A0A077YVX8_TRITR Loading...

Target of rapamycin complex subunit lst8

Subunit of TORC1 and TORC2, which regulate cell growth and survival in response to nutrient and hormonal signals.

AlphaFold DB , UniProt , Accession A0A077YVX8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 334 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	36.3	Very low	44.3	Very low	235 Å²	235	124 Å²	124	100%	1.158	72%	0.722	S	S	*	*				0	131.3	0	-146.5	-176.6	-55.5	0	0	105.3
2	L	38	Very low	44.3	Very low	160 Å²	160	125 Å²	125	84%	0.838	71%	0.714	S	S	*	*			trans	98.3	70.3	-160.7	-56.8	159.8	0	0	0	112.4
3	C	38.2	Very low	43.9	Very low	141 Å²	141	124.8 Å²	124.8	95%	0.953	71%	0.709	S	S	*	*			trans	-129.2	43.2	163.7	-147.5	0	0	0	0	108.7
4	A	46.2	Very low	43.9	Very low	72 Å²	72	128.6 Å²	128.6	60%	0.595	72%	0.718	S	S	*	*			trans	-130.9	2.6	-170.1	0	0	0	0	0	115.5
5	D	47.9	Very low	43.8	Very low	124 Å²	124	125.5 Å²	125.5	66%	0.663	71%	0.708	S	S	*	*	S	Bend	trans	-93.1	3.2	-175.4	-77.6	-20.6	0	0	0	115.2
6	V	48.7	Very low	43.4	Very low	124 Å²	124	126.3 Å²	126.3	75%	0.752	71%	0.709	S	S	*	*	S	Bend	trans	-90.6	-20.1	-178.1	-170.6	0	0	0	0	112.4
7	A	49.1	Very low	43.2	Very low	70 Å²	70	130.4 Å²	130.4	58%	0.579	72%	0.717	S	S	*	*	S	Bend	trans	-79.3	-33.7	-176.4	0	0	0	0	0	113.5	N9 L10	A7-N9 VanDerWaalsContact C-N 3.34Å; A7-N9 PolarHBondContact O-N 3.01Å; A7-L10 PolarHBondContact O-N 2.73Å
8	D	48.1	Very low	42.9	Very low	113 Å²	113	129.9 Å²	129.9	60%	0.604	72%	0.719	S	S	*	*	H	α-helix	trans	-74.2	-21.9	-174.6	-79.9	-12.9	0	0	0	114	L10 T11	D8-L10 VanDerWaalsContact C-N 3.35Å; D8-L10 PolarHBondContact O-N 2.89Å; D8-T11 PolarHBondContact O-OG1 3.29Å
9	N	44.7	Very low	42.4	Very low	106 Å²	106	129.1 Å²	129.1	57%	0.567	72%	0.719	S	S	*	*	H	α-helix	trans	-74.4	-22.3	177.6	-84.9	-20.8	0	0	0	113.7	A7	A7-N9 VanDerWaalsContact C-N 3.34Å; A7-N9 PolarHBondContact O-N 3.01Å
10	L	43.6	Very low	42.1	Very low	127 Å²	127	131.7 Å²	131.7	67%	0.665	73%	0.726	S	S	*	*	H	α-helix	trans	-77.7	-30	177.7	-82.5	158.6	0	0	0	112	A7 D8	A7-L10 PolarHBondContact O-N 2.73Å; D8-L10 VanDerWaalsContact C-N 3.35Å; D8-L10 PolarHBondContact O-N 2.89Å
11	T	46.7	Very low	41.9	Very low	92 Å²	92	134.3 Å²	134.3	56%	0.564	73%	0.73	S	S	*	*	H	α-helix	trans	-76.6	-28.1	176.8	36	0	0	0	0	113.5	D8	D8-T11 PolarHBondContact O-OG1 3.29Å
12	Q	44.6	Very low	42	Very low	136 Å²	136	126.5 Å²	126.5	64%	0.636	70%	0.697	S	S	*	*	H	α-helix	trans	-72.7	-31.5	176	-95.3	-176.5	0.3	0	0	113.2	Q14 S15	Q12-Q14 VanDerWaalsContact C-N 3.28Å; Q12-Q14 PolarHBondContact O-N 3.39Å; Q12-S15 PolarHBondContact O-N 3.45Å; Q12-S15 PolarHBondContact O-OG 3.44Å
13	L	38.5	Very low	42.5	Very low	123 Å²	123	127 Å²	127	64%	0.644	70%	0.695	S	S	*	*	H	α-helix	trans	-70.8	-18.9	-179.8	-81.9	161.5	0	0	0	114.2	S15 L16	L13-S15 VanDerWaalsContact C-N 3.35Å; L13-L16 HydrophobicContact CD2-CD1 4.47Å
14	Q	44.5	Very low	43.2	Very low	178 Å²	178	125.2 Å²	125.2	83%	0.832	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-1.9	176.3	-71.7	-174	-17.5	0	0	114.3	Q12	Q12-Q14 VanDerWaalsContact C-N 3.28Å; Q12-Q14 PolarHBondContact O-N 3.39Å
15	S	42.1	Very low	44.6	Very low	82 Å²	82	127.1 Å²	127.1	57%	0.573	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	2.9	-178.3	72.2	0	0	0	0	114.9	Q12 L13 K17	Q12-S15 PolarHBondContact O-N 3.45Å; Q12-S15 PolarHBondContact O-OG 3.44Å; L13-S15 VanDerWaalsContact C-N 3.35Å; S15-K17 PolarHBondContact O-N 3.41Å
16	L	37.1	Very low	46.7	Very low	137 Å²	137	123 Å²	123	72%	0.717	65%	0.648	S	S	*	*			trans	-68.1	80.8	164.2	-78.6	158.6	0	0	0	108.2	L13 V18	L13-L16 HydrophobicContact CD2-CD1 4.47Å; L16-V18 VanDerWaalsContact C-N 3.3Å; L16-V18 PolarHBondContact O-N 3.49Å
17	K	40.6	Very low	48.9	Very low	197 Å²	197	117.4 Å²	117.4	86%	0.857	61%	0.614	S	S	*	*			trans	-51.8	102.9	160.1	-82	-177.8	172.9	-174.8	0	106	S15 P19	S15-K17 PolarHBondContact O-N 3.41Å; K17-P19 VanDerWaalsContact O-N 3.14Å
