HydrophobicContact CG1-CG2 4.32Å; V329-G344 WeakPolarHBondContact CG1-O 3.28Å; V329-T577 WeakPolarHBondContact O-CB 3.48Å; V329-T577 PolarHBondContact O-OG1 3.14Å; V329-V590 HydrophobicContact CB-CB 3.93Å; V329-V590 HydrophobicContact CB-CG1 4.32Å; V329-V590 HydrophobicContact CG1-CB 3.56Å; V329-V590 HydrophobicContact CG1-CG1 3.62Å; V329-V590 HydrophobicContact CG1-CG2 3.98Å; V329-G591 PolarHBondContact N-O 3.31Å; V329-G591 VanDerWaalsContact N-O 3.08Å; V329-G591 CarbonylContact O-C 3.55Å; V329-G591 VanDerWaalsContact O-O 3.12Å
330	T	98.1	Very high	92	Very high	9 Å²	9	39.7 Å²	39.7	6%	0.055	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-18.9	-166.7	48.9	0	0	0	0	112.6	G344 M346 Q367 V368	T330-G344 PolarHBondContact N-O 3.02Å; T330-G344 PolarHBondContact OG1-O 3.01Å; T330-M346 HydrophobicContact CG2-CB 4.41Å; T330-Q367 HydrophobicContact CG2-CG 3.83Å; T330-V368 WeakPolarHBondContact CB-O 3.44Å; T330-V368 PolarHBondContact OG1-O 2.83Å
331	S	97.9	Very high	92.5	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	150.2	178.5	52	0	0	0	0	111.8	T343 G344 V368 M371	S331-T343 WeakPolarHBondContact O-CA 3.18Å; S331-G344 PolarHBondContact N-O 3.12Å; S331-G344 PolarHBondContact O-N 3.08Å; S331-V368 WeakPolarHBondContact OG-CG1 3.31Å; S331-M371 WeakPolarHBondContact O-CE 3.38Å; S331-M371 WeakPolarHBondContact OG-CE 3.2Å; S331-M371 WeakPolarHBondContact OG-CG 3.37Å
332	V	98.1	Very high	93	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.036	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.8	169.2	66	0	0	0	0	109.3	F341 F342 T343 S578 D580 V588 V590	V332-F341 HydrophobicContact CG2-CB 4.25Å; V332-F341 HydrophobicContact CG2-CD2 4.26Å; V332-F342 CarbonylContact C-O 3.59Å; V332-F342 VanDerWaalsContact CA-O 3.28Å; V332-F342 WeakPolarHBondContact CA-O 3.04Å; V332-F342 WeakPolarHBondContact CG2-O 3.33Å; V332-T343 HydrophobicContact CG2-CG2 4.15Å; V332-S578 PolarHBondContact N-OG 3.45Å; V332-D580 HydrophobicContact CG1-CB 4.16Å; V332-V588 HydrophobicContact CG2-CB 4.37Å; V332-V588 HydrophobicContact CG2-CG1 3.87Å; V332-V590 HydrophobicContact CB-CG1 4Å; V332-V590 HydrophobicContact CB-CG2 3.97Å; V332-V590 HydrophobicContact CG1-CG2 4.06Å; V332-V590 HydrophobicContact CG2-CG1 4.44Å
333	A	97.4	Very high	93.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	121	171.6	0	0	0	0	0	109.9	F341 F342 M371 K373 L378	A333-F341 CarbonylContact O-C 3.49Å; A333-F341 WeakPolarHBondContact O-CA 3.36Å; A333-F342 PolarHBondContact N-O 2.98Å; A333-F342 PolarHBondContact O-N 2.92Å; A333-M371 HydrophobicContact CB-CB 3.84Å; A333-M371 HydrophobicContact CB-CE 4.33Å; A333-K373 HydrophobicContact CB-CB 3.81Å; A333-L378 HydrophobicContact CB-CD1 4.31Å
334	A	96.3	Very high	94.1	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.8	179.9	0	0	0	0	0	111.6	R336 K373 D580 W581 L582	A334-R336 HydrophobicContact CB-CG 4.23Å; A334-K373 WeakPolarHBondContact O-CB 3.32Å; A334-K373 WeakPolarHBondContact O-CG 3.36Å; A334-D580 HydrophobicContact CB-CB 4.03Å; A334-D580 VanDerWaalsContact CB-OD2 3.26Å; A334-D580 WeakPolarHBondContact CB-OD2 3.2Å; A334-D580 PolarHBondContact N-OD2 3Å; A334-W581 WeakPolarHBondContact CB-O 3.26Å; A334-L582 HydrophobicContact CB-CD2 4Å
335	D	94	Very high	94.5	Very high	6 Å²	6	27 Å²	27	3%	0.032	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	84.8	165.7	-172.7	5.8	0	0	0	109.5	E337 N338 D339 T340 F342 K373	D335-E337 VanDerWaalsContact C-N 3.25Å; D335-E337 PolarHBondContact O-N 3.09Å; D335-N338 PolarHBondContact O-N 2.73Å; D335-N338 PolarHBondContact OD2-ND2 2.83Å; D335-D339 PolarHBondContact O-N 2.88Å; D335-D339 VanDerWaalsContact O-N 3.12Å; D335-T340 CarbonylContact C-O 3.47Å; D335-T340 WeakPolarHBondContact CA-O 3.24Å; D335-T340 PolarHBondContact N-O 3.44Å; D335-T340 PolarHBondContact O-N 2.86Å; D335-T340 VanDerWaalsContact O-N 3.12Å; D335-F342 HydrophobicContact CB-CE2 4.06Å; D335-K373 HydrophobicContact CB-CG 4.08Å
336	R	92.5	Very high	94.8	Very high	108 Å²	108	30.9 Å²	30.9	41%	0.408	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.3	-172.6	-58	-175.5	178.8	80.5	6.5	113.6	A334 N338 D580 W581 L582	A334-R336 HydrophobicContact CB-CG 4.23Å; R336-N338 VanDerWaalsContact C-N 3.31Å; R336-D580 IonicContact CZ-OD1 3.63Å; R336-D580 IonicContact NH2-OD1 3.42Å; R336-D580 PolarHBondContact NH2-OD1 2.59Å; R336-D580 IonicContact NH2-OD2 2.66Å; R336-W581 PolarHBondContact NE-O 2.82Å; R336-W581 PolarHBondContact NH2-O 2.82Å; R336-L582 WeakPolarHBondContact CG-O 3.3Å
337	E	88.7	Confident	94.9	Very high	112 Å²	112	35 Å²	35	52%	0.523	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-33.9	178.2	-68.9	-157	153.1	0	0	111.8	D335 K375	D335-E337 VanDerWaalsContact C-N 3.25Å; D335-E337 PolarHBondContact O-N 3.09Å; E337-K375 WeakPolarHBondContact OE1-CD 3.37Å; E337-K375 VanDerWaalsContact OE1-CE 3.25Å; E337-K375 WeakPolarHBondContact OE1-CE 3.3Å; E337-K375 WeakPolarHBondContact OE1-CG 3.39Å; E337-K375 IonicContact OE1-NZ 2.64Å; E337-K375 PolarHBondContact OE1-NZ 2.93Å; E337-K375 WeakPolarHBondContact OE2-CG 3.1Å; E337-K375 IonicContact OE2-NZ 3.26Å
338	N	89.7	Confident	95	Very high	103 Å²	103	33 Å²	33	55%	0.551	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	4.5	-174.3	-64.6	-53.1	0	0	0	113.2	D335 R336 T340	D335-N338 PolarHBondContact O-N 2.73Å; D335-N338 PolarHBondContact OD2-ND2 2.83Å; R336-N338 VanDerWaalsContact C-N 3.31Å; N338-T340 HydrophobicContact CB-CG2 4.41Å; N338-T340 WeakPolarHBondContact CB-OG1 3.32Å; N338-T340 VanDerWaalsContact O-CG2 3.27Å; N338-T340 WeakPolarHBondContact O-CG2 3.46Å; N338-T340 PolarHBondContact O-N 3.06Å
339	D	91.4	Very high	94.9	Very high	86 Å²	86	32.4 Å²	32.4	46%	0.46	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	41.5	-172.3	-170	33.2	0	0	0	112.2	D335	D335-D339 PolarHBondContact O-N 2.88Å; D335-D339 VanDerWaalsContact O-N 3.12Å
340	T	92.8	Very high	94.8	Very high	18 Å²	18	32.6 Å²	32.6	11%	0.11	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	-179.3	-176.6	58.3	0	0	0	0	110.1	D335 N338 S353 L582	D335-T340 CarbonylContact C-O 3.47Å; D335-T340 WeakPolarHBondContact CA-O 3.24Å; D335-T340 PolarHBondContact N-O 3.44Å; D335-T340 PolarHBondContact O-N 2.86Å; D335-T340 VanDerWaalsContact O-N 3.12Å; N338-T340 HydrophobicContact CB-CG2 4.41Å; N338-T340 WeakPolarHBondContact CB-OG1 3.32Å; N338-T340 VanDerWaalsContact O-CG2 3.27Å; N338-T340 WeakPolarHBondContact O-CG2 3.46Å; N338-T340 PolarHBondContact O-N 3.06Å; T340-S353 WeakPolarHBondContact CB-OG 3.46Å; T340-L582 WeakPolarHBondContact O-CD2 3.44Å
341	F	95.3	Very high	94.5	Very high	7 Å²	7	32.5 Å²	32.5	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	160.2	-177	55.1	-94.9	0	0	0	111.2	F27 V332 A333 T343 S353 L582 V588 V596	F27-F341 HydrophobicContact CD2-CZ 4.11Å; F27-F341 HydrophobicContact CE2-CE1 4.15Å; F27-F341 AromaticContact CE2-CZ 3.6Å; F27-F341 HydrophobicContact CE2-CZ 3.6Å; F27-F341 HydrophobicContact CZ-CE1 4.33Å; F27-F341 AromaticContact CZ-CZ 3.87Å; F27-F341 HydrophobicContact CZ-CZ 3.87Å; V332-F341 HydrophobicContact CG2-CB 4.25Å; V332-F341 HydrophobicContact CG2-CD2 4.26Å; A333-F341 CarbonylContact O-C 3.49Å; A333-F341 WeakPolarHBondContact O-CA 3.36Å; F341-T343 HydrophobicContact CD2-CG2 3.88Å; F341-T343 HydrophobicContact CE2-CG2 4Å; F341-S353 WeakPolarHBondContact CD1-OG 3.42Å; F341-S353 VanDerWaalsContact CZ-CB 3.49Å; F341-S353 PolarHBondContact N-OG 2.82Å; F341-S353 WeakPolarHBondContact O-CB 3.34Å; F341-S353 PolarHBondContact O-N 2.73Å; F341-S353 PolarHBondContact O-OG 2.91Å; F341-L582 HydrophobicContact CB-CD2 4.29Å; F341-L582 HydrophobicContact CD1-CD1 4.26Å; F341-L582 HydrophobicContact CD1-CD2 4.22Å; F341-V588 HydrophobicContact CD1-CG1 4.29Å; F341-V588 HydrophobicContact CD1-CG2 3.74Å; F341-V588 HydrophobicContact CD2-CG1 4.22Å; F341-V588 HydrophobicContact CE1-CG1 4.31Å; F341-V588 HydrophobicContact CE1-CG2 4.02Å; F341-V588 HydrophobicContact CE2-CG1 4.27Å; F341-V588 HydrophobicContact CG-CG1 4.23Å; F341-V588 HydrophobicContact CG-CG2 4.27Å; F341-V588 HydrophobicContact CZ-CG1 4.3Å; F341-V596 HydrophobicContact CD2-CG1 4.42Å; F341-V596 HydrophobicContact CE2-CG1 3.59Å; F341-V596 HydrophobicContact CZ-CG1 3.89Å
342	F	95.5	Very high	94.1	Very high	1 Å²	1	33 Å²	33	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	146.4	173.9	-63.9	-90	0	0	0	110.2	V332 A333 D335 V350 G351 N352 L359 M371 K373 L378 M393	V332-F342 CarbonylContact C-O 3.59Å; V332-F342 VanDerWaalsContact CA-O 3.28Å; V332-F342 WeakPolarHBondContact CA-O 3.04Å; V332-F342 WeakPolarHBondContact CG2-O 3.33Å; A333-F342 PolarHBondContact N-O 2.98Å; A333-F342 PolarHBondContact O-N 2.92Å; D335-F342 HydrophobicContact CB-CE2 4.06Å; F342-V350 HydrophobicContact CD1-CG1 4.47Å; F342-G351 CarbonylContact C-O 3.58Å; F342-G351 WeakPolarHBondContact CA-O 3.33Å; F342-N352 HydrophobicContact CD1-CB 3.91Å; F342-N352 HydrophobicContact CE1-CB 3.62Å; F342-N352 VanDerWaalsContact CE1-CG 3.43Å; F342-N352 WeakPolarHBondContact CE1-ND2 3.25Å; F342-N352 HydrophobicContact CZ-CB 4.49Å; F342-L359 HydrophobicContact CD1-CD1 4.13Å; F342-L359 HydrophobicContact CE1-CD1 4.14Å; F342-L359 HydrophobicContact CE1-CD2 4.48Å; F342-M371 HydrophobicContact CB-CE 4.32Å; F342-M371 VanDerWaalsContact O-CE 3.28Å; F342-M371 WeakPolarHBondContact O-CE 3.27Å; F342-K373 HydrophobicContact CD2-CD 4.45Å; F342-K373 HydrophobicContact CD2-CG 4.47Å; F342-K373 HydrophobicContact CE2-CD 4.18Å; F342-L378 HydrophobicContact CB-CD1 4.41Å; F342-L378 HydrophobicContact CB-CD2 4.34Å; F342-L378 HydrophobicContact CD1-CD2 3.83Å; F342-L378 HydrophobicContact CD2-CD1 4.49Å; F342-L378 HydrophobicContact CD2-CD2 4.39Å; F342-L378 HydrophobicContact CE1-CD2 4.27Å; F342-L378 HydrophobicContact CG-CD1 4.42Å; F342-L378 HydrophobicContact CG-CD2 3.91Å; F342-M393 HydrophobicContact CD2-CE 4.34Å; F342-M393 HydrophobicContact CE1-CE 4.07Å; F342-M393 HydrophobicContact CE1-SD 4.22Å; F342-M393 HydrophobicContact CE2-CE 3.56Å; F342-M393 HydrophobicContact CE2-SD 3.75Å; F342-M393 HydrophobicContact CZ-CE 3.42Å; F342-M393 VanDerWaalsContact CZ-CE 3.42Å; F342-M393 HydrophobicContact CZ-SD 3.29Å; F342-M393 WeakPolarHBondContact CZ-SD 3.15Å
343	T	97.2	Very high	93.8	Very high	8 Å²	8	33.8 Å²	33.8	5%	0.049	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.3	179.4	48.7	0	0	0	0	111.2	H325 V329 S331 V332 F341 V350 G351 V590 V596	H325-T343 VanDerWaalsContact NE2-CB 3.32Å; H325-T343 WeakPolarHBondContact NE2-CB 3.29Å; H325-T343 PolarHBondContact NE2-OG1 3.32Å; V329-T343 HydrophobicContact CG1-CG2 4.32Å; S331-T343 WeakPolarHBondContact O-CA 3.18Å; V332-T343 HydrophobicContact CG2-CG2 4.15Å; F341-T343 HydrophobicContact CD2-CG2 3.88Å; F341-T343 HydrophobicContact CE2-CG2 4Å; T343-V350 CarbonylContact O-C 3.53Å; T343-V350 VanDerWaalsContact O-CA 3.25Å; T343-V350 WeakPolarHBondContact O-CA 3.32Å; T343-G351 PolarHBondContact N-O 2.98Å; T343-G351 PolarHBondContact O-N 3.32Å; T343-V590 HydrophobicContact CG2-CG1 4.08Å; T343-V596 HydrophobicContact CG2-CG1 4.18Å; T343-V596 HydrophobicContact CG2-CG2 3.83Å
344	G	96.7	Very high	93.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.9	178.1	0	0	0	0	0	110.5	V329 T330 S331 A349 M371	V329-G344 WeakPolarHBondContact CG1-O 3.28Å; T330-G344 PolarHBondContact N-O 3.02Å; T330-G344 PolarHBondContact OG1-O 3.01Å; S331-G344 PolarHBondContact N-O 3.12Å; S331-G344 PolarHBondContact O-N 3.08Å; G344-A349 WeakPolarHBondContact CA-O 3.37Å; G344-M371 VanDerWaalsContact N-CE 3.31Å
345	D	96.5	Very high	92.6	Very high	7 Å²	7	40 Å²	40	4%	0.037	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	175.8	179.6	69.4	26.4	0	0	0	115.3	H325 P328 E347 G348 A349 V368	H325-D345 IonicContact CE1-OD2 2.66Å; H325-D345 IonicContact CG-OD2 3.79Å; H325-D345 WeakPolarHBondContact ND1-CB 3.39Å; H325-D345 IonicContact ND1-OD2 3.13Å; H325-D345 PolarHBondContact ND1-OD2 3.06Å; P328-D345 WeakPolarHBondContact O-CA 3.38Å; P328-D345 WeakPolarHBondContact O-CB 3.38Å; D345-E347 PolarHBondContact O-N 3.21Å; D345-E347 PolarHBondContact OD1-N 2.85Å; D345-G348 PolarHBondContact O-N 3.06Å; D345-G348 VanDerWaalsContact O-N 3.1Å; D345-G348 PolarHBondContact OD1-N 3.12Å; D345-A349 PolarHBondContact N-O 3.1Å; D345-A349 PolarHBondContact OD1-N 3.09Å; D345-A349 WeakPolarHBondContact OD2-CB 3.4Å; D345-V368 PolarHBondContact O-N 3.43Å
346	M	96	Very high	92	Very high	93 Å²	93	43.7 Å²	43.7	46%	0.458	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.6	179.9	-169.5	177.7	-174.7	0	0	114.3	P328 T330 Q367	P328-M346 HydrophobicContact CB-CB 4.25Å; P328-M346 HydrophobicContact CG-SD 4.21Å; P328-M346 PolarHBondContact O-N 3.22Å; T330-M346 HydrophobicContact CG2-CB 4.41Å; M346-Q367 HydrophobicContact CG-CB 4.28Å; M346-Q367 WeakPolarHBondContact O-CA 3.29Å; M346-Q367 WeakPolarHBondContact O-CB 3.41Å; M346-Q367 PolarHBondContact O-N 2.89Å
347	E	93.9	Very high	91.6	Very high	96 Å²	96	43.4 Å²	43.4	45%	0.449	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-4.8	177.4	-71.2	-171.2	179	0	0	112.5	K327 D345 K362 S366	K327-E347 WeakPolarHBondContact CE-OE1 3.15Å; K327-E347 HydrophobicContact CG-CG 4.07Å; K327-E347 IonicContact NZ-OE1 3.41Å; D345-E347 PolarHBondContact O-N 3.21Å; D345-E347 PolarHBondContact OD1-N 2.85Å; E347-K362 WeakPolarHBondContact O-CE 3.28Å; E347-K362 PolarHBondContact O-NZ 2.91Å; E347-S366 CarbonylContact C-O 3.49Å
348	G	95.1	Very high	91.5	Very high	1 Å²	1	41 Å²	41	1%	0.01	22%	0.22	C	C	.	.	S	Bend	trans	94.9	10.5	179.5	0	0	0	0	0	114.2	D345 K362 S366	D345-G348 PolarHBondContact O-N 3.06Å; D345-G348 VanDerWaalsContact O-N 3.1Å; D345-G348 PolarHBondContact OD1-N 3.12Å; G348-K362 VanDerWaalsContact C-CE 3.48Å; G348-S366 WeakPolarHBondContact CA-O 3.5Å; G348-S366 PolarHBondContact N-O 3.22Å; G348-S366 VanDerWaalsContact N-O 3.1Å
349	A	93.2	Very high	91.4	Very high	15 Å²	15	37.3 Å²	37.3	12%	0.124	20%	0.2	C	C	.	.			trans	-79.5	138.1	173.7	0	0	0	0	0	110	G344 D345 F358	G344-A349 WeakPolarHBondContact CA-O 3.37Å; D345-A349 PolarHBondContact N-O 3.1Å; D345-A349 PolarHBondContact OD1-N 3.09Å; D345-A349 WeakPolarHBondContact OD2-CB 3.4Å; A349-F358 HydrophobicContact CB-CD1 3.83Å; A349-F358 HydrophobicContact CB-CE1 3.84Å; A349-F358 HydrophobicContact CB-CG 4.25Å; A349-F358 HydrophobicContact CB-CZ 4.21Å
350	V	94	Very high	91.1	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	112.7	177.1	-177.6	0	0	0	0	108.7	F342 T343 F358 L359 V368 M371 L378 T380	F342-V350 HydrophobicContact CD1-CG1 4.47Å; T343-V350 CarbonylContact O-C 3.53Å; T343-V350 VanDerWaalsContact O-CA 3.25Å; T343-V350 WeakPolarHBondContact O-CA 3.32Å; V350-F358 CarbonylContact O-C 3.57Å; V350-F358 VanDerWaalsContact O-CA 3.32Å; V350-F358 WeakPolarHBondContact O-CA 3.37Å; V350-L359 HydrophobicContact CB-CD1 4.2Å; V350-L359 HydrophobicContact CB-CG 4.46Å; V350-L359 HydrophobicContact CG1-CD1 3.69Å; V350-L359 HydrophobicContact CG1-CG 4.28Å; V350-L359 PolarHBondContact O-N 2.74Å; V350-V368 HydrophobicContact CG2-CG2 4.2Å; V350-M371 HydrophobicContact CG1-SD 4.22Å; V350-L378 HydrophobicContact CG1-CD2 4.29Å; V350-T380 HydrophobicContact CG2-CG2 4.27Å
351	G	92	Very high	90.8	Very high	6 Å²	6	40.1 Å²	40.1	6%	0.062	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	150.2	176.7	0	0	0	0	0	112	F342 T343	F342-G351 CarbonylContact C-O 3.58Å; F342-G351 WeakPolarHBondContact CA-O 3.33Å; T343-G351 PolarHBondContact N-O 2.98Å; T343-G351 PolarHBondContact O-N 3.32Å
352	N	90.6	Very high	90.5	Very high	12 Å²	12	44.9 Å²	44.9	6%	0.064	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121	172	179.9	-10	0	0	0	109.3	F342 S354 T355 L356 K357 L359	F342-N352 HydrophobicContact CD1-CB 3.91Å; F342-N352 HydrophobicContact CE1-CB 3.62Å; F342-N352 VanDerWaalsContact CE1-CG 3.43Å; F342-N352 WeakPolarHBondContact CE1-ND2 3.25Å; F342-N352 HydrophobicContact CZ-CB 4.49Å; N352-S354 VanDerWaalsContact C-N 3.28Å; N352-S354 PolarHBondContact ND2-OG 3.31Å; N352-S354 PolarHBondContact O-N 2.94Å; N352-S354 WeakPolarHBondContact OD1-CB 3.39Å; N352-S354 PolarHBondContact OD1-N 2.71Å; N352-S354 PolarHBondContact OD1-OG 2.91Å; N352-T355 PolarHBondContact O-N 2.81Å; N352-L356 WeakPolarHBondContact O-CA 3.44Å; N352-L356 PolarHBondContact O-N 2.85Å; N352-K357 PolarHBondContact N-O 2.8Å; N352-L359 HydrophobicContact CB-CD2 4.09Å
353	S	90.5	Very high	90.2	Very high	23 Å²	23	46.7 Å²	46.7	16%	0.161	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-20.9	-177.3	71.9	0	0	0	0	114.1	T340 F341 L356	T340-S353 WeakPolarHBondContact CB-OG 3.46Å; F341-S353 WeakPolarHBondContact CD1-OG 3.42Å; F341-S353 VanDerWaalsContact CZ-CB 3.49Å; F341-S353 PolarHBondContact N-OG 2.82Å; F341-S353 WeakPolarHBondContact O-CB 3.34Å; F341-S353 PolarHBondContact O-N 2.73Å; F341-S353 PolarHBondContact O-OG 2.91Å; S353-L356 WeakPolarHBondContact O-CD2 3.23Å
354	S	86.5	Confident	90.2	Very high	72 Å²	72	46.6 Å²	46.6	50%	0.503	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-40.9	177	76.4	0	0	0	0	112.2	N352	N352-S354 VanDerWaalsContact C-N 3.28Å; N352-S354 PolarHBondContact ND2-OG 3.31Å; N352-S354 PolarHBondContact O-N 2.94Å; N352-S354 WeakPolarHBondContact OD1-CB 3.39Å; N352-S354 PolarHBondContact OD1-N 2.71Å; N352-S354 PolarHBondContact OD1-OG 2.91Å
355	T	83.4	Confident	90.1	Very high	61 Å²	61	51.3 Å²	51.3	37%	0.374	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-12.3	-178.7	59.5	0	0	0	0	113.3	N352 K357	N352-T355 PolarHBondContact O-N 2.81Å; T355-K357 WeakPolarHBondContact O-CG 3.45Å; T355-K357 PolarHBondContact O-N 2.84Å
356	L	81.6	Confident	90.1	Very high	83 Å²	83	53.1 Å²	53.1	44%	0.435	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	34.1	-172.6	-56.2	174.1	0	0	0	112.5	F27 N352 S353	F27-L356 HydrophobicContact CE1-CD2 4.14Å; N352-L356 WeakPolarHBondContact O-CA 3.44Å; N352-L356 PolarHBondContact O-N 2.85Å; S353-L356 WeakPolarHBondContact O-CD2 3.23Å
357	K	83.1	Confident	90.2	Very high	102 Å²	102	50.5 Å²	50.5	44%	0.443	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	155.1	-179.3	-69.6	171.5	-170.4	171.4	0	110.2	N352 T355	N352-K357 PolarHBondContact N-O 2.8Å; T355-K357 WeakPolarHBondContact O-CG 3.45Å; T355-K357 PolarHBondContact O-N 2.84Å
358	F	87	Confident	90.4	Very high	62 Å²	62	46 Å²	46	27%	0.272	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.1	162.1	-67	-54.1	0	0	0	110.6	G324 H325 A349 V350	G324-F358 VanDerWaalsContact C-CZ 3.45Å; G324-F358 VanDerWaalsContact O-CE2 3.3Å; G324-F358 WeakPolarHBondContact O-CE2 3.44Å; G324-F358 WeakPolarHBondContact O-CZ 3.42Å; H325-F358 AromaticContact CE1-CE1 3.44Å; H325-F358 VanDerWaalsContact CE1-CE1 3.44Å; H325-F358 WeakPolarHBondContact CE1-CE1 3.35Å; H325-F358 AromaticContact ND1-CE1 3.57Å; H325-F358 AromaticContact ND1-CZ 3.77Å; H325-F358 AromaticContact NE2-CE1 3.9Å; A349-F358 HydrophobicContact CB-CD1 3.83Å; A349-F358 HydrophobicContact CB-CE1 3.84Å; A349-F358 HydrophobicContact CB-CG 4.25Å; A349-F358 HydrophobicContact CB-CZ 4.21Å; V350-F358 CarbonylContact O-C 3.57Å; V350-F358 VanDerWaalsContact O-CA 3.32Å; V350-F358 WeakPolarHBondContact O-CA 3.37Å
359	L	88.2	Confident	90.5	Very high	25 Å²	25	48 Å²	48	13%	0.131	27%	0.273	C	S	.	.			trans	-63.2	140.3	168.5	-56.8	-177.3	0	0	0	108.9	F342 V350 N352 W363 L378 V397	F342-L359 HydrophobicContact CD1-CD1 4.13Å; F342-L359 HydrophobicContact CE1-CD1 4.14Å; F342-L359 HydrophobicContact CE1-CD2 4.48Å; V350-L359 HydrophobicContact CB-CD1 4.2Å; V350-L359 HydrophobicContact CB-CG 4.46Å; V350-L359 HydrophobicContact CG1-CD1 3.69Å; V350-L359 HydrophobicContact CG1-CG 4.28Å; V350-L359 PolarHBondContact O-N 2.74Å; N352-L359 HydrophobicContact CB-CD2 4.09Å; L359-W363 HydrophobicContact CB-CH2 3.72Å; L359-W363 HydrophobicContact CB-CZ2 4.23Å; L359-W363 HydrophobicContact CB-CZ3 4.27Å; L359-W363 HydrophobicContact CD1-CH2 3.56Å; L359-W363 HydrophobicContact CD1-CZ3 3.86Å; L359-W363 HydrophobicContact CG-CH2 4.24Å; L359-L378 HydrophobicContact CD1-CD2 4.17Å; L359-V397 HydrophobicContact CD2-CG2 4.2Å
360	S	83.8	Confident	90.7	Very high	82 Å²	82	47.7 Å²	47.7	57%	0.573	27%	0.271	S	S	*	.	S	Bend	trans	-137	138.4	-175.6	178.8	0	0	0	0	109.7
361	P	87.7	Confident	90.9	Very high	81 Å²	81	48.1 Å²	48.1	53%	0.526	27%	0.272	S	S	.	.	S	Bend	cis	-68.9	163.5	-0.8	31.1	-35.9	0	0	0	112.6	W363	P361-W363 PolarHBondContact O-N 3.12Å; P361-W363 PolarHBondContact O-NE1 2.89Å; P361-W363 VanDerWaalsContact O-NE1 3.08Å
362	K	88.1	Confident	91.1	Very high	108 Å²	108	50 Å²	50	47%	0.47	28%	0.28	S	S	.	.			trans	-72.9	119.7	173.4	-174	-179.3	-179.8	174.7	0	109	E347 G348 H364	E347-K362 WeakPolarHBondContact O-CE 3.28Å; E347-K362 PolarHBondContact O-NZ 2.91Å; G348-K362 VanDerWaalsContact C-CE 3.48Å; K362-H364 WeakPolarHBondContact CD-O 3.34Å; K362-H364 WeakPolarHBondContact CE-O 3.4Å; K362-H364 VanDerWaalsContact CG-O 3.24Å; K362-H364 WeakPolarHBondContact CG-O 3.34Å
363	W	90.2	Very high	91.3	Very high	39 Å²	39	50.1 Å²	50.1	15%	0.148	28%	0.279	C	S	.	.			trans	-90.2	-26.7	-177.3	-44.6	-55.2	0	0	0	113.5	L359 P361 A388 V390 V397 A399	L359-W363 HydrophobicContact CB-CH2 3.72Å; L359-W363 HydrophobicContact CB-CZ2 4.23Å; L359-W363 HydrophobicContact CB-CZ3 4.27Å; L359-W363 HydrophobicContact CD1-CH2 3.56Å; L359-W363 HydrophobicContact CD1-CZ3 3.86Å; L359-W363 HydrophobicContact CG-CH2 4.24Å; P361-W363 PolarHBondContact O-N 3.12Å; P361-W363 PolarHBondContact O-NE1 2.89Å; P361-W363 VanDerWaalsContact O-NE1 3.08Å; W363-A388 HydrophobicContact CB-CB 4.33Å; W363-V390 HydrophobicContact CE3-CG2 4.24Å; W363-V390 HydrophobicContact CH2-CG2 3.35Å; W363-V390 HydrophobicContact CZ2-CG2 4.04Å; W363-V390 HydrophobicContact CZ3-CG2 3.46Å; W363-V390 VanDerWaalsContact CZ3-CG2 3.46Å; W363-V397 HydrophobicContact CH2-CB 4.04Å; W363-V397 HydrophobicContact CH2-CG1 3.55Å; W363-V397 HydrophobicContact CZ2-CB 3.73Å; W363-V397 HydrophobicContact CZ2-CG1 3.47Å; W363-V397 VanDerWaalsContact CZ2-CG1 3.47Å; W363-A399 HydrophobicContact CD2-CB 3.48Å; W363-A399 VanDerWaalsContact CD2-CB 3.48Å; W363-A399 VanDerWaalsContact CE2-CB 3.43Å; W363-A399 HydrophobicContact CE3-CB 3.98Å; W363-A399 HydrophobicContact CG-CB 3.79Å; W363-A399 HydrophobicContact CH2-CB 4.36Å; W363-A399 HydrophobicContact CZ2-CB 3.91Å; W363-A399 HydrophobicContact CZ3-CB 4.39Å
364	H	95.7	Very high	91.4	Very high	5 Å²	5	50.6 Å²	50.6	2%	0.023	28%	0.281	C	S	.	.			trans	-104.1	144.6	179.3	-62.8	-50.3	0	0	0	111.3	K362 T380 S382 D384 T386	K362-H364 WeakPolarHBondContact CD-O 3.34Å; K362-H364 WeakPolarHBondContact CE-O 3.4Å; K362-H364 VanDerWaalsContact CG-O 3.24Å; K362-H364 WeakPolarHBondContact CG-O 3.34Å; H364-T380 VanDerWaalsContact NE2-CB 3.3Å; H364-T380 WeakPolarHBondContact NE2-CB 3.46Å; H364-T380 PolarHBondContact NE2-OG1 2.67Å; H364-T380 VanDerWaalsContact NE2-OG1 3.09Å; H364-S382 VanDerWaalsContact CG-CB 3.41Å; H364-S382 WeakPolarHBondContact ND1-CB 3.47Å; H364-D384 WeakPolarHBondContact CA-OD2 2.94Å; H364-D384 WeakPolarHBondContact CB-OD2 3.03Å; H364-D384 IonicContact ND1-OD1 3.87Å; H364-D384 IonicContact ND1-OD2 2.85Å; H364-T386 PolarHBondContact CE1-OG1 3.13Å; H364-T386 PolarHBondContact ND1-OG1 3.09Å