18	V	37.1	Very low	51.2	Low	122 Å²	122	114.1 Å²	114.1	74%	0.739	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-46.1	123.2	161.4	179.4	0	0	0	0	104.8	L16 E20	L16-V18 VanDerWaalsContact C-N 3.3Å; L16-V18 PolarHBondContact O-N 3.49Å; V18-E20 PolarHBondContact O-N 2.7Å
19	P	34.4	Very low	53.6	Low	113 Å²	113	108.7 Å²	108.7	73%	0.734	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-52.8	119	177.9	-10.9	17.7	0	0	0	106.1	K17 K21	K17-P19 VanDerWaalsContact O-N 3.14Å; P19-K21 PolarHBondContact O-N 3.02Å
20	E	36.4	Very low	56.2	Low	181 Å²	181	103.7 Å²	103.7	85%	0.846	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-47.1	121.1	171.6	-84.3	172.8	160.6	0	0	105.6	V18	V18-E20 PolarHBondContact O-N 2.7Å
21	K	36.3	Very low	58.8	Low	188 Å²	188	97.6 Å²	97.6	82%	0.817	50%	0.499	S	S	*	.			trans	-45.4	122.9	173.6	-89.5	-177.5	173.1	-178.7	0	105.4	P19 E23	P19-K21 PolarHBondContact O-N 3.02Å; K21-E23 PolarHBondContact O-N 3.37Å
22	P	38.9	Very low	61.1	Low	70 Å²	70	93.2 Å²	93.2	46%	0.455	47%	0.472	S	S	.	.			trans	-51.5	113.3	179.1	19.8	-31.5	0	0	0	106.5	D24 F332	P22-D24 PolarHBondContact O-N 3.11Å; P22-F332 HydrophobicContact CB-CB 3.8Å; P22-F332 HydrophobicContact CB-CD2 3.73Å; P22-F332 HydrophobicContact CB-CE2 4.42Å; P22-F332 HydrophobicContact CB-CG 3.78Å; P22-F332 HydrophobicContact CG-CB 3.4Å; P22-F332 HydrophobicContact CG-CD2 4.3Å; P22-F332 HydrophobicContact CG-CG 3.98Å
23	E	48.2	Very low	63.6	Low	170 Å²	170	91.1 Å²	91.1	79%	0.794	46%	0.459	S	S	*	.			trans	-51.4	128.2	-172.8	-69.5	-175.5	151.9	0	0	107.7	K21 R25	K21-E23 PolarHBondContact O-N 3.37Å; E23-R25 VanDerWaalsContact C-N 3.31Å; E23-R25 PolarHBondContact O-N 2.9Å
24	D	53.5	Low	66.3	Low	104 Å²	104	86.4 Å²	86.4	56%	0.556	44%	0.435	S	S	*	.			trans	-53.8	99.9	174.4	-83.4	-30.7	0	0	0	107.5	P22 S26 R331	P22-D24 PolarHBondContact O-N 3.11Å; D24-S26 VanDerWaalsContact C-N 3.32Å; D24-S26 PolarHBondContact O-N 3.44Å; D24-R331 WeakPolarHBondContact OD1-CA 3.47Å
25	R	75.5	Confident	68.7	Low	112 Å²	112	81.2 Å²	81.2	42%	0.423	41%	0.41	S	S	.	.			trans	-89.3	78.7	-172.2	-166.2	178.9	179	-170.4	-1.9	108.9	E23 I27 L83 F332	E23-R25 VanDerWaalsContact C-N 3.31Å; E23-R25 PolarHBondContact O-N 2.9Å; R25-I27 HydrophobicContact CG-CG1 4.48Å; R25-L83 PolarHBondContact NH2-O 3.08Å; R25-F332 HydrophobicContact CB-CE2 4.27Å
26	S	91.7	Very high	71.3	Confident	37 Å²	37	78.3 Å²	78.3	26%	0.259	39%	0.389	S	S	.	.			trans	-74.4	127.7	173	-62.9	0	0	0	0	110.9	D24 R328 D329	D24-S26 VanDerWaalsContact C-N 3.32Å; D24-S26 PolarHBondContact O-N 3.44Å; S26-R328 CarbonylContact C-O 3.54Å; S26-R328 WeakPolarHBondContact CA-O 3.45Å; S26-D329 VanDerWaalsContact OG-CG 3.28Å; S26-D329 PolarHBondContact OG-OD1 2.83Å
27	I	95.8	Very high	74.2	Confident	8 Å²	8	71.8 Å²	71.8	4%	0.041	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.3	-177.2	-63.2	168.7	0	0	0	107.5	R25 L39 V63 G67 L83 F327 R328	R25-I27 HydrophobicContact CG-CG1 4.48Å; I27-L39 HydrophobicContact CG2-CD1 3.75Å; I27-V63 HydrophobicContact CB-CG1 4.43Å; I27-V63 HydrophobicContact CB-CG2 4.33Å; I27-V63 HydrophobicContact CD1-CG1 3.84Å; I27-V63 HydrophobicContact CG2-CG1 4.15Å; I27-V63 HydrophobicContact CG2-CG2 3.61Å; I27-G67 WeakPolarHBondContact CD1-O 3.39Å; I27-L83 HydrophobicContact CD1-CD1 3.99Å; I27-L83 HydrophobicContact CG2-CD1 3.94Å; I27-F327 VanDerWaalsContact O-CA 3.31Å; I27-F327 WeakPolarHBondContact O-CA 3.12Å; I27-R328 PolarHBondContact N-O 3.11Å; I27-R328 PolarHBondContact O-N 2.69Å
28	L	97.8	Very high	76.9	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.7	170.4	176.9	63.4	0	0	0	109.4	L39 W40 I42 F293 L301 Y315 L325 F327	L28-L39 WeakPolarHBondContact O-CD1 3.38Å; L28-W40 HydrophobicContact CB-CB 4.2Å; L28-W40 HydrophobicContact CD2-CB 3.86Å; L28-W40 HydrophobicContact CD2-CG 4.27Å; L28-W40 HydrophobicContact CG-CB 4.05Å; L28-W40 HydrophobicContact CG-CG 4.32Å; L28-W40 PolarHBondContact O-N 3.21Å; L28-I42 HydrophobicContact CB-CG1 4.3Å; L28-F293 HydrophobicContact CD1-CD1 4.04Å; L28-F293 HydrophobicContact CD1-CD2 4.49Å; L28-F293 HydrophobicContact CD1-CE1 4.23Å; L28-F293 HydrophobicContact CD1-CG 4.17Å; L28-F293 HydrophobicContact CD2-CD1 3.85Å; L28-F293 HydrophobicContact CD2-CE1 3.44Å; L28-F293 VanDerWaalsContact CD2-CE1 3.44Å; L28-F293 HydrophobicContact CD2-CZ 4.05Å; L28-F293 HydrophobicContact CG-CE1 4.43Å; L28-L301 HydrophobicContact CD1-CD2 4.33Å; L28-Y315 HydrophobicContact CD2-CD1 4.19Å; L28-Y315 HydrophobicContact CD2-CE1 3.77Å; L28-Y315 HydrophobicContact CD2-CE2 4.45Å; L28-L325 HydrophobicContact CD1-CD1 4.17Å; L28-L325 HydrophobicContact CD1-CD2 4.1Å; L28-L325 HydrophobicContact CD1-CG 4.08Å; L28-F327 HydrophobicContact CB-CD2 4.18Å; L28-F327 HydrophobicContact CD1-CB 4.37Å; L28-F327 HydrophobicContact CD1-CD2 4.17Å
29	A	98.4	Very high	79.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.6	176.2	0	0	0	0	0	112.1	K38 L39 L70 L325 A326	A29-K38 CarbonylContact C-O 3.53Å; A29-K38 WeakPolarHBondContact CA-O 3.26Å; A29-L39 HydrophobicContact CB-CD1 4.41Å; A29-L70 HydrophobicContact CB-CD1 3.84Å; A29-L70 HydrophobicContact CB-CD2 3.6Å; A29-L70 HydrophobicContact CB-CG 4.41Å; A29-L325 WeakPolarHBondContact O-CA 3.48Å; A29-A326 PolarHBondContact N-O 3.09Å; A29-A326 PolarHBondContact O-N 3.49Å
30	S	98.7	Very high	82.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	158.6	179.1	67	0	0	0	0	112.7	V37 K38 W40 H318 A324	S30-V37 CarbonylContact O-C 3.55Å; S30-V37 VanDerWaalsContact O-CA 3.25Å; S30-V37 WeakPolarHBondContact O-CA 3.09Å; S30-K38 PolarHBondContact N-O 2.7Å; S30-K38 PolarHBondContact O-N 2.94Å; S30-W40 PolarHBondContact OG-NE1 3.16Å; S30-H318 PolarHBondContact OG-CD2 3.12Å; S30-H318 PolarHBondContact OG-NE2 2.97Å; S30-A324 WeakPolarHBondContact CA-O 3.46Å
31	G	98.1	Very high	85.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	163.9	176.6	0	0	0	0	0	111.6	T36 T323 A324	G31-T36 WeakPolarHBondContact CA-O 3.34Å; G31-T323 PolarHBondContact O-N 2.76Å; G31-A324 PolarHBondContact N-O 2.84Å; G31-A324 VanDerWaalsContact N-O 3.08Å; G31-A324 PolarHBondContact O-N 3.15Å
32	G	95.8	Very high	88.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	-136.8	177	0	0	0	0	0	114.4	D34 Q57 V58 A321 T323	G32-D34 VanDerWaalsContact C-N 3.3Å; G32-D34 PolarHBondContact O-N 2.92Å; G32-Q57 WeakPolarHBondContact O-CA 3.47Å; G32-V58 PolarHBondContact O-N 2.91Å; G32-A321 WeakPolarHBondContact CA-O 3.41Å; G32-T323 VanDerWaalsContact CA-OG1 3.27Å; G32-T323 WeakPolarHBondContact CA-OG1 3.4Å
33	Y	96.9	Very high	90.7	Very high	92 Å²	92	40.2 Å²	40.2	36%	0.361	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-2.9	-169.5	-78.7	-79.6	0	0	0	115.3	H35 Q57 R320 A321 T323	Y33-H35 VanDerWaalsContact C-N 3.3Å; Y33-Q57 HydrophobicContact CD1-CB 3.76Å; Y33-Q57 HydrophobicContact CD1-CG 4.35Å; Y33-Q57 HydrophobicContact CE1-CB 3.91Å; Y33-Q57 HydrophobicContact CE1-CG 3.98Å; Y33-Q57 HydrophobicContact CG-CB 4.24Å; Y33-R320 WeakPolarHBondContact O-CD 3.5Å; Y33-R320 PolarHBondContact O-NH1 3.45Å; Y33-A321 HydrophobicContact CD2-CB 3.8Å; Y33-A321 PolarHBondContact N-O 2.68Å; Y33-T323 HydrophobicContact CD2-CG2 3.64Å; Y33-T323 HydrophobicContact CE2-CG2 3.42Å; Y33-T323 VanDerWaalsContact CE2-CG2 3.42Å
34	D	95.4	Very high	92.8	Very high	24 Å²	24	35.7 Å²	35.7	13%	0.128	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	9.3	174.8	69.2	4.5	0	0	0	113.6	G32 T36 H318 Q319 R320	G32-D34 VanDerWaalsContact C-N 3.3Å; G32-D34 PolarHBondContact O-N 2.92Å; D34-T36 VanDerWaalsContact CG-OG1 3.32Å; D34-T36 PolarHBondContact O-N 3.43Å; D34-T36 PolarHBondContact OD1-N 3.25Å; D34-T36 PolarHBondContact OD1-OG1 2.88Å; D34-T36 PolarHBondContact OD2-OG1 2.83Å; D34-H318 VanDerWaalsContact CG-ND1 3.28Å; D34-H318 IonicContact OD1-CE1 3.65Å; D34-H318 IonicContact OD1-ND1 3.87Å; D34-H318 PolarHBondContact OD1-ND1 3.38Å; D34-H318 VanDerWaalsContact OD1-ND1 3.13Å; D34-H318 WeakPolarHBondContact OD2-CA 3.49Å; D34-H318 WeakPolarHBondContact OD2-CB 3.49Å; D34-H318 IonicContact OD2-CE1 2.79Å; D34-H318 IonicContact OD2-CG 3.91Å; D34-H318 IonicContact OD2-ND1 3.7Å; D34-H318 PolarHBondContact OD2-ND1 3.26Å; D34-Q319 HydrophobicContact CB-CB 4.43Å; D34-Q319 PolarHBondContact OD2-N 3.14Å; D34-R320 HydrophobicContact CB-CB 3.97Å; D34-R320 HydrophobicContact CB-CG 4.21Å