365	S	95.1	Very high	91.5	Very high	100 Å²	100	53.4 Å²	53.4	70%	0.699	28%	0.284	S	S	*	.	S	Bend	trans	-105.8	-4.9	177	60.6	0	0	0	0	113.1	D384	S365-D384 PolarHBondContact N-OD2 2.56Å; S365-D384 WeakPolarHBondContact OG-CB 3.41Å; S365-D384 PolarHBondContact OG-OD2 2.75Å
366	S	97	Very high	91.6	Very high	44 Å²	44	53 Å²	53	31%	0.308	28%	0.28	S	S	.	.	S	Bend	trans	-142.3	-176.4	-178.2	-159.7	0	0	0	0	110.9	E347 G348 V368 S382	E347-S366 CarbonylContact C-O 3.49Å; G348-S366 WeakPolarHBondContact CA-O 3.5Å; G348-S366 PolarHBondContact N-O 3.22Å; G348-S366 VanDerWaalsContact N-O 3.1Å; S366-V368 PolarHBondContact O-N 3.5Å; S366-S382 PolarHBondContact O-OG 2.67Å; S366-S382 VanDerWaalsContact O-OG 3.12Å
367	Q	97.7	Very high	92.2	Very high	39 Å²	39	49.2 Å²	49.2	18%	0.182	26%	0.26	C	S	.	.			trans	-53.1	125.2	-174.4	169.7	171.9	-32.8	0	0	112.8	T330 M346 Q369 S382 M383	T330-Q367 HydrophobicContact CG2-CG 3.83Å; M346-Q367 HydrophobicContact CG-CB 4.28Å; M346-Q367 WeakPolarHBondContact O-CA 3.29Å; M346-Q367 WeakPolarHBondContact O-CB 3.41Å; M346-Q367 PolarHBondContact O-N 2.89Å; Q367-Q369 PolarHBondContact O-N 3.45Å; Q367-Q369 VanDerWaalsContact O-N 3.15Å; Q367-S382 CarbonylContact O-C 3.48Å; Q367-S382 VanDerWaalsContact O-CA 3.26Å; Q367-S382 WeakPolarHBondContact O-CA 3.27Å; Q367-S382 PolarHBondContact O-OG 3.19Å; Q367-M383 HydrophobicContact CB-CB 4.34Å; Q367-M383 HydrophobicContact CB-CG 3.89Å; Q367-M383 HydrophobicContact CG-CG 4.29Å; Q367-M383 PolarHBondContact O-N 3.1Å
368	V	98.1	Very high	92.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	109.8	168.9	-170.6	0	0	0	0	108.3	T330 S331 D345 V350 S366 M371 V381	T330-V368 WeakPolarHBondContact CB-O 3.44Å; T330-V368 PolarHBondContact OG1-O 2.83Å; S331-V368 WeakPolarHBondContact OG-CG1 3.31Å; D345-V368 PolarHBondContact O-N 3.43Å; V350-V368 HydrophobicContact CG2-CG2 4.2Å; S366-V368 PolarHBondContact O-N 3.5Å; V368-M371 HydrophobicContact CG1-CG 3.62Å; V368-M371 HydrophobicContact CG1-SD 4.04Å; V368-V381 CarbonylContact C-O 3.54Å
369	Q	97.4	Very high	93.2	Very high	45 Å²	45	41.4 Å²	41.4	21%	0.21	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-37.6	-170.6	-173.6	57.2	88	0	0	112.4	Q367 V381 M383 P408 R409	Q367-Q369 PolarHBondContact O-N 3.45Å; Q367-Q369 VanDerWaalsContact O-N 3.15Å; Q369-V381 HydrophobicContact CB-CG2 4.49Å; Q369-V381 PolarHBondContact N-O 3.02Å; Q369-M383 PolarHBondContact OE1-SD 2.96Å; Q369-P408 WeakPolarHBondContact CG-O 3.43Å; Q369-R409 WeakPolarHBondContact CG-O 3.29Å
370	A	98.1	Very high	93.6	Very high	8 Å²	8	40.2 Å²	40.2	7%	0.066	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	156.2	175.5	0	0	0	0	0	110.7	V381 D410 V411	A370-V381 HydrophobicContact CB-CG2 3.82Å; A370-V381 PolarHBondContact N-O 2.92Å; A370-V381 PolarHBondContact O-N 3.28Å; A370-D410 HydrophobicContact CB-CB 4.49Å; A370-D410 WeakPolarHBondContact CB-OD1 3.47Å; A370-V411 HydrophobicContact CB-CG1 4.21Å
371	M	97.7	Very high	94.3	Very high	13 Å²	13	36.3 Å²	36.3	6%	0.064	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.4	175.3	-63.1	-168.7	-56.4	0	0	110.2	S331 A333 F342 G344 V350 V368 L378 L379 T380	S331-M371 WeakPolarHBondContact O-CE 3.38Å; S331-M371 WeakPolarHBondContact OG-CE 3.2Å; S331-M371 WeakPolarHBondContact OG-CG 3.37Å; A333-M371 HydrophobicContact CB-CB 3.84Å; A333-M371 HydrophobicContact CB-CE 4.33Å; F342-M371 HydrophobicContact CB-CE 4.32Å; F342-M371 VanDerWaalsContact O-CE 3.28Å; F342-M371 WeakPolarHBondContact O-CE 3.27Å; G344-M371 VanDerWaalsContact N-CE 3.31Å; V350-M371 HydrophobicContact CG1-SD 4.22Å; V368-M371 HydrophobicContact CG1-CG 3.62Å; V368-M371 HydrophobicContact CG1-SD 4.04Å; M371-L378 HydrophobicContact CB-CD1 4.45Å; M371-L379 CarbonylContact C-O 3.55Å; M371-L379 VanDerWaalsContact CA-O 3.22Å; M371-L379 WeakPolarHBondContact CA-O 3.37Å; M371-T380 HydrophobicContact CG-CG2 3.74Å; M371-T380 HydrophobicContact SD-CG2 3.82Å
372	H	96.7	Very high	94.8	Very high	47 Å²	47	32.4 Å²	32.4	22%	0.218	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	127.4	172.6	-175.8	64.4	0	0	0	110.4	T374 L379 I412 G413	H372-T374 WeakPolarHBondContact NE2-CG2 3.36Å; H372-L379 HydrophobicContact CB-CB 4.35Å; H372-L379 PolarHBondContact N-O 3.35Å; H372-L379 PolarHBondContact O-N 3.48Å; H372-I412 WeakPolarHBondContact CE1-CD1 3.32Å; H372-I412 VanDerWaalsContact ND1-CD1 3.34Å; H372-I412 WeakPolarHBondContact ND1-CD1 3.18Å; H372-G413 PolarHBondContact CD2-O 2.85Å; H372-G413 PolarHBondContact NE2-O 2.75Å
373	K	94.9	Very high	95.2	Very high	14 Å²	14	30 Å²	30	6%	0.061	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124	179	176	61	176.2	133.6	0	109	A333 A334 D335 F342 K375 I377 L378 M393	A333-K373 HydrophobicContact CB-CB 3.81Å; A334-K373 WeakPolarHBondContact O-CB 3.32Å; A334-K373 WeakPolarHBondContact O-CG 3.36Å; D335-K373 HydrophobicContact CB-CG 4.08Å; F342-K373 HydrophobicContact CD2-CD 4.45Å; F342-K373 HydrophobicContact CD2-CG 4.47Å; F342-K373 HydrophobicContact CE2-CD 4.18Å; K373-K375 PolarHBondContact NZ-O 2.94Å; K373-K375 VanDerWaalsContact NZ-O 3.1Å; K373-I377 WeakPolarHBondContact CD-O 3.21Å; K373-L378 HydrophobicContact CB-CD1 4.25Å; K373-L378 HydrophobicContact CD-CB 4.17Å; K373-M393 HydrophobicContact CD-CE 3.57Å; K373-M393 HydrophobicContact CD-SD 4.45Å; K373-M393 VanDerWaalsContact CE-CE 3.42Å
374	T	92.2	Very high	95.6	Very high	33 Å²	33	29 Å²	29	20%	0.202	16%	0.156	C	C	.	.			trans	-105.9	178.8	163.7	66.2	0	0	0	0	108.9	H372 D376 I377 G413	H372-T374 WeakPolarHBondContact NE2-CG2 3.36Å; T374-D376 PolarHBondContact O-N 3.25Å; T374-D376 VanDerWaalsContact O-N 3.09Å; T374-D376 PolarHBondContact OG1-N 3.47Å; T374-I377 PolarHBondContact N-O 2.87Å; T374-I377 VanDerWaalsContact OG1-CG1 3.25Å; T374-I377 WeakPolarHBondContact OG1-CG1 3.15Å; T374-I377 PolarHBondContact OG1-N 3.38Å; T374-I377 PolarHBondContact OG1-O 3.39Å; T374-G413 VanDerWaalsContact CG2-O 3.23Å; T374-G413 WeakPolarHBondContact CG2-O 3.36Å
375	K	87.8	Confident	95.6	Very high	130 Å²	130	30.9 Å²	30.9	57%	0.565	17%	0.166	S	C	*	.	S	Bend	trans	-45.7	-41.9	169.3	172.4	171.9	-165.8	124.1	0	112.3	E337 K373	E337-K375 WeakPolarHBondContact OE1-CD 3.37Å; E337-K375 VanDerWaalsContact OE1-CE 3.25Å; E337-K375 WeakPolarHBondContact OE1-CE 3.3Å; E337-K375 WeakPolarHBondContact OE1-CG 3.39Å; E337-K375 IonicContact OE1-NZ 2.64Å; E337-K375 PolarHBondContact OE1-NZ 2.93Å; E337-K375 WeakPolarHBondContact OE2-CG 3.1Å; E337-K375 IonicContact OE2-NZ 3.26Å; K373-K375 PolarHBondContact NZ-O 2.94Å; K373-K375 VanDerWaalsContact NZ-O 3.1Å
376	D	86.3	Confident	95.8	Very high	53 Å²	53	27 Å²	27	28%	0.283	14%	0.138	S	C	.	.	S	Bend	trans	-106.4	-24.5	-158.7	-84.1	-28.6	0	0	0	114.9	T374 K391 R415	T374-D376 PolarHBondContact O-N 3.25Å; T374-D376 VanDerWaalsContact O-N 3.09Å; T374-D376 PolarHBondContact OG1-N 3.47Å; D376-K391 VanDerWaalsContact O-O 3.11Å; D376-R415 HydrophobicContact CB-CG 3.74Å; D376-R415 VanDerWaalsContact CB-NE 3.32Å; D376-R415 VanDerWaalsContact CG-NH2 3.27Å; D376-R415 PolarHBondContact O-NH2 3.2Å; D376-R415 IonicContact OD1-CZ 2.74Å; D376-R415 IonicContact OD1-NE 2.61Å; D376-R415 IonicContact OD1-NH1 3.63Å; D376-R415 PolarHBondContact OD1-NH1 2.93Å; D376-R415 IonicContact OD1-NH2 3.75Å; D376-R415 PolarHBondContact OD1-NH2 3.41Å; D376-R415 WeakPolarHBondContact OD2-CD 3.2Å; D376-R415 IonicContact OD2-CZ 3.89Å; D376-R415 IonicContact OD2-NE 3.71Å; D376-R415 IonicContact OD2-NH1 2.74Å; D376-R415 PolarHBondContact OD2-NH1 3.48Å; D376-R415 VanDerWaalsContact OD2-NH1 3.08Å
377	I	92.7	Very high	95.8	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.015	12%	0.123	C	C	.	.			trans	-143	150.6	-175.4	60.8	168.5	0	0	0	111.9	K373 T374 L379 T389 V390 K391 D414 R415	K373-I377 WeakPolarHBondContact CD-O 3.21Å; T374-I377 PolarHBondContact N-O 2.87Å; T374-I377 VanDerWaalsContact OG1-CG1 3.25Å; T374-I377 WeakPolarHBondContact OG1-CG1 3.15Å; T374-I377 PolarHBondContact OG1-N 3.38Å; T374-I377 PolarHBondContact OG1-O 3.39Å; I377-L379 HydrophobicContact CD1-CD1 3.94Å; I377-L379 HydrophobicContact CD1-CD2 3.83Å; I377-L379 HydrophobicContact CD1-CG 3.78Å; I377-L379 HydrophobicContact CG1-CG 4.41Å; I377-T389 HydrophobicContact CG2-CG2 4.45Å; I377-V390 CarbonylContact C-O 3.54Å; I377-V390 WeakPolarHBondContact CA-O 3.5Å; I377-K391 HydrophobicContact CG2-CG 3.92Å; I377-D414 WeakPolarHBondContact CD1-O 3.43Å; I377-R415 HydrophobicContact CG2-CG 3.79Å
378	L	94.8	Very high	95.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.7	160.5	169.1	70.5	0	0	0	108.8	A333 F342 V350 L359 M371 K373 T380 V390 M393	A333-L378 HydrophobicContact CB-CD1 4.31Å; F342-L378 HydrophobicContact CB-CD1 4.41Å; F342-L378 HydrophobicContact CB-CD2 4.34Å; F342-L378 HydrophobicContact CD1-CD2 3.83Å; F342-L378 HydrophobicContact CD2-CD1 4.49Å; F342-L378 HydrophobicContact CD2-CD2 4.39Å; F342-L378 HydrophobicContact CE1-CD2 4.27Å; F342-L378 HydrophobicContact CG-CD1 4.42Å; F342-L378 HydrophobicContact CG-CD2 3.91Å; V350-L378 HydrophobicContact CG1-CD2 4.29Å; L359-L378 HydrophobicContact CD1-CD2 4.17Å; M371-L378 HydrophobicContact CB-CD1 4.45Å; K373-L378 HydrophobicContact CB-CD1 4.25Å; K373-L378 HydrophobicContact CD-CB 4.17Å; L378-T380 HydrophobicContact CD1-CG2 4.34Å; L378-T380 HydrophobicContact CD2-CG2 4.32Å; L378-T380 HydrophobicContact CG-CG2 4.08Å; L378-V390 HydrophobicContact CB-CB 4.1Å; L378-V390 HydrophobicContact CB-CG1 4.49Å; L378-V390 PolarHBondContact N-O 2.85Å; L378-V390 PolarHBondContact O-N 2.96Å; L378-M393 HydrophobicContact CB-CE 3.26Å; L378-M393 HydrophobicContact CD2-CE 4.03Å; L378-M393 HydrophobicContact CG-CE 4.24Å
379	L	96.4	Very high	95.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.4	174.2	-62.3	170.7	0	0	0	108.7	M371 H372 I377 L387 T389 V411 V418	M371-L379 CarbonylContact C-O 3.55Å; M371-L379 VanDerWaalsContact CA-O 3.22Å; M371-L379 WeakPolarHBondContact CA-O 3.37Å; H372-L379 HydrophobicContact CB-CB 4.35Å; H372-L379 PolarHBondContact N-O 3.35Å; H372-L379 PolarHBondContact O-N 3.48Å; I377-L379 HydrophobicContact CD1-CD1 3.94Å; I377-L379 HydrophobicContact CD1-CD2 3.83Å; I377-L379 HydrophobicContact CD1-CG 3.78Å; I377-L379 HydrophobicContact CG1-CG 4.41Å; L379-L387 HydrophobicContact CD2-CD1 4.38Å; L379-T389 HydrophobicContact CD2-CG2 3.93Å; L379-T389 WeakPolarHBondContact CD2-OG1 3.34Å; L379-V411 HydrophobicContact CB-CG1 4.25Å; L379-V411 HydrophobicContact CB-CG2 3.99Å; L379-V411 HydrophobicContact CD1-CG2 4.12Å; L379-V418 HydrophobicContact CD1-CB 4.45Å; L379-V418 HydrophobicContact CD1-CG1 3.89Å; L379-V418 HydrophobicContact CD1-CG2 3.83Å; L379-V418 HydrophobicContact CD2-CG1 4.21Å; L379-V418 HydrophobicContact CD2-CG2 3.81Å; L379-V418 HydrophobicContact CG-CG2 4.48Å
380	T	97.3	Very high	95.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.7	179.4	47.9	0	0	0	0	108.4	V350 H364 M371 L378 L387 A388	V350-T380 HydrophobicContact CG2-CG2 4.27Å; H364-T380 VanDerWaalsContact NE2-CB 3.3Å; H364-T380 WeakPolarHBondContact NE2-CB 3.46Å; H364-T380 PolarHBondContact NE2-OG1 2.67Å; H364-T380 VanDerWaalsContact NE2-OG1 3.09Å; M371-T380 HydrophobicContact CG-CG2 3.74Å; M371-T380 HydrophobicContact SD-CG2 3.82Å; L378-T380 HydrophobicContact CD1-CG2 4.34Å; L378-T380 HydrophobicContact CD2-CG2 4.32Å; L378-T380 HydrophobicContact CG-CG2 4.08Å; T380-L387 WeakPolarHBondContact O-CA 3.46Å; T380-A388 PolarHBondContact N-O 3.43Å; T380-A388 PolarHBondContact O-N 3.33Å; T380-A388 WeakPolarHBondContact OG1-CB 3.38Å; T380-A388 PolarHBondContact OG1-O 3.18Å; T380-A388 VanDerWaalsContact OG1-O 3.12Å
381	V	98.1	Very high	94.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.6	172.6	-69.2	0	0	0	0	110.2	V368 Q369 A370 T386 L387 P408 V411 V420	V368-V381 CarbonylContact C-O 3.54Å; Q369-V381 HydrophobicContact CB-CG2 4.49Å; Q369-V381 PolarHBondContact N-O 3.02Å; A370-V381 HydrophobicContact CB-CG2 3.82Å; A370-V381 PolarHBondContact N-O 2.92Å; A370-V381 PolarHBondContact O-N 3.28Å; V381-T386 WeakPolarHBondContact CA-O 3.32Å; V381-L387 HydrophobicContact CG1-CB 4.19Å; V381-L387 HydrophobicContact CG1-CD1 3.67Å; V381-P408 HydrophobicContact CB-CB 3.73Å; V381-P408 HydrophobicContact CB-CG 3.72Å; V381-P408 HydrophobicContact CG1-CB 4.14Å; V381-P408 HydrophobicContact CG1-CG 4.45Å; V381-P408 HydrophobicContact CG2-CB 4.03Å; V381-P408 HydrophobicContact CG2-CG 4.32Å; V381-V411 HydrophobicContact CB-CB 4.49Å; V381-V411 HydrophobicContact CB-CG1 4.46Å; V381-V411 HydrophobicContact CG1-CB 3.73Å; V381-V411 HydrophobicContact CG1-CG1 4.04Å; V381-V411 HydrophobicContact CG1-CG2 4.08Å; V381-V411 HydrophobicContact CG2-CB 3.96Å; V381-V411 HydrophobicContact CG2-CG1 3.79Å; V381-V420 HydrophobicContact CG1-CG1 4.17Å; V381-V420 HydrophobicContact CG1-CG2 4.47Å
382	S	98.3	Very high	93.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	157.1	-172	165.7	0	0	0	0	112.8	H364 S366 Q367 D384 D385 T386 P408	H364-S382 VanDerWaalsContact CG-CB 3.41Å; H364-S382 WeakPolarHBondContact ND1-CB 3.47Å; S366-S382 PolarHBondContact O-OG 2.67Å; S366-S382 VanDerWaalsContact O-OG 3.12Å; Q367-S382 CarbonylContact O-C 3.48Å; Q367-S382 VanDerWaalsContact O-CA 3.26Å; Q367-S382 WeakPolarHBondContact O-CA 3.27Å; Q367-S382 PolarHBondContact O-OG 3.19Å; S382-D384 WeakPolarHBondContact CB-OD1 3.47Å; S382-D384 PolarHBondContact O-N 2.84Å; S382-D384 VanDerWaalsContact O-N 3.09Å; S382-D384 PolarHBondContact OG-N 3.33Å; S382-D384 PolarHBondContact OG-OD1 2.87Å; S382-D384 PolarHBondContact OG-OD2 2.85Å; S382-D385 PolarHBondContact O-N 2.9Å; S382-D385 VanDerWaalsContact O-N 3.08Å; S382-T386 PolarHBondContact N-O 3.35Å; S382-T386 VanDerWaalsContact N-O 3.12Å; S382-P408 VanDerWaalsContact O-CD 3.28Å; S382-P408 WeakPolarHBondContact O-CD 3.37Å; S382-P408 WeakPolarHBondContact O-CG 3.46Å
383	M	97.6	Very high	91.8	Very high	56 Å²	56	29.7 Å²	29.7	28%	0.276	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-6	175.2	-68.2	-70.7	-77.8	0	0	113.8	Q367 Q369 D385 Q407	Q367-M383 HydrophobicContact CB-CB 4.34Å; Q367-M383 HydrophobicContact CB-CG 3.89Å; Q367-M383 HydrophobicContact CG-CG 4.29Å; Q367-M383 PolarHBondContact O-N 3.1Å; Q369-M383 PolarHBondContact OE1-SD 2.96Å; M383-D385 PolarHBondContact O-N 2.94Å; M383-Q407 HydrophobicContact CE-CG 4.34Å; M383-Q407 HydrophobicContact SD-CG 3.61Å; M383-Q407 PolarHBondContact SD-NE2 2.85Å; M383-Q407 VanDerWaalsContact SD-NE2 3.44Å
384	D	96.9	Very high	90	Very high	20 Å²	20	33.9 Å²	33.9	11%	0.107	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	15.2	168.5	60.3	21	0	0	0	113.5	H364 S365 S382 T386 K403	H364-D384 WeakPolarHBondContact CA-OD2 2.94Å; H364-D384 WeakPolarHBondContact CB-OD2 3.03Å; H364-D384 IonicContact ND1-OD1 3.87Å; H364-D384 IonicContact ND1-OD2 2.85Å; S365-D384 PolarHBondContact N-OD2 2.56Å; S365-D384 WeakPolarHBondContact OG-CB 3.41Å; S365-D384 PolarHBondContact OG-OD2 2.75Å; S382-D384 WeakPolarHBondContact CB-OD1 3.47Å; S382-D384 PolarHBondContact O-N 2.84Å; S382-D384 VanDerWaalsContact O-N 3.09Å; S382-D384 PolarHBondContact OG-N 3.33Å; S382-D384 PolarHBondContact OG-OD1 2.87Å; S382-D384 PolarHBondContact OG-OD2 2.85Å; D384-T386 VanDerWaalsContact C-N 3.34Å; D384-T386 PolarHBondContact O-N 2.89Å; D384-T386 WeakPolarHBondContact OD1-CB 2.94Å; D384-T386 PolarHBondContact OD1-N 2.97Å; D384-T386 VanDerWaalsContact OD1-N 3.09Å; D384-T386 PolarHBondContact OD1-OG1 2.72Å; D384-K403 PolarHBondContact O-NZ 3.46Å
385	D	97.5	Very high	88	Confident	44 Å²	44	40.4 Å²	40.4	24%	0.235	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	44.3	-174.8	-23.9	-63.2	0	0	0	113.4	S382 M383 K403 L404 Q407	S382-D385 PolarHBondContact O-N 2.9Å; S382-D385 VanDerWaalsContact O-N 3.08Å; M383-D385 PolarHBondContact O-N 2.94Å; D385-K403 WeakPolarHBondContact O-CD 3.48Å; D385-K403 IonicContact OD2-NZ 2.74Å; D385-K403 PolarHBondContact OD2-NZ 2.93Å; D385-L404 HydrophobicContact CB-CB 4.22Å; D385-L404 WeakPolarHBondContact O-CB 3.24Å; D385-L404 PolarHBondContact O-N 3.43Å; D385-Q407 VanDerWaalsContact OD1-CA 3.27Å; D385-Q407 WeakPolarHBondContact OD1-CA 3.3Å; D385-Q407 PolarHBondContact OD1-N 2.9Å
386	T	97.5	Very high	86.6	Confident	17 Å²	17	42.7 Å²	42.7	10%	0.104	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	145.7	173.5	64	0	0	0	0	112.4	H364 V381 S382 D384 T401 I402 K403	H364-T386 PolarHBondContact CE1-OG1 3.13Å; H364-T386 PolarHBondContact ND1-OG1 3.09Å; V381-T386 WeakPolarHBondContact CA-O 3.32Å; S382-T386 PolarHBondContact N-O 3.35Å; S382-T386 VanDerWaalsContact N-O 3.12Å; D384-T386 VanDerWaalsContact C-N 3.34Å; D384-T386 PolarHBondContact O-N 2.89Å; D384-T386 WeakPolarHBondContact OD1-CB 2.94Å; D384-T386 PolarHBondContact OD1-N 2.97Å; D384-T386 VanDerWaalsContact OD1-N 3.09Å; D384-T386 PolarHBondContact OD1-OG1 2.72Å; T386-T401 HydrophobicContact CG2-CG2 4.06Å; T386-I402 WeakPolarHBondContact CA-O 3.47Å; T386-K403 HydrophobicContact CG2-CD 4.29Å
387	L	97.4	Very high	85.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.5	163.6	166.7	64.9	0	0	0	107.3	L379 T380 V381 T401 I402 L404 V411 V418 V420 F429	L379-L387 HydrophobicContact CD2-CD1 4.38Å; T380-L387 WeakPolarHBondContact O-CA 3.46Å; V381-L387 HydrophobicContact CG1-CB 4.19Å; V381-L387 HydrophobicContact CG1-CD1 3.67Å; L387-T401 CarbonylContact O-C 3.58Å; L387-T401 WeakPolarHBondContact O-CA 3.46Å; L387-I402 HydrophobicContact CB-CB 4.5Å; L387-I402 HydrophobicContact CD2-CD1 4.27Å; L387-I402 PolarHBondContact N-O 3.39Å; L387-I402 PolarHBondContact O-N 3.17Å; L387-L404 HydrophobicContact CB-CD1 4.28Å; L387-L404 HydrophobicContact CB-CD2 4.05Å; L387-L404 HydrophobicContact CB-CG 4.33Å; L387-V411 HydrophobicContact CD1-CG2 4.03Å; L387-V418 HydrophobicContact CD1-CG1 4.44Å; L387-V418 HydrophobicContact CD2-CG1 4.13Å; L387-V420 HydrophobicContact CD1-CG2 4.42Å; L387-V420 HydrophobicContact CD2-CG2 4.02Å; L387-F429 HydrophobicContact CD2-CD2 3.97Å; L387-F429 HydrophobicContact CD2-CE2 4.1Å; L387-F429 HydrophobicContact CD2-CG 4.3Å
388	A	95.6	Very high	85	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.4	172.3	0	0	0	0	0	110.6	W363 T380 A399 E400	W363-A388 HydrophobicContact CB-CB 4.33Å; T380-A388 PolarHBondContact N-O 3.43Å; T380-A388 PolarHBondContact O-N 3.33Å; T380-A388 WeakPolarHBondContact OG1-CB 3.38Å; T380-A388 PolarHBondContact OG1-O 3.18Å; T380-A388 VanDerWaalsContact OG1-O 3.12Å; A388-A399 HydrophobicContact CB-CB 4.24Å; A388-E400 WeakPolarHBondContact CA-O 3.19Å
389	T	94.5	Very high	84.5	Confident	4 Å²	4	49.8 Å²	49.8	3%	0.025	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	118.3	178.9	-56.9	0	0	0	0	109.6	I377 L379 K391 A399 E400 N432	I377-T389 HydrophobicContact CG2-CG2 4.45Å; L379-T389 HydrophobicContact CD2-CG2 3.93Å; L379-T389 WeakPolarHBondContact CD2-OG1 3.34Å; T389-K391 HydrophobicContact CG2-CG 4.38Å; T389-A399 WeakPolarHBondContact O-CA 3.44Å; T389-E400 PolarHBondContact N-O 3.38Å; T389-E400 PolarHBondContact O-N 3.11Å; T389-N432 PolarHBondContact OG1-OD1 2.85Å; T389-N432 VanDerWaalsContact OG1-OD1 3.09Å
390	V	90.8	Very high	84.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116.6	177.4	167.1	0	0	0	0	108.8	W363 I377 L378 M393 V397 A399	W363-V390 HydrophobicContact CE3-CG2 4.24Å; W363-V390 HydrophobicContact CH2-CG2 3.35Å; W363-V390 HydrophobicContact CZ2-CG2 4.04Å; W363-V390 HydrophobicContact CZ3-CG2 3.46Å; W363-V390 VanDerWaalsContact CZ3-CG2 3.46Å; I377-V390 CarbonylContact C-O 3.54Å; I377-V390 WeakPolarHBondContact CA-O 3.5Å; L378-V390 HydrophobicContact CB-CB 4.1Å; L378-V390 HydrophobicContact CB-CG1 4.49Å; L378-V390 PolarHBondContact N-O 2.85Å; L378-V390 PolarHBondContact O-N 2.96Å; V390-M393 HydrophobicContact CG1-CE 4.35Å; V390-M393 HydrophobicContact CG1-CG 4.03Å; V390-V397 HydrophobicContact CB-CG1 4.04Å; V390-V397 HydrophobicContact CG1-CG1 3.26Å; V390-V397 HydrophobicContact CG2-CG1 3.67Å; V390-A399 HydrophobicContact CG2-CB 3.77Å
391	K	84.1	Confident	84.1	Confident	97 Å²	97	57.5 Å²	57.5	42%	0.422	29%	0.287	S	S	.	.			trans	-98.7	-28.6	-179.7	-67.3	171.8	-178.5	161.1	0	113.9	D376 I377 T389 E400	D376-K391 VanDerWaalsContact O-O 3.11Å; I377-K391 HydrophobicContact CG2-CG 3.92Å; T389-K391 HydrophobicContact CG2-CG 4.38Å; K391-E400 IonicContact NZ-OE1 2.63Å; K391-E400 PolarHBondContact NZ-OE1 2.89Å; K391-E400 IonicContact NZ-OE2 3.59Å
392	N	71.3	Confident	84	Confident	100 Å²	100	59.1 Å²	59.1	54%	0.535	30%	0.296	S	S	.	.			trans	-127.6	130.2	-178.3	-158.3	12	0	0	0	109.3	D394	N392-D394 PolarHBondContact ND2-OD2 2.65Å; N392-D394 PolarHBondContact OD1-OD2 2.84Å
393	M	65.6	Low	83.9	Confident	52 Å²	52	65.4 Å²	65.4	26%	0.256	32%	0.323	S	S	.	.			trans	-106.2	30.5	-170.8	-69.2	-173.5	163.9	0	0	112.9	F342 K373 L378 V390	F342-M393 HydrophobicContact CD2-CE 4.34Å; F342-M393 HydrophobicContact CE1-CE 4.07Å; F342-M393 HydrophobicContact CE1-SD 4.22Å; F342-M393 HydrophobicContact CE2-CE 3.56Å; F342-M393 HydrophobicContact CE2-SD 3.75Å; F342-M393 HydrophobicContact CZ-CE 3.42Å; F342-M393 VanDerWaalsContact CZ-CE 3.42Å; F342-M393 HydrophobicContact CZ-SD 3.29Å; F342-M393 WeakPolarHBondContact CZ-SD 3.15Å; K373-M393 HydrophobicContact CD-CE 3.57Å; K373-M393 HydrophobicContact CD-SD 4.45Å; K373-M393 VanDerWaalsContact CE-CE 3.42Å; L378-M393 HydrophobicContact CB-CE 3.26Å; L378-M393 HydrophobicContact CD2-CE 4.03Å; L378-M393 HydrophobicContact CG-CE 4.24Å; V390-M393 HydrophobicContact CG1-CE 4.35Å; V390-M393 HydrophobicContact CG1-CG 4.03Å
394	D	56.6	Low	83.8	Confident	102 Å²	102	63 Å²	63	55%	0.545	31%	0.311	S	S	.	.	S	Bend	trans	-72.3	165.7	171.2	-64.5	-35.9	0	0	0	111.4	N392 Q396 V397	N392-D394 PolarHBondContact ND2-OD2 2.65Å; N392-D394 PolarHBondContact OD1-OD2 2.84Å; D394-Q396 CarbonylContact O-C 3.51Å; D394-Q396 PolarHBondContact O-N 3.01Å; D394-V397 WeakPolarHBondContact O-CG2 3.09Å; D394-V397 PolarHBondContact O-N 3.1Å
395	E	50.9	Low	83.7	Confident	171 Å²	171	66.8 Å²	66.8	80%	0.799	33%	0.328	S	S	*	.	S	Bend	trans	-55.7	-23.7	-169.7	-67.4	-164.6	136.3	0	0	115.8
396	Q	57.9	Low	83.5	Confident	178 Å²	178	65.1 Å²	65.1	83%	0.832	32%	0.32	S	S	*	.	S	Bend	trans	-111.6	87.9	167.2	-75.6	-160.7	-10.1	0	0	110.3	D394 Q398	D394-Q396 CarbonylContact O-C 3.51Å; D394-Q396 PolarHBondContact O-N 3.01Å; Q396-Q398 PolarHBondContact O-N 3.46Å
397	V	68.7	Low	83.5	Confident	5 Å²	5	66.4 Å²	66.4	3%	0.03	33%	0.325	C	S	.	.			trans	-76.1	114	-179.2	-179.4	0	0	0	0	109.9	L359 W363 V390 D394	L359-V397 HydrophobicContact CD2-CG2 4.2Å; W363-V397 HydrophobicContact CH2-CB 4.04Å; W363-V397 HydrophobicContact CH2-CG1 3.55Å; W363-V397 HydrophobicContact CZ2-CB 3.73Å; W363-V397 HydrophobicContact CZ2-CG1 3.47Å; W363-V397 VanDerWaalsContact CZ2-CG1 3.47Å; V390-V397 HydrophobicContact CB-CG1 4.04Å; V390-V397 HydrophobicContact CG1-CG1 3.26Å; V390-V397 HydrophobicContact CG2-CG1 3.67Å; D394-V397 WeakPolarHBondContact O-CG2 3.09Å; D394-V397 PolarHBondContact O-N 3.1Å
398	Q	77.5	Confident	83.5	Confident	178 Å²	178	66.4 Å²	66.4	83%	0.832	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-83.2	121.8	163.7	-67.8	-170.9	1.9	0	0	109	Q396	Q396-Q398 PolarHBondContact O-N 3.46Å