35	H	94.6	Very high	94.8	Very high	68 Å²	68	32.4 Å²	32.4	32%	0.315	17%	0.169	S	C	.	.	S	Bend	trans	61.2	27.7	175.4	-52.9	-63.4	0	0	0	113.3	Y33 H53 S56	Y33-H35 VanDerWaalsContact C-N 3.3Å; H35-H53 CarbonylContact C-O 3.49Å; H35-H53 WeakPolarHBondContact CA-O 3.47Å; H35-H53 WeakPolarHBondContact CB-O 3.46Å; H35-H53 CarbonylContact O-C 3.47Å; H35-H53 VanDerWaalsContact O-C 3.24Å; H35-H53 WeakPolarHBondContact O-CA 3.34Å; H35-H53 PolarHBondContact O-N 3.3Å; H35-H53 VanDerWaalsContact O-O 3.06Å; H35-S56 VanDerWaalsContact ND1-C 3.25Å; H35-S56 PolarHBondContact ND1-O 3.15Å
36	T	95.9	Very high	95.8	Very high	22 Å²	22	30.4 Å²	30.4	14%	0.135	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	153.6	174.4	70.7	0	0	0	0	111.6	G31 D34 T50	G31-T36 WeakPolarHBondContact CA-O 3.34Å; D34-T36 VanDerWaalsContact CG-OG1 3.32Å; D34-T36 PolarHBondContact O-N 3.43Å; D34-T36 PolarHBondContact OD1-N 3.25Å; D34-T36 PolarHBondContact OD1-OG1 2.88Å; D34-T36 PolarHBondContact OD2-OG1 2.83Å; T36-T50 HydrophobicContact CG2-CG2 4Å
37	V	98	Very high	96	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.3	164.4	176	0	0	0	0	107.6	S30 T50 F51 H53 V58 L61 L70 Y81	S30-V37 CarbonylContact O-C 3.55Å; S30-V37 VanDerWaalsContact O-CA 3.25Å; S30-V37 WeakPolarHBondContact O-CA 3.09Å; V37-T50 CarbonylContact O-C 3.6Å; V37-T50 WeakPolarHBondContact O-CA 3.38Å; V37-F51 HydrophobicContact CB-CB 4.23Å; V37-F51 HydrophobicContact CB-CD2 4.35Å; V37-F51 HydrophobicContact CG1-CD2 4.13Å; V37-F51 PolarHBondContact N-O 3.19Å; V37-F51 VanDerWaalsContact N-O 3.1Å; V37-F51 PolarHBondContact O-N 3.46Å; V37-H53 HydrophobicContact CG2-CB 4.24Å; V37-V58 HydrophobicContact CG2-CG2 3.8Å; V37-L61 HydrophobicContact CG1-CD1 4.28Å; V37-L61 HydrophobicContact CG1-CD2 4.06Å; V37-L61 HydrophobicContact CG2-CD2 4.15Å; V37-L70 HydrophobicContact CG1-CD2 3.42Å; V37-L70 VanDerWaalsContact CG1-CD2 3.42Å; V37-Y81 HydrophobicContact CG2-CE2 4.47Å
38	K	98.3	Very high	96	Very high	23 Å²	23	35.4 Å²	35.4	10%	0.1	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.1	-177.6	-70.5	-179.9	-177.3	-75.4	0	110.8	A29 S30 W40 R49 T50 G317	A29-K38 CarbonylContact C-O 3.53Å; A29-K38 WeakPolarHBondContact CA-O 3.26Å; S30-K38 PolarHBondContact N-O 2.7Å; S30-K38 PolarHBondContact O-N 2.94Å; K38-W40 HydrophobicContact CB-CZ2 3.62Å; K38-W40 HydrophobicContact CD-CH2 3.89Å; K38-W40 HydrophobicContact CD-CZ2 3.58Å; K38-W40 HydrophobicContact CG-CZ2 4.23Å; K38-W40 PolarHBondContact O-NE1 2.88Å; K38-R49 WeakPolarHBondContact CA-O 3.36Å; K38-T50 HydrophobicContact CG-CG2 4.34Å; K38-T50 PolarHBondContact NZ-OG1 3.32Å; K38-G317 WeakPolarHBondContact CE-O 3.18Å
39	L	97.8	Very high	95.9	Very high	15 Å²	15	37.8 Å²	37.8	8%	0.079	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.9	169.8	-173	74.3	0	0	0	108.9	I27 L28 A29 I48 R49 F51	I27-L39 HydrophobicContact CG2-CD1 3.75Å; L28-L39 WeakPolarHBondContact O-CD1 3.38Å; A29-L39 HydrophobicContact CB-CD1 4.41Å; L39-I48 PolarHBondContact O-N 2.87Å; L39-R49 HydrophobicContact CB-CB 4.13Å; L39-R49 VanDerWaalsContact CD2-NH2 3.31Å; L39-R49 PolarHBondContact N-O 2.9Å; L39-R49 PolarHBondContact O-N 2.95Å; L39-F51 HydrophobicContact CB-CE2 4.23Å
40	W	97.4	Very high	95.8	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	144.8	-171.4	-53.9	90.2	0	0	0	111.4	L28 S30 K38 V46 C47 I48 L301 Y315 T316 H318	L28-W40 HydrophobicContact CB-CB 4.2Å; L28-W40 HydrophobicContact CD2-CB 3.86Å; L28-W40 HydrophobicContact CD2-CG 4.27Å; L28-W40 HydrophobicContact CG-CB 4.05Å; L28-W40 HydrophobicContact CG-CG 4.32Å; L28-W40 PolarHBondContact O-N 3.21Å; S30-W40 PolarHBondContact OG-NE1 3.16Å; K38-W40 HydrophobicContact CB-CZ2 3.62Å; K38-W40 HydrophobicContact CD-CH2 3.89Å; K38-W40 HydrophobicContact CD-CZ2 3.58Å; K38-W40 HydrophobicContact CG-CZ2 4.23Å; K38-W40 PolarHBondContact O-NE1 2.88Å; W40-V46 WeakPolarHBondContact CA-O 3.24Å; W40-C47 HydrophobicContact CE3-CB 3.81Å; W40-C47 HydrophobicContact CH2-CB 4.13Å; W40-C47 HydrophobicContact CZ3-CB 3.57Å; W40-I48 VanDerWaalsContact C-CD1 3.47Å; W40-L301 HydrophobicContact CZ2-CD1 4.08Å; W40-Y315 HydrophobicContact CB-CD1 4.1Å; W40-Y315 HydrophobicContact CB-CE1 4.38Å; W40-Y315 HydrophobicContact CD2-CD1 4.23Å; W40-Y315 AromaticContact CE3-CD1 3.99Å; W40-Y315 HydrophobicContact CE3-CD1 3.99Å; W40-Y315 HydrophobicContact CE3-CG 4.44Å; W40-Y315 HydrophobicContact CG-CD1 4.29Å; W40-T316 WeakPolarHBondContact CH2-O 3.31Å; W40-T316 VanDerWaalsContact CZ3-O 3.24Å; W40-T316 WeakPolarHBondContact CZ3-O 3.48Å; W40-H318 AromaticContact CZ2-CD2 3.74Å; W40-H318 AromaticContact CZ2-NE2 3.99Å
41	N	94.2	Very high	95.8	Very high	60 Å²	60	40.3 Å²	40.3	32%	0.321	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	138.8	157.9	-173.7	14.3	0	0	0	107.6	S43 P44 P45 V46 I48 Y315	N41-S43 PolarHBondContact ND2-O 3.39Å; N41-P44 CarbonylContact C-O 3.53Å; N41-P44 WeakPolarHBondContact CB-O 3.11Å; N41-P44 WeakPolarHBondContact ND2-CD 3.5Å; N41-P44 PolarHBondContact ND2-O 3.27Å; N41-P44 VanDerWaalsContact O-O 3.13Å; N41-P45 WeakPolarHBondContact O-CA 3.35Å; N41-V46 HydrophobicContact CB-CG2 3.66Å; N41-V46 PolarHBondContact N-O 3.39Å; N41-I48 HydrophobicContact CB-CD1 3.79Å; N41-I48 HydrophobicContact CB-CG1 3.88Å; N41-I48 VanDerWaalsContact N-CD1 3.28Å; N41-Y315 VanDerWaalsContact O-CE1 3.31Å; N41-Y315 WeakPolarHBondContact O-CE1 3.38Å
42	I	92.4	Very high	95.6	Very high	37 Å²	37	44.7 Å²	44.7	19%	0.19	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-44.5	-177.4	-62.7	163.6	0	0	0	110.5	L28 F293 L303 Y313 Y315 F327	L28-I42 HydrophobicContact CB-CG1 4.3Å; I42-F293 HydrophobicContact CG1-CZ 4.24Å; I42-F293 HydrophobicContact CG2-CZ 4.04Å; I42-L303 HydrophobicContact CG2-CD2 4.47Å; I42-Y313 WeakPolarHBondContact O-CD2 3.37Å; I42-Y315 PolarHBondContact O-OH 3.15Å; I42-F327 HydrophobicContact CD1-CE2 3.66Å; I42-F327 HydrophobicContact CD1-CZ 4.34Å; I42-F327 HydrophobicContact CG1-CE2 4.45Å
43	S	90.7	Very high	95.4	Very high	68 Å²	68	44.7 Å²	44.7	48%	0.476	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.3	112.3	179.4	-173.5	0	0	0	0	109.8	N41 Y313	N41-S43 PolarHBondContact ND2-O 3.39Å; S43-Y313 PolarHBondContact OG-OH 3.37Å
44	P	91.9	Very high	94.7	Very high	76 Å²	76	44.2 Å²	44.2	49%	0.494	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	cis	-69.5	157.3	-3.6	29.8	-37.7	0	0	0	113.7	N41 V46	N41-P44 CarbonylContact C-O 3.53Å; N41-P44 WeakPolarHBondContact CB-O 3.11Å; N41-P44 WeakPolarHBondContact ND2-CD 3.5Å; N41-P44 PolarHBondContact ND2-O 3.27Å; N41-P44 VanDerWaalsContact O-O 3.13Å; P44-V46 VanDerWaalsContact C-N 3.32Å; P44-V46 HydrophobicContact CB-CG1 4.43Å; P44-V46 HydrophobicContact CG-CG1 4.37Å; P44-V46 HydrophobicContact CG-CG2 4.49Å; P44-V46 PolarHBondContact O-N 3.18Å
45	P	95.6	Very high	94.2	Very high	34 Å²	34	48 Å²	48	22%	0.221	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	76.6	-176.9	33	-37.8	0	0	0	112.2	N41 Y313 Y315	N41-P45 WeakPolarHBondContact O-CA 3.35Å; P45-Y313 HydrophobicContact CB-CD1 4.41Å; P45-Y313 HydrophobicContact CB-CG 4.19Å; P45-Y313 HydrophobicContact CG-CD1 3.71Å; P45-Y313 HydrophobicContact CG-CE1 4.47Å; P45-Y313 HydrophobicContact CG-CG 3.99Å; P45-Y315 HydrophobicContact CB-CD1 3.48Å; P45-Y315 VanDerWaalsContact CB-CD1 3.48Å; P45-Y315 HydrophobicContact CB-CD2 4.4Å; P45-Y315 HydrophobicContact CB-CE1 3.45Å; P45-Y315 VanDerWaalsContact CB-CE1 3.45Å; P45-Y315 HydrophobicContact CB-CE2 4.36Å; P45-Y315 HydrophobicContact CB-CG 3.97Å