399	A	84.3	Confident	83.6	Confident	22 Å²	22	70.1 Å²	70.1	18%	0.182	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.9	170	0	0	0	0	0	109.9	W363 A388 T389 V390 T401	W363-A399 HydrophobicContact CD2-CB 3.48Å; W363-A399 VanDerWaalsContact CD2-CB 3.48Å; W363-A399 VanDerWaalsContact CE2-CB 3.43Å; W363-A399 HydrophobicContact CE3-CB 3.98Å; W363-A399 HydrophobicContact CG-CB 3.79Å; W363-A399 HydrophobicContact CH2-CB 4.36Å; W363-A399 HydrophobicContact CZ2-CB 3.91Å; W363-A399 HydrophobicContact CZ3-CB 4.39Å; A388-A399 HydrophobicContact CB-CB 4.24Å; T389-A399 WeakPolarHBondContact O-CA 3.44Å; V390-A399 HydrophobicContact CG2-CB 3.77Å; A399-T401 PolarHBondContact O-N 3.2Å
400	E	90.9	Very high	83.8	Confident	93 Å²	93	70.4 Å²	70.4	44%	0.435	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	116.4	166.2	-70.5	176.9	-134.3	0	0	107.7	A388 T389 K391 N432	A388-E400 WeakPolarHBondContact CA-O 3.19Å; T389-E400 PolarHBondContact N-O 3.38Å; T389-E400 PolarHBondContact O-N 3.11Å; K391-E400 IonicContact NZ-OE1 2.63Å; K391-E400 PolarHBondContact NZ-OE1 2.89Å; K391-E400 IonicContact NZ-OE2 3.59Å; E400-N432 PolarHBondContact OE2-ND2 3.5Å
401	T	93.9	Very high	84.1	Confident	68 Å²	68	70.4 Å²	70.4	42%	0.417	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.1	-176.7	-52.6	0	0	0	0	111	T386 L387 A399	T386-T401 HydrophobicContact CG2-CG2 4.06Å; L387-T401 CarbonylContact O-C 3.58Å; L387-T401 WeakPolarHBondContact O-CA 3.46Å; A399-T401 PolarHBondContact O-N 3.2Å
402	I	95.6	Very high	84.8	Confident	34 Å²	34	66.4 Å²	66.4	17%	0.174	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.7	178.8	-55.7	171	0	0	0	108.3	T386 L387 F429 N432	T386-I402 WeakPolarHBondContact CA-O 3.47Å; L387-I402 HydrophobicContact CB-CB 4.5Å; L387-I402 HydrophobicContact CD2-CD1 4.27Å; L387-I402 PolarHBondContact N-O 3.39Å; L387-I402 PolarHBondContact O-N 3.17Å; I402-F429 HydrophobicContact CD1-CD1 3.83Å; I402-F429 HydrophobicContact CD1-CE1 3.99Å; I402-F429 HydrophobicContact CG2-CE1 3.9Å; I402-F429 HydrophobicContact CG2-CZ 4.39Å; I402-N432 HydrophobicContact CD1-CB 3.93Å; I402-N432 WeakPolarHBondContact CD1-O 3.34Å
403	K	96.6	Very high	85.8	Confident	133 Å²	133	61.8 Å²	61.8	58%	0.578	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	127.4	170	-175.4	72.4	-168.3	173.9	0	109.3	D384 D385 T386	D384-K403 PolarHBondContact O-NZ 3.46Å; D385-K403 WeakPolarHBondContact O-CD 3.48Å; D385-K403 IonicContact OD2-NZ 2.74Å; D385-K403 PolarHBondContact OD2-NZ 2.93Å; T386-K403 HydrophobicContact CG2-CD 4.29Å
404	L	96.7	Very high	87	Confident	6 Å²	6	61.9 Å²	61.9	3%	0.031	30%	0.301	C	S	.	.			trans	-91.1	151.1	175.8	-54.1	176	0	0	0	109.8	D385 L387 S406 P408 V420 L427 F429	D385-L404 HydrophobicContact CB-CB 4.22Å; D385-L404 WeakPolarHBondContact O-CB 3.24Å; D385-L404 PolarHBondContact O-N 3.43Å; L387-L404 HydrophobicContact CB-CD1 4.28Å; L387-L404 HydrophobicContact CB-CD2 4.05Å; L387-L404 HydrophobicContact CB-CG 4.33Å; L404-S406 VanDerWaalsContact C-N 3.29Å; L404-P408 HydrophobicContact CD1-CB 3.71Å; L404-P408 HydrophobicContact CD1-CG 3.76Å; L404-V420 HydrophobicContact CD1-CG1 4.08Å; L404-L427 HydrophobicContact CD2-CD1 4.03Å; L404-F429 HydrophobicContact CD2-CE2 4.02Å; L404-F429 HydrophobicContact CD2-CZ 3.65Å
405	E	93.1	Very high	88.3	Confident	98 Å²	98	63 Å²	63	46%	0.458	30%	0.298	S	S	.	.	S	Bend	trans	-79.2	-12.2	179.4	56.2	169.6	-161.7	0	0	114	L427 K437	E405-L427 HydrophobicContact CG-CD1 4.44Å; E405-K437 WeakPolarHBondContact OE1-CD 3.3Å; E405-K437 WeakPolarHBondContact OE1-CE 3.47Å; E405-K437 IonicContact OE1-NZ 3.56Å; E405-K437 PolarHBondContact OE1-NZ 3.25Å; E405-K437 IonicContact OE2-NZ 2.91Å; E405-K437 PolarHBondContact OE2-NZ 3.09Å
406	S	94.6	Very high	90	Very high	9 Å²	9	60 Å²	60	6%	0.063	29%	0.287	C	S	.	.	S	Bend	trans	-153.5	152.2	-177.4	-176.6	0	0	0	0	109.2	L404	L404-S406 VanDerWaalsContact C-N 3.29Å
407	Q	96.6	Very high	91.6	Very high	45 Å²	45	52.4 Å²	52.4	21%	0.21	25%	0.251	C	S	.	.			trans	-56.5	125.4	-179.9	-175.9	173.8	89.8	0	0	111.6	M383 D385 T422 L423	M383-Q407 HydrophobicContact CE-CG 4.34Å; M383-Q407 HydrophobicContact SD-CG 3.61Å; M383-Q407 PolarHBondContact SD-NE2 2.85Å; M383-Q407 VanDerWaalsContact SD-NE2 3.44Å; D385-Q407 VanDerWaalsContact OD1-CA 3.27Å; D385-Q407 WeakPolarHBondContact OD1-CA 3.3Å; D385-Q407 PolarHBondContact OD1-N 2.9Å; Q407-T422 VanDerWaalsContact O-CA 3.27Å; Q407-T422 WeakPolarHBondContact O-CA 3.06Å; Q407-T422 WeakPolarHBondContact O-CB 3.24Å; Q407-L423 HydrophobicContact CB-CD1 3.84Å; Q407-L423 HydrophobicContact CB-CG 4.16Å; Q407-L423 PolarHBondContact O-N 2.97Å
408	P	97.8	Very high	92.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	153	177	31.8	-35.3	0	0	0	111.6	Q369 V381 S382 L404 V420 A421	Q369-P408 WeakPolarHBondContact CG-O 3.43Å; V381-P408 HydrophobicContact CB-CB 3.73Å; V381-P408 HydrophobicContact CB-CG 3.72Å; V381-P408 HydrophobicContact CG1-CB 4.14Å; V381-P408 HydrophobicContact CG1-CG 4.45Å; V381-P408 HydrophobicContact CG2-CB 4.03Å; V381-P408 HydrophobicContact CG2-CG 4.32Å; S382-P408 VanDerWaalsContact O-CD 3.28Å; S382-P408 WeakPolarHBondContact O-CD 3.37Å; S382-P408 WeakPolarHBondContact O-CG 3.46Å; L404-P408 HydrophobicContact CD1-CB 3.71Å; L404-P408 HydrophobicContact CD1-CG 3.76Å; P408-V420 HydrophobicContact CB-CG1 3.78Å; P408-A421 CarbonylContact C-O 3.59Å; P408-A421 WeakPolarHBondContact CA-O 3.4Å
409	R	97.6	Very high	93.8	Very high	78 Å²	78	44 Å²	44	29%	0.294	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	-36.6	177.3	-68.7	-61.5	-167.8	138	4.8	113.2	Q369 A421 L423	Q369-R409 WeakPolarHBondContact CG-O 3.29Å; R409-A421 PolarHBondContact N-O 3.29Å; R409-L423 HydrophobicContact CG-CD2 4.31Å; R409-L423 VanDerWaalsContact NE-CD2 3.31Å
410	D	98.3	Very high	94.4	Very high	9 Å²	9	43 Å²	43	5%	0.048	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	158.2	177.9	-163.5	15.3	0	0	0	110	A370 A421 C446 V447 R491	A370-D410 HydrophobicContact CB-CB 4.49Å; A370-D410 WeakPolarHBondContact CB-OD1 3.47Å; D410-A421 PolarHBondContact O-N 2.79Å; D410-C446 HydrophobicContact CB-CB 4.31Å; D410-C446 WeakPolarHBondContact OD2-CA 3.43Å; D410-C446 WeakPolarHBondContact OD2-CB 3.42Å; D410-V447 HydrophobicContact CB-CG2 3.98Å; D410-V447 PolarHBondContact OD2-N 2.53Å; D410-V447 VanDerWaalsContact OD2-O 3.14Å; D410-R491 IonicContact OD1-NH2 3.89Å; D410-R491 PolarHBondContact OD1-NH2 2.81Å; D410-R491 IonicContact OD2-CZ 3.43Å; D410-R491 IonicContact OD2-NH1 3.25Å; D410-R491 PolarHBondContact OD2-NH1 3.3Å; D410-R491 IonicContact OD2-NH2 3.8Å; D410-R491 PolarHBondContact OD2-NH2 2.98Å
411	V	98.1	Very high	94.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	139.2	-180	63.7	0	0	0	0	110.3	A370 L379 V381 L387 V418 A419 V420	A370-V411 HydrophobicContact CB-CG1 4.21Å; L379-V411 HydrophobicContact CB-CG1 4.25Å; L379-V411 HydrophobicContact CB-CG2 3.99Å; L379-V411 HydrophobicContact CD1-CG2 4.12Å; V381-V411 HydrophobicContact CB-CB 4.49Å; V381-V411 HydrophobicContact CB-CG1 4.46Å; V381-V411 HydrophobicContact CG1-CB 3.73Å; V381-V411 HydrophobicContact CG1-CG1 4.04Å; V381-V411 HydrophobicContact CG1-CG2 4.08Å; V381-V411 HydrophobicContact CG2-CB 3.96Å; V381-V411 HydrophobicContact CG2-CG1 3.79Å; L387-V411 HydrophobicContact CD1-CG2 4.03Å; V411-V418 HydrophobicContact CG2-CG1 3.78Å; V411-A419 WeakPolarHBondContact CA-O 3.42Å; V411-V420 HydrophobicContact CG2-CG2 4.05Å
412	I	97.3	Very high	94.9	Very high	13 Å²	13	35.3 Å²	35.3	7%	0.067	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	149.7	175.6	-162.6	78.6	0	0	0	109.1	H372 A419 V447 L449 L456	H372-I412 WeakPolarHBondContact CE1-CD1 3.32Å; H372-I412 VanDerWaalsContact ND1-CD1 3.34Å; H372-I412 WeakPolarHBondContact ND1-CD1 3.18Å; I412-A419 HydrophobicContact CG2-CB 4.01Å; I412-A419 PolarHBondContact N-O 2.77Å; I412-A419 PolarHBondContact O-N 2.83Å; I412-V447 HydrophobicContact CB-CG2 4.38Å; I412-V447 HydrophobicContact CG2-CB 4.09Å; I412-V447 HydrophobicContact CG2-CG2 3.87Å; I412-L449 HydrophobicContact CG1-CB 4.04Å; I412-L449 HydrophobicContact CG2-CB 3.99Å; I412-L456 HydrophobicContact CG2-CD1 4.23Å
413	G	94.1	Very high	94.8	Very high	3 Å²	3	35.7 Å²	35.7	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.9	-176.4	175.6	0	0	0	0	0	114.3	H372 T374 M417	H372-G413 PolarHBondContact CD2-O 2.85Å; H372-G413 PolarHBondContact NE2-O 2.75Å; T374-G413 VanDerWaalsContact CG2-O 3.23Å; T374-G413 WeakPolarHBondContact CG2-O 3.36Å; G413-M417 CarbonylContact C-O 3.58Å; G413-M417 WeakPolarHBondContact CA-O 3.27Å
414	D	89.7	Confident	94.7	Very high	55 Å²	55	36.2 Å²	36.2	29%	0.294	17%	0.168	S	C	.	.			trans	-132.4	-166.7	178.4	69.1	11.4	0	0	0	110.8	I377 N416 M417	I377-D414 WeakPolarHBondContact CD1-O 3.43Å; D414-N416 PolarHBondContact O-N 3.04Å; D414-N416 WeakPolarHBondContact OD1-CA 3.48Å; D414-N416 WeakPolarHBondContact OD1-CB 3.48Å; D414-N416 PolarHBondContact OD1-N 3.25Å; D414-M417 PolarHBondContact N-O 3.49Å; D414-M417 PolarHBondContact OD1-N 3.08Å
415	R	84.6	Confident	94.7	Very high	126 Å²	126	36 Å²	36	48%	0.475	17%	0.167	S	C	.	.	S	Bend	trans	-60.3	-28.1	177.5	-85	-171.4	168.2	143.7	15.3	113.7	D376 I377	D376-R415 HydrophobicContact CB-CG 3.74Å; D376-R415 VanDerWaalsContact CB-NE 3.32Å; D376-R415 VanDerWaalsContact CG-NH2 3.27Å; D376-R415 PolarHBondContact O-NH2 3.2Å; D376-R415 IonicContact OD1-CZ 2.74Å; D376-R415 IonicContact OD1-NE 2.61Å; D376-R415 IonicContact OD1-NH1 3.63Å; D376-R415 PolarHBondContact OD1-NH1 2.93Å; D376-R415 IonicContact OD1-NH2 3.75Å; D376-R415 PolarHBondContact OD1-NH2 3.41Å; D376-R415 WeakPolarHBondContact OD2-CD 3.2Å; D376-R415 IonicContact OD2-CZ 3.89Å; D376-R415 IonicContact OD2-NE 3.71Å; D376-R415 IonicContact OD2-NH1 2.74Å; D376-R415 PolarHBondContact OD2-NH1 3.48Å; D376-R415 VanDerWaalsContact OD2-NH1 3.08Å; I377-R415 HydrophobicContact CG2-CG 3.79Å
416	N	85.7	Confident	94.9	Very high	107 Å²	107	31.3 Å²	31.3	57%	0.572	15%	0.145	S	C	*	.	S	Bend	trans	-88.7	-41	-173.8	-59.2	-46.5	0	0	0	111.3	D414 K430	D414-N416 PolarHBondContact O-N 3.04Å; D414-N416 WeakPolarHBondContact OD1-CA 3.48Å; D414-N416 WeakPolarHBondContact OD1-CB 3.48Å; D414-N416 PolarHBondContact OD1-N 3.25Å; N416-K430 WeakPolarHBondContact O-CG 3.05Å
417	M	91.3	Very high	95	Very high	18 Å²	18	31 Å²	31	9%	0.089	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	134.1	-170.3	-179.6	-104.3	-44.9	0	0	112.1	G413 D414 L428 F429 L449 L470 L473	G413-M417 CarbonylContact C-O 3.58Å; G413-M417 WeakPolarHBondContact CA-O 3.27Å; D414-M417 PolarHBondContact N-O 3.49Å; D414-M417 PolarHBondContact OD1-N 3.08Å; M417-L428 HydrophobicContact SD-CD2 4.45Å; M417-F429 CarbonylContact C-O 3.6Å; M417-F429 VanDerWaalsContact CA-O 3.29Å; M417-F429 WeakPolarHBondContact CA-O 3.44Å; M417-L449 HydrophobicContact CE-CD1 3.7Å; M417-L449 HydrophobicContact CE-CD2 3.6Å; M417-L449 HydrophobicContact CE-CG 4.32Å; M417-L449 HydrophobicContact SD-CD1 4.36Å; M417-L449 HydrophobicContact SD-CD2 4.45Å; M417-L470 HydrophobicContact CE-CD2 3.14Å; M417-L470 HydrophobicContact CG-CD2 4.37Å; M417-L470 HydrophobicContact SD-CD2 3.46Å; M417-L470 WeakPolarHBondContact SD-CD2 3.25Å; M417-L473 HydrophobicContact CG-CD2 4.37Å
418	V	95.5	Very high	95	Very high	6 Å²	6	29 Å²	29	4%	0.036	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.5	-180	177.6	0	0	0	0	109	L379 L387 V411 V420 L428 F429	L379-V418 HydrophobicContact CD1-CB 4.45Å; L379-V418 HydrophobicContact CD1-CG1 3.89Å; L379-V418 HydrophobicContact CD1-CG2 3.83Å; L379-V418 HydrophobicContact CD2-CG1 4.21Å; L379-V418 HydrophobicContact CD2-CG2 3.81Å; L379-V418 HydrophobicContact CG-CG2 4.48Å; L387-V418 HydrophobicContact CD1-CG1 4.44Å; L387-V418 HydrophobicContact CD2-CG1 4.13Å; V411-V418 HydrophobicContact CG2-CG1 3.78Å; V418-V420 HydrophobicContact CG1-CG2 4.18Å; V418-L428 CarbonylContact O-C 3.46Å; V418-L428 WeakPolarHBondContact O-CA 3.2Å; V418-F429 HydrophobicContact CB-CB 4.27Å; V418-F429 PolarHBondContact N-O 2.94Å; V418-F429 PolarHBondContact O-N 3.12Å
419	A	96.6	Very high	94.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132.1	172.5	0	0	0	0	0	110.1	V411 I412 L427 L428 L456	V411-A419 WeakPolarHBondContact CA-O 3.42Å; I412-A419 HydrophobicContact CG2-CB 4.01Å; I412-A419 PolarHBondContact N-O 2.77Å; I412-A419 PolarHBondContact O-N 2.83Å; A419-L427 CarbonylContact C-O 3.55Å; A419-L427 WeakPolarHBondContact CA-O 3.32Å; A419-L428 HydrophobicContact CB-CD2 3.62Å; A419-L456 HydrophobicContact CB-CD1 3.69Å; A419-L456 HydrophobicContact CB-CD2 4.26Å
420	V	97.8	Very high	94.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.5	176.4	-174.6	0	0	0	0	108.8	V381 L387 L404 P408 V411 V418 T422 L427 F429	V381-V420 HydrophobicContact CG1-CG1 4.17Å; V381-V420 HydrophobicContact CG1-CG2 4.47Å; L387-V420 HydrophobicContact CD1-CG2 4.42Å; L387-V420 HydrophobicContact CD2-CG2 4.02Å; L404-V420 HydrophobicContact CD1-CG1 4.08Å; P408-V420 HydrophobicContact CB-CG1 3.78Å; V411-V420 HydrophobicContact CG2-CG2 4.05Å; V418-V420 HydrophobicContact CG1-CG2 4.18Å; V420-T422 HydrophobicContact CG1-CG2 4.02Å; V420-L427 HydrophobicContact CB-CB 4.38Å; V420-L427 PolarHBondContact N-O 3.25Å; V420-L427 PolarHBondContact O-N 3.2Å; V420-F429 HydrophobicContact CG2-CD2 4.23Å; V420-F429 HydrophobicContact CG2-CE2 4.03Å
421	A	97.8	Very high	94	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	126.6	165.3	0	0	0	0	0	109.2	P408 R409 D410 I426 A444 V447	P408-A421 CarbonylContact C-O 3.59Å; P408-A421 WeakPolarHBondContact CA-O 3.4Å; R409-A421 PolarHBondContact N-O 3.29Å; D410-A421 PolarHBondContact O-N 2.79Å; A421-I426 HydrophobicContact CB-CD1 4.03Å; A421-A444 HydrophobicContact CB-CB 3.9Å; A421-V447 HydrophobicContact CB-CG1 3.7Å; A421-V447 HydrophobicContact CB-CG2 4.2Å
422	T	97.3	Very high	93.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	169.1	171.5	74.3	0	0	0	0	110.2	Q407 V420 K424 A425 L427	Q407-T422 VanDerWaalsContact O-CA 3.27Å; Q407-T422 WeakPolarHBondContact O-CA 3.06Å; Q407-T422 WeakPolarHBondContact O-CB 3.24Å; V420-T422 HydrophobicContact CG1-CG2 4.02Å; T422-K424 PolarHBondContact O-N 3.08Å; T422-K424 VanDerWaalsContact O-N 3.08Å; T422-K424 PolarHBondContact OG1-N 2.8Å; T422-A425 PolarHBondContact N-O 3.1Å; T422-A425 PolarHBondContact OG1-N 2.93Å; T422-A425 VanDerWaalsContact OG1-N 3.09Å; T422-A425 PolarHBondContact OG1-O 2.71Å; T422-L427 HydrophobicContact CG2-CD1 3.72Å; T422-L427 HydrophobicContact CG2-CG 4.08Å
423	L	94.8	Very high	93.2	Very high	43 Å²	43	43.3 Å²	43.3	23%	0.225	20%	0.203	C	C	.	.	S	Bend	trans	-55.4	-26.2	176	-63.4	176.7	0	0	0	114.3	Q407 R409	Q407-L423 HydrophobicContact CB-CD1 3.84Å; Q407-L423 HydrophobicContact CB-CG 4.16Å; Q407-L423 PolarHBondContact O-N 2.97Å; R409-L423 HydrophobicContact CG-CD2 4.31Å; R409-L423 VanDerWaalsContact NE-CD2 3.31Å
424	K	94.2	Very high	93.2	Very high	144 Å²	144	47.5 Å²	47.5	63%	0.626	22%	0.224	S	C	*	.	S	Bend	trans	-116.8	-21.4	-170.9	-64.6	-178.1	-178.8	175.9	0	114.8	T422 A440	T422-K424 PolarHBondContact O-N 3.08Å; T422-K424 VanDerWaalsContact O-N 3.08Å; T422-K424 PolarHBondContact OG1-N 2.8Å; K424-A440 PolarHBondContact O-N 3.07Å
425	A	96	Very high	93.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	159.2	-171.6	0	0	0	0	0	111.9	T422 L427 K437 E438	T422-A425 PolarHBondContact N-O 3.1Å; T422-A425 PolarHBondContact OG1-N 2.93Å; T422-A425 VanDerWaalsContact OG1-N 3.09Å; T422-A425 PolarHBondContact OG1-O 2.71Å; A425-L427 HydrophobicContact CB-CD2 4.05Å; A425-K437 HydrophobicContact CB-CG 3.95Å; A425-E438 CarbonylContact C-O 3.56Å; A425-E438 VanDerWaalsContact CA-O 3.3Å; A425-E438 WeakPolarHBondContact CA-O 3.12Å; A425-E438 WeakPolarHBondContact CB-O 3.42Å
426	I	97	Very high	93.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.9	161.5	-52.3	-56	0	0	0	107.7	A421 E438 A444 V447 L456 V458 L475	A421-I426 HydrophobicContact CB-CD1 4.03Å; I426-E438 HydrophobicContact CB-CB 4.32Å; I426-E438 PolarHBondContact N-O 2.9Å; I426-E438 PolarHBondContact O-N 3.24Å; I426-A444 HydrophobicContact CD1-CB 3.53Å; I426-V447 HydrophobicContact CD1-CG1 4.25Å; I426-L456 HydrophobicContact CG2-CD2 3.87Å; I426-V458 HydrophobicContact CD1-CG1 3.78Å; I426-V458 HydrophobicContact CD1-CG2 4.25Å; I426-V458 HydrophobicContact CG1-CG1 4.37Å; I426-V458 HydrophobicContact CG1-CG2 4.26Å; I426-L475 HydrophobicContact CB-CD1 4.16Å; I426-L475 HydrophobicContact CG2-CD1 3.85Å
427	L	96.7	Very high	94.2	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.7	-179.3	-55.2	179.6	0	0	0	109.3	L404 E405 A419 V420 T422 A425 F429 L434 K437	L404-L427 HydrophobicContact CD2-CD1 4.03Å; E405-L427 HydrophobicContact CG-CD1 4.44Å; A419-L427 CarbonylContact C-O 3.55Å; A419-L427 WeakPolarHBondContact CA-O 3.32Å; V420-L427 HydrophobicContact CB-CB 4.38Å; V420-L427 PolarHBondContact N-O 3.25Å; V420-L427 PolarHBondContact O-N 3.2Å; T422-L427 HydrophobicContact CG2-CD1 3.72Å; T422-L427 HydrophobicContact CG2-CG 4.08Å; A425-L427 HydrophobicContact CB-CD2 4.05Å; L427-F429 HydrophobicContact CB-CD2 4.38Å; L427-F429 HydrophobicContact CB-CE2 3.62Å; L427-F429 HydrophobicContact CB-CZ 4.25Å; L427-F429 HydrophobicContact CD1-CE2 4.27Å; L427-F429 HydrophobicContact CD1-CZ 4.29Å; L427-L434 HydrophobicContact CB-CD1 3.93Å; L427-L434 HydrophobicContact CD2-CD1 4.08Å; L427-L434 HydrophobicContact CG-CD1 4.47Å; L427-K437 HydrophobicContact CD2-CB 3.97Å; L427-K437 HydrophobicContact CD2-CD 4.35Å; L427-K437 HydrophobicContact CD2-CG 3.79Å
428	L	96.2	Very high	94.3	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.4	173.9	-58.1	180	0	0	0	109.4	M417 V418 A419 A435 C436 L456 L470 L475	M417-L428 HydrophobicContact SD-CD2 4.45Å; V418-L428 CarbonylContact O-C 3.46Å; V418-L428 WeakPolarHBondContact O-CA 3.2Å; A419-L428 HydrophobicContact CB-CD2 3.62Å; L428-A435 PolarHBondContact O-N 3.37Å; L428-C436 HydrophobicContact CB-CB 4.1Å; L428-C436 HydrophobicContact CD1-CB 4.08Å; L428-C436 HydrophobicContact CG-CB 4.39Å; L428-C436 PolarHBondContact N-O 2.95Å; L428-C436 PolarHBondContact O-N 2.77Å; L428-L456 HydrophobicContact CD2-CD2 4.39Å; L428-L470 HydrophobicContact CD1-CD1 3.42Å; L428-L470 VanDerWaalsContact CD1-CD1 3.42Å; L428-L475 HydrophobicContact CD1-CD1 4.31Å; L428-L475 HydrophobicContact CD1-CD2 4.12Å; L428-L475 HydrophobicContact CD1-CG 3.92Å
429	F	94.8	Very high	94.1	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.035	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138.8	175.1	-63.1	-95.9	0	0	0	109.7	L387 I402 L404 M417 V418 V420 L427 K433 L434	L387-F429 HydrophobicContact CD2-CD2 3.97Å; L387-F429 HydrophobicContact CD2-CE2 4.1Å; L387-F429 HydrophobicContact CD2-CG 4.3Å; I402-F429 HydrophobicContact CD1-CD1 3.83Å; I402-F429 HydrophobicContact CD1-CE1 3.99Å; I402-F429 HydrophobicContact CG2-CE1 3.9Å; I402-F429 HydrophobicContact CG2-CZ 4.39Å; L404-F429 HydrophobicContact CD2-CE2 4.02Å; L404-F429 HydrophobicContact CD2-CZ 3.65Å; M417-F429 CarbonylContact C-O 3.6Å; M417-F429 VanDerWaalsContact CA-O 3.29Å; M417-F429 WeakPolarHBondContact CA-O 3.44Å; V418-F429 HydrophobicContact CB-CB 4.27Å; V418-F429 PolarHBondContact N-O 2.94Å; V418-F429 PolarHBondContact O-N 3.12Å; V420-F429 HydrophobicContact CG2-CD2 4.23Å; V420-F429 HydrophobicContact CG2-CE2 4.03Å; L427-F429 HydrophobicContact CB-CD2 4.38Å; L427-F429 HydrophobicContact CB-CE2 3.62Å; L427-F429 HydrophobicContact CB-CZ 4.25Å; L427-F429 HydrophobicContact CD1-CE2 4.27Å; L427-F429 HydrophobicContact CD1-CZ 4.29Å; F429-K433 CarbonylContact C-O 3.54Å; F429-K433 VanDerWaalsContact CA-O 3.22Å; F429-K433 WeakPolarHBondContact CA-O 3.33Å; F429-L434 HydrophobicContact CD1-CB 4.12Å; F429-L434 HydrophobicContact CD1-CD1 4.44Å; F429-L434 HydrophobicContact CE1-CB 3.79Å; F429-L434 HydrophobicContact CE1-CD1 3.99Å; F429-L434 HydrophobicContact CE1-CG 4.49Å; F429-L434 HydrophobicContact CE2-CD1 4.18Å; F429-L434 HydrophobicContact CZ-CB 4.47Å; F429-L434 HydrophobicContact CZ-CD1 3.85Å
430	K	92.3	Very high	93.6	Very high	101 Å²	101	48.6 Å²	48.6	44%	0.439	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.5	168.3	177.4	170.2	-175.5	179.6	0	107.7	N416 N432 K433 A435 L473	N416-K430 WeakPolarHBondContact O-CG 3.05Å; K430-N432 PolarHBondContact O-N 2.95Å; K430-K433 PolarHBondContact N-O 3.39Å; K430-K433 PolarHBondContact O-N 3.49Å; K430-A435 HydrophobicContact CB-CB 4.2Å; K430-L473 HydrophobicContact CB-CD1 4.24Å; K430-L473 HydrophobicContact CB-CD2 4.35Å; K430-L473 HydrophobicContact CD-CD1 3.74Å; K430-L473 HydrophobicContact CD-CD2 4.34Å
431	D	86.9	Confident	93.2	Very high	108 Å²	108	55 Å²	55	58%	0.578	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	43.6	-177.2	-55.4	-51.2	0	0	0	112.6	K433	D431-K433 PolarHBondContact O-N 3.21Å; D431-K433 VanDerWaalsContact O-N 3.13Å
432	N	85.7	Confident	93	Very high	26 Å²	26	55.9 Å²	55.9	14%	0.139	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	58	21.6	-176.7	-70.6	-30.7	0	0	0	115.1	T389 E400 I402 K430	T389-N432 PolarHBondContact OG1-OD1 2.85Å; T389-N432 VanDerWaalsContact OG1-OD1 3.09Å; E400-N432 PolarHBondContact OE2-ND2 3.5Å; I402-N432 HydrophobicContact CD1-CB 3.93Å; I402-N432 WeakPolarHBondContact CD1-O 3.34Å; K430-N432 PolarHBondContact O-N 2.95Å
433	K	92	Very high	92.9	Very high	159 Å²	159	59.8 Å²	59.8	69%	0.691	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.8	170.8	-66.3	179.5	-178.1	175.4	0	110	F429 K430 D431 A435	F429-K433 CarbonylContact C-O 3.54Å; F429-K433 VanDerWaalsContact CA-O 3.22Å; F429-K433 WeakPolarHBondContact CA-O 3.33Å; K430-K433 PolarHBondContact N-O 3.39Å; K430-K433 PolarHBondContact O-N 3.49Å; D431-K433 PolarHBondContact O-N 3.21Å; D431-K433 VanDerWaalsContact O-N 3.13Å; K433-A435 PolarHBondContact O-N 3.06Å; K433-A435 VanDerWaalsContact O-N 3.1Å
434	L	94.4	Very high	93	Very high	91 Å²	91	57.7 Å²	57.7	48%	0.476	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	115	175.2	-177.1	67.1	0	0	0	108.7	L427 F429 C436	L427-L434 HydrophobicContact CB-CD1 3.93Å; L427-L434 HydrophobicContact CD2-CD1 4.08Å; L427-L434 HydrophobicContact CG-CD1 4.47Å; F429-L434 HydrophobicContact CD1-CB 4.12Å; F429-L434 HydrophobicContact CD1-CD1 4.44Å; F429-L434 HydrophobicContact CE1-CB 3.79Å; F429-L434 HydrophobicContact CE1-CD1 3.99Å; F429-L434 HydrophobicContact CE1-CG 4.49Å; F429-L434 HydrophobicContact CE2-CD1 4.18Å; F429-L434 HydrophobicContact CZ-CB 4.47Å; F429-L434 HydrophobicContact CZ-CD1 3.85Å; L434-C436 WeakPolarHBondContact CD1-O 3.22Å
435	A	93.1	Very high	93.2	Very high	47 Å²	47	52 Å²	52	39%	0.388	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-38.2	-178.7	0	0	0	0	0	112	L428 K430 K433 L473	L428-A435 PolarHBondContact O-N 3.37Å; K430-A435 HydrophobicContact CB-CB 4.2Å; K433-A435 PolarHBondContact O-N 3.06Å; K433-A435 VanDerWaalsContact O-N 3.1Å; A435-L473 HydrophobicContact CB-CB 4.24Å; A435-L473 HydrophobicContact CB-CD1 3.65Å; A435-L473 HydrophobicContact CB-CD2 4.45Å; A435-L473 HydrophobicContact CB-CG 4.31Å
436	C	92.8	Very high	93.2	Very high	24 Å²	24	52 Å²	52	16%	0.162	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	142.8	178.3	175.4	0	0	0	0	110.5	L428 L434 L473	L428-C436 HydrophobicContact CB-CB 4.1Å; L428-C436 HydrophobicContact CD1-CB 4.08Å; L428-C436 HydrophobicContact CG-CB 4.39Å; L428-C436 PolarHBondContact N-O 2.95Å; L428-C436 PolarHBondContact O-N 2.77Å; L434-C436 WeakPolarHBondContact CD1-O 3.22Å; C436-L473 WeakPolarHBondContact CB-O 3.39Å; C436-L473 PolarHBondContact SG-O 2.84Å; C436-L473 VanDerWaalsContact SG-O 3.42Å
437	K	94.9	Very high	93.3	Very high	97 Å²	97	52 Å²	52	42%	0.422	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	110.6	169.2	169.9	-179.4	172.9	169.4	0	106.3	E405 A425 L427 P439	E405-K437 WeakPolarHBondContact OE1-CD 3.3Å; E405-K437 WeakPolarHBondContact OE1-CE 3.47Å; E405-K437 IonicContact OE1-NZ 3.56Å; E405-K437 PolarHBondContact OE1-NZ 3.25Å; E405-K437 IonicContact OE2-NZ 2.91Å; E405-K437 PolarHBondContact OE2-NZ 3.09Å; A425-K437 HydrophobicContact CB-CG 3.95Å; L427-K437 HydrophobicContact CD2-CB 3.97Å; L427-K437 HydrophobicContact CD2-CD 4.35Å; L427-K437 HydrophobicContact CD2-CG 3.79Å; K437-P439 WeakPolarHBondContact O-CD 3.1Å
438	E	93.8	Very high	93.4	Very high	64 Å²	64	52 Å²	52	30%	0.299	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	107.6	174.2	-175	63.9	-162	0	0	108.2	A425 I426 A440 L475	A425-E438 CarbonylContact C-O 3.56Å; A425-E438 VanDerWaalsContact CA-O 3.3Å; A425-E438 WeakPolarHBondContact CA-O 3.12Å; A425-E438 WeakPolarHBondContact CB-O 3.42Å; I426-E438 HydrophobicContact CB-CB 4.32Å; I426-E438 PolarHBondContact N-O 2.9Å; I426-E438 PolarHBondContact O-N 3.24Å; E438-A440 PolarHBondContact O-N 2.9Å; E438-L475 HydrophobicContact CB-CD1 3.89Å; E438-L475 HydrophobicContact CG-CB 4.32Å; E438-L475 HydrophobicContact CG-CD1 4.13Å
439	P	91.4	Very high	93.4	Very high	88 Å²	88	53.2 Å²	53.2	57%	0.571	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.1	128.4	176	-19.7	33.3	0	0	0	110.2	K437	K437-P439 WeakPolarHBondContact O-CD 3.1Å
440	A	85.1	Confident	93.4	Very high	15 Å²	15	53.3 Å²	53.3	12%	0.124	29%	0.286	C	S	.	.			trans	-102.6	118	176.4	0	0	0	0	0	108.6	K424 E438 F442	K424-A440 PolarHBondContact O-N 3.07Å; E438-A440 PolarHBondContact O-N 2.9Å; A440-F442 HydrophobicContact CB-CD1 4.25Å; A440-F442 HydrophobicContact CB-CD2 4.49Å; A440-F442 HydrophobicContact CB-CE1 4.02Å; A440-F442 HydrophobicContact CB-CE2 4.28Å; A440-F442 HydrophobicContact CB-CG 4.48Å; A440-F442 HydrophobicContact CB-CZ 4.03Å; A440-F442 WeakPolarHBondContact CB-O 3.38Å; A440-F442 PolarHBondContact O-N 2.91Å
441	P	89.7	Confident	93.5	Very high	136 Å²	136	52.3 Å²	52.3	88%	0.883	29%	0.29	S	S	*	.	S	Bend	trans	-70.8	9.8	174.5	30.2	-34.6	0	0	0	113.1
442	F	93.5	Very high	93.8	Very high	18 Å²	18	54.5 Å²	54.5	8%	0.079	30%	0.296	C	S	.	.	S	Bend	trans	-137.7	158.3	-179.7	59.6	-88.6	0	0	0	108.7	A440 A444 V458 D462 R466	A440-F442 HydrophobicContact CB-CD1 4.25Å; A440-F442 HydrophobicContact CB-CD2 4.49Å; A440-F442 HydrophobicContact CB-CE1 4.02Å; A440-F442 HydrophobicContact CB-CE2 4.28Å; A440-F442 HydrophobicContact CB-CG 4.48Å; A440-F442 HydrophobicContact CB-CZ 4.03Å; A440-F442 WeakPolarHBondContact CB-O 3.38Å; A440-F442 PolarHBondContact O-N 2.91Å; F442-A444 HydrophobicContact CE2-CB 4.14Å; F442-A444 PolarHBondContact O-N 3.09Å; F442-V458 HydrophobicContact CE2-CG1 3.92Å; F442-V458 HydrophobicContact CZ-CG1 4.14Å; F442-D462 HydrophobicContact CB-CB 4.29Å; F442-R466 VanDerWaalsContact CE1-CZ 3.44Å
443	E	95.4	Very high	94.1	Very high	81 Å²	81	54.3 Å²	54.3	38%	0.379	30%	0.3	S	S	.	.			trans	-78.8	111.7	172.4	-66.7	-168.7	-169.4	0	0	110.2	G460 Q461	E443-G460 WeakPolarHBondContact O-CA 3.46Å; E443-Q461 HydrophobicContact CB-CB 4.25Å; E443-Q461 HydrophobicContact CB-CG 3.93Å; E443-Q461 PolarHBondContact O-N 3.13Å; E443-Q461 VanDerWaalsContact OE2-CD 3.24Å; E443-Q461 PolarHBondContact OE2-NE2 2.99Å; E443-Q461 PolarHBondContact OE2-OE1 3.27Å
444	A	97.1	Very high	94.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	132	173.6	0	0	0	0	0	110.6	A421 I426 F442 V458 G459	A421-A444 HydrophobicContact CB-CB 3.9Å; I426-A444 HydrophobicContact CD1-CB 3.53Å; F442-A444 HydrophobicContact CE2-CB 4.14Å; F442-A444 PolarHBondContact O-N 3.09Å; A444-V458 HydrophobicContact CB-CG1 3.95Å; A444-G459 WeakPolarHBondContact CA-O 3.41Å
445	T	97.7	Very high	94.3	Very high	23 Å²	23	46.6 Å²	46.6	14%	0.141	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-31.2	-177.8	51.2	0	0	0	0	112.8	G459 Q461 V487	T445-G459 PolarHBondContact N-O 2.79Å; T445-G459 PolarHBondContact OG1-O 3.16Å; T445-Q461 HydrophobicContact CG2-CB 4.46Å; T445-Q461 HydrophobicContact CG2-CG 3.44Å; T445-Q461 VanDerWaalsContact CG2-CG 3.44Å; T445-V487 VanDerWaalsContact CB-O 3.25Å; T445-V487 WeakPolarHBondContact CB-O 3.45Å; T445-V487 WeakPolarHBondContact CG2-O 3.37Å; T445-V487 PolarHBondContact OG1-O 2.94Å
446	C	98	Very high	94.5	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	155.8	-176.3	54.5	0	0	0	0	112.3	D410 G459 C489 V490	D410-C446 HydrophobicContact CB-CB 4.31Å; D410-C446 WeakPolarHBondContact OD2-CA 3.43Å; D410-C446 WeakPolarHBondContact OD2-CB 3.42Å; C446-G459 PolarHBondContact O-N 2.82Å; C446-C489 VanDerWaalsContact SG-C 3.51Å; C446-C489 WeakPolarHBondContact SG-CA 3.46Å; C446-V490 HydrophobicContact CB-CG2 4.29Å; C446-V490 PolarHBondContact SG-N 2.9Å
447	V	98	Very high	94.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.6	177	-80.3	0	0	0	0	111.4	D410 I412 A421 I426 A457 V458 R491	D410-V447 HydrophobicContact CB-CG2 3.98Å; D410-V447 PolarHBondContact OD2-N 2.53Å; D410-V447 VanDerWaalsContact OD2-O 3.14Å; I412-V447 HydrophobicContact CB-CG2 4.38Å; I412-V447 HydrophobicContact CG2-CB 4.09Å; I412-V447 HydrophobicContact CG2-CG2 3.87Å; A421-V447 HydrophobicContact CB-CG1 3.7Å; A421-V447 HydrophobicContact CB-CG2 4.2Å; I426-V447 HydrophobicContact CD1-CG1 4.25Å; V447-A457 CarbonylContact C-O 3.53Å; V447-A457 WeakPolarHBondContact CA-O 3.5Å; V447-V458 HydrophobicContact CG1-CG2 4.17Å; V447-R491 PolarHBondContact O-NH1 2.64Å
448	A	97.9	Very high	94.9	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.017	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	141.5	168.2	0	0	0	0	0	110.7	L456 A457 V490 F492	A448-L456 CarbonylContact O-C 3.54Å; A448-L456 WeakPolarHBondContact O-CA 3.46Å; A448-L456 WeakPolarHBondContact O-CD1 3.4Å; A448-A457 HydrophobicContact CB-CB 4.43Å; A448-A457 PolarHBondContact N-O 3.41Å; A448-A457 PolarHBondContact O-N 2.81Å; A448-V490 HydrophobicContact CB-CG2 3.98Å; A448-V490 WeakPolarHBondContact CB-O 3.3Å; A448-F492 HydrophobicContact CB-CD2 3.77Å; A448-F492 HydrophobicContact CB-CE2 4.15Å; A448-F492 WeakPolarHBondContact O-CE2 3.29Å
449	L	96.2	Very high	95.2	Very high	28 Å²	28	35.5 Å²	35.5	15%	0.147	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.6	173.8	-170.6	72.3	0	0	0	108.1	I412 M417 L456 F492	I412-L449 HydrophobicContact CG1-CB 4.04Å; I412-L449 HydrophobicContact CG2-CB 3.99Å; M417-L449 HydrophobicContact CE-CD1 3.7Å; M417-L449 HydrophobicContact CE-CD2 3.6Å; M417-L449 HydrophobicContact CE-CG 4.32Å; M417-L449 HydrophobicContact SD-CD1 4.36Å; M417-L449 HydrophobicContact SD-CD2 4.45Å; L449-L456 HydrophobicContact CB-CD1 4.41Å; L449-L456 HydrophobicContact CD1-CD1 4.06Å; L449-F492 VanDerWaalsContact C-CD2 3.43Å; L449-F492 WeakPolarHBondContact O-CD2 3.38Å
450	N	95.9	Very high	95.5	Very high	9 Å²	9	31.3 Å²	31.3	5%	0.048	18%	0.179	C	C	.	.			trans	-73.7	163.1	175.7	80.9	-42.4	0	0	0	111.1	E452 G453 N454 L455 F492	N450-E452 PolarHBondContact O-N 3.41Å; N450-E452 VanDerWaalsContact O-N 3.17Å; N450-G453 PolarHBondContact O-N 3.08Å; N450-G453 PolarHBondContact OD1-N 2.84Å; N450-G453 VanDerWaalsContact OD1-N 3.08Å; N450-N454 VanDerWaalsContact CG-OD1 3.29Å; N450-N454 PolarHBondContact ND2-OD1 2.75Å; N450-N454 PolarHBondContact OD1-N 2.85Å; N450-N454 PolarHBondContact OD1-OD1 2.84Å; N450-N454 VanDerWaalsContact OD1-OD1 3.1Å; N450-L455 HydrophobicContact CB-CB 4.1Å; N450-L455 PolarHBondContact N-O 3.25Å; N450-L455 PolarHBondContact OD1-N 2.67Å; N450-L455 PolarHBondContact OD1-O 3.5Å; N450-F492 HydrophobicContact CB-CD1 3.95Å; N450-F492 HydrophobicContact CB-CD2 3.93Å; N450-F492 HydrophobicContact CB-CE1 3.95Å; N450-F492 HydrophobicContact CB-CE2 3.92Å; N450-F492 HydrophobicContact CB-CG 3.94Å; N450-F492 HydrophobicContact CB-CZ 3.93Å
451	P	93.8	Very high	96	Very high	81 Å²	81	34.4 Å²	34.4	53%	0.526	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.2	-177	-25.4	34	0	0	0	114.7	G453 P494	P451-G453 VanDerWaalsContact C-N 3.32Å; P451-P494 WeakPolarHBondContact CG-O 3.45Å
452	E	92.7	Very high	96.4	Very high	153 Å²	153	30.8 Å²	30.8	72%	0.715	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.1	178.4	-59.3	-178.9	169	0	0	113.3	N450 N454	N450-E452 PolarHBondContact O-N 3.41Å; N450-E452 VanDerWaalsContact O-N 3.17Å; E452-N454 VanDerWaalsContact C-N 3.29Å; E452-N454 PolarHBondContact O-N 2.98Å; E452-N454 PolarHBondContact OE2-ND2 2.62Å
453	G	92.7	Very high	96.6	Very high	22 Å²	22	31.4 Å²	31.4	23%	0.227	17%	0.171	C	C	.	.	S	Bend	trans	72.8	13.6	179.6	0	0	0	0	0	115.4	N450 P451	N450-G453 PolarHBondContact O-N 3.08Å; N450-G453 PolarHBondContact OD1-N 2.84Å; N450-G453 VanDerWaalsContact OD1-N 3.08Å; P451-G453 VanDerWaalsContact C-N 3.32Å
454	N	94.5	Very high	96.7	Very high	62 Å²	62	30.1 Å²	30.1	33%	0.332	16%	0.164	S	C	.	.	S	Bend	trans	-104.5	-10.3	-178.7	62.1	-8.4	0	0	0	113.8	N450 E452 L470	N450-N454 VanDerWaalsContact CG-OD1 3.29Å; N450-N454 PolarHBondContact ND2-OD1 2.75Å; N450-N454 PolarHBondContact OD1-N 2.85Å; N450-N454 PolarHBondContact OD1-OD1 2.84Å; N450-N454 VanDerWaalsContact OD1-OD1 3.1Å; E452-N454 VanDerWaalsContact C-N 3.29Å; E452-N454 PolarHBondContact O-N 2.98Å; E452-N454 PolarHBondContact OE2-ND2 2.62Å; N454-L470 PolarHBondContact O-N 2.92Å
455	L	96.7	Very high	96.8	Very high	26 Å²	26	30.1 Å²	30.1	14%	0.136	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.8	178.2	-62.7	176.2	0	0	0	111	N450 L467 Y468 L478 F492 V513	N450-L455 HydrophobicContact CB-CB 4.1Å; N450-L455 PolarHBondContact N-O 3.25Å; N450-L455 PolarHBondContact OD1-N 2.67Å; N450-L455 PolarHBondContact OD1-O 3.5Å; L455-L467 HydrophobicContact CB-CD1 4.18Å; L455-Y468 WeakPolarHBondContact CA-O 3.35Å; L455-L478 HydrophobicContact CD2-CD1 3.68Å; L455-F492 HydrophobicContact CB-CZ 4.21Å; L455-V513 HydrophobicContact CD1-CG1 3.7Å
456	L	97.3	Very high	96.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.7	174.1	-170.2	78.6	0	0	0	109.7	I412 A419 I426 L428 A448 L449 V458 Y468 L475	I412-L456 HydrophobicContact CG2-CD1 4.23Å; A419-L456 HydrophobicContact CB-CD1 3.69Å; A419-L456 HydrophobicContact CB-CD2 4.26Å; I426-L456 HydrophobicContact CG2-CD2 3.87Å; L428-L456 HydrophobicContact CD2-CD2 4.39Å; A448-L456 CarbonylContact O-C 3.54Å; A448-L456 WeakPolarHBondContact O-CA 3.46Å; A448-L456 WeakPolarHBondContact O-CD1 3.4Å; L449-L456 HydrophobicContact CB-CD1 4.41Å; L449-L456 HydrophobicContact CD1-CD1 4.06Å; L456-V458 HydrophobicContact CD2-CG2 4.16Å; L456-V458 HydrophobicContact CG-CG2 4.39Å; L456-Y468 PolarHBondContact N-O 2.82Å; L456-Y468 PolarHBondContact O-N 3.16Å; L456-L475 HydrophobicContact CB-CD2 4.09Å; L456-L475 HydrophobicContact CD2-CD1 3.93Å; L456-L475 HydrophobicContact CD2-CD2 3.81Å
457	A	98.2	Very high	96.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	136.9	170.5	0	0	0	0	0	110.2	V447 A448 R466 L467 V490 F492 L499	V447-A457 CarbonylContact C-O 3.53Å; V447-A457 WeakPolarHBondContact CA-O 3.5Å; A448-A457 HydrophobicContact CB-CB 4.43Å; A448-A457 PolarHBondContact N-O 3.41Å; A448-A457 PolarHBondContact O-N 2.81Å; A457-R466 CarbonylContact C-O 3.57Å; A457-R466 VanDerWaalsContact CA-O 3.32Å; A457-R466 WeakPolarHBondContact CA-O 3.48Å; A457-L467 HydrophobicContact CB-CD1 4.35Å; A457-V490 HydrophobicContact CB-CG2 4.31Å; A457-F492 HydrophobicContact CB-CE2 3.76Å; A457-F492 HydrophobicContact CB-CZ 3.94Å; A457-L499 HydrophobicContact CB-CD1 3.68Å; A457-L499 HydrophobicContact CB-CD2 3.74Å; A457-L499 HydrophobicContact CB-CG 4.38Å
458	V	98.3	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.8	178.8	-175.4	0	0	0	0	109.3	I426 F442 A444 V447 L456 V465 R466 Y468	I426-V458 HydrophobicContact CD1-CG1 3.78Å; I426-V458 HydrophobicContact CD1-CG2 4.25Å; I426-V458 HydrophobicContact CG1-CG1 4.37Å; I426-V458 HydrophobicContact CG1-CG2 4.26Å; F442-V458 HydrophobicContact CE2-CG1 3.92Å; F442-V458 HydrophobicContact CZ-CG1 4.14Å; A444-V458 HydrophobicContact CB-CG1 3.95Å; V447-V458 HydrophobicContact CG1-CG2 4.17Å; L456-V458 HydrophobicContact CD2-CG2 4.16Å; L456-V458 HydrophobicContact CG-CG2 4.39Å; V458-V465 WeakPolarHBondContact O-CA 3.19Å; V458-R466 PolarHBondContact N-O 2.81Å; V458-R466 PolarHBondContact O-N 2.84Å; V458-Y468 HydrophobicContact CB-CD2 4.47Å; V458-Y468 HydrophobicContact CB-CE2 3.97Å; V458-Y468 HydrophobicContact CG2-CD2 3.8Å; V458-Y468 HydrophobicContact CG2-CE2 3.61Å
459	G	98.2	Very high	96.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	142.5	168.6	0	0	0	0	0	111.1	A444 T445 C446	A444-G459 WeakPolarHBondContact CA-O 3.41Å; T445-G459 PolarHBondContact N-O 2.79Å; T445-G459 PolarHBondContact OG1-O 3.16Å; C446-G459 PolarHBondContact O-N 2.82Å
460	G	97.7	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	156.7	-179.8	0	0	0	0	0	114.1	E443 D462 S463 K464 V487	E443-G460 WeakPolarHBondContact O-CA 3.46Å; G460-D462 WeakPolarHBondContact CA-OD1 3.37Å; G460-D462 PolarHBondContact O-N 2.85Å; G460-S463 PolarHBondContact O-N 2.92Å; G460-K464 PolarHBondContact N-O 2.99Å; G460-V487 PolarHBondContact O-N 3.29Å; G460-V487 VanDerWaalsContact O-N 3.13Å
461	Q	97.1	Very high	96.2	Very high	79 Å²	79	37.7 Å²	37.7	37%	0.369	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.5	170.7	-69.9	-168.8	13	0	0	113.4	E443 T445 S463 S486	E443-Q461 HydrophobicContact CB-CB 4.25Å; E443-Q461 HydrophobicContact CB-CG 3.93Å; E443-Q461 PolarHBondContact O-N 3.13Å; E443-Q461 VanDerWaalsContact OE2-CD 3.24Å; E443-Q461 PolarHBondContact OE2-NE2 2.99Å; E443-Q461 PolarHBondContact OE2-OE1 3.27Å; T445-Q461 HydrophobicContact CG2-CB 4.46Å; T445-Q461 HydrophobicContact CG2-CG 3.44Å; T445-Q461 VanDerWaalsContact CG2-CG 3.44Å; Q461-S463 PolarHBondContact O-N 2.84Å; Q461-S463 VanDerWaalsContact O-N 3.11Å; Q461-S486 WeakPolarHBondContact CA-OG 3.36Å
462	D	97.4	Very high	95.9	Very high	61 Å²	61	41.7 Å²	41.7	33%	0.326	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	16	175	69.1	-29.9	0	0	0	113.5	F442 G460 K464 R466	F442-D462 HydrophobicContact CB-CB 4.29Å; G460-D462 WeakPolarHBondContact CA-OD1 3.37Å; G460-D462 PolarHBondContact O-N 2.85Å; D462-K464 VanDerWaalsContact C-N 3.29Å; D462-K464 PolarHBondContact O-N 3.01Å; D462-R466 IonicContact OD1-NH1 2.87Å; D462-R466 PolarHBondContact OD1-NH1 3.49Å; D462-R466 VanDerWaalsContact OD1-NH1 3.08Å; D462-R466 IonicContact OD2-CZ 2.75Å; D462-R466 VanDerWaalsContact OD2-CZ 3.26Å; D462-R466 IonicContact OD2-NH1 3.99Å; D462-R466 PolarHBondContact OD2-NH1 3.49Å; D462-R466 IonicContact OD2-NH2 3.88Å; D462-R466 PolarHBondContact OD2-NH2 3.42Å
463	S	98.1	Very high	95.4	Very high	31 Å²	31	36.9 Å²	36.9	22%	0.217	19%	0.19	C	C	.	.	S	Bend	trans	62.9	32	176.9	-44.6	0	0	0	0	113.5	G460 Q461 H483 G485 S486	G460-S463 PolarHBondContact O-N 2.92Å; Q461-S463 PolarHBondContact O-N 2.84Å; Q461-S463 VanDerWaalsContact O-N 3.11Å; S463-H483 PolarHBondContact O-N 3.08Å; S463-G485 WeakPolarHBondContact CA-O 3.4Å; S463-G485 VanDerWaalsContact CB-C 3.45Å; S463-G485 VanDerWaalsContact CB-O 3.28Å; S463-G485 WeakPolarHBondContact CB-O 2.87Å; S463-G485 VanDerWaalsContact OG-CA 3.29Å; S463-G485 WeakPolarHBondContact OG-CA 3.37Å; S463-G485 PolarHBondContact OG-O 2.65Å; S463-S486 PolarHBondContact OG-N 3.01Å
464	K	98.1	Very high	95.2	Very high	53 Å²	53	37.9 Å²	37.9	23%	0.23	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143	178.4	-70	-175.2	175.4	-165.1	0	112.2	G460 D462 E480 A481	G460-K464 PolarHBondContact N-O 2.99Å; D462-K464 VanDerWaalsContact C-N 3.29Å; D462-K464 PolarHBondContact O-N 3.01Å; K464-E480 VanDerWaalsContact NZ-CD 3.32Å; K464-E480 IonicContact NZ-OE1 2.68Å; K464-E480 PolarHBondContact NZ-OE1 2.66Å; K464-E480 IonicContact NZ-OE2 3.49Å; K464-E480 PolarHBondContact NZ-OE2 2.65Å; K464-A481 WeakPolarHBondContact CA-O 3.34Å
465	V	98.3	Very high	95.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.3	163.7	176.7	0	0	0	0	107.5	V458 E480 A481 H483 V487 V490 L499 A501	V458-V465 WeakPolarHBondContact O-CA 3.19Å; V465-E480 CarbonylContact O-C 3.54Å; V465-E480 VanDerWaalsContact O-CA 3.28Å; V465-E480 WeakPolarHBondContact O-CA 3.33Å; V465-A481 PolarHBondContact N-O 2.87Å; V465-A481 PolarHBondContact O-N 3.21Å; V465-H483 WeakPolarHBondContact CG2-NE2 3.43Å; V465-V487 HydrophobicContact CG2-CG1 4.08Å; V465-V487 HydrophobicContact CG2-CG2 3.83Å; V465-V490 HydrophobicContact CG1-CG1 4.3Å; V465-V490 HydrophobicContact CG2-CG1 4.1Å; V465-L499 HydrophobicContact CG1-CD2 3.74Å; V465-A501 HydrophobicContact CG2-CB 3.73Å
466	R	98.1	Very high	95.1	Very high	22 Å²	22	38.5 Å²	38.5	8%	0.083	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.4	-179.2	-68.2	177.7	176.6	85.9	-2.9	109.8	F442 A457 V458 D462 Y468 L477 E480	F442-R466 VanDerWaalsContact CE1-CZ 3.44Å; A457-R466 CarbonylContact C-O 3.57Å; A457-R466 VanDerWaalsContact CA-O 3.32Å; A457-R466 WeakPolarHBondContact CA-O 3.48Å; V458-R466 PolarHBondContact N-O 2.81Å; V458-R466 PolarHBondContact O-N 2.84Å; D462-R466 IonicContact OD1-NH1 2.87Å; D462-R466 PolarHBondContact OD1-NH1 3.49Å; D462-R466 VanDerWaalsContact OD1-NH1 3.08Å; D462-R466 IonicContact OD2-CZ 2.75Å; D462-R466 VanDerWaalsContact OD2-CZ 3.26Å; D462-R466 IonicContact OD2-NH1 3.99Å; D462-R466 PolarHBondContact OD2-NH1 3.49Å; D462-R466 IonicContact OD2-NH2 3.88Å; D462-R466 PolarHBondContact OD2-NH2 3.42Å; R466-Y468 HydrophobicContact CB-CD2 4.18Å; R466-Y468 HydrophobicContact CB-CE2 3.44Å; R466-Y468 VanDerWaalsContact CB-CE2 3.44Å; R466-Y468 VanDerWaalsContact CD-OH 3.29Å; R466-Y468 WeakPolarHBondContact CD-OH 3.36Å; R466-Y468 HydrophobicContact CG-CE2 4.49Å; R466-L477 HydrophobicContact CB-CD1 3.76Å; R466-L477 HydrophobicContact CG-CD1 4.05Å; R466-E480 HydrophobicContact CG-CB 4.16Å
467	L	98	Very high	95.1	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.3	175.4	-172.3	68.3	0	0	0	108.8	L455 A457 L478 K479 F492 V513 L516	L455-L467 HydrophobicContact CB-CD1 4.18Å; A457-L467 HydrophobicContact CB-CD1 4.35Å; L467-L478 WeakPolarHBondContact O-CB 3.33Å; L467-L478 PolarHBondContact O-N 2.95Å; L467-K479 PolarHBondContact N-O 3.44Å; L467-K479 PolarHBondContact O-N 2.95Å; L467-F492 HydrophobicContact CD1-CE1 4.28Å; L467-F492 HydrophobicContact CD1-CZ 3.69Å; L467-V513 HydrophobicContact CD2-CG1 4.17Å; L467-L516 HydrophobicContact CB-CD1 4.39Å; L467-L516 HydrophobicContact CB-CD2 4.28Å
468	Y	96.7	Very high	95	Very high	17 Å²	17	46.8 Å²	46.8	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.6	178.4	-63.3	-97	0	0	0	110.3	L455 L456 V458 R466 L475 H476 L477	L455-Y468 WeakPolarHBondContact CA-O 3.35Å; L456-Y468 PolarHBondContact N-O 2.82Å; L456-Y468 PolarHBondContact O-N 3.16Å; V458-Y468 HydrophobicContact CB-CD2 4.47Å; V458-Y468 HydrophobicContact CB-CE2 3.97Å; V458-Y468 HydrophobicContact CG2-CD2 3.8Å; V458-Y468 HydrophobicContact CG2-CE2 3.61Å; R466-Y468 HydrophobicContact CB-CD2 4.18Å; R466-Y468 HydrophobicContact CB-CE2 3.44Å; R466-Y468 VanDerWaalsContact CB-CE2 3.44Å; R466-Y468 VanDerWaalsContact CD-OH 3.29Å; R466-Y468 WeakPolarHBondContact CD-OH 3.36Å; R466-Y468 HydrophobicContact CG-CE2 4.49Å; Y468-L475 HydrophobicContact CD1-CB 3.82Å; Y468-L475 HydrophobicContact CG-CB 4.24Å; Y468-H476 CarbonylContact C-O 3.57Å; Y468-H476 VanDerWaalsContact CA-O 3.25Å; Y468-H476 WeakPolarHBondContact CA-O 3.22Å; Y468-L477 HydrophobicContact CD1-CB 4.04Å; Y468-L477 HydrophobicContact CD1-CD1 4.35Å; Y468-L477 HydrophobicContact CE1-CB 3.87Å; Y468-L477 HydrophobicContact CE1-CD1 4.04Å; Y468-L477 HydrophobicContact CE2-CD1 4.31Å
469	E	96.4	Very high	95	Very high	54 Å²	54	50.8 Å²	50.8	25%	0.252	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	129.9	161	-161.3	176.4	-140.3	0	0	109	K471 H476 L478	E469-K471 HydrophobicContact CG-CD 4.26Å; E469-K471 HydrophobicContact CG-CG 4.16Å; E469-K471 WeakPolarHBondContact OE1-CE 3.4Å; E469-K471 IonicContact OE1-NZ 2.84Å; E469-K471 PolarHBondContact OE1-NZ 3.07Å; E469-K471 WeakPolarHBondContact OE2-CD 3.44Å; E469-K471 WeakPolarHBondContact OE2-CE 3.28Å; E469-K471 IonicContact OE2-NZ 3.57Å; E469-K471 PolarHBondContact OE2-NZ 2.82Å; E469-H476 HydrophobicContact CB-CB 4.43Å; E469-H476 PolarHBondContact N-O 3.21Å; E469-H476 PolarHBondContact O-N 3.43Å; E469-L478 HydrophobicContact CB-CD1 3.84Å; E469-L478 HydrophobicContact CB-CD2 3.92Å; E469-L478 HydrophobicContact CB-CG 3.82Å
470	L	93.5	Very high	94.9	Very high	19 Å²	19	55.1 Å²	55.1	10%	0.099	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	106.3	173	-176.8	69.6	0	0	0	109.1	M417 L428 N454 L475	M417-L470 HydrophobicContact CE-CD2 3.14Å; M417-L470 HydrophobicContact CG-CD2 4.37Å; M417-L470 HydrophobicContact SD-CD2 3.46Å; M417-L470 WeakPolarHBondContact SD-CD2 3.25Å; L428-L470 HydrophobicContact CD1-CD1 3.42Å; L428-L470 VanDerWaalsContact CD1-CD1 3.42Å; N454-L470 PolarHBondContact O-N 2.92Å; L470-L475 HydrophobicContact CB-CD2 4.38Å; L470-L475 HydrophobicContact CD1-CD2 3.71Å; L470-L475 HydrophobicContact CD1-CG 4.47Å
471	K	89.4	Confident	94.9	Very high	107 Å²	107	55.7 Å²	55.7	47%	0.465	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.8	174.7	-81.5	177.2	177.2	154.3	0	109.1	E469 L473 S474	E469-K471 HydrophobicContact CG-CD 4.26Å; E469-K471 HydrophobicContact CG-CG 4.16Å; E469-K471 WeakPolarHBondContact OE1-CE 3.4Å; E469-K471 IonicContact OE1-NZ 2.84Å; E469-K471 PolarHBondContact OE1-NZ 3.07Å; E469-K471 WeakPolarHBondContact OE2-CD 3.44Å; E469-K471 WeakPolarHBondContact OE2-CE 3.28Å; E469-K471 IonicContact OE2-NZ 3.57Å; E469-K471 PolarHBondContact OE2-NZ 2.82Å; K471-L473 PolarHBondContact O-N 2.96Å; K471-L473 VanDerWaalsContact O-N 3.08Å; K471-S474 PolarHBondContact N-O 2.79Å; K471-S474 VanDerWaalsContact N-O 3.15Å; K471-S474 PolarHBondContact O-N 3.11Å; K471-S474 PolarHBondContact O-OG 2.97Å
472	N	85.6	Confident	94.9	Very high	165 Å²	165	56.2 Å²	56.2	88%	0.882	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	37.8	176.6	-60.6	-27.2	0	0	0	114.2	S474	N472-S474 PolarHBondContact O-N 3.41Å
473	L	82.9	Confident	94.9	Very high	53 Å²	53	54 Å²	54	28%	0.277	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	17.9	-178.2	-51.1	165.9	0	0	0	114.3	M417 K430 A435 C436 K471	M417-L473 HydrophobicContact CG-CD2 4.37Å; K430-L473 HydrophobicContact CB-CD1 4.24Å; K430-L473 HydrophobicContact CB-CD2 4.35Å; K430-L473 HydrophobicContact CD-CD1 3.74Å; K430-L473 HydrophobicContact CD-CD2 4.34Å; A435-L473 HydrophobicContact CB-CB 4.24Å; A435-L473 HydrophobicContact CB-CD1 3.65Å; A435-L473 HydrophobicContact CB-CD2 4.45Å; A435-L473 HydrophobicContact CB-CG 4.31Å; C436-L473 WeakPolarHBondContact CB-O 3.39Å; C436-L473 PolarHBondContact SG-O 2.84Å; C436-L473 VanDerWaalsContact SG-O 3.42Å; K471-L473 PolarHBondContact O-N 2.96Å; K471-L473 VanDerWaalsContact O-N 3.08Å