46	V	96	Very high	94.1	Very high	71 Å²	71	44.9 Å²	44.9	43%	0.43	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.5	-177.6	-63.4	0	0	0	0	111.9	W40 N41 P44 I48	W40-V46 WeakPolarHBondContact CA-O 3.24Å; N41-V46 HydrophobicContact CB-CG2 3.66Å; N41-V46 PolarHBondContact N-O 3.39Å; P44-V46 VanDerWaalsContact C-N 3.32Å; P44-V46 HydrophobicContact CB-CG1 4.43Å; P44-V46 HydrophobicContact CG-CG1 4.37Å; P44-V46 HydrophobicContact CG-CG2 4.49Å; P44-V46 PolarHBondContact O-N 3.18Å; V46-I48 PolarHBondContact O-N 2.91Å
47	C	96.8	Very high	94	Very high	48 Å²	48	46.1 Å²	46.1	32%	0.324	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	118.5	171.1	-174	0	0	0	0	109.3	W40 R49	W40-C47 HydrophobicContact CE3-CB 3.81Å; W40-C47 HydrophobicContact CH2-CB 4.13Å; W40-C47 HydrophobicContact CZ3-CB 3.57Å; C47-R49 PolarHBondContact SG-O 3.07Å
48	I	95.2	Very high	94	Very high	101 Å²	101	46.1 Å²	46.1	52%	0.518	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-44.9	-179.3	-52.5	169.2	0	0	0	110.2	L39 W40 N41 V46	L39-I48 PolarHBondContact O-N 2.87Å; W40-I48 VanDerWaalsContact C-CD1 3.47Å; N41-I48 HydrophobicContact CB-CD1 3.79Å; N41-I48 HydrophobicContact CB-CG1 3.88Å; N41-I48 VanDerWaalsContact N-CD1 3.28Å; V46-I48 PolarHBondContact O-N 2.91Å
49	R	96.3	Very high	94	Very high	51 Å²	51	47 Å²	47	19%	0.192	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150.9	-177.4	-69.2	-169.4	-71.8	169.1	-5.4	111.3	K38 L39 C47 F51 D82 L83 T85	K38-R49 WeakPolarHBondContact CA-O 3.36Å; L39-R49 HydrophobicContact CB-CB 4.13Å; L39-R49 VanDerWaalsContact CD2-NH2 3.31Å; L39-R49 PolarHBondContact N-O 2.9Å; L39-R49 PolarHBondContact O-N 2.95Å; C47-R49 PolarHBondContact SG-O 3.07Å; R49-F51 HydrophobicContact CB-CZ 4.5Å; R49-D82 PolarHBondContact NH1-O 2.83Å; R49-L83 VanDerWaalsContact NH2-CA 3.35Å; R49-L83 PolarHBondContact NH2-O 2.61Å; R49-T85 PolarHBondContact NH1-O 3.21Å
50	T	96.9	Very high	94	Very high	50 Å²	50	46.7 Å²	46.7	31%	0.307	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	119.4	170.1	-61.9	0	0	0	0	108.6	T36 V37 K38	T36-T50 HydrophobicContact CG2-CG2 4Å; V37-T50 CarbonylContact O-C 3.6Å; V37-T50 WeakPolarHBondContact O-CA 3.38Å; K38-T50 HydrophobicContact CG-CG2 4.34Å; K38-T50 PolarHBondContact NZ-OG1 3.32Å
51	F	97.4	Very high	94	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.009	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	145.7	172.7	-53.1	-83.4	0	0	0	110.3	V37 L39 R49 Y81 L83 P88	V37-F51 HydrophobicContact CB-CB 4.23Å; V37-F51 HydrophobicContact CB-CD2 4.35Å; V37-F51 HydrophobicContact CG1-CD2 4.13Å; V37-F51 PolarHBondContact N-O 3.19Å; V37-F51 VanDerWaalsContact N-O 3.1Å; V37-F51 PolarHBondContact O-N 3.46Å; L39-F51 HydrophobicContact CB-CE2 4.23Å; R49-F51 HydrophobicContact CB-CZ 4.5Å; F51-Y81 HydrophobicContact CB-CD1 3.65Å; F51-Y81 HydrophobicContact CB-CE1 3.75Å; F51-Y81 HydrophobicContact CB-CG 4.25Å; F51-Y81 AromaticContact CD1-CD1 3.75Å; F51-Y81 HydrophobicContact CD1-CD1 3.75Å; F51-Y81 HydrophobicContact CD1-CG 4.04Å; F51-Y81 AromaticContact CG-CD1 3.84Å; F51-Y81 HydrophobicContact CG-CD1 3.84Å; F51-Y81 HydrophobicContact CG-CE1 4.43Å; F51-Y81 HydrophobicContact CG-CG 4.07Å; F51-L83 HydrophobicContact CE2-CD2 4.14Å; F51-L83 HydrophobicContact CZ-CD2 3.79Å; F51-P88 CarbonylContact C-O 3.58Å; F51-P88 VanDerWaalsContact CA-O 3.27Å; F51-P88 WeakPolarHBondContact CA-O 3.42Å; F51-P88 WeakPolarHBondContact CB-O 3.46Å
52	Q	93.2	Very high	94.2	Very high	93 Å²	93	45.6 Å²	45.6	44%	0.435	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	127.9	178.9	-59.9	-60	-34.6	0	0	110.4	P88	Q52-P88 PolarHBondContact N-O 2.96Å
53	H	93.2	Very high	94.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.			trans	-133.3	65.1	175.3	-163.9	95.7	0	0	0	110.7	H35 V37 D55 S56 V58 S72 Y81	H35-H53 CarbonylContact C-O 3.49Å; H35-H53 WeakPolarHBondContact CA-O 3.47Å; H35-H53 WeakPolarHBondContact CB-O 3.46Å; H35-H53 CarbonylContact O-C 3.47Å; H35-H53 VanDerWaalsContact O-C 3.24Å; H35-H53 WeakPolarHBondContact O-CA 3.34Å; H35-H53 PolarHBondContact O-N 3.3Å; H35-H53 VanDerWaalsContact O-O 3.06Å; V37-H53 HydrophobicContact CG2-CB 4.24Å; H53-D55 PolarHBondContact O-N 3.37Å; H53-S56 PolarHBondContact CD2-O 2.91Å; H53-S56 VanDerWaalsContact CD2-O 3.3Å; H53-V58 HydrophobicContact CB-CG2 4.45Å; H53-S72 PolarHBondContact CE1-OG 3.47Å; H53-S72 PolarHBondContact ND1-OG 3.15Å; H53-Y81 PolarHBondContact ND1-OH 2.77Å