474	S	89.7	Confident	94.7	Very high	42 Å²	42	58.6 Å²	58.6	29%	0.294	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	146.3	166.9	57.6	0	0	0	0	111.3	K471 N472 H476	K471-S474 PolarHBondContact N-O 2.79Å; K471-S474 VanDerWaalsContact N-O 3.15Å; K471-S474 PolarHBondContact O-N 3.11Å; K471-S474 PolarHBondContact O-OG 2.97Å; N472-S474 PolarHBondContact O-N 3.41Å; S474-H476 PolarHBondContact OG-NE2 3.3Å
475	L	94.3	Very high	94.7	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.042	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.7	176.8	-66.1	176	0	0	0	109.8	I426 L428 E438 L456 Y468 L470	I426-L475 HydrophobicContact CB-CD1 4.16Å; I426-L475 HydrophobicContact CG2-CD1 3.85Å; L428-L475 HydrophobicContact CD1-CD1 4.31Å; L428-L475 HydrophobicContact CD1-CD2 4.12Å; L428-L475 HydrophobicContact CD1-CG 3.92Å; E438-L475 HydrophobicContact CB-CD1 3.89Å; E438-L475 HydrophobicContact CG-CB 4.32Å; E438-L475 HydrophobicContact CG-CD1 4.13Å; L456-L475 HydrophobicContact CB-CD2 4.09Å; L456-L475 HydrophobicContact CD2-CD1 3.93Å; L456-L475 HydrophobicContact CD2-CD2 3.81Å; Y468-L475 HydrophobicContact CD1-CB 3.82Å; Y468-L475 HydrophobicContact CG-CB 4.24Å; L470-L475 HydrophobicContact CB-CD2 4.38Å; L470-L475 HydrophobicContact CD1-CD2 3.71Å; L470-L475 HydrophobicContact CD1-CG 4.47Å
476	H	94.8	Very high	94.7	Very high	93 Å²	93	57.8 Å²	57.8	43%	0.431	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116.7	173.9	-63	-67.1	0	0	0	109.4	Y468 E469 S474 L478	Y468-H476 CarbonylContact C-O 3.57Å; Y468-H476 VanDerWaalsContact CA-O 3.25Å; Y468-H476 WeakPolarHBondContact CA-O 3.22Å; E469-H476 HydrophobicContact CB-CB 4.43Å; E469-H476 PolarHBondContact N-O 3.21Å; E469-H476 PolarHBondContact O-N 3.43Å; S474-H476 PolarHBondContact OG-NE2 3.3Å; H476-L478 PolarHBondContact O-N 2.89Å; H476-L478 VanDerWaalsContact O-N 3.16Å
477	L	95.8	Very high	94.7	Very high	89 Å²	89	56.8 Å²	56.8	47%	0.466	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	118.6	179.1	-179	66.3	0	0	0	109.8	R466 Y468 K479	R466-L477 HydrophobicContact CB-CD1 3.76Å; R466-L477 HydrophobicContact CG-CD1 4.05Å; Y468-L477 HydrophobicContact CD1-CB 4.04Å; Y468-L477 HydrophobicContact CD1-CD1 4.35Å; Y468-L477 HydrophobicContact CE1-CB 3.87Å; Y468-L477 HydrophobicContact CE1-CD1 4.04Å; Y468-L477 HydrophobicContact CE2-CD1 4.31Å; L477-K479 WeakPolarHBondContact CD1-O 3.26Å
478	L	96.8	Very high	94.7	Very high	86 Å²	86	57.5 Å²	57.5	45%	0.45	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-51.7	174.8	-66.2	177.7	0	0	0	110.8	L455 L467 E469 H476	L455-L478 HydrophobicContact CD2-CD1 3.68Å; L467-L478 WeakPolarHBondContact O-CB 3.33Å; L467-L478 PolarHBondContact O-N 2.95Å; E469-L478 HydrophobicContact CB-CD1 3.84Å; E469-L478 HydrophobicContact CB-CD2 3.92Å; E469-L478 HydrophobicContact CB-CG 3.82Å; H476-L478 PolarHBondContact O-N 2.89Å; H476-L478 VanDerWaalsContact O-N 3.16Å
479	K	97.1	Very high	94.8	Very high	83 Å²	83	57 Å²	57	36%	0.361	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156.5	-170.4	-64	-173.2	176.6	-171	0	111.2	L467 L477 P514 S515 L516	L467-K479 PolarHBondContact N-O 3.44Å; L467-K479 PolarHBondContact O-N 2.95Å; L477-K479 WeakPolarHBondContact CD1-O 3.26Å; K479-P514 PolarHBondContact NZ-O 2.89Å; K479-S515 WeakPolarHBondContact CD-O 3.29Å; K479-S515 PolarHBondContact NZ-O 2.86Å; K479-L516 HydrophobicContact CB-CB 4.11Å; K479-L516 HydrophobicContact CB-CD2 3.71Å; K479-L516 HydrophobicContact CD-CB 4.05Å
480	E	97.4	Very high	94.9	Very high	92 Å²	92	54.5 Å²	54.5	43%	0.43	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	146.1	169.5	60.3	171.3	-142.2	0	0	111	K464 V465 R466	K464-E480 VanDerWaalsContact NZ-CD 3.32Å; K464-E480 IonicContact NZ-OE1 2.68Å; K464-E480 PolarHBondContact NZ-OE1 2.66Å; K464-E480 IonicContact NZ-OE2 3.49Å; K464-E480 PolarHBondContact NZ-OE2 2.65Å; V465-E480 CarbonylContact O-C 3.54Å; V465-E480 VanDerWaalsContact O-CA 3.28Å; V465-E480 WeakPolarHBondContact O-CA 3.33Å; R466-E480 HydrophobicContact CG-CB 4.16Å
481	A	97.6	Very high	95.1	Very high	12 Å²	12	56.3 Å²	56.3	10%	0.099	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.6	173.3	0	0	0	0	0	109.5	K464 V465 Y511 L516	K464-A481 WeakPolarHBondContact CA-O 3.34Å; V465-A481 PolarHBondContact N-O 2.87Å; V465-A481 PolarHBondContact O-N 3.21Å; A481-Y511 HydrophobicContact CB-CD1 4.44Å; A481-Y511 HydrophobicContact CB-CE1 3.84Å; A481-L516 HydrophobicContact CB-CD2 3.87Å; A481-L516 HydrophobicContact CB-CG 3.92Å
482	S	97	Very high	95.6	Very high	90 Å²	90	52.1 Å²	52.1	63%	0.629	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	137	178.4	-60	0	0	0	0	110.9
483	H	96.3	Very high	96.1	Very high	15 Å²	15	44.3 Å²	44.3	7%	0.069	23%	0.233	C	C	.	.			trans	-104	168	169.2	-88.9	-106.8	0	0	0	110.6	S463 V465 G485 V487 A501 D503 Y511	S463-H483 PolarHBondContact O-N 3.08Å; V465-H483 WeakPolarHBondContact CG2-NE2 3.43Å; H483-G485 VanDerWaalsContact C-N 3.31Å; H483-G485 WeakPolarHBondContact CB-O 3.43Å; H483-V487 HydrophobicContact CB-CG2 4.18Å; H483-A501 WeakPolarHBondContact NE2-CB 3.44Å; H483-D503 HydrophobicContact CB-CB 4.46Å; H483-D503 IonicContact CG-OD2 2.84Å; H483-D503 IonicContact ND1-OD2 3.87Å; H483-D503 PolarHBondContact ND1-OD2 3Å; H483-Y511 PolarHBondContact CD2-OH 2.79Å; H483-Y511 VanDerWaalsContact CD2-OH 3.31Å; H483-Y511 AromaticContact NE2-CE2 3.38Å; H483-Y511 WeakPolarHBondContact NE2-CE2 3.43Å; H483-Y511 AromaticContact NE2-CZ 3.64Å; H483-Y511 PolarHBondContact NE2-OH 3.04Å
484	H	95.2	Very high	96.8	Very high	127 Å²	127	44.5 Å²	44.5	59%	0.588	24%	0.237	S	C	*	.	S	Bend	trans	-80.2	-15.5	178.9	-70.8	76.8	0	0	0	113	T505 R507	H484-T505 HydrophobicContact CB-CG2 4.15Å; H484-T505 WeakPolarHBondContact CB-OG1 3.49Å; H484-R507 VanDerWaalsContact CE1-CZ 3.48Å; H484-R507 PolarHBondContact CE1-NH2 3.19Å; H484-R507 PolarHBondContact ND1-NE 2.99Å; H484-R507 PolarHBondContact NE2-NH2 3.06Å
485	G	97.4	Very high	97.1	Very high	8 Å²	8	46.3 Å²	46.3	8%	0.082	24%	0.244	C	C	.	.	S	Bend	trans	-157.8	-176	171.8	0	0	0	0	0	111.8	S463 H483 V487	S463-G485 WeakPolarHBondContact CA-O 3.4Å; S463-G485 VanDerWaalsContact CB-C 3.45Å; S463-G485 VanDerWaalsContact CB-O 3.28Å; S463-G485 WeakPolarHBondContact CB-O 2.87Å; S463-G485 VanDerWaalsContact OG-CA 3.29Å; S463-G485 WeakPolarHBondContact OG-CA 3.37Å; S463-G485 PolarHBondContact OG-O 2.65Å; H483-G485 VanDerWaalsContact C-N 3.31Å; H483-G485 WeakPolarHBondContact CB-O 3.43Å; G485-V487 PolarHBondContact O-N 2.88Å
486	S	98	Very high	97.3	Very high	28 Å²	28	46.6 Å²	46.6	20%	0.196	25%	0.249	C	C	.	.			trans	-50.1	125.4	-180	170.3	0	0	0	0	110.8	Q461 S463 D503 T504	Q461-S486 WeakPolarHBondContact CA-OG 3.36Å; S463-S486 PolarHBondContact OG-N 3.01Å; S486-D503 VanDerWaalsContact O-CA 3.32Å; S486-D503 WeakPolarHBondContact O-CA 3.41Å; S486-D503 WeakPolarHBondContact O-CB 3.38Å; S486-T504 PolarHBondContact N-OG1 2.94Å; S486-T504 VanDerWaalsContact N-OG1 3.13Å; S486-T504 PolarHBondContact O-N 2.96Å; S486-T504 PolarHBondContact O-OG1 2.93Å
487	V	98.6	Very high	97.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.2	-179.8	-179	0	0	0	0	108.1	T445 G460 V465 H483 G485 V490 S502	T445-V487 VanDerWaalsContact CB-O 3.25Å; T445-V487 WeakPolarHBondContact CB-O 3.45Å; T445-V487 WeakPolarHBondContact CG2-O 3.37Å; T445-V487 PolarHBondContact OG1-O 2.94Å; G460-V487 PolarHBondContact O-N 3.29Å; G460-V487 VanDerWaalsContact O-N 3.13Å; V465-V487 HydrophobicContact CG2-CG1 4.08Å; V465-V487 HydrophobicContact CG2-CG2 3.83Å; H483-V487 HydrophobicContact CB-CG2 4.18Å; G485-V487 PolarHBondContact O-N 2.88Å; V487-V490 HydrophobicContact CG1-CG1 3.81Å; V487-S502 CarbonylContact C-O 3.55Å; V487-S502 WeakPolarHBondContact CA-O 3.49Å; V487-S502 WeakPolarHBondContact CG1-O 3.44Å
488	T	98.5	Very high	97.5	Very high	20 Å²	20	45.5 Å²	45.5	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-30	-175.8	53.8	0	0	0	0	113.3	S502 T504 V531	T488-S502 PolarHBondContact N-O 3.24Å; T488-S502 PolarHBondContact OG1-O 3.21Å; T488-S502 PolarHBondContact OG1-OG 2.76Å; T488-T504 HydrophobicContact CG2-CG2 3.73Å; T488-V531 WeakPolarHBondContact CB-O 3.16Å; T488-V531 VanDerWaalsContact CG2-O 3.3Å; T488-V531 WeakPolarHBondContact CG2-O 3.08Å; T488-V531 PolarHBondContact OG1-O 2.92Å
489	C	98.4	Very high	97.6	Very high	7 Å²	7	41.4 Å²	41.4	5%	0.047	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	147	178.1	-165.3	0	0	0	0	110.1	C446 A501 S502 L534	C446-C489 VanDerWaalsContact SG-C 3.51Å; C446-C489 WeakPolarHBondContact SG-CA 3.46Å; C489-A501 CarbonylContact O-C 3.46Å; C489-A501 VanDerWaalsContact O-CA 3.28Å; C489-A501 WeakPolarHBondContact O-CA 3.41Å; C489-S502 WeakPolarHBondContact CB-OG 3.32Å; C489-S502 PolarHBondContact N-OG 2.83Å; C489-S502 PolarHBondContact O-N 2.82Å; C489-L534 HydrophobicContact CB-CB 4.29Å; C489-L534 HydrophobicContact CB-CD1 4.41Å; C489-L534 HydrophobicContact CB-CG 4.16Å; C489-L534 PolarHBondContact SG-N 2.87Å
490	V	98.5	Very high	97.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.6	169.7	-64.1	0	0	0	0	109	C446 A448 A457 V465 V487 L499 A500 A501	C446-V490 HydrophobicContact CB-CG2 4.29Å; C446-V490 PolarHBondContact SG-N 2.9Å; A448-V490 HydrophobicContact CB-CG2 3.98Å; A448-V490 WeakPolarHBondContact CB-O 3.3Å; A457-V490 HydrophobicContact CB-CG2 4.31Å; V465-V490 HydrophobicContact CG1-CG1 4.3Å; V465-V490 HydrophobicContact CG2-CG1 4.1Å; V487-V490 HydrophobicContact CG1-CG1 3.81Å; V490-L499 HydrophobicContact CB-CD1 4.35Å; V490-A500 CarbonylContact C-O 3.55Å; V490-A500 VanDerWaalsContact CA-O 3.27Å; V490-A500 WeakPolarHBondContact CA-O 3.3Å; V490-A501 HydrophobicContact CG1-CB 3.87Å
491	R	98.3	Very high	97.7	Very high	58 Å²	58	33.1 Å²	33.1	22%	0.219	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	133.3	176.1	-65.2	-63.7	178.2	-109.1	12.9	110.7	D410 V447 A500 L534 W536	D410-R491 IonicContact OD1-NH2 3.89Å; D410-R491 PolarHBondContact OD1-NH2 2.81Å; D410-R491 IonicContact OD2-CZ 3.43Å; D410-R491 IonicContact OD2-NH1 3.25Å; D410-R491 PolarHBondContact OD2-NH1 3.3Å; D410-R491 IonicContact OD2-NH2 3.8Å; D410-R491 PolarHBondContact OD2-NH2 2.98Å; V447-R491 PolarHBondContact O-NH1 2.64Å; R491-A500 PolarHBondContact N-O 3.3Å; R491-A500 PolarHBondContact O-N 2.76Å; R491-L534 HydrophobicContact CG-CB 4.49Å; R491-W536 PolarHBondContact O-NE1 3.27Å
492	F	98.3	Very high	97.7	Very high	18 Å²	18	32.5 Å²	32.5	8%	0.079	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	149	170.8	-76.6	-82	0	0	0	111	A448 L449 N450 L455 A457 L467 L498 L499 V513 W536	A448-F492 HydrophobicContact CB-CD2 3.77Å; A448-F492 HydrophobicContact CB-CE2 4.15Å; A448-F492 WeakPolarHBondContact O-CE2 3.29Å; L449-F492 VanDerWaalsContact C-CD2 3.43Å; L449-F492 WeakPolarHBondContact O-CD2 3.38Å; N450-F492 HydrophobicContact CB-CD1 3.95Å; N450-F492 HydrophobicContact CB-CD2 3.93Å; N450-F492 HydrophobicContact CB-CE1 3.95Å; N450-F492 HydrophobicContact CB-CE2 3.92Å; N450-F492 HydrophobicContact CB-CG 3.94Å; N450-F492 HydrophobicContact CB-CZ 3.93Å; L455-F492 HydrophobicContact CB-CZ 4.21Å; A457-F492 HydrophobicContact CB-CE2 3.76Å; A457-F492 HydrophobicContact CB-CZ 3.94Å; L467-F492 HydrophobicContact CD1-CE1 4.28Å; L467-F492 HydrophobicContact CD1-CZ 3.69Å; F492-L498 CarbonylContact C-O 3.55Å; F492-L498 WeakPolarHBondContact CA-O 3.16Å; F492-L499 HydrophobicContact CD1-CB 4.3Å; F492-L499 HydrophobicContact CD1-CD1 4.04Å; F492-L499 HydrophobicContact CD2-CD1 4.04Å; F492-L499 HydrophobicContact CE1-CB 4.31Å; F492-L499 HydrophobicContact CE1-CD1 4.09Å; F492-L499 HydrophobicContact CE2-CD1 4.09Å; F492-L499 HydrophobicContact CG-CD1 4.02Å; F492-L499 HydrophobicContact CZ-CD1 4.11Å; F492-V513 HydrophobicContact CD1-CG2 3.82Å; F492-V513 HydrophobicContact CE1-CG1 4.15Å; F492-V513 HydrophobicContact CE1-CG2 3.59Å; F492-W536 VanDerWaalsContact C-CD1 3.45Å
493	S	98.1	Very high	97.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.007	15%	0.148	C	C	.	.			trans	-63.1	151.4	163.7	54.9	0	0	0	0	110.3	D495 G496 Q497 L498	S493-D495 WeakPolarHBondContact CB-OD1 3.26Å; S493-D495 PolarHBondContact O-N 2.97Å; S493-D495 VanDerWaalsContact O-N 3.13Å; S493-D495 PolarHBondContact OG-OD1 2.86Å; S493-G496 WeakPolarHBondContact O-CA 3.27Å; S493-G496 PolarHBondContact O-N 2.97Å; S493-G496 PolarHBondContact OG-N 2.8Å; S493-Q497 PolarHBondContact OG-N 2.93Å; S493-L498 PolarHBondContact N-O 2.89Å; S493-L498 PolarHBondContact OG-N 3.34Å; S493-L498 PolarHBondContact OG-O 2.81Å
494	P	96.4	Very high	97.9	Very high	57 Å²	57	30 Å²	30	37%	0.37	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-27.2	176.5	-23.6	25.2	0	0	0	115.3	P451 S537 N540	P451-P494 WeakPolarHBondContact CG-O 3.45Å; P494-S537 WeakPolarHBondContact CG-O 3.31Å; P494-N540 WeakPolarHBondContact CA-OD1 3.48Å; P494-N540 WeakPolarHBondContact CB-OD1 3.24Å; P494-N540 WeakPolarHBondContact CD-OD1 3.4Å; P494-N540 VanDerWaalsContact CG-OD1 3.32Å; P494-N540 WeakPolarHBondContact CG-OD1 3.32Å
495	D	96.9	Very high	98	Very high	80 Å²	80	26.3 Å²	26.3	43%	0.428	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-4.6	174.4	67.5	7.4	0	0	0	114.3	S493 Q497 N540	S493-D495 WeakPolarHBondContact CB-OD1 3.26Å; S493-D495 PolarHBondContact O-N 2.97Å; S493-D495 VanDerWaalsContact O-N 3.13Å; S493-D495 PolarHBondContact OG-OD1 2.86Å; D495-Q497 PolarHBondContact O-N 2.94Å; D495-Q497 PolarHBondContact OD1-N 3.05Å; D495-N540 PolarHBondContact N-OD1 2.87Å
496	G	97.1	Very high	98	Very high	14 Å²	14	31.3 Å²	31.3	14%	0.144	16%	0.163	C	C	.	.	S	Bend	trans	72	2.3	178.5	0	0	0	0	0	115.6	S493 V513	S493-G496 WeakPolarHBondContact O-CA 3.27Å; S493-G496 PolarHBondContact O-N 2.97Å; S493-G496 PolarHBondContact OG-N 2.8Å; G496-V513 WeakPolarHBondContact O-CG2 3.23Å
497	Q	97.5	Very high	98	Very high	130 Å²	130	33.2 Å²	33.2	61%	0.607	17%	0.166	S	C	*	.	S	Bend	trans	-80.8	-23.1	-177.2	-62.7	-134.3	-8.4	0	0	113.4	S493 D495 V513	S493-Q497 PolarHBondContact OG-N 2.93Å; D495-Q497 PolarHBondContact O-N 2.94Å; D495-Q497 PolarHBondContact OD1-N 3.05Å; Q497-V513 WeakPolarHBondContact O-CG2 3.46Å; Q497-V513 PolarHBondContact O-N 3.29Å
498	L	98.1	Very high	98	Very high	30 Å²	30	33.3 Å²	33.3	16%	0.157	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	150.9	-176.4	-59.9	169.8	0	0	0	111.1	F492 S493 Y511 A519 W536 M557	F492-L498 CarbonylContact C-O 3.55Å; F492-L498 WeakPolarHBondContact CA-O 3.16Å; S493-L498 PolarHBondContact N-O 2.89Å; S493-L498 PolarHBondContact OG-N 3.34Å; S493-L498 PolarHBondContact OG-O 2.81Å; L498-Y511 CarbonylContact C-O 3.58Å; L498-Y511 VanDerWaalsContact CA-O 3.25Å; L498-Y511 WeakPolarHBondContact CA-O 3.17Å; L498-A519 HydrophobicContact CD2-CB 3.72Å; L498-W536 HydrophobicContact CB-CH2 3.85Å; L498-W536 HydrophobicContact CB-CZ2 3.8Å; L498-W536 HydrophobicContact CD1-CH2 3.69Å; L498-W536 HydrophobicContact CD1-CZ2 4.49Å; L498-W536 HydrophobicContact CD1-CZ3 4.38Å; L498-W536 HydrophobicContact CG-CH2 4.44Å; L498-M557 HydrophobicContact CD1-CE 3.86Å
499	L	98.4	Very high	98	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	113.8	173.2	177.3	70.5	0	0	0	108.4	A457 V465 V490 F492 P510 Y511 V513 L516	A457-L499 HydrophobicContact CB-CD1 3.68Å; A457-L499 HydrophobicContact CB-CD2 3.74Å; A457-L499 HydrophobicContact CB-CG 4.38Å; V465-L499 HydrophobicContact CG1-CD2 3.74Å; V490-L499 HydrophobicContact CB-CD1 4.35Å; F492-L499 HydrophobicContact CD1-CB 4.3Å; F492-L499 HydrophobicContact CD1-CD1 4.04Å; F492-L499 HydrophobicContact CD2-CD1 4.04Å; F492-L499 HydrophobicContact CE1-CB 4.31Å; F492-L499 HydrophobicContact CE1-CD1 4.09Å; F492-L499 HydrophobicContact CE2-CD1 4.09Å; F492-L499 HydrophobicContact CG-CD1 4.02Å; F492-L499 HydrophobicContact CZ-CD1 4.11Å; L499-P510 CarbonylContact O-C 3.58Å; L499-Y511 PolarHBondContact N-O 2.86Å; L499-Y511 PolarHBondContact O-N 2.83Å; L499-V513 HydrophobicContact CB-CG2 3.99Å; L499-L516 HydrophobicContact CD2-CD1 4.01Å
500	A	98.5	Very high	97.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	135.3	172.2	0	0	0	0	0	109.7	V490 R491 L534 W536 I543	V490-A500 CarbonylContact C-O 3.55Å; V490-A500 VanDerWaalsContact CA-O 3.27Å; V490-A500 WeakPolarHBondContact CA-O 3.3Å; R491-A500 PolarHBondContact N-O 3.3Å; R491-A500 PolarHBondContact O-N 2.76Å; A500-L534 HydrophobicContact CB-CD1 4.05Å; A500-W536 HydrophobicContact CB-CZ2 3.87Å; A500-I543 HydrophobicContact CB-CD1 3.88Å; A500-I543 HydrophobicContact CB-CG1 4.35Å; A500-I543 HydrophobicContact CB-CG2 4.46Å
501	A	98.6	Very high	97.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144.2	173.9	0	0	0	0	0	110.8	V465 H483 C489 V490 V508 V509 Y511	V465-A501 HydrophobicContact CG2-CB 3.73Å; H483-A501 WeakPolarHBondContact NE2-CB 3.44Å; C489-A501 CarbonylContact O-C 3.46Å; C489-A501 VanDerWaalsContact O-CA 3.28Å; C489-A501 WeakPolarHBondContact O-CA 3.41Å; V490-A501 HydrophobicContact CG1-CB 3.87Å; A501-V508 CarbonylContact O-C 3.55Å; A501-V508 WeakPolarHBondContact O-CA 3.23Å; A501-V509 PolarHBondContact N-O 3.47Å; A501-V509 PolarHBondContact O-N 2.99Å; A501-Y511 HydrophobicContact CB-CD2 4.42Å; A501-Y511 HydrophobicContact CB-CE2 4.03Å
502	S	98.5	Very high	97.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	159.5	176.4	64.1	0	0	0	0	112	V487 T488 C489 R507	V487-S502 CarbonylContact C-O 3.55Å; V487-S502 WeakPolarHBondContact CA-O 3.49Å; V487-S502 WeakPolarHBondContact CG1-O 3.44Å; T488-S502 PolarHBondContact N-O 3.24Å; T488-S502 PolarHBondContact OG1-O 3.21Å; T488-S502 PolarHBondContact OG1-OG 2.76Å; C489-S502 WeakPolarHBondContact CB-OG 3.32Å; C489-S502 PolarHBondContact N-OG 2.83Å; C489-S502 PolarHBondContact O-N 2.82Å; S502-R507 VanDerWaalsContact CA-O 3.26Å; S502-R507 WeakPolarHBondContact CA-O 3.28Å
503	D	98.2	Very high	97.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	172.1	-179	64.8	45.4	0	0	0	115.2	H483 S486 T505 R506 R507 V531	H483-D503 HydrophobicContact CB-CB 4.46Å; H483-D503 IonicContact CG-OD2 2.84Å; H483-D503 IonicContact ND1-OD2 3.87Å; H483-D503 PolarHBondContact ND1-OD2 3Å; S486-D503 VanDerWaalsContact O-CA 3.32Å; S486-D503 WeakPolarHBondContact O-CA 3.41Å; S486-D503 WeakPolarHBondContact O-CB 3.38Å; D503-T505 VanDerWaalsContact CG-OG1 3.32Å; D503-T505 PolarHBondContact O-N 2.54Å; D503-T505 VanDerWaalsContact OD1-CA 3.25Å; D503-T505 WeakPolarHBondContact OD1-CA 3.47Å; D503-T505 WeakPolarHBondContact OD1-CB 3.3Å; D503-T505 PolarHBondContact OD1-N 3.28Å; D503-T505 PolarHBondContact OD1-OG1 3.11Å; D503-R506 PolarHBondContact O-N 3.02Å; D503-R506 PolarHBondContact OD1-N 3.49Å; D503-R507 PolarHBondContact N-O 3.32Å; D503-R507 VanDerWaalsContact N-O 3.11Å; D503-R507 PolarHBondContact OD1-N 3.37Å; D503-V531 PolarHBondContact O-N 3.29Å
504	T	98.3	Very high	97.7	Very high	52 Å²	52	37 Å²	37	32%	0.319	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.1	176	49	0	0	0	0	114.2	S486 T488 R506	S486-T504 PolarHBondContact N-OG1 2.94Å; S486-T504 VanDerWaalsContact N-OG1 3.13Å; S486-T504 PolarHBondContact O-N 2.96Å; S486-T504 PolarHBondContact O-OG1 2.93Å; T488-T504 HydrophobicContact CG2-CG2 3.73Å; T504-R506 VanDerWaalsContact C-N 3.31Å
505	T	97.8	Very high	97.7	Very high	50 Å²	50	36.2 Å²	36.2	31%	0.307	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	14.3	177.6	70.8	0	0	0	0	113.7	H484 D503 R507	H484-T505 HydrophobicContact CB-CG2 4.15Å; H484-T505 WeakPolarHBondContact CB-OG1 3.49Å; D503-T505 VanDerWaalsContact CG-OG1 3.32Å; D503-T505 PolarHBondContact O-N 2.54Å; D503-T505 VanDerWaalsContact OD1-CA 3.25Å; D503-T505 WeakPolarHBondContact OD1-CA 3.47Å; D503-T505 WeakPolarHBondContact OD1-CB 3.3Å; D503-T505 PolarHBondContact OD1-N 3.28Å; D503-T505 PolarHBondContact OD1-OG1 3.11Å; T505-R507 VanDerWaalsContact C-N 3.32Å
506	R	97.8	Very high	97.7	Very high	112 Å²	112	32.9 Å²	32.9	42%	0.423	18%	0.177	S	C	.	.	S	Bend	trans	82	2.9	172.3	-40.7	165.8	-63.8	179.4	6	114.2	D503 T504 H527 T528 A529	D503-R506 PolarHBondContact O-N 3.02Å; D503-R506 PolarHBondContact OD1-N 3.49Å; T504-R506 VanDerWaalsContact C-N 3.31Å; R506-H527 HydrophobicContact CB-CB 4.1Å; R506-H527 WeakPolarHBondContact CD-O 3.33Å; R506-T528 VanDerWaalsContact CD-C 3.46Å; R506-T528 WeakPolarHBondContact CD-O 3.14Å; R506-A529 WeakPolarHBondContact CG-O 3.38Å
507	R	97	Very high	97.7	Very high	69 Å²	69	38.5 Å²	38.5	26%	0.26	20%	0.2	S	C	.	.			trans	-83.8	146.9	-177.8	-67.3	-164.9	-173.2	-132.7	10.7	111.6	H484 S502 D503 T505 V509 D523 W524	H484-R507 VanDerWaalsContact CE1-CZ 3.48Å; H484-R507 PolarHBondContact CE1-NH2 3.19Å; H484-R507 PolarHBondContact ND1-NE 2.99Å; H484-R507 PolarHBondContact NE2-NH2 3.06Å; S502-R507 VanDerWaalsContact CA-O 3.26Å; S502-R507 WeakPolarHBondContact CA-O 3.28Å; D503-R507 PolarHBondContact N-O 3.32Å; D503-R507 VanDerWaalsContact N-O 3.11Å; D503-R507 PolarHBondContact OD1-N 3.37Å; T505-R507 VanDerWaalsContact C-N 3.32Å; R507-V509 HydrophobicContact CB-CG2 4.37Å; R507-D523 IonicContact CZ-OD1 3.36Å; R507-D523 IonicContact CZ-OD2 3.71Å; R507-D523 IonicContact NE-OD1 3.67Å; R507-D523 IonicContact NH1-OD1 3.85Å; R507-D523 PolarHBondContact NH1-OD1 3.27Å; R507-D523 IonicContact NH1-OD2 3.11Å; R507-D523 PolarHBondContact NH1-OD2 2.9Å; R507-W524 WeakPolarHBondContact CA-O 3.43Å
508	V	98.3	Very high	97.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.1	162.8	-177.9	0	0	0	0	106.9	A501 W524 V531 L534 I543 W555	A501-V508 CarbonylContact O-C 3.55Å; A501-V508 WeakPolarHBondContact O-CA 3.23Å; V508-W524 HydrophobicContact CB-CB 4.3Å; V508-W524 HydrophobicContact CB-CE3 4.33Å; V508-W524 HydrophobicContact CG1-CE3 4.05Å; V508-W524 PolarHBondContact N-O 3.44Å; V508-W524 WeakPolarHBondContact O-CB 3.48Å; V508-V531 HydrophobicContact CG2-CG1 4.43Å; V508-V531 HydrophobicContact CG2-CG2 4.18Å; V508-L534 HydrophobicContact CG1-CD1 4.42Å; V508-L534 HydrophobicContact CG1-CD2 3.87Å; V508-L534 HydrophobicContact CG2-CD2 4.03Å; V508-I543 HydrophobicContact CG1-CG2 4.48Å; V508-W555 HydrophobicContact CB-CZ2 4.37Å; V508-W555 HydrophobicContact CG2-CZ2 3.9Å
509	V	98.2	Very high	97.6	Very high	21 Å²	21	36.8 Å²	36.8	13%	0.127	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	113.8	-178.3	-171.9	0	0	0	0	108.8	A501 R507 Y511 P518	A501-V509 PolarHBondContact N-O 3.47Å; A501-V509 PolarHBondContact O-N 2.99Å; R507-V509 HydrophobicContact CB-CG2 4.37Å; V509-Y511 HydrophobicContact CB-CD2 4.4Å; V509-Y511 HydrophobicContact CB-CE2 3.69Å; V509-Y511 HydrophobicContact CG1-CD1 4.36Å; V509-Y511 HydrophobicContact CG1-CD2 4.1Å; V509-Y511 HydrophobicContact CG1-CE1 3.86Å; V509-Y511 HydrophobicContact CG1-CE2 3.56Å; V509-Y511 HydrophobicContact CG1-CG 4.47Å; V509-Y511 VanDerWaalsContact CG1-CZ 3.43Å; V509-P518 HydrophobicContact CG1-CB 4.24Å; V509-P518 HydrophobicContact CG1-CG 4.33Å
510	P	98.1	Very high	97.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.9	165.5	31.7	-30.2	0	0	0	109.4	L499 A519 I520 W524 I543 M557	L499-P510 CarbonylContact O-C 3.58Å; P510-A519 WeakPolarHBondContact O-CB 3.39Å; P510-A519 PolarHBondContact O-N 3.38Å; P510-I520 HydrophobicContact CG-CD1 3.69Å; P510-I520 HydrophobicContact CG-CG1 3.76Å; P510-I520 HydrophobicContact CG-CG2 4.11Å; P510-W524 HydrophobicContact CG-CE3 4.32Å; P510-W524 HydrophobicContact CG-CH2 4.33Å; P510-W524 HydrophobicContact CG-CZ3 3.97Å; P510-I543 HydrophobicContact CB-CD1 4.33Å; P510-M557 HydrophobicContact CB-CE 4Å; P510-M557 HydrophobicContact CB-SD 3.7Å; P510-M557 HydrophobicContact CG-CE 4.06Å; P510-M557 HydrophobicContact CG-SD 3.72Å
511	Y	98.2	Very high	97.2	Very high	10 Å²	10	48 Å²	48	4%	0.039	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	145	175.8	-65.9	-85.2	0	0	0	110.6	A481 H483 L498 L499 A501 V509 L516 E517 P518	A481-Y511 HydrophobicContact CB-CD1 4.44Å; A481-Y511 HydrophobicContact CB-CE1 3.84Å; H483-Y511 PolarHBondContact CD2-OH 2.79Å; H483-Y511 VanDerWaalsContact CD2-OH 3.31Å; H483-Y511 AromaticContact NE2-CE2 3.38Å; H483-Y511 WeakPolarHBondContact NE2-CE2 3.43Å; H483-Y511 AromaticContact NE2-CZ 3.64Å; H483-Y511 PolarHBondContact NE2-OH 3.04Å; L498-Y511 CarbonylContact C-O 3.58Å; L498-Y511 VanDerWaalsContact CA-O 3.25Å; L498-Y511 WeakPolarHBondContact CA-O 3.17Å; L499-Y511 PolarHBondContact N-O 2.86Å; L499-Y511 PolarHBondContact O-N 2.83Å; A501-Y511 HydrophobicContact CB-CD2 4.42Å; A501-Y511 HydrophobicContact CB-CE2 4.03Å; V509-Y511 HydrophobicContact CB-CD2 4.4Å; V509-Y511 HydrophobicContact CB-CE2 3.69Å; V509-Y511 HydrophobicContact CG1-CD1 4.36Å; V509-Y511 HydrophobicContact CG1-CD2 4.1Å; V509-Y511 HydrophobicContact CG1-CE1 3.86Å; V509-Y511 HydrophobicContact CG1-CE2 3.56Å; V509-Y511 HydrophobicContact CG1-CG 4.47Å; V509-Y511 VanDerWaalsContact CG1-CZ 3.43Å; Y511-L516 WeakPolarHBondContact CD1-O 3.15Å; Y511-E517 CarbonylContact C-O 3.33Å; Y511-E517 WeakPolarHBondContact CA-O 3.29Å; Y511-P518 HydrophobicContact CD1-CG 4.48Å; Y511-P518 HydrophobicContact CE1-CG 4.13Å
512	S	97.7	Very high	97	Very high	40 Å²	40	51.6 Å²	51.6	28%	0.28	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	122.6	163.6	-177.5	0	0	0	0	108.6	P514 S515 L516 E517	S512-P514 WeakPolarHBondContact OG-CD 3.46Å; S512-S515 PolarHBondContact O-N 3.07Å; S512-L516 VanDerWaalsContact O-CA 3.23Å; S512-L516 WeakPolarHBondContact O-CA 3.33Å; S512-L516 PolarHBondContact O-N 3Å; S512-E517 PolarHBondContact N-O 2.81Å
513	V	97.7	Very high	96.7	Very high	12 Å²	12	55 Å²	55	7%	0.073	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-42.7	-175.8	172	0	0	0	0	112.8	L455 L467 F492 G496 Q497 L499 S515	L455-V513 HydrophobicContact CD1-CG1 3.7Å; L467-V513 HydrophobicContact CD2-CG1 4.17Å; F492-V513 HydrophobicContact CD1-CG2 3.82Å; F492-V513 HydrophobicContact CE1-CG1 4.15Å; F492-V513 HydrophobicContact CE1-CG2 3.59Å; G496-V513 WeakPolarHBondContact O-CG2 3.23Å; Q497-V513 WeakPolarHBondContact O-CG2 3.46Å; Q497-V513 PolarHBondContact O-N 3.29Å; L499-V513 HydrophobicContact CB-CG2 3.99Å; V513-S515 VanDerWaalsContact C-N 3.34Å; V513-S515 PolarHBondContact O-N 3.28Å
514	P	95	Very high	96.7	Very high	98 Å²	98	55.2 Å²	55.2	64%	0.636	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-38.6	179	-27.6	35.2	0	0	0	114.3	K479 S512	K479-P514 PolarHBondContact NZ-O 2.89Å; S512-P514 WeakPolarHBondContact OG-CD 3.46Å
515	S	95.6	Very high	96.5	Very high	40 Å²	40	54.6 Å²	54.6	28%	0.28	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-27.4	-177.6	62.1	0	0	0	0	113.6	K479 S512 V513 E517	K479-S515 WeakPolarHBondContact CD-O 3.29Å; K479-S515 PolarHBondContact NZ-O 2.86Å; S512-S515 PolarHBondContact O-N 3.07Å; V513-S515 VanDerWaalsContact C-N 3.34Å; V513-S515 PolarHBondContact O-N 3.28Å; S515-E517 WeakPolarHBondContact OG-CB 3.36Å; S515-E517 PolarHBondContact OG-N 3.3Å
516	L	96.7	Very high	96.5	Very high	10 Å²	10	56.4 Å²	56.4	5%	0.052	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	29.5	-161.9	-154.6	70	0	0	0	112.9	L467 K479 A481 L499 Y511 S512	L467-L516 HydrophobicContact CB-CD1 4.39Å; L467-L516 HydrophobicContact CB-CD2 4.28Å; K479-L516 HydrophobicContact CB-CB 4.11Å; K479-L516 HydrophobicContact CB-CD2 3.71Å; K479-L516 HydrophobicContact CD-CB 4.05Å; A481-L516 HydrophobicContact CB-CD2 3.87Å; A481-L516 HydrophobicContact CB-CG 3.92Å; L499-L516 HydrophobicContact CD2-CD1 4.01Å; Y511-L516 WeakPolarHBondContact CD1-O 3.15Å; S512-L516 VanDerWaalsContact O-CA 3.23Å; S512-L516 WeakPolarHBondContact O-CA 3.33Å; S512-L516 PolarHBondContact O-N 3Å
517	E	96.9	Very high	96.5	Very high	131 Å²	131	51.1 Å²	51.1	61%	0.612	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	152.4	172.5	-63.8	-179.4	161.8	0	0	110.6	Y511 S512 S515 A519	Y511-E517 CarbonylContact C-O 3.33Å; Y511-E517 WeakPolarHBondContact CA-O 3.29Å; S512-E517 PolarHBondContact N-O 2.81Å; S515-E517 WeakPolarHBondContact OG-CB 3.36Å; S515-E517 PolarHBondContact OG-N 3.3Å; E517-A519 PolarHBondContact O-N 3.47Å
518	P	97.1	Very high	96.6	Very high	82 Å²	82	53 Å²	53	53%	0.532	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	125.3	176.9	-26.6	35.2	0	0	0	111.9	V509 Y511 I520	V509-P518 HydrophobicContact CG1-CB 4.24Å; V509-P518 HydrophobicContact CG1-CG 4.33Å; Y511-P518 HydrophobicContact CD1-CG 4.48Å; Y511-P518 HydrophobicContact CE1-CG 4.13Å; P518-I520 VanDerWaalsContact C-N 3.26Å; P518-I520 PolarHBondContact O-N 2.74Å
519	A	96.8	Very high	96.5	Very high	43 Å²	43	54 Å²	54	36%	0.355	30%	0.303	S	S	.	.	S	Bend	trans	-75.9	-16.4	-179.2	0	0	0	0	0	112.9	L498 P510 E517 M557	L498-A519 HydrophobicContact CD2-CB 3.72Å; P510-A519 WeakPolarHBondContact O-CB 3.39Å; P510-A519 PolarHBondContact O-N 3.38Å; E517-A519 PolarHBondContact O-N 3.47Å; A519-M557 HydrophobicContact CB-CE 4.29Å
520	I	96.4	Very high	96.5	Very high	22 Å²	22	58.1 Å²	58.1	11%	0.113	32%	0.316	C	S	.	.			trans	-126.2	154	178	67.8	176.4	0	0	0	110	P510 P518 W524 M557 P560	P510-I520 HydrophobicContact CG-CD1 3.69Å; P510-I520 HydrophobicContact CG-CG1 3.76Å; P510-I520 HydrophobicContact CG-CG2 4.11Å; P518-I520 VanDerWaalsContact C-N 3.26Å; P518-I520 PolarHBondContact O-N 2.74Å; I520-W524 HydrophobicContact CD1-CD2 3.5Å; I520-W524 HydrophobicContact CD1-CE3 4.07Å; I520-W524 HydrophobicContact CD1-CG 3.85Å; I520-W524 HydrophobicContact CD1-CH2 4.24Å; I520-W524 HydrophobicContact CD1-CZ2 3.7Å; I520-W524 HydrophobicContact CD1-CZ3 4.4Å; I520-M557 HydrophobicContact CG2-CE 3.76Å; I520-M557 HydrophobicContact CG2-SD 4.43Å; I520-P560 HydrophobicContact CB-CB 4.05Å; I520-P560 HydrophobicContact CB-CG 4.47Å; I520-P560 HydrophobicContact CD1-CB 4.1Å; I520-P560 HydrophobicContact CG2-CB 3.77Å; I520-P560 HydrophobicContact CG2-CG 4.11Å
521	K	92.4	Very high	96.6	Very high	212 Å²	212	58.1 Å²	58.1	92%	0.922	32%	0.316	S	S	*	.	S	Bend	trans	-89.8	-19	175.6	-64.3	-175.1	179.6	-179.2	0	113.2
522	N	93.8	Very high	96.6	Very high	76 Å²	76	58.8 Å²	58.8	41%	0.406	32%	0.32	S	S	.	.	S	Bend	trans	-76.1	148.1	-177.6	-62.8	86.3	0	0	0	111.1	P560 G561	N522-P560 WeakPolarHBondContact CB-O 3.26Å; N522-G561 VanDerWaalsContact ND2-CA 3.33Å; N522-G561 WeakPolarHBondContact ND2-CA 3.27Å
523	D	92.8	Very high	96.6	Very high	71 Å²	71	57.3 Å²	57.3	38%	0.38	31%	0.31	S	S	.	.			trans	-90.1	109.2	174.2	-173.4	29.9	0	0	0	110.5	R507 S525	R507-D523 IonicContact CZ-OD1 3.36Å; R507-D523 IonicContact CZ-OD2 3.71Å; R507-D523 IonicContact NE-OD1 3.67Å; R507-D523 IonicContact NH1-OD1 3.85Å; R507-D523 PolarHBondContact NH1-OD1 3.27Å; R507-D523 IonicContact NH1-OD2 3.11Å; R507-D523 PolarHBondContact NH1-OD2 2.9Å; D523-S525 VanDerWaalsContact C-N 3.32Å; D523-S525 PolarHBondContact O-N 2.99Å; D523-S525 VanDerWaalsContact O-N 3.12Å; D523-S525 WeakPolarHBondContact OD2-CB 3.42Å; D523-S525 PolarHBondContact OD2-OG 2.86Å
524	W	97.5	Very high	96.6	Very high	6 Å²	6	56.9 Å²	56.9	2%	0.023	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-85.8	77.7	174.1	-75	1.6	0	0	0	110.1	R507 V508 P510 I520 I543 W555 M557 P560	R507-W524 WeakPolarHBondContact CA-O 3.43Å; V508-W524 HydrophobicContact CB-CB 4.3Å; V508-W524 HydrophobicContact CB-CE3 4.33Å; V508-W524 HydrophobicContact CG1-CE3 4.05Å; V508-W524 PolarHBondContact N-O 3.44Å; V508-W524 WeakPolarHBondContact O-CB 3.48Å; P510-W524 HydrophobicContact CG-CE3 4.32Å; P510-W524 HydrophobicContact CG-CH2 4.33Å; P510-W524 HydrophobicContact CG-CZ3 3.97Å; I520-W524 HydrophobicContact CD1-CD2 3.5Å; I520-W524 HydrophobicContact CD1-CE3 4.07Å; I520-W524 HydrophobicContact CD1-CG 3.85Å; I520-W524 HydrophobicContact CD1-CH2 4.24Å; I520-W524 HydrophobicContact CD1-CZ2 3.7Å; I520-W524 HydrophobicContact CD1-CZ3 4.4Å; W524-I543 HydrophobicContact CH2-CD1 4.22Å; W524-I543 HydrophobicContact CZ3-CD1 3.67Å; W524-W555 HydrophobicContact CB-CD2 4.36Å; W524-W555 HydrophobicContact CB-CE3 3.75Å; W524-W555 HydrophobicContact CB-CH2 3.83Å; W524-W555 HydrophobicContact CB-CZ2 4.45Å; W524-W555 HydrophobicContact CB-CZ3 3.45Å; W524-W555 VanDerWaalsContact CB-CZ3 3.45Å; W524-W555 AromaticContact CD1-CE3 3.82Å; W524-W555 AromaticContact CD1-CZ3 3.91Å; W524-W555 HydrophobicContact CD2-CB 4.13Å; W524-W555 AromaticContact CD2-CD2 3.86Å; W524-W555 HydrophobicContact CD2-CD2 3.86Å; W524-W555 AromaticContact CD2-CE3 3.47Å; W524-W555 HydrophobicContact CD2-CE3 3.47Å; W524-W555 VanDerWaalsContact CD2-CE3 3.47Å; W524-W555 HydrophobicContact CD2-CG 4.16Å; W524-W555 HydrophobicContact CD2-CZ3 4.12Å; W524-W555 AromaticContact CE2-CE3 3.93Å; W524-W555 HydrophobicContact CE3-CB 3.74Å; W524-W555 AromaticContact CE3-CD2 3.78Å; W524-W555 HydrophobicContact CE3-CD2 3.78Å; W524-W555 AromaticContact CE3-CE3 3.91Å; W524-W555 HydrophobicContact CE3-CE3 3.91Å; W524-W555 AromaticContact CE3-CG 3.71Å; W524-W555 HydrophobicContact CE3-CG 3.71Å; W524-W555 HydrophobicContact CG-CD2 4.15Å; W524-W555 AromaticContact CG-CE3 3.41Å; W524-W555 HydrophobicContact CG-CE3 3.41Å; W524-W555 VanDerWaalsContact CG-CE3 3.41Å; W524-W555 HydrophobicContact CG-CH2 4.38Å; W524-W555 AromaticContact CG-CZ3 3.54Å; W524-W555 HydrophobicContact CG-CZ3 3.54Å; W524-W555 HydrophobicContact CH2-CB 3.39Å; W524-W555 HydrophobicContact CH2-CG 4.28Å; W524-W555 HydrophobicContact CZ2-CB 3.81Å; W524-W555 HydrophobicContact CZ3-CB 3.36Å; W524-W555 HydrophobicContact CZ3-CD2 4.33Å; W524-W555 AromaticContact CZ3-CG 3.79Å; W524-W555 HydrophobicContact CZ3-CG 3.79Å; W524-M557 HydrophobicContact CH2-CG 4.34Å; W524-M557 HydrophobicContact CH2-SD 3.5Å; W524-M557 WeakPolarHBondContact CH2-SD 3.29Å; W524-M557 HydrophobicContact CZ2-SD 4.34Å; W524-M557 HydrophobicContact CZ3-SD 4.12Å; W524-P560 HydrophobicContact CZ2-CB 3.99Å; W524-P560 PolarHBondContact NE1-O 2.75Å
525	S	96	Very high	96.8	Very high	38 Å²	38	52.5 Å²	52.5	27%	0.266	28%	0.279	S	S	.	.			trans	-125.7	30.6	-177.9	59	0	0	0	0	113	D523 H527	D523-S525 VanDerWaalsContact C-N 3.32Å; D523-S525 PolarHBondContact O-N 2.99Å; D523-S525 VanDerWaalsContact O-N 3.12Å; D523-S525 WeakPolarHBondContact OD2-CB 3.42Å; D523-S525 PolarHBondContact OD2-OG 2.86Å; S525-H527 VanDerWaalsContact C-N 3.32Å; S525-H527 PolarHBondContact O-N 2.95Å
526	F	97.1	Very high	96.9	Very high	88 Å²	88	51.2 Å²	51.2	39%	0.386	27%	0.268	S	S	.	.			trans	-68.9	-24.1	-179.3	-77.4	-104.5	0	0	0	114.2	I553 W555 H563 P564	F526-I553 HydrophobicContact CB-CD1 3.71Å; F526-W555 HydrophobicContact CB-CH2 3.77Å; F526-W555 HydrophobicContact CB-CZ3 4.19Å; F526-W555 AromaticContact CD2-CH2 3.96Å; F526-W555 HydrophobicContact CD2-CH2 3.96Å; F526-W555 AromaticContact CD2-CZ3 3.57Å; F526-W555 HydrophobicContact CD2-CZ3 3.57Å; F526-W555 HydrophobicContact CE2-CZ3 4.34Å; F526-W555 HydrophobicContact CG-CH2 4.28Å; F526-W555 HydrophobicContact CG-CZ3 4.2Å; F526-H563 AromaticContact CE1-CD2 3.64Å; F526-H563 AromaticContact CE1-NE2 3.78Å; F526-P564 HydrophobicContact CB-CG 4.31Å; F526-P564 HydrophobicContact CD1-CG 3.95Å; F526-P564 HydrophobicContact CD2-CG 3.97Å; F526-P564 HydrophobicContact CE1-CG 4.22Å; F526-P564 HydrophobicContact CE2-CG 4.21Å; F526-P564 HydrophobicContact CG-CG 3.81Å; F526-P564 VanDerWaalsContact CZ-CD 3.46Å; F526-P564 HydrophobicContact CZ-CG 4.34Å
527	H	98	Very high	96.9	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.009	27%	0.266	C	S	.	.			trans	-61.4	146.7	173.3	-84.2	-61.8	0	0	0	110.8	R506 S525 V531 S545 S547 D549 S551 I553	R506-H527 HydrophobicContact CB-CB 4.1Å; R506-H527 WeakPolarHBondContact CD-O 3.33Å; S525-H527 VanDerWaalsContact C-N 3.32Å; S525-H527 PolarHBondContact O-N 2.95Å; H527-V531 HydrophobicContact CB-CG2 4.24Å; H527-S545 PolarHBondContact CD2-OG 3.47Å; H527-S545 PolarHBondContact NE2-OG 3.14Å; H527-S547 WeakPolarHBondContact CE1-CB 3.3Å; H527-S547 WeakPolarHBondContact ND1-CB 3.28Å; H527-D549 WeakPolarHBondContact CA-OD2 3.49Å; H527-D549 WeakPolarHBondContact CB-OD2 3.45Å; H527-D549 IonicContact CE1-OD1 3.95Å; H527-D549 IonicContact CG-OD2 3.8Å; H527-D549 IonicContact ND1-OD1 2.75Å; H527-D549 PolarHBondContact ND1-OD1 3.33Å; H527-D549 IonicContact ND1-OD2 3.74Å; H527-D549 PolarHBondContact ND1-OD2 3.3Å; H527-S551 PolarHBondContact CE1-OG 2.86Å; H527-S551 PolarHBondContact ND1-OG 2.97Å; H527-I553 HydrophobicContact CB-CD1 4.45Å; H527-I553 VanDerWaalsContact CE1-CG1 3.47Å; H527-I553 WeakPolarHBondContact CE1-CG1 3.28Å
528	T	97.6	Very high	96.9	Very high	107 Å²	107	46.9 Å²	46.9	66%	0.656	25%	0.252	S	S	*	.	S	Bend	trans	-99	-12.3	-179.5	60.4	0	0	0	0	112.9	R506 D549	R506-T528 VanDerWaalsContact CD-C 3.46Å; R506-T528 WeakPolarHBondContact CD-O 3.14Å; T528-D549 PolarHBondContact N-OD2 2.99Å; T528-D549 WeakPolarHBondContact OG1-CB 3.41Å; T528-D549 PolarHBondContact OG1-OD2 3.27Å
529	A	98	Very high	96.8	Very high	25 Å²	25	45.5 Å²	45.5	21%	0.207	24%	0.243	C	C	.	.	S	Bend	trans	-141.3	176.3	173.6	0	0	0	0	0	111.5	R506 V531 S547 L548 D549	R506-A529 WeakPolarHBondContact CG-O 3.38Å; A529-V531 PolarHBondContact O-N 3.02Å; A529-S547 PolarHBondContact O-OG 3.12Å; A529-L548 HydrophobicContact CB-CB 3.93Å; A529-L548 HydrophobicContact CB-CD2 4.32Å; A529-L548 HydrophobicContact CB-CG 4.16Å; A529-D549 HydrophobicContact CB-CB 3.88Å
530	R	97.9	Very high	96.8	Very high	107 Å²	107	45.9 Å²	45.9	40%	0.404	24%	0.24	S	C	.	.			trans	-47.7	134.3	-175.7	60.9	177.4	-76.2	164.6	2.8	112.3	N532 S547 L548	R530-N532 PolarHBondContact NE-OD1 3.1Å; R530-S547 WeakPolarHBondContact O-CA 3.32Å; R530-S547 WeakPolarHBondContact O-CB 3.43Å; R530-S547 PolarHBondContact O-OG 2.92Å; R530-L548 HydrophobicContact CG-CB 3.47Å; R530-L548 VanDerWaalsContact CG-CB 3.47Å; R530-L548 HydrophobicContact CG-CD2 3.71Å; R530-L548 HydrophobicContact CG-CG 4.23Å; R530-L548 PolarHBondContact O-N 2.96Å
531	V	98.6	Very high	96.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.3	170.7	-174.5	0	0	0	0	108	T488 D503 V508 H527 A529 L534	T488-V531 WeakPolarHBondContact CB-O 3.16Å; T488-V531 VanDerWaalsContact CG2-O 3.3Å; T488-V531 WeakPolarHBondContact CG2-O 3.08Å; T488-V531 PolarHBondContact OG1-O 2.92Å; D503-V531 PolarHBondContact O-N 3.29Å; V508-V531 HydrophobicContact CG2-CG1 4.43Å; V508-V531 HydrophobicContact CG2-CG2 4.18Å; H527-V531 HydrophobicContact CB-CG2 4.24Å; A529-V531 PolarHBondContact O-N 3.02Å; V531-L534 HydrophobicContact CG1-CD2 4.29Å
532	N	98.3	Very high	97	Very high	24 Å²	24	38.5 Å²	38.5	13%	0.128	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-35.1	-177.3	-75	-22.4	0	0	0	112.5	R530 G546 Q575 I576	R530-N532 PolarHBondContact NE-OD1 3.1Å; N532-G546 PolarHBondContact N-O 3.1Å; N532-Q575 PolarHBondContact ND2-OE1 3.35Å; N532-Q575 VanDerWaalsContact ND2-OE1 3.16Å; N532-I576 VanDerWaalsContact CB-O 3.29Å; N532-I576 WeakPolarHBondContact CB-O 3.34Å; N532-I576 PolarHBondContact ND2-O 3.31Å
533	C	98.3	Very high	97.2	Very high	9 Å²	9	34.9 Å²	34.9	6%	0.061	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	154.2	-171.9	54.1	0	0	0	0	112	S545 G546 I579	C533-S545 WeakPolarHBondContact O-CA 3.33Å; C533-G546 PolarHBondContact N-O 3.43Å; C533-G546 PolarHBondContact O-N 3.16Å; C533-G546 VanDerWaalsContact O-N 3.08Å; C533-I579 HydrophobicContact CB-CG2 4.19Å
534	L	98.2	Very high	97.5	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.6	174.8	-66.8	177.3	0	0	0	110.3	C489 R491 A500 V508 V531 I543 A544	C489-L534 HydrophobicContact CB-CB 4.29Å; C489-L534 HydrophobicContact CB-CD1 4.41Å; C489-L534 HydrophobicContact CB-CG 4.16Å; C489-L534 PolarHBondContact SG-N 2.87Å; R491-L534 HydrophobicContact CG-CB 4.49Å; A500-L534 HydrophobicContact CB-CD1 4.05Å; V508-L534 HydrophobicContact CG1-CD1 4.42Å; V508-L534 HydrophobicContact CG1-CD2 3.87Å; V508-L534 HydrophobicContact CG2-CD2 4.03Å; V531-L534 HydrophobicContact CG1-CD2 4.29Å; L534-I543 HydrophobicContact CD2-CG2 4.03Å; L534-A544 CarbonylContact C-O 3.56Å; L534-A544 VanDerWaalsContact CA-O 3.31Å; L534-A544 WeakPolarHBondContact CA-O 3.4Å
535	A	98.3	Very high	97.6	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.041	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	136.3	167.6	0	0	0	0	0	111.4	I543 A544 I579 W581	A535-I543 WeakPolarHBondContact O-CA 3.32Å; A535-A544 PolarHBondContact N-O 2.99Å; A535-A544 PolarHBondContact O-N 3.17Å; A535-I579 HydrophobicContact CB-CG2 4.01Å; A535-W581 PolarHBondContact O-NE1 3.3Å
536	W	98.1	Very high	97.7	Very high	14 Å²	14	29.4 Å²	29.4	5%	0.053	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	137	172.6	-80.2	94.1	0	0	0	111.1	R491 F492 L498 A500 I543 M557	R491-W536 PolarHBondContact O-NE1 3.27Å; F492-W536 VanDerWaalsContact C-CD1 3.45Å; L498-W536 HydrophobicContact CB-CH2 3.85Å; L498-W536 HydrophobicContact CB-CZ2 3.8Å; L498-W536 HydrophobicContact CD1-CH2 3.69Å; L498-W536 HydrophobicContact CD1-CZ2 4.49Å; L498-W536 HydrophobicContact CD1-CZ3 4.38Å; L498-W536 HydrophobicContact CG-CH2 4.44Å; A500-W536 HydrophobicContact CB-CZ2 3.87Å; W536-I543 HydrophobicContact CD2-CD1 4.36Å; W536-I543 HydrophobicContact CD2-CG1 3.62Å; W536-I543 HydrophobicContact CE3-CD1 4.33Å; W536-I543 HydrophobicContact CE3-CG1 3.6Å; W536-I543 HydrophobicContact CG-CG1 4.38Å; W536-I543 HydrophobicContact CH2-CD1 3.49Å; W536-I543 VanDerWaalsContact CH2-CD1 3.49Å; W536-I543 HydrophobicContact CH2-CG1 3.72Å; W536-I543 HydrophobicContact CZ2-CD1 3.53Å; W536-I543 HydrophobicContact CZ2-CG1 3.76Å; W536-I543 HydrophobicContact CZ3-CD1 3.92Å; W536-I543 HydrophobicContact CZ3-CG1 3.64Å; W536-M557 HydrophobicContact CH2-CG 3.88Å; W536-M557 HydrophobicContact CH2-SD 4.24Å; W536-M557 HydrophobicContact CZ3-CG 3.9Å
537	S	97.3	Very high	97.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.			trans	-68.2	140.3	168.1	176.4	0	0	0	0	110	P494 C539 N540 Y542 S584	P494-S537 WeakPolarHBondContact CG-O 3.31Å; S537-C539 PolarHBondContact O-N 2.7Å; S537-C539 PolarHBondContact OG-SG 2.81Å; S537-N540 PolarHBondContact O-N 2.92Å; S537-N540 VanDerWaalsContact O-N 3.08Å; S537-Y542 WeakPolarHBondContact CB-O 3.35Å; S537-Y542 PolarHBondContact N-O 3.12Å; S537-S584 WeakPolarHBondContact OG-CA 3.43Å; S537-S584 PolarHBondContact OG-O 3.35Å
538	P	96	Very high	97.8	Very high	50 Å²	50	29 Å²	29	33%	0.325	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-22	176.9	-28.4	35.1	0	0	0	115.1	N540 D583	P538-N540 VanDerWaalsContact C-N 3.28Å; P538-N540 PolarHBondContact O-N 3.01Å; P538-D583 WeakPolarHBondContact CD-O 3.2Å
539	C	95.9	Very high	97.8	Very high	52 Å²	52	25 Å²	25	35%	0.351	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	5.5	178.6	68.2	0	0	0	0	115.4	S537 R541 S584	S537-C539 PolarHBondContact O-N 2.7Å; S537-C539 PolarHBondContact OG-SG 2.81Å; C539-R541 PolarHBondContact O-N 3.37Å; C539-R541 VanDerWaalsContact O-N 3.1Å; C539-S584 WeakPolarHBondContact CB-OG 3.46Å; C539-S584 PolarHBondContact N-OG 3.14Å
540	N	95.6	Very high	97.7	Very high	52 Å²	52	25.4 Å²	25.4	28%	0.278	13%	0.129	S	C	.	.	S	Bend	trans	61.4	11.6	-178.4	-61.8	-67.9	0	0	0	115.7	P494 D495 S537 P538	P494-N540 WeakPolarHBondContact CA-OD1 3.48Å; P494-N540 WeakPolarHBondContact CB-OD1 3.24Å; P494-N540 WeakPolarHBondContact CD-OD1 3.4Å; P494-N540 VanDerWaalsContact CG-OD1 3.32Å; P494-N540 WeakPolarHBondContact CG-OD1 3.32Å; D495-N540 PolarHBondContact N-OD1 2.87Å; S537-N540 PolarHBondContact O-N 2.92Å; S537-N540 VanDerWaalsContact O-N 3.08Å; P538-N540 VanDerWaalsContact C-N 3.28Å; P538-N540 PolarHBondContact O-N 3.01Å
541	R	96.6	Very high	97.7	Very high	63 Å²	63	20.8 Å²	20.8	24%	0.238	11%	0.113	C	C	.	.	S	Bend	trans	-104.3	-45.9	-177.3	-179.3	175.3	176.3	-168.6	-4.3	113.1	C539 D556 M557 R558	C539-R541 PolarHBondContact O-N 3.37Å; C539-R541 VanDerWaalsContact O-N 3.1Å; R541-D556 WeakPolarHBondContact CG-OD1 3.2Å; R541-D556 IonicContact CZ-OD1 3.03Å; R541-D556 IonicContact CZ-OD2 3.08Å; R541-D556 VanDerWaalsContact CZ-OD2 3.25Å; R541-D556 VanDerWaalsContact NE-CG 3.31Å; R541-D556 IonicContact NE-OD1 3.39Å; R541-D556 PolarHBondContact NE-OD1 3.4Å; R541-D556 IonicContact NE-OD2 3.65Å; R541-D556 PolarHBondContact NE-OD2 3.1Å; R541-D556 VanDerWaalsContact NE-OD2 3.09Å; R541-D556 IonicContact NH2-OD1 2.91Å; R541-D556 IonicContact NH2-OD2 2.91Å; R541-D556 PolarHBondContact NH2-OD2 3.13Å; R541-M557 VanDerWaalsContact O-CB 3.31Å; R541-M557 WeakPolarHBondContact O-CB 3.14Å; R541-M557 WeakPolarHBondContact O-CG 3.17Å; R541-M557 PolarHBondContact O-N 2.88Å; R541-R558 HydrophobicContact CG-CG 4.12Å
542	Y	97.9	Very high	97.7	Very high	15 Å²	15	20.8 Å²	20.8	6%	0.059	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	141.7	-170.3	-52.5	-67	0	0	0	112.1	S537 V554 W555 D556 L603	S537-Y542 WeakPolarHBondContact CB-O 3.35Å; S537-Y542 PolarHBondContact N-O 3.12Å; Y542-V554 HydrophobicContact CD1-CG1 4.34Å; Y542-V554 HydrophobicContact CG-CG1 4.35Å; Y542-W555 VanDerWaalsContact CA-O 3.24Å; Y542-W555 WeakPolarHBondContact CA-O 3.32Å; Y542-D556 HydrophobicContact CD1-CB 4.07Å; Y542-D556 HydrophobicContact CE1-CB 4.02Å; Y542-L603 HydrophobicContact CD1-CD1 4.3Å; Y542-L603 HydrophobicContact CD2-CD1 3.57Å; Y542-L603 HydrophobicContact CE1-CB 4.2Å; Y542-L603 HydrophobicContact CE1-CD1 4.34Å; Y542-L603 HydrophobicContact CE2-CB 3.8Å; Y542-L603 HydrophobicContact CE2-CD1 3.59Å; Y542-L603 HydrophobicContact CE2-CG 4.34Å; Y542-L603 HydrophobicContact CG-CD1 3.93Å; Y542-L603 WeakPolarHBondContact OH-CB 3.34Å; Y542-L603 PolarHBondContact OH-OXT 2.79Å
543	I	98.3	Very high	97.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134	166	-63.9	155.6	0	0	0	106.6	A500 V508 P510 W524 L534 A535 W536 V554 W555 M557	A500-I543 HydrophobicContact CB-CD1 3.88Å; A500-I543 HydrophobicContact CB-CG1 4.35Å; A500-I543 HydrophobicContact CB-CG2 4.46Å; V508-I543 HydrophobicContact CG1-CG2 4.48Å; P510-I543 HydrophobicContact CB-CD1 4.33Å; W524-I543 HydrophobicContact CH2-CD1 4.22Å; W524-I543 HydrophobicContact CZ3-CD1 3.67Å; L534-I543 HydrophobicContact CD2-CG2 4.03Å; A535-I543 WeakPolarHBondContact O-CA 3.32Å; W536-I543 HydrophobicContact CD2-CD1 4.36Å; W536-I543 HydrophobicContact CD2-CG1 3.62Å; W536-I543 HydrophobicContact CE3-CD1 4.33Å; W536-I543 HydrophobicContact CE3-CG1 3.6Å; W536-I543 HydrophobicContact CG-CG1 4.38Å; W536-I543 HydrophobicContact CH2-CD1 3.49Å; W536-I543 VanDerWaalsContact CH2-CD1 3.49Å; W536-I543 HydrophobicContact CH2-CG1 3.72Å; W536-I543 HydrophobicContact CZ2-CD1 3.53Å; W536-I543 HydrophobicContact CZ2-CG1 3.76Å; W536-I543 HydrophobicContact CZ3-CD1 3.92Å; W536-I543 HydrophobicContact CZ3-CG1 3.64Å; I543-V554 CarbonylContact O-C 3.56Å; I543-V554 WeakPolarHBondContact O-CA 3.46Å; I543-W555 HydrophobicContact CB-CB 4.34Å; I543-W555 PolarHBondContact N-O 3.45Å; I543-W555 PolarHBondContact O-N 2.75Å; I543-M557 HydrophobicContact CD1-CG 4.38Å; I543-M557 HydrophobicContact CD1-SD 4.08Å