54	P	82.5	Confident	94.8	Very high	81 Å²	81	40.6 Å²	40.6	53%	0.526	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-27	-160	26.1	-35.4	0	0	0	115.7
55	D	83.9	Confident	94.9	Very high	103 Å²	103	38.2 Å²	38.2	55%	0.551	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-20.5	-162.5	-58.1	-27.1	0	0	0	115.1	H53 R79	H53-D55 PolarHBondContact O-N 3.37Å; D55-R79 IonicContact OD2-CZ 2.84Å; D55-R79 VanDerWaalsContact OD2-CZ 3.31Å; D55-R79 IonicContact OD2-NH1 3.32Å; D55-R79 PolarHBondContact OD2-NH1 2.62Å; D55-R79 VanDerWaalsContact OD2-NH1 3.15Å; D55-R79 IonicContact OD2-NH2 3.55Å; D55-R79 PolarHBondContact OD2-NH2 2.99Å
56	S	92.8	Very high	94.7	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.028	22%	0.22	C	C	.	.	S	Bend	trans	-159.2	174.1	-176.5	71.5	0	0	0	0	112.3	H35 H53 G74 H75	H35-S56 VanDerWaalsContact ND1-C 3.25Å; H35-S56 PolarHBondContact ND1-O 3.15Å; H53-S56 PolarHBondContact CD2-O 2.91Å; H53-S56 VanDerWaalsContact CD2-O 3.3Å; S56-G74 WeakPolarHBondContact OG-CA 3.46Å; S56-H75 PolarHBondContact OG-N 2.79Å
57	Q	94.7	Very high	94.6	Very high	47 Å²	47	37.4 Å²	37.4	22%	0.22	20%	0.201	C	C	.	.			trans	-66.4	158.7	161.7	72.2	-80.5	24.2	0	0	110.8	G32 Y33 N59	G32-Q57 WeakPolarHBondContact O-CA 3.47Å; Y33-Q57 HydrophobicContact CD1-CB 3.76Å; Y33-Q57 HydrophobicContact CD1-CG 4.35Å; Y33-Q57 HydrophobicContact CE1-CB 3.91Å; Y33-Q57 HydrophobicContact CE1-CG 3.98Å; Y33-Q57 HydrophobicContact CG-CB 4.24Å; Q57-N59 WeakPolarHBondContact CG-OD1 3.22Å
58	V	97.7	Very high	94.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.			trans	-94.9	113.5	174.8	-175.2	0	0	0	0	109.6	G32 V37 H53 L61 A73 T323 A324	G32-V58 PolarHBondContact O-N 2.91Å; V37-V58 HydrophobicContact CG2-CG2 3.8Å; H53-V58 HydrophobicContact CB-CG2 4.45Å; V58-L61 HydrophobicContact CG1-CD1 4.27Å; V58-L61 HydrophobicContact CG1-CD2 3.79Å; V58-L61 HydrophobicContact CG1-CG 3.69Å; V58-A73 CarbonylContact C-O 3.54Å; V58-T323 PolarHBondContact O-OG1 2.85Å; V58-A324 HydrophobicContact CG1-CB 3.9Å
59	N	97.2	Very high	94.6	Very high	41 Å²	41	32.7 Å²	32.7	22%	0.219	17%	0.174	C	C	.	.			trans	-86.4	-32.8	-177.2	-63.8	-31.4	0	0	0	112.6	Q57 A73 V101	Q57-N59 WeakPolarHBondContact CG-OD1 3.22Å; N59-A73 HydrophobicContact CB-CB 4.36Å; N59-A73 PolarHBondContact N-O 3.25Å; N59-V101 WeakPolarHBondContact CB-O 3.26Å; N59-V101 PolarHBondContact ND2-O 3.4Å; N59-V101 VanDerWaalsContact ND2-O 3.09Å
60	K	98	Very high	94.7	Very high	9 Å²	9	30.3 Å²	30.3	4%	0.039	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	146.5	178.9	-161.3	68.9	-170.7	162.1	0	110.6	S72 A73 D282	K60-S72 WeakPolarHBondContact O-CA 3.14Å; K60-A73 HydrophobicContact CB-CB 3.82Å; K60-A73 PolarHBondContact O-N 3.29Å; K60-D282 VanDerWaalsContact NZ-CG 3.33Å; K60-D282 IonicContact NZ-OD1 3.31Å; K60-D282 PolarHBondContact NZ-OD1 2.99Å; K60-D282 VanDerWaalsContact NZ-OD1 3.12Å; K60-D282 IonicContact NZ-OD2 2.8Å; K60-D282 PolarHBondContact NZ-OD2 2.99Å
61	L	98.5	Very high	94.7	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.9	171.8	-72.3	169.4	0	0	0	109.2	V37 V58 L70 A71 S72 A324 A326	V37-L61 HydrophobicContact CG1-CD1 4.28Å; V37-L61 HydrophobicContact CG1-CD2 4.06Å; V37-L61 HydrophobicContact CG2-CD2 4.15Å; V58-L61 HydrophobicContact CG1-CD1 4.27Å; V58-L61 HydrophobicContact CG1-CD2 3.79Å; V58-L61 HydrophobicContact CG1-CG 3.69Å; L61-L70 HydrophobicContact CB-CD1 4.34Å; L61-L70 HydrophobicContact CD2-CD1 4.21Å; L61-L70 HydrophobicContact CD2-CD2 4.28Å; L61-L70 HydrophobicContact CD2-CG 4.19Å; L61-A71 VanDerWaalsContact CA-O 3.31Å; L61-A71 WeakPolarHBondContact CA-O 3.23Å; L61-A71 WeakPolarHBondContact CD2-O 3.1Å; L61-S72 VanDerWaalsContact CD2-CB 3.5Å; L61-A324 HydrophobicContact CB-CB 4.35Å; L61-A324 HydrophobicContact CD1-CB 4.1Å; L61-A324 HydrophobicContact CG-CB 3.94Å; L61-A326 HydrophobicContact CB-CB 3.66Å