544	A	98.5	Very high	97.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	138.7	168.4	0	0	0	0	0	109.6	L534 A535 I553 V554 I579 W581 L587	L534-A544 CarbonylContact C-O 3.56Å; L534-A544 VanDerWaalsContact CA-O 3.31Å; L534-A544 WeakPolarHBondContact CA-O 3.4Å; A535-A544 PolarHBondContact N-O 2.99Å; A535-A544 PolarHBondContact O-N 3.17Å; A544-I553 CarbonylContact C-O 3.59Å; A544-I553 WeakPolarHBondContact CA-O 3.43Å; A544-V554 HydrophobicContact CB-CG2 4.33Å; A544-I579 HydrophobicContact CB-CD1 3.84Å; A544-W581 HydrophobicContact CB-CZ2 3.82Å; A544-L587 HydrophobicContact CB-CD1 3.77Å; A544-L587 HydrophobicContact CB-CD2 3.66Å; A544-L587 HydrophobicContact CB-CG 4.38Å
545	S	98.7	Very high	97.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.2	175.5	59.7	0	0	0	0	111.3	H527 C533 I552 I553 W555	H527-S545 PolarHBondContact CD2-OG 3.47Å; H527-S545 PolarHBondContact NE2-OG 3.14Å; C533-S545 WeakPolarHBondContact O-CA 3.33Å; S545-I552 CarbonylContact O-C 3.5Å; S545-I552 VanDerWaalsContact O-CA 3.31Å; S545-I552 WeakPolarHBondContact O-CA 3.49Å; S545-I553 PolarHBondContact N-O 3.15Å; S545-I553 PolarHBondContact O-N 2.85Å; S545-I553 PolarHBondContact OG-O 2.77Å; S545-W555 PolarHBondContact OG-NE1 3.37Å
546	G	98.6	Very high	97.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	141.9	173.8	0	0	0	0	0	111.2	N532 C533	N532-G546 PolarHBondContact N-O 3.1Å; C533-G546 PolarHBondContact N-O 3.43Å; C533-G546 PolarHBondContact O-N 3.16Å; C533-G546 VanDerWaalsContact O-N 3.08Å
547	S	98.6	Very high	97.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	163.5	-169.9	170.7	0	0	0	0	114	H527 A529 R530 D549 T550 S551 I576	H527-S547 WeakPolarHBondContact CE1-CB 3.3Å; H527-S547 WeakPolarHBondContact ND1-CB 3.28Å; A529-S547 PolarHBondContact O-OG 3.12Å; R530-S547 WeakPolarHBondContact O-CA 3.32Å; R530-S547 WeakPolarHBondContact O-CB 3.43Å; R530-S547 PolarHBondContact O-OG 2.92Å; S547-D549 WeakPolarHBondContact CB-OD1 3.44Å; S547-D549 PolarHBondContact O-N 3.3Å; S547-D549 PolarHBondContact OG-N 2.9Å; S547-D549 PolarHBondContact OG-OD1 3.17Å; S547-D549 PolarHBondContact OG-OD2 2.92Å; S547-T550 PolarHBondContact O-N 2.79Å; S547-S551 PolarHBondContact N-O 3.19Å; S547-I576 PolarHBondContact O-N 3.37Å; S547-I576 VanDerWaalsContact O-N 3.12Å
548	L	98.2	Very high	97.5	Very high	81 Å²	81	30.4 Å²	30.4	42%	0.424	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.5	165.5	176.3	61.6	0	0	0	112.4	A529 R530 T550 Q575	A529-L548 HydrophobicContact CB-CB 3.93Å; A529-L548 HydrophobicContact CB-CD2 4.32Å; A529-L548 HydrophobicContact CB-CG 4.16Å; R530-L548 HydrophobicContact CG-CB 3.47Å; R530-L548 VanDerWaalsContact CG-CB 3.47Å; R530-L548 HydrophobicContact CG-CD2 3.71Å; R530-L548 HydrophobicContact CG-CG 4.23Å; R530-L548 PolarHBondContact O-N 2.96Å; L548-T550 PolarHBondContact O-N 2.61Å; L548-Q575 HydrophobicContact CB-CB 4.44Å; L548-Q575 HydrophobicContact CD1-CB 3.71Å; L548-Q575 HydrophobicContact CD1-CG 4.44Å
549	D	97.6	Very high	97.4	Very high	25 Å²	25	29.8 Å²	29.8	13%	0.134	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	8.9	176.7	67.6	22.4	0	0	0	114.5	H527 T528 A529 S547 S551	H527-D549 WeakPolarHBondContact CA-OD2 3.49Å; H527-D549 WeakPolarHBondContact CB-OD2 3.45Å; H527-D549 IonicContact CE1-OD1 3.95Å; H527-D549 IonicContact CG-OD2 3.8Å; H527-D549 IonicContact ND1-OD1 2.75Å; H527-D549 PolarHBondContact ND1-OD1 3.33Å; H527-D549 IonicContact ND1-OD2 3.74Å; H527-D549 PolarHBondContact ND1-OD2 3.3Å; T528-D549 PolarHBondContact N-OD2 2.99Å; T528-D549 WeakPolarHBondContact OG1-CB 3.41Å; T528-D549 PolarHBondContact OG1-OD2 3.27Å; A529-D549 HydrophobicContact CB-CB 3.88Å; S547-D549 WeakPolarHBondContact CB-OD1 3.44Å; S547-D549 PolarHBondContact O-N 3.3Å; S547-D549 PolarHBondContact OG-N 2.9Å; S547-D549 PolarHBondContact OG-OD1 3.17Å; S547-D549 PolarHBondContact OG-OD2 2.92Å; D549-S551 VanDerWaalsContact CG-OG 3.31Å; D549-S551 PolarHBondContact O-N 3.03Å; D549-S551 VanDerWaalsContact OD1-CB 3.32Å; D549-S551 WeakPolarHBondContact OD1-CB 3.31Å; D549-S551 PolarHBondContact OD1-N 3.5Å; D549-S551 PolarHBondContact OD1-OG 2.74Å
550	T	97.4	Very high	97.4	Very high	32 Å²	32	28.8 Å²	28.8	20%	0.196	14%	0.139	C	C	.	.	S	Bend	trans	72	1.8	178.7	79.3	0	0	0	0	115.5	S547 L548 A570 H571 S574	S547-T550 PolarHBondContact O-N 2.79Å; L548-T550 PolarHBondContact O-N 2.61Å; T550-A570 WeakPolarHBondContact O-CB 3.45Å; T550-A570 PolarHBondContact O-N 3.1Å; T550-H571 VanDerWaalsContact CB-O 3.26Å; T550-H571 WeakPolarHBondContact CB-O 3.33Å; T550-H571 PolarHBondContact O-N 3.2Å; T550-S574 WeakPolarHBondContact CG2-O 3.47Å
551	S	97.8	Very high	97.3	Very high	10 Å²	10	29 Å²	29	7%	0.07	15%	0.154	C	C	.	.			trans	-103.2	152.4	-176	73.5	0	0	0	0	113.7	H527 S547 D549 I567 I576	H527-S551 PolarHBondContact CE1-OG 2.86Å; H527-S551 PolarHBondContact ND1-OG 2.97Å; S547-S551 PolarHBondContact N-O 3.19Å; D549-S551 VanDerWaalsContact CG-OG 3.31Å; D549-S551 PolarHBondContact O-N 3.03Å; D549-S551 VanDerWaalsContact OD1-CB 3.32Å; D549-S551 WeakPolarHBondContact OD1-CB 3.31Å; D549-S551 PolarHBondContact OD1-N 3.5Å; D549-S551 PolarHBondContact OD1-OG 2.74Å; S551-I567 VanDerWaalsContact CA-O 3.27Å; S551-I567 WeakPolarHBondContact CA-O 3.34Å; S551-I567 WeakPolarHBondContact CB-O 3.4Å; S551-I576 VanDerWaalsContact O-CD1 3.23Å; S551-I576 WeakPolarHBondContact O-CD1 3.36Å
552	I	98.4	Very high	97.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.4	163	-58.3	169.1	0	0	0	107.7	S545 V554 I567 A570 I576 I579 L587 W599	S545-I552 CarbonylContact O-C 3.5Å; S545-I552 VanDerWaalsContact O-CA 3.31Å; S545-I552 WeakPolarHBondContact O-CA 3.49Å; I552-V554 HydrophobicContact CG2-CG2 4.33Å; I552-I567 HydrophobicContact CB-CB 4.17Å; I552-I567 HydrophobicContact CB-CD1 4.39Å; I552-I567 PolarHBondContact N-O 3.34Å; I552-I567 PolarHBondContact O-N 3.31Å; I552-A570 HydrophobicContact CB-CB 4.45Å; I552-A570 HydrophobicContact CD1-CB 3.81Å; I552-A570 HydrophobicContact CG1-CB 3.71Å; I552-I576 HydrophobicContact CB-CD1 4.42Å; I552-I576 HydrophobicContact CD1-CD1 4.22Å; I552-I576 HydrophobicContact CG1-CD1 3.3Å; I552-I579 HydrophobicContact CB-CD1 4.48Å; I552-I579 HydrophobicContact CD1-CD1 4.05Å; I552-I579 HydrophobicContact CG1-CD1 4.07Å; I552-I579 HydrophobicContact CG2-CD1 3.62Å; I552-L587 HydrophobicContact CG2-CD1 4.15Å; I552-W599 HydrophobicContact CD1-CD2 4.35Å; I552-W599 HydrophobicContact CD1-CG 4.41Å; I552-W599 HydrophobicContact CD1-CZ2 4.13Å; I552-W599 VanDerWaalsContact CD1-NE1 3.29Å
553	I	98.3	Very high	97	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.1	169.6	-58.6	-175.4	0	0	0	109.1	F526 H527 A544 S545 W555 P564 L565 V566	F526-I553 HydrophobicContact CB-CD1 3.71Å; H527-I553 HydrophobicContact CB-CD1 4.45Å; H527-I553 VanDerWaalsContact CE1-CG1 3.47Å; H527-I553 WeakPolarHBondContact CE1-CG1 3.28Å; A544-I553 CarbonylContact C-O 3.59Å; A544-I553 WeakPolarHBondContact CA-O 3.43Å; S545-I553 PolarHBondContact N-O 3.15Å; S545-I553 PolarHBondContact O-N 2.85Å; S545-I553 PolarHBondContact OG-O 2.77Å; I553-W555 HydrophobicContact CB-CZ2 3.91Å; I553-W555 HydrophobicContact CD1-CH2 4.26Å; I553-W555 HydrophobicContact CD1-CZ2 4.1Å; I553-W555 HydrophobicContact CG2-CD2 3.75Å; I553-W555 VanDerWaalsContact CG2-CE2 3.43Å; I553-W555 HydrophobicContact CG2-CE3 4.06Å; I553-W555 HydrophobicContact CG2-CG 4.4Å; I553-W555 HydrophobicContact CG2-CH2 3.88Å; I553-W555 HydrophobicContact CG2-CZ2 3.51Å; I553-W555 HydrophobicContact CG2-CZ3 4.12Å; I553-P564 HydrophobicContact CG2-CB 3.52Å; I553-P564 HydrophobicContact CG2-CG 3.6Å; I553-L565 CarbonylContact C-O 3.6Å; I553-L565 WeakPolarHBondContact CA-O 3.4Å; I553-V566 HydrophobicContact CD1-CG2 4.26Å; I553-V566 HydrophobicContact CG1-CG1 4.19Å; I553-V566 HydrophobicContact CG1-CG2 4.09Å; I553-V566 HydrophobicContact CG2-CG2 4.42Å
554	V	98.3	Very high	96.9	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.03	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	115.4	173	-175	0	0	0	0	108.9	Y542 I543 A544 I552 P564 L565 W581 L587 L601 L603	Y542-V554 HydrophobicContact CD1-CG1 4.34Å; Y542-V554 HydrophobicContact CG-CG1 4.35Å; I543-V554 CarbonylContact O-C 3.56Å; I543-V554 WeakPolarHBondContact O-CA 3.46Å; A544-V554 HydrophobicContact CB-CG2 4.33Å; I552-V554 HydrophobicContact CG2-CG2 4.33Å; V554-P564 WeakPolarHBondContact O-CB 3.33Å; V554-L565 HydrophobicContact CB-CB 4.18Å; V554-L565 HydrophobicContact CB-CD2 4.42Å; V554-L565 HydrophobicContact CG2-CD2 4.37Å; V554-L565 PolarHBondContact N-O 2.89Å; V554-L565 PolarHBondContact O-N 2.98Å; V554-L565 VanDerWaalsContact O-N 3.12Å; V554-W581 HydrophobicContact CG1-CH2 4.06Å; V554-W581 HydrophobicContact CG1-CZ2 4.08Å; V554-L587 HydrophobicContact CG2-CD1 3.86Å; V554-L601 HydrophobicContact CG2-CD1 3.84Å; V554-L603 HydrophobicContact CG1-CD1 4.32Å; V554-L603 HydrophobicContact CG1-CD2 4.24Å
555	W	97.8	Very high	96.8	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	142.2	-178	-44	91.6	0	0	0	110.3	V508 W524 F526 Y542 I543 S545 I553 P564	V508-W555 HydrophobicContact CB-CZ2 4.37Å; V508-W555 HydrophobicContact CG2-CZ2 3.9Å; W524-W555 HydrophobicContact CB-CD2 4.36Å; W524-W555 HydrophobicContact CB-CE3 3.75Å; W524-W555 HydrophobicContact CB-CH2 3.83Å; W524-W555 HydrophobicContact CB-CZ2 4.45Å; W524-W555 HydrophobicContact CB-CZ3 3.45Å; W524-W555 VanDerWaalsContact CB-CZ3 3.45Å; W524-W555 AromaticContact CD1-CE3 3.82Å; W524-W555 AromaticContact CD1-CZ3 3.91Å; W524-W555 HydrophobicContact CD2-CB 4.13Å; W524-W555 AromaticContact CD2-CD2 3.86Å; W524-W555 HydrophobicContact CD2-CD2 3.86Å; W524-W555 AromaticContact CD2-CE3 3.47Å; W524-W555 HydrophobicContact CD2-CE3 3.47Å; W524-W555 VanDerWaalsContact CD2-CE3 3.47Å; W524-W555 HydrophobicContact CD2-CG 4.16Å; W524-W555 HydrophobicContact CD2-CZ3 4.12Å; W524-W555 AromaticContact CE2-CE3 3.93Å; W524-W555 HydrophobicContact CE3-CB 3.74Å; W524-W555 AromaticContact CE3-CD2 3.78Å; W524-W555 HydrophobicContact CE3-CD2 3.78Å; W524-W555 AromaticContact CE3-CE3 3.91Å; W524-W555 HydrophobicContact CE3-CE3 3.91Å; W524-W555 AromaticContact CE3-CG 3.71Å; W524-W555 HydrophobicContact CE3-CG 3.71Å; W524-W555 HydrophobicContact CG-CD2 4.15Å; W524-W555 AromaticContact CG-CE3 3.41Å; W524-W555 HydrophobicContact CG-CE3 3.41Å; W524-W555 VanDerWaalsContact CG-CE3 3.41Å; W524-W555 HydrophobicContact CG-CH2 4.38Å; W524-W555 AromaticContact CG-CZ3 3.54Å; W524-W555 HydrophobicContact CG-CZ3 3.54Å; W524-W555 HydrophobicContact CH2-CB 3.39Å; W524-W555 HydrophobicContact CH2-CG 4.28Å; W524-W555 HydrophobicContact CZ2-CB 3.81Å; W524-W555 HydrophobicContact CZ3-CB 3.36Å; W524-W555 HydrophobicContact CZ3-CD2 4.33Å; W524-W555 AromaticContact CZ3-CG 3.79Å; W524-W555 HydrophobicContact CZ3-CG 3.79Å; F526-W555 HydrophobicContact CB-CH2 3.77Å; F526-W555 HydrophobicContact CB-CZ3 4.19Å; F526-W555 AromaticContact CD2-CH2 3.96Å; F526-W555 HydrophobicContact CD2-CH2 3.96Å; F526-W555 AromaticContact CD2-CZ3 3.57Å; F526-W555 HydrophobicContact CD2-CZ3 3.57Å; F526-W555 HydrophobicContact CE2-CZ3 4.34Å; F526-W555 HydrophobicContact CG-CH2 4.28Å; F526-W555 HydrophobicContact CG-CZ3 4.2Å; Y542-W555 VanDerWaalsContact CA-O 3.24Å; Y542-W555 WeakPolarHBondContact CA-O 3.32Å; I543-W555 HydrophobicContact CB-CB 4.34Å; I543-W555 PolarHBondContact N-O 3.45Å; I543-W555 PolarHBondContact O-N 2.75Å; S545-W555 PolarHBondContact OG-NE1 3.37Å; I553-W555 HydrophobicContact CB-CZ2 3.91Å; I553-W555 HydrophobicContact CD1-CH2 4.26Å; I553-W555 HydrophobicContact CD1-CZ2 4.1Å; I553-W555 HydrophobicContact CG2-CD2 3.75Å; I553-W555 VanDerWaalsContact CG2-CE2 3.43Å; I553-W555 HydrophobicContact CG2-CE3 4.06Å; I553-W555 HydrophobicContact CG2-CG 4.4Å; I553-W555 HydrophobicContact CG2-CH2 3.88Å; I553-W555 HydrophobicContact CG2-CZ2 3.51Å; I553-W555 HydrophobicContact CG2-CZ3 4.12Å; W555-P564 HydrophobicContact CD2-CB 4.44Å; W555-P564 HydrophobicContact CE3-CB 3.89Å; W555-P564 HydrophobicContact CE3-CG 4.02Å; W555-P564 HydrophobicContact CZ3-CB 4.26Å; W555-P564 HydrophobicContact CZ3-CG 3.86Å
556	D	97	Very high	96.7	Very high	26 Å²	26	41.1 Å²	41.1	14%	0.139	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.2	178.1	-174.5	-4.3	0	0	0	110.9	R541 Y542 R558 S559	R541-D556 WeakPolarHBondContact CG-OD1 3.2Å; R541-D556 IonicContact CZ-OD1 3.03Å; R541-D556 IonicContact CZ-OD2 3.08Å; R541-D556 VanDerWaalsContact CZ-OD2 3.25Å; R541-D556 VanDerWaalsContact NE-CG 3.31Å; R541-D556 IonicContact NE-OD1 3.39Å; R541-D556 PolarHBondContact NE-OD1 3.4Å; R541-D556 IonicContact NE-OD2 3.65Å; R541-D556 PolarHBondContact NE-OD2 3.1Å; R541-D556 VanDerWaalsContact NE-OD2 3.09Å; R541-D556 IonicContact NH2-OD1 2.91Å; R541-D556 IonicContact NH2-OD2 2.91Å; R541-D556 PolarHBondContact NH2-OD2 3.13Å; Y542-D556 HydrophobicContact CD1-CB 4.07Å; Y542-D556 HydrophobicContact CE1-CB 4.02Å; D556-R558 PolarHBondContact O-N 3.08Å; D556-R558 WeakPolarHBondContact OD1-CB 3.43Å; D556-R558 PolarHBondContact OD1-N 3.11Å; D556-S559 CarbonylContact O-C 3.14Å; D556-S559 PolarHBondContact O-N 3.05Å
557	M	96.4	Very high	96.5	Very high	34 Å²	34	41.2 Å²	41.2	17%	0.167	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.7	176.8	-74.3	-58.9	-57.2	0	0	113.6	L498 P510 A519 I520 W524 W536 R541 I543	L498-M557 HydrophobicContact CD1-CE 3.86Å; P510-M557 HydrophobicContact CB-CE 4Å; P510-M557 HydrophobicContact CB-SD 3.7Å; P510-M557 HydrophobicContact CG-CE 4.06Å; P510-M557 HydrophobicContact CG-SD 3.72Å; A519-M557 HydrophobicContact CB-CE 4.29Å; I520-M557 HydrophobicContact CG2-CE 3.76Å; I520-M557 HydrophobicContact CG2-SD 4.43Å; W524-M557 HydrophobicContact CH2-CG 4.34Å; W524-M557 HydrophobicContact CH2-SD 3.5Å; W524-M557 WeakPolarHBondContact CH2-SD 3.29Å; W524-M557 HydrophobicContact CZ2-SD 4.34Å; W524-M557 HydrophobicContact CZ3-SD 4.12Å; W536-M557 HydrophobicContact CH2-CG 3.88Å; W536-M557 HydrophobicContact CH2-SD 4.24Å; W536-M557 HydrophobicContact CZ3-CG 3.9Å; R541-M557 VanDerWaalsContact O-CB 3.31Å; R541-M557 WeakPolarHBondContact O-CB 3.14Å; R541-M557 WeakPolarHBondContact O-CG 3.17Å; R541-M557 PolarHBondContact O-N 2.88Å; I543-M557 HydrophobicContact CD1-CG 4.38Å; I543-M557 HydrophobicContact CD1-SD 4.08Å
558	R	95.3	Very high	96.3	Very high	189 Å²	189	49.5 Å²	49.5	71%	0.713	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-24.8	177	-66.7	-173.2	-177.2	-178.6	-0.6	113	R541 D556 P560	R541-R558 HydrophobicContact CG-CG 4.12Å; D556-R558 PolarHBondContact O-N 3.08Å; D556-R558 WeakPolarHBondContact OD1-CB 3.43Å; D556-R558 PolarHBondContact OD1-N 3.11Å; R558-P560 VanDerWaalsContact C-CD 3.42Å
559	S	95.1	Very high	96	Very high	37 Å²	37	46.9 Å²	46.9	26%	0.259	25%	0.247	S	C	.	.	S	Bend	trans	-128.4	57	-178.7	-63.9	0	0	0	0	111.4	D556 G561 E562	D556-S559 CarbonylContact O-C 3.14Å; D556-S559 PolarHBondContact O-N 3.05Å; S559-G561 PolarHBondContact O-N 2.82Å; S559-G561 VanDerWaalsContact O-N 3.08Å; S559-E562 PolarHBondContact O-N 3.27Å
560	P	94.8	Very high	95.9	Very high	31 Å²	31	45.7 Å²	45.7	20%	0.201	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.2	-169.1	28.7	-37	0	0	0	114.6	I520 N522 W524 R558	I520-P560 HydrophobicContact CB-CB 4.05Å; I520-P560 HydrophobicContact CB-CG 4.47Å; I520-P560 HydrophobicContact CD1-CB 4.1Å; I520-P560 HydrophobicContact CG2-CB 3.77Å; I520-P560 HydrophobicContact CG2-CG 4.11Å; N522-P560 WeakPolarHBondContact CB-O 3.26Å; W524-P560 HydrophobicContact CZ2-CB 3.99Å; W524-P560 PolarHBondContact NE1-O 2.75Å; R558-P560 VanDerWaalsContact C-CD 3.42Å
561	G	93.6	Very high	95.7	Very high	56 Å²	56	44.2 Å²	44.2	58%	0.577	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	-6.8	175.9	0	0	0	0	0	115	N522 S559	N522-G561 VanDerWaalsContact ND2-CA 3.33Å; N522-G561 WeakPolarHBondContact ND2-CA 3.27Å; S559-G561 PolarHBondContact O-N 2.82Å; S559-G561 VanDerWaalsContact O-N 3.08Å
562	E	94	Very high	95.4	Very high	135 Å²	135	46.2 Å²	46.2	63%	0.631	24%	0.243	S	C	*	.	S	Bend	trans	-82.4	159.2	176.9	-67.2	-169.3	169	0	0	111.5	S559	S559-E562 PolarHBondContact O-N 3.27Å
563	H	94.5	Very high	95.2	Very high	130 Å²	130	51.1 Å²	51.1	60%	0.602	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-64.7	124.2	174.6	-169.6	-63.8	0	0	0	109.3	F526	F526-H563 AromaticContact CE1-CD2 3.64Å; F526-H563 AromaticContact CE1-NE2 3.78Å
564	P	95.8	Very high	95	Very high	13 Å²	13	51.4 Å²	51.4	8%	0.084	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-68.5	164.7	-178.2	31.3	-37	0	0	0	111.1	F526 I553 V554 W555 V566	F526-P564 HydrophobicContact CB-CG 4.31Å; F526-P564 HydrophobicContact CD1-CG 3.95Å; F526-P564 HydrophobicContact CD2-CG 3.97Å; F526-P564 HydrophobicContact CE1-CG 4.22Å; F526-P564 HydrophobicContact CE2-CG 4.21Å; F526-P564 HydrophobicContact CG-CG 3.81Å; F526-P564 VanDerWaalsContact CZ-CD 3.46Å; F526-P564 HydrophobicContact CZ-CG 4.34Å; I553-P564 HydrophobicContact CG2-CB 3.52Å; I553-P564 HydrophobicContact CG2-CG 3.6Å; V554-P564 WeakPolarHBondContact O-CB 3.33Å; W555-P564 HydrophobicContact CD2-CB 4.44Å; W555-P564 HydrophobicContact CE3-CB 3.89Å; W555-P564 HydrophobicContact CE3-CG 4.02Å; W555-P564 HydrophobicContact CZ3-CB 4.26Å; W555-P564 HydrophobicContact CZ3-CG 3.86Å; P564-V566 HydrophobicContact CG-CG2 4.24Å; P564-V566 PolarHBondContact O-N 2.94Å
565	L	96.1	Very high	95	Very high	18 Å²	18	54 Å²	54	9%	0.094	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	120.2	169.1	170.3	66.1	0	0	0	108.5	R21 Y22 I553 V554 L601 L603	R21-L565 HydrophobicContact CB-CD1 3.89Å; Y22-L565 HydrophobicContact CD1-CD1 4.37Å; I553-L565 CarbonylContact C-O 3.6Å; I553-L565 WeakPolarHBondContact CA-O 3.4Å; V554-L565 HydrophobicContact CB-CB 4.18Å; V554-L565 HydrophobicContact CB-CD2 4.42Å; V554-L565 HydrophobicContact CG2-CD2 4.37Å; V554-L565 PolarHBondContact N-O 2.89Å; V554-L565 PolarHBondContact O-N 2.98Å; V554-L565 VanDerWaalsContact O-N 3.12Å; L565-L601 HydrophobicContact CD2-CD1 4.43Å; L565-L601 HydrophobicContact CD2-CD2 4.16Å; L565-L603 HydrophobicContact CD2-CD2 3.75Å
566	V	96.1	Very high	95	Very high	38 Å²	38	54 Å²	54	23%	0.23	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114.1	179.3	-176.3	0	0	0	0	109.4	I553 P564 K568	I553-V566 HydrophobicContact CD1-CG2 4.26Å; I553-V566 HydrophobicContact CG1-CG1 4.19Å; I553-V566 HydrophobicContact CG1-CG2 4.09Å; I553-V566 HydrophobicContact CG2-CG2 4.42Å; P564-V566 HydrophobicContact CG-CG2 4.24Å; P564-V566 PolarHBondContact O-N 2.94Å; V566-K568 HydrophobicContact CG1-CG 3.79Å; V566-K568 PolarHBondContact O-N 3.27Å
567	I	96.1	Very high	95.1	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	93.7	170.6	-52.7	177.6	0	0	0	106.9	Y22 S551 I552 A570 W599 L601	Y22-I567 HydrophobicContact CD1-CD1 4.46Å; Y22-I567 HydrophobicContact CD1-CG1 4.16Å; Y22-I567 HydrophobicContact CD2-CD1 4.42Å; Y22-I567 HydrophobicContact CE1-CG1 4.06Å; Y22-I567 HydrophobicContact CE2-CG2 3.9Å; Y22-I567 HydrophobicContact CG-CD1 4.3Å; Y22-I567 HydrophobicContact CG-CG1 4.46Å; S551-I567 VanDerWaalsContact CA-O 3.27Å; S551-I567 WeakPolarHBondContact CA-O 3.34Å; S551-I567 WeakPolarHBondContact CB-O 3.4Å; I552-I567 HydrophobicContact CB-CB 4.17Å; I552-I567 HydrophobicContact CB-CD1 4.39Å; I552-I567 PolarHBondContact N-O 3.34Å; I552-I567 PolarHBondContact O-N 3.31Å; I567-A570 HydrophobicContact CG2-CB 3.94Å; I567-W599 HydrophobicContact CD1-CB 4.49Å; I567-W599 HydrophobicContact CD1-CD2 4.13Å; I567-W599 HydrophobicContact CD1-CE3 4.04Å; I567-W599 HydrophobicContact CD1-CG 4.35Å; I567-W599 HydrophobicContact CG2-CE3 4.04Å; I567-W599 HydrophobicContact CG2-CH2 3.89Å; I567-W599 HydrophobicContact CG2-CZ2 4.48Å; I567-W599 HydrophobicContact CG2-CZ3 3.64Å; I567-L601 HydrophobicContact CD1-CD2 3.95Å
568	K	94	Very high	95.2	Very high	174 Å²	174	53.3 Å²	53.3	76%	0.757	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	142.1	178.8	-66.2	-172.8	178.2	-179.4	0	110.5	V566 A570	V566-K568 HydrophobicContact CG1-CG 3.79Å; V566-K568 PolarHBondContact O-N 3.27Å; K568-A570 PolarHBondContact O-N 3.17Å
569	G	91.8	Very high	95.3	Very high	26 Å²	26	44.7 Å²	44.7	27%	0.268	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	33.4	178.9	0	0	0	0	0	112.7	H571 T572	G569-H571 PolarHBondContact O-N 3.3Å; G569-T572 PolarHBondContact O-OG1 3.07Å
570	A	94.4	Very high	95.4	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-41.6	179.1	0	0	0	0	0	110.6	T550 I552 I567 K568 I576 R597 W599	T550-A570 WeakPolarHBondContact O-CB 3.45Å; T550-A570 PolarHBondContact O-N 3.1Å; I552-A570 HydrophobicContact CB-CB 4.45Å; I552-A570 HydrophobicContact CD1-CB 3.81Å; I552-A570 HydrophobicContact CG1-CB 3.71Å; I567-A570 HydrophobicContact CG2-CB 3.94Å; K568-A570 PolarHBondContact O-N 3.17Å; A570-I576 HydrophobicContact CB-CD1 4.06Å; A570-R597 WeakPolarHBondContact O-CD 3.35Å; A570-R597 PolarHBondContact O-NE 3.09Å; A570-R597 VanDerWaalsContact O-NE 3.11Å; A570-R597 PolarHBondContact O-NH1 3.38Å; A570-W599 HydrophobicContact CB-CH2 3.96Å; A570-W599 HydrophobicContact CB-CZ2 3.66Å
571	H	94.6	Very high	95.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	82.9	167.7	-76.3	-96.2	0	0	0	109.3	T550 G569 M573 S574 I576 S589 D593 M595	T550-H571 VanDerWaalsContact CB-O 3.26Å; T550-H571 WeakPolarHBondContact CB-O 3.33Å; T550-H571 PolarHBondContact O-N 3.2Å; G569-H571 PolarHBondContact O-N 3.3Å; H571-M573 PolarHBondContact O-N 3.49Å; H571-S574 CarbonylContact O-C 3.53Å; H571-S574 WeakPolarHBondContact O-CA 3.38Å; H571-S574 WeakPolarHBondContact O-CB 3.37Å; H571-S574 PolarHBondContact O-N 2.79Å; H571-I576 HydrophobicContact CB-CG1 4.33Å; H571-S589 PolarHBondContact CD2-OG 2.85Å; H571-S589 PolarHBondContact NE2-O 3.37Å; H571-S589 PolarHBondContact NE2-OG 3.07Å; H571-D593 WeakPolarHBondContact CB-OD2 3.5Å; H571-D593 IonicContact CE1-OD1 2.66Å; H571-D593 IonicContact CE1-OD2 3.32Å; H571-D593 IonicContact CG-OD2 2.85Å; H571-D593 VanDerWaalsContact ND1-CG 3.29Å; H571-D593 IonicContact ND1-OD1 3Å; H571-D593 PolarHBondContact ND1-OD1 2.88Å; H571-D593 IonicContact ND1-OD2 2.84Å; H571-D593 PolarHBondContact ND1-OD2 3.03Å; H571-M595 PolarHBondContact CE1-O 3.41Å
572	T	91.8	Very high	95.7	Very high	52 Å²	52	40.4 Å²	40.4	32%	0.319	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	128.6	-173	-55.1	0	0	0	0	113	T67 G569 S574	T67-T572 HydrophobicContact CG2-CG2 4.04Å; T67-T572 WeakPolarHBondContact CG2-O 3.37Å; G569-T572 PolarHBondContact O-OG1 3.07Å; T572-S574 PolarHBondContact O-N 3.07Å
573	M	93.1	Very high	95.7	Very high	103 Å²	103	36.8 Å²	36.8	51%	0.507	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	17	-176.3	-58.9	-178.2	65.9	0	0	115.3	T67 H69 H571	T67-M573 HydrophobicContact CG2-CB 4.12Å; T67-M573 HydrophobicContact CG2-CG 4.25Å; T67-M573 HydrophobicContact CG2-SD 4.14Å; H69-M573 WeakPolarHBondContact O-CE 3.19Å; H571-M573 PolarHBondContact O-N 3.49Å
574	S	95.4	Very high	95.8	Very high	9 Å²	9	32.4 Å²	32.4	6%	0.063	18%	0.177	C	C	.	.	S	Bend	trans	-133.9	133	-175.5	165.1	0	0	0	0	110.4	T550 H571 T572 Q592 D593	T550-S574 WeakPolarHBondContact CG2-O 3.47Å; H571-S574 CarbonylContact O-C 3.53Å; H571-S574 WeakPolarHBondContact O-CA 3.38Å; H571-S574 WeakPolarHBondContact O-CB 3.37Å; H571-S574 PolarHBondContact O-N 2.79Å; T572-S574 PolarHBondContact O-N 3.07Å; S574-Q592 PolarHBondContact OG-N 2.82Å; S574-D593 PolarHBondContact OG-N 2.86Å
575	Q	96.6	Very high	95.7	Very high	60 Å²	60	35.2 Å²	35.2	28%	0.28	19%	0.191	S	C	.	.			trans	-67.9	143.3	172.6	62.2	178	-17.7	0	0	110.8	N532 L548 T577 G591 Q592	N532-Q575 PolarHBondContact ND2-OE1 3.35Å; N532-Q575 VanDerWaalsContact ND2-OE1 3.16Å; L548-Q575 HydrophobicContact CB-CB 4.44Å; L548-Q575 HydrophobicContact CD1-CB 3.71Å; L548-Q575 HydrophobicContact CD1-CG 4.44Å; Q575-T577 HydrophobicContact CG-CG2 4.38Å; Q575-T577 PolarHBondContact O-N 3.43Å; Q575-G591 VanDerWaalsContact O-CA 3.25Å; Q575-G591 WeakPolarHBondContact O-CA 3.24Å; Q575-Q592 HydrophobicContact CG-CB 4.33Å; Q575-Q592 HydrophobicContact CG-CG 3.46Å; Q575-Q592 VanDerWaalsContact CG-CG 3.46Å; Q575-Q592 PolarHBondContact O-N 2.78Å
576	I	98.4	Very high	95.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	124.4	168.3	-52.1	-172	0	0	0	107.5	N532 S547 S551 I552 A570 H571 V590	N532-I576 VanDerWaalsContact CB-O 3.29Å; N532-I576 WeakPolarHBondContact CB-O 3.34Å; N532-I576 PolarHBondContact ND2-O 3.31Å; S547-I576 PolarHBondContact O-N 3.37Å; S547-I576 VanDerWaalsContact O-N 3.12Å; S551-I576 VanDerWaalsContact O-CD1 3.23Å; S551-I576 WeakPolarHBondContact O-CD1 3.36Å; I552-I576 HydrophobicContact CB-CD1 4.42Å; I552-I576 HydrophobicContact CD1-CD1 4.22Å; I552-I576 HydrophobicContact CG1-CD1 3.3Å; A570-I576 HydrophobicContact CB-CD1 4.06Å; H571-I576 HydrophobicContact CB-CG1 4.33Å; I576-V590 WeakPolarHBondContact CA-O 3.26Å; I576-V590 WeakPolarHBondContact CG2-O 3.18Å
577	T	98.3	Very high	95.7	Very high	25 Å²	25	33 Å²	33	15%	0.153	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-34.5	-176.7	51.4	0	0	0	0	111.5	V329 Q575 V590 Q592	V329-T577 WeakPolarHBondContact O-CB 3.48Å; V329-T577 PolarHBondContact O-OG1 3.14Å; Q575-T577 HydrophobicContact CG-CG2 4.38Å; Q575-T577 PolarHBondContact O-N 3.43Å; T577-V590 PolarHBondContact N-O 3.28Å; T577-V590 PolarHBondContact OG1-O 2.96Å; T577-V590 VanDerWaalsContact OG1-O 3.09Å; T577-Q592 HydrophobicContact CG2-CG 4Å
578	S	98.5	Very high	95.8	Very high	22 Å²	22	33 Å²	33	15%	0.154	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	153.8	-179.6	-167.6	0	0	0	0	111.1	V332 V590	V332-S578 PolarHBondContact N-OG 3.45Å; S578-V590 WeakPolarHBondContact O-CG2 3.26Å; S578-V590 PolarHBondContact O-N 2.86Å
579	I	98.4	Very high	96	Very high	8 Å²	8	24.8 Å²	24.8	4%	0.041	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	144.2	-179.7	-161.8	169.5	0	0	0	109.1	C533 A535 A544 I552 L587 V588	C533-I579 HydrophobicContact CB-CG2 4.19Å; A535-I579 HydrophobicContact CB-CG2 4.01Å; A544-I579 HydrophobicContact CB-CD1 3.84Å; I552-I579 HydrophobicContact CB-CD1 4.48Å; I552-I579 HydrophobicContact CD1-CD1 4.05Å; I552-I579 HydrophobicContact CG1-CD1 4.07Å; I552-I579 HydrophobicContact CG2-CD1 3.62Å; I579-L587 HydrophobicContact CD1-CD1 4.22Å; I579-L587 HydrophobicContact CD1-CD2 4.15Å; I579-L587 HydrophobicContact CG1-CD2 4.12Å; I579-V588 CarbonylContact C-O 3.39Å; I579-V588 VanDerWaalsContact CA-O 3.29Å; I579-V588 WeakPolarHBondContact CA-O 3.26Å; I579-V588 WeakPolarHBondContact CG1-O 3.2Å
580	D	98	Very high	96.3	Very high	28 Å²	28	23.5 Å²	23.5	15%	0.15	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	158.7	173.4	-154.9	-6.2	0	0	0	111.3	V332 A334 R336 L587 V588	V332-D580 HydrophobicContact CG1-CB 4.16Å; A334-D580 HydrophobicContact CB-CB 4.03Å; A334-D580 VanDerWaalsContact CB-OD2 3.26Å; A334-D580 WeakPolarHBondContact CB-OD2 3.2Å; A334-D580 PolarHBondContact N-OD2 3Å; R336-D580 IonicContact CZ-OD1 3.63Å; R336-D580 IonicContact NH2-OD1 3.42Å; R336-D580 PolarHBondContact NH2-OD1 2.59Å; R336-D580 IonicContact NH2-OD2 2.66Å; D580-L587 CarbonylContact O-C 3.53Å; D580-L587 WeakPolarHBondContact O-CA 3.31Å; D580-V588 PolarHBondContact N-O 3.47Å; D580-V588 PolarHBondContact O-N 3.01Å
581	W	97.7	Very high	96.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.4	176.2	-69.8	88.2	0	0	0	110.8	A334 R336 A535 A544 V554 D583 S584 T586 L587 L601 L603	A334-W581 WeakPolarHBondContact CB-O 3.26Å; R336-W581 PolarHBondContact NE-O 2.82Å; R336-W581 PolarHBondContact NH2-O 2.82Å; A535-W581 PolarHBondContact O-NE1 3.3Å; A544-W581 HydrophobicContact CB-CZ2 3.82Å; V554-W581 HydrophobicContact CG1-CH2 4.06Å; V554-W581 HydrophobicContact CG1-CZ2 4.08Å; W581-D583 VanDerWaalsContact CE3-O 3.24Å; W581-S584 VanDerWaalsContact CZ3-O 3.24Å; W581-S584 WeakPolarHBondContact CZ3-O 3.31Å; W581-T586 WeakPolarHBondContact CA-O 3.39Å; W581-L587 HydrophobicContact CB-CD2 4.46Å; W581-L587 HydrophobicContact CD2-CD2 3.25Å; W581-L587 HydrophobicContact CD2-CG 3.9Å; W581-L587 HydrophobicContact CE3-CD2 3.72Å; W581-L587 HydrophobicContact CE3-CG 3.82Å; W581-L587 HydrophobicContact CG-CD2 3.56Å; W581-L587 HydrophobicContact CH2-CD1 4.19Å; W581-L587 HydrophobicContact CH2-CD2 4.22Å; W581-L587 HydrophobicContact CH2-CG 4.02Å; W581-L587 HydrophobicContact CZ2-CD1 4.18Å; W581-L587 HydrophobicContact CZ2-CD2 3.8Å; W581-L587 HydrophobicContact CZ2-CG 4.07Å; W581-L587 HydrophobicContact CZ3-CD2 4.18Å; W581-L587 HydrophobicContact CZ3-CG 3.9Å; W581-L601 HydrophobicContact CH2-CD1 3.74Å; W581-L601 HydrophobicContact CZ3-CD1 3.97Å; W581-L603 HydrophobicContact CH2-CD1 3.87Å; W581-L603 HydrophobicContact CZ3-CD1 4.25Å
582	L	95.7	Very high	96.4	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.031	15%	0.145	C	C	.	.	S	Bend	trans	-74.9	-44.6	169.7	-71.4	172.9	0	0	0	110.9	A334 R336 T340 F341 T586 V588 Q598	A334-L582 HydrophobicContact CB-CD2 4Å; R336-L582 WeakPolarHBondContact CG-O 3.3Å; T340-L582 WeakPolarHBondContact O-CD2 3.44Å; F341-L582 HydrophobicContact CB-CD2 4.29Å; F341-L582 HydrophobicContact CD1-CD1 4.26Å; F341-L582 HydrophobicContact CD1-CD2 4.22Å; L582-T586 HydrophobicContact CB-CG2 4.26Å; L582-T586 HydrophobicContact CD1-CG2 3.85Å; L582-T586 PolarHBondContact N-O 3.5Å; L582-V588 HydrophobicContact CD1-CG2 3.52Å; L582-V588 HydrophobicContact CD2-CG2 4.38Å; L582-V588 HydrophobicContact CG-CG2 3.73Å; L582-Q598 HydrophobicContact CD1-CG 4.41Å
583	D	95.5	Very high	96.5	Very high	59 Å²	59	25 Å²	25	32%	0.316	13%	0.134	S	C	.	.	S	Bend	trans	-142.9	-166.6	177.6	65.5	53.7	0	0	0	109.8	P538 W581 N585 T586	P538-D583 WeakPolarHBondContact CD-O 3.2Å; W581-D583 VanDerWaalsContact CE3-O 3.24Å; D583-N585 PolarHBondContact O-N 3.34Å; D583-N585 WeakPolarHBondContact OD1-CA 3.33Å; D583-N585 PolarHBondContact OD1-N 2.96Å; D583-T586 WeakPolarHBondContact OD1-CB 3.09Å; D583-T586 PolarHBondContact OD1-N 2.84Å; D583-T586 PolarHBondContact OD1-OG1 3.34Å; D583-T586 WeakPolarHBondContact OD2-CB 3.28Å; D583-T586 PolarHBondContact OD2-OG1 3.44Å
584	S	95.3	Very high	96.5	Very high	37 Å²	37	20.2 Å²	20.2	26%	0.259	11%	0.111	S	C	.	.	S	Bend	trans	-72.3	-12.8	-177.2	-62.6	0	0	0	0	115	S537 C539 W581	S537-S584 WeakPolarHBondContact OG-CA 3.43Å; S537-S584 PolarHBondContact OG-O 3.35Å; C539-S584 WeakPolarHBondContact CB-OG 3.46Å; C539-S584 PolarHBondContact N-OG 3.14Å; W581-S584 VanDerWaalsContact CZ3-O 3.24Å; W581-S584 WeakPolarHBondContact CZ3-O 3.31Å
585	N	94.6	Very high	96.3	Very high	72 Å²	72	19.9 Å²	19.9	39%	0.385	11%	0.108	S	C	.	.	S	Bend	trans	-128.8	-11.7	-171.4	-68.3	46.7	0	0	0	112.3	D583 L601	D583-N585 PolarHBondContact O-N 3.34Å; D583-N585 WeakPolarHBondContact OD1-CA 3.33Å; D583-N585 PolarHBondContact OD1-N 2.96Å; N585-L601 PolarHBondContact ND2-O 3.12Å; N585-L601 WeakPolarHBondContact O-CB 3.01Å; N585-L601 WeakPolarHBondContact O-CG 3.37Å; N585-L601 PolarHBondContact O-N 3.34Å
586	T	96.1	Very high	96.2	Very high	11 Å²	11	17.3 Å²	17.3	7%	0.067	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.6	-176.5	-53.1	0	0	0	0	111.8	W581 L582 D583 Q598 W599	W581-T586 WeakPolarHBondContact CA-O 3.39Å; L582-T586 HydrophobicContact CB-CG2 4.26Å; L582-T586 HydrophobicContact CD1-CG2 3.85Å; L582-T586 PolarHBondContact N-O 3.5Å; D583-T586 WeakPolarHBondContact OD1-CB 3.09Å; D583-T586 PolarHBondContact OD1-N 2.84Å; D583-T586 PolarHBondContact OD1-OG1 3.34Å; D583-T586 WeakPolarHBondContact OD2-CB 3.28Å; D583-T586 PolarHBondContact OD2-OG1 3.44Å; T586-Q598 HydrophobicContact CG2-CG 3.61Å; T586-W599 CarbonylContact C-O 3.52Å; T586-W599 VanDerWaalsContact CA-O 3.27Å; T586-W599 WeakPolarHBondContact CA-O 3.46Å
587	L	96.6	Very high	96	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	152.2	174.6	-76.6	173	0	0	0	111.7	A544 I552 V554 I579 D580 W581 Q598 W599 L601	A544-L587 HydrophobicContact CB-CD1 3.77Å; A544-L587 HydrophobicContact CB-CD2 3.66Å; A544-L587 HydrophobicContact CB-CG 4.38Å; I552-L587 HydrophobicContact CG2-CD1 4.15Å; V554-L587 HydrophobicContact CG2-CD1 3.86Å; I579-L587 HydrophobicContact CD1-CD1 4.22Å; I579-L587 HydrophobicContact CD1-CD2 4.15Å; I579-L587 HydrophobicContact CG1-CD2 4.12Å; D580-L587 CarbonylContact O-C 3.53Å; D580-L587 WeakPolarHBondContact O-CA 3.31Å; W581-L587 HydrophobicContact CB-CD2 4.46Å; W581-L587 HydrophobicContact CD2-CD2 3.25Å; W581-L587 HydrophobicContact CD2-CG 3.9Å; W581-L587 HydrophobicContact CE3-CD2 3.72Å; W581-L587 HydrophobicContact CE3-CG 3.82Å; W581-L587 HydrophobicContact CG-CD2 3.56Å; W581-L587 HydrophobicContact CH2-CD1 4.19Å; W581-L587 HydrophobicContact CH2-CD2 4.22Å; W581-L587 HydrophobicContact CH2-CG 4.02Å; W581-L587 HydrophobicContact CZ2-CD1 4.18Å; W581-L587 HydrophobicContact CZ2-CD2 3.8Å; W581-L587 HydrophobicContact CZ2-CG 4.07Å; W581-L587 HydrophobicContact CZ3-CD2 4.18Å; W581-L587 HydrophobicContact CZ3-CG 3.9Å; L587-Q598 CarbonylContact O-C 3.57Å; L587-Q598 VanDerWaalsContact O-CA 3.25Å; L587-Q598 WeakPolarHBondContact O-CA 3.12Å; L587-W599 HydrophobicContact CB-CB 4.17Å; L587-W599 HydrophobicContact CB-CG 4.49Å; L587-W599 PolarHBondContact N-O 2.99Å; L587-W599 PolarHBondContact O-N 3.37Å; L587-L601 HydrophobicContact CD1-CD1 3.68Å; L587-L601 HydrophobicContact CG-CD1 4.16Å
588	V	97.4	Very high	95.8	Very high	1 Å²	1	18 Å²	18	1%	0.006	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.5	164.1	-176.4	0	0	0	0	108.5	V332 F341 I579 D580 L582 V596 R597 Q598	V332-V588 HydrophobicContact CG2-CB 4.37Å; V332-V588 HydrophobicContact CG2-CG1 3.87Å; F341-V588 HydrophobicContact CD1-CG1 4.29Å; F341-V588 HydrophobicContact CD1-CG2 3.74Å; F341-V588 HydrophobicContact CD2-CG1 4.22Å; F341-V588 HydrophobicContact CE1-CG1 4.31Å; F341-V588 HydrophobicContact CE1-CG2 4.02Å; F341-V588 HydrophobicContact CE2-CG1 4.27Å; F341-V588 HydrophobicContact CG-CG1 4.23Å; F341-V588 HydrophobicContact CG-CG2 4.27Å; F341-V588 HydrophobicContact CZ-CG1 4.3Å; I579-V588 CarbonylContact C-O 3.39Å; I579-V588 VanDerWaalsContact CA-O 3.29Å; I579-V588 WeakPolarHBondContact CA-O 3.26Å; I579-V588 WeakPolarHBondContact CG1-O 3.2Å; D580-V588 PolarHBondContact N-O 3.47Å; D580-V588 PolarHBondContact O-N 3.01Å; L582-V588 HydrophobicContact CD1-CG2 3.52Å; L582-V588 HydrophobicContact CD2-CG2 4.38Å; L582-V588 HydrophobicContact CG-CG2 3.73Å; V588-V596 HydrophobicContact CG1-CG1 3.54Å; V588-R597 CarbonylContact C-O 3.58Å; V588-R597 VanDerWaalsContact CA-O 3.29Å; V588-R597 WeakPolarHBondContact CA-O 3.34Å; V588-Q598 HydrophobicContact CG2-CB 4.48Å; V588-Q598 HydrophobicContact CG2-CG 4.38Å
589	S	98.1	Very high	95.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	150.2	175	67.4	0	0	0	0	111.4	H571 R597 W599	H571-S589 PolarHBondContact CD2-OG 2.85Å; H571-S589 PolarHBondContact NE2-O 3.37Å; H571-S589 PolarHBondContact NE2-OG 3.07Å; S589-R597 PolarHBondContact N-O 2.56Å; S589-R597 PolarHBondContact O-N 2.86Å; S589-W599 PolarHBondContact OG-NE1 3.35Å
590	V	97.8	Very high	95.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.7	177.5	-66.1	0	0	0	0	110.7	V329 V332 T343 I576 T577 S578 V596	V329-V590 HydrophobicContact CB-CB 3.93Å; V329-V590 HydrophobicContact CB-CG1 4.32Å; V329-V590 HydrophobicContact CG1-CB 3.56Å; V329-V590 HydrophobicContact CG1-CG1 3.62Å; V329-V590 HydrophobicContact CG1-CG2 3.98Å; V332-V590 HydrophobicContact CB-CG1 4Å; V332-V590 HydrophobicContact CB-CG2 3.97Å; V332-V590 HydrophobicContact CG1-CG2 4.06Å; V332-V590 HydrophobicContact CG2-CG1 4.44Å; T343-V590 HydrophobicContact CG2-CG1 4.08Å; I576-V590 WeakPolarHBondContact CA-O 3.26Å; I576-V590 WeakPolarHBondContact CG2-O 3.18Å; T577-V590 PolarHBondContact N-O 3.28Å; T577-V590 PolarHBondContact OG1-O 2.96Å; T577-V590 VanDerWaalsContact OG1-O 3.09Å; S578-V590 WeakPolarHBondContact O-CG2 3.26Å; S578-V590 PolarHBondContact O-N 2.86Å; V590-V596 HydrophobicContact CG1-CB 4.18Å; V590-V596 HydrophobicContact CG1-CG1 3.77Å; V590-V596 HydrophobicContact CG1-CG2 3.98Å
591	G	96.5	Very high	95.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	178.2	-174.3	0	0	0	0	0	115.2	V329 Q575 D593 A594	V329-G591 PolarHBondContact N-O 3.31Å; V329-G591 VanDerWaalsContact N-O 3.08Å; V329-G591 CarbonylContact O-C 3.55Å; V329-G591 VanDerWaalsContact O-O 3.12Å; Q575-G591 VanDerWaalsContact O-CA 3.25Å; Q575-G591 WeakPolarHBondContact O-CA 3.24Å; G591-D593 PolarHBondContact O-N 2.84Å; G591-A594 PolarHBondContact O-N 2.98Å
592	Q	95.1	Very high	95	Very high	67 Å²	67	22.6 Å²	22.6	31%	0.313	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-17.5	176.4	-71.1	-70.4	-41.6	0	0	113.8	P328 S574 Q575 T577 A594	P328-Q592 VanDerWaalsContact CG-OE1 3.3Å; S574-Q592 PolarHBondContact OG-N 2.82Å; Q575-Q592 HydrophobicContact CG-CB 4.33Å; Q575-Q592 HydrophobicContact CG-CG 3.46Å; Q575-Q592 VanDerWaalsContact CG-CG 3.46Å; Q575-Q592 PolarHBondContact O-N 2.78Å; T577-Q592 HydrophobicContact CG2-CG 4Å; Q592-A594 PolarHBondContact O-N 3.16Å
593	D	93.5	Very high	94.4	Very high	17 Å²	17	26.3 Å²	26.3	9%	0.091	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	2.5	171	57.3	2.6	0	0	0	113.8	A29 H571 S574 G591 M595	A29-D593 WeakPolarHBondContact CB-O 3.42Å; H571-D593 WeakPolarHBondContact CB-OD2 3.5Å; H571-D593 IonicContact CE1-OD1 2.66Å; H571-D593 IonicContact CE1-OD2 3.32Å; H571-D593 IonicContact CG-OD2 2.85Å; H571-D593 VanDerWaalsContact ND1-CG 3.29Å; H571-D593 IonicContact ND1-OD1 3Å; H571-D593 PolarHBondContact ND1-OD1 2.88Å; H571-D593 IonicContact ND1-OD2 2.84Å; H571-D593 PolarHBondContact ND1-OD2 3.03Å; S574-D593 PolarHBondContact OG-N 2.86Å; G591-D593 PolarHBondContact O-N 2.84Å; D593-M595 HydrophobicContact CB-CG 4.32Å; D593-M595 HydrophobicContact CB-SD 4.49Å; D593-M595 PolarHBondContact O-N 3.28Å; D593-M595 VanDerWaalsContact O-N 3.13Å; D593-M595 PolarHBondContact OD1-N 2.97Å
594	A	93.5	Very high	94.4	Very high	3 Å²	3	24.7 Å²	24.7	3%	0.025	14%	0.139	C	C	.	.	S	Bend	trans	63.4	11	-178	0	0	0	0	0	114.4	A29 H325 K327 G591 Q592	A29-A594 HydrophobicContact CB-CB 3.68Å; H325-A594 HydrophobicContact CB-CB 4.5Å; K327-A594 VanDerWaalsContact C-CB 3.45Å; K327-A594 WeakPolarHBondContact O-CB 3.36Å; G591-A594 PolarHBondContact O-N 2.98Å; Q592-A594 PolarHBondContact O-N 3.16Å
595	M	91.8	Very high	94.3	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.132	C	C	.	.			trans	-90.1	151.6	-179.8	-63.5	178.5	-168.8	0	0	110.8	A29 V65 H571 D593	A29-M595 HydrophobicContact CB-CG 4.33Å; V65-M595 HydrophobicContact CB-CE 4.28Å; V65-M595 HydrophobicContact CG1-CE 3.35Å; V65-M595 HydrophobicContact CG1-SD 4.09Å; V65-M595 HydrophobicContact CG2-CE 3.88Å; V65-M595 HydrophobicContact CG2-SD 4.05Å; H571-M595 PolarHBondContact CE1-O 3.41Å; D593-M595 HydrophobicContact CB-CG 4.32Å; D593-M595 HydrophobicContact CB-SD 4.49Å; D593-M595 PolarHBondContact O-N 3.28Å; D593-M595 VanDerWaalsContact O-N 3.13Å; D593-M595 PolarHBondContact OD1-N 2.97Å
596	V	93.6	Very high	94.3	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.042	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.2	166.2	-168.8	0	0	0	0	107.5	F27 F341 T343 V588 V590	F27-V596 HydrophobicContact CB-CB 4.01Å; F27-V596 HydrophobicContact CD2-CB 4.11Å; F27-V596 HydrophobicContact CD2-CG1 4.34Å; F27-V596 HydrophobicContact CG-CB 4.37Å; F27-V596 PolarHBondContact N-O 2.86Å; F27-V596 PolarHBondContact O-N 2.81Å; F341-V596 HydrophobicContact CD2-CG1 4.42Å; F341-V596 HydrophobicContact CE2-CG1 3.59Å; F341-V596 HydrophobicContact CZ-CG1 3.89Å; T343-V596 HydrophobicContact CG2-CG1 4.18Å; T343-V596 HydrophobicContact CG2-CG2 3.83Å; V588-V596 HydrophobicContact CG1-CG1 3.54Å; V590-V596 HydrophobicContact CG1-CB 4.18Å; V590-V596 HydrophobicContact CG1-CG1 3.77Å; V590-V596 HydrophobicContact CG1-CG2 3.98Å
597	R	94.2	Very high	94.2	Very high	19 Å²	19	21.9 Å²	21.9	7%	0.072	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.4	-177.9	-66.6	177.5	173.7	-129.3	-9.5	109.8	E24 S25 V26 A570 V588 S589 W599	E24-R597 WeakPolarHBondContact OE1-CD 3.49Å; E24-R597 IonicContact OE1-CZ 3.74Å; E24-R597 IonicContact OE1-NE 3Å; E24-R597 PolarHBondContact OE1-NE 3.21Å; E24-R597 IonicContact OE1-NH1 2.71Å; E24-R597 PolarHBondContact OE1-NH1 2.77Å; E24-R597 IonicContact OE2-NH1 2.72Å; S25-R597 WeakPolarHBondContact O-CA 3.41Å; V26-R597 HydrophobicContact CG1-CG 4.39Å; V26-R597 HydrophobicContact CG2-CG 4.34Å; A570-R597 WeakPolarHBondContact O-CD 3.35Å; A570-R597 PolarHBondContact O-NE 3.09Å; A570-R597 VanDerWaalsContact O-NE 3.11Å; A570-R597 PolarHBondContact O-NH1 3.38Å; V588-R597 CarbonylContact C-O 3.58Å; V588-R597 VanDerWaalsContact CA-O 3.29Å; V588-R597 WeakPolarHBondContact CA-O 3.34Å; S589-R597 PolarHBondContact N-O 2.56Å; S589-R597 PolarHBondContact O-N 2.86Å; R597-W599 HydrophobicContact CB-CZ2 3.66Å; R597-W599 HydrophobicContact CG-CZ2 4.23Å
598	Q	94.8	Very high	94.1	Very high	19 Å²	19	23.3 Å²	23.3	9%	0.089	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.6	174.5	-179.6	175.7	-19	0	0	109	E24 S25 L582 T586 L587 V588	E24-Q598 CarbonylContact C-O 3.5Å; E24-Q598 WeakPolarHBondContact CA-O 3.33Å; S25-Q598 PolarHBondContact N-O 3.23Å; S25-Q598 PolarHBondContact O-N 3.1Å; L582-Q598 HydrophobicContact CD1-CG 4.41Å; T586-Q598 HydrophobicContact CG2-CG 3.61Å; L587-Q598 CarbonylContact O-C 3.57Å; L587-Q598 VanDerWaalsContact O-CA 3.25Å; L587-Q598 WeakPolarHBondContact O-CA 3.12Å; V588-Q598 HydrophobicContact CG2-CB 4.48Å; V588-Q598 HydrophobicContact CG2-CG 4.38Å
599	W	95.3	Very high	93.8	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.015	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	115	-175.6	-45	85.4	0	0	0	109.3	Y22 A23 E24 I552 I567 A570 T586 L587 S589 R597 L601	Y22-W599 AromaticContact CD2-CE3 3.88Å; Y22-W599 HydrophobicContact CD2-CE3 3.88Å; Y22-W599 HydrophobicContact CD2-CZ3 4.17Å; Y22-W599 HydrophobicContact CE2-CE3 4.14Å; Y22-W599 AromaticContact CE2-CZ3 3.97Å; Y22-W599 HydrophobicContact CE2-CZ3 3.97Å; A23-W599 CarbonylContact O-C 3.5Å; A23-W599 WeakPolarHBondContact O-CA 3.36Å; E24-W599 HydrophobicContact CB-CE3 4.02Å; E24-W599 HydrophobicContact CB-CZ3 3.92Å; E24-W599 HydrophobicContact CG-CE3 3.97Å; E24-W599 HydrophobicContact CG-CH2 4.03Å; E24-W599 HydrophobicContact CG-CZ3 3.68Å; E24-W599 WeakPolarHBondContact OE1-CH2 3.35Å; I552-W599 HydrophobicContact CD1-CD2 4.35Å; I552-W599 HydrophobicContact CD1-CG 4.41Å; I552-W599 HydrophobicContact CD1-CZ2 4.13Å; I552-W599 VanDerWaalsContact CD1-NE1 3.29Å; I567-W599 HydrophobicContact CD1-CB 4.49Å; I567-W599 HydrophobicContact CD1-CD2 4.13Å; I567-W599 HydrophobicContact CD1-CE3 4.04Å; I567-W599 HydrophobicContact CD1-CG 4.35Å; I567-W599 HydrophobicContact CG2-CE3 4.04Å; I567-W599 HydrophobicContact CG2-CH2 3.89Å; I567-W599 HydrophobicContact CG2-CZ2 4.48Å; I567-W599 HydrophobicContact CG2-CZ3 3.64Å; A570-W599 HydrophobicContact CB-CH2 3.96Å; A570-W599 HydrophobicContact CB-CZ2 3.66Å; T586-W599 CarbonylContact C-O 3.52Å; T586-W599 VanDerWaalsContact CA-O 3.27Å; T586-W599 WeakPolarHBondContact CA-O 3.46Å; L587-W599 HydrophobicContact CB-CB 4.17Å; L587-W599 HydrophobicContact CB-CG 4.49Å; L587-W599 PolarHBondContact N-O 2.99Å; L587-W599 PolarHBondContact O-N 3.37Å; S589-W599 PolarHBondContact OG-NE1 3.35Å; R597-W599 HydrophobicContact CB-CZ2 3.66Å; R597-W599 HydrophobicContact CG-CZ2 4.23Å; W599-L601 HydrophobicContact CB-CD2 3.96Å
600	S	94.5	Very high	93.5	Very high	54 Å²	54	26.6 Å²	26.6	38%	0.378	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	115.5	169.8	-65.2	0	0	0	0	108.8	Y22 A23	Y22-S600 CarbonylContact C-O 3.55Å; Y22-S600 WeakPolarHBondContact CA-O 3.44Å; A23-S600 PolarHBondContact N-O 2.88Å; A23-S600 PolarHBondContact O-N 2.78Å
601	L	94.1	Very high	93.2	Very high	7 Å²	7	28.6 Å²	28.6	4%	0.037	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	142.9	-172.5	-49.6	-179.9	0	0	0	111.4	V554 L565 I567 W581 N585 L587 W599 L603	V554-L601 HydrophobicContact CG2-CD1 3.84Å; L565-L601 HydrophobicContact CD2-CD1 4.43Å; L565-L601 HydrophobicContact CD2-CD2 4.16Å; I567-L601 HydrophobicContact CD1-CD2 3.95Å; W581-L601 HydrophobicContact CH2-CD1 3.74Å; W581-L601 HydrophobicContact CZ3-CD1 3.97Å; N585-L601 PolarHBondContact ND2-O 3.12Å; N585-L601 WeakPolarHBondContact O-CB 3.01Å; N585-L601 WeakPolarHBondContact O-CG 3.37Å; N585-L601 PolarHBondContact O-N 3.34Å; L587-L601 HydrophobicContact CD1-CD1 3.68Å; L587-L601 HydrophobicContact CG-CD1 4.16Å; W599-L601 HydrophobicContact CB-CD2 3.96Å; L601-L603 HydrophobicContact CB-CD1 4.02Å; L601-L603 HydrophobicContact CB-CD2 4.07Å; L601-L603 HydrophobicContact CB-CG 3.69Å; L601-L603 HydrophobicContact CD1-CD1 3.89Å; L601-L603 HydrophobicContact CD1-CD2 4.21Å; L601-L603 HydrophobicContact CD1-CG 4.24Å
602	T	90.2	Very high	92.9	Very high	90 Å²	90	31 Å²	31	55%	0.552	17%	0.171	S	C	*	.			trans	-104.9	97	168	-50.8	0	0	0	0	107.3	R21	R21-T602 PolarHBondContact O-N 3.31Å
603	L	84.5	Confident	92.7	Very high	84 Å²	84	27.7 Å²	27.7	44%	0.44	16%	0.159	S	C	.	.			trans	-110.3	0	-170.8	-62.1	174.1	0	0	0	113.5	Y542 V554 L565 W581 L601	Y542-L603 HydrophobicContact CD1-CD1 4.3Å; Y542-L603 HydrophobicContact CD2-CD1 3.57Å; Y542-L603 HydrophobicContact CE1-CB 4.2Å; Y542-L603 HydrophobicContact CE1-CD1 4.34Å; Y542-L603 HydrophobicContact CE2-CB 3.8Å; Y542-L603 HydrophobicContact CE2-CD1 3.59Å; Y542-L603 HydrophobicContact CE2-CG 4.34Å; Y542-L603 HydrophobicContact CG-CD1 3.93Å; Y542-L603 WeakPolarHBondContact OH-CB 3.34Å; Y542-L603 PolarHBondContact OH-OXT 2.79Å; V554-L603 HydrophobicContact CG1-CD1 4.32Å; V554-L603 HydrophobicContact CG1-CD2 4.24Å; L565-L603 HydrophobicContact CD2-CD2 3.75Å; W581-L603 HydrophobicContact CH2-CD1 3.87Å; W581-L603 HydrophobicContact CZ3-CD1 4.25Å; L601-L603 HydrophobicContact CB-CD1 4.02Å; L601-L603 HydrophobicContact CB-CD2 4.07Å; L601-L603 HydrophobicContact CB-CG 3.69Å; L601-L603 HydrophobicContact CD1-CD1 3.89Å; L601-L603 HydrophobicContact CD1-CD2 4.21Å; L601-L603 HydrophobicContact CD1-CG 4.24Å

Retrieved 603 of 603 residues in 754.8 ms (Link to these results)

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