62	E	98.3	Very high	94.7	Very high	39 Å²	39	27.8 Å²	27.8	18%	0.182	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	139.9	162.5	-128.4	-52.3	-121.3	0	0	111.5	A71 I104 F106 R328	E62-A71 PolarHBondContact N-O 3.15Å; E62-A71 PolarHBondContact O-N 3.03Å; E62-I104 HydrophobicContact CB-CG2 4.42Å; E62-F106 HydrophobicContact CB-CD2 4.21Å; E62-F106 HydrophobicContact CB-CE2 3.9Å; E62-R328 IonicContact OE1-NH2 2.91Å; E62-R328 PolarHBondContact OE1-NH2 2.98Å
63	V	97.7	Very high	94.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	136.8	172.3	-176.5	0	0	0	0	109	I27 M69 L70 L83 A326 R328	I27-V63 HydrophobicContact CB-CG1 4.43Å; I27-V63 HydrophobicContact CB-CG2 4.33Å; I27-V63 HydrophobicContact CD1-CG1 3.84Å; I27-V63 HydrophobicContact CG2-CG1 4.15Å; I27-V63 HydrophobicContact CG2-CG2 3.61Å; V63-M69 WeakPolarHBondContact CA-O 3.16Å; V63-L70 HydrophobicContact CG2-CD1 3.85Å; V63-L83 HydrophobicContact CG1-CD1 4.12Å; V63-A326 HydrophobicContact CG2-CB 4.02Å; V63-R328 HydrophobicContact CB-CB 4Å; V63-R328 HydrophobicContact CG1-CB 4.15Å; V63-R328 HydrophobicContact CG2-CB 4.4Å; V63-R328 PolarHBondContact O-NE 2.99Å; V63-R328 PolarHBondContact O-NH2 2.86Å
64	T	96.4	Very high	95	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.129	C	C	.	.			trans	-62.1	149.1	176.3	53.4	0	0	0	0	112.3	D66 G67 S68 M69 M80 F106 M110 M127 R328	T64-D66 VanDerWaalsContact CB-OD1 3.26Å; T64-D66 WeakPolarHBondContact CB-OD1 3.47Å; T64-D66 PolarHBondContact O-N 2.88Å; T64-D66 VanDerWaalsContact O-N 3.07Å; T64-D66 PolarHBondContact OG1-OD1 3.47Å; T64-G67 WeakPolarHBondContact O-CA 3.49Å; T64-G67 PolarHBondContact O-N 3.36Å; T64-S68 PolarHBondContact OG1-N 2.99Å; T64-M69 HydrophobicContact CG2-CB 3.84Å; T64-M69 PolarHBondContact N-O 2.84Å; T64-M69 PolarHBondContact OG1-N 2.78Å; T64-M69 PolarHBondContact OG1-O 3.15Å; T64-M80 HydrophobicContact CG2-CE 3.75Å; T64-F106 HydrophobicContact CG2-CD1 4.15Å; T64-F106 HydrophobicContact CG2-CD2 4.31Å; T64-F106 HydrophobicContact CG2-CE1 3.71Å; T64-F106 HydrophobicContact CG2-CE2 3.85Å; T64-F106 HydrophobicContact CG2-CG 4.43Å; T64-F106 HydrophobicContact CG2-CZ 3.52Å; T64-M110 HydrophobicContact CG2-CE 3.7Å; T64-M110 HydrophobicContact CG2-SD 4.15Å; T64-M127 HydrophobicContact CG2-CE 4.26Å; T64-R328 VanDerWaalsContact O-CD 3.23Å; T64-R328 WeakPolarHBondContact O-CD 3.44Å; T64-R328 PolarHBondContact O-NE 2.94Å
65	P	94.3	Very high	95.6	Very high	27 Å²	27	23.3 Å²	23.3	18%	0.175	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.5	-38.8	176.4	-33	25.6	0	0	0	117.1	G67 F106 N107 M110	P65-G67 VanDerWaalsContact C-N 3.34Å; P65-F106 VanDerWaalsContact CD-CB 3.45Å; P65-F106 HydrophobicContact CG-CB 3.92Å; P65-N107 WeakPolarHBondContact CG-O 3.36Å; P65-M110 HydrophobicContact CB-CG 4Å; P65-M110 HydrophobicContact CB-SD 3.9Å; P65-M110 WeakPolarHBondContact CD-SD 3.48Å; P65-M110 HydrophobicContact CG-CG 4.13Å; P65-M110 HydrophobicContact CG-SD 3.61Å
66	D	92.8	Very high	96.2	Very high	85 Å²	85	22.4 Å²	22.4	46%	0.455	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-1.1	179.3	67.1	-14.6	0	0	0	114.2	T64 S68 M110	T64-D66 VanDerWaalsContact CB-OD1 3.26Å; T64-D66 WeakPolarHBondContact CB-OD1 3.47Å; T64-D66 PolarHBondContact O-N 2.88Å; T64-D66 VanDerWaalsContact O-N 3.07Å; T64-D66 PolarHBondContact OG1-OD1 3.47Å; D66-S68 PolarHBondContact O-N 3.37Å; D66-S68 PolarHBondContact OD1-N 3.45Å; D66-S68 PolarHBondContact OD1-OG 2.94Å; D66-S68 VanDerWaalsContact OD2-CB 3.27Å; D66-S68 WeakPolarHBondContact OD2-CB 3.49Å; D66-S68 PolarHBondContact OD2-OG 2.79Å; D66-M110 WeakPolarHBondContact OD1-CE 3.33Å
67	G	93.6	Very high	96.2	Very high	3 Å²	3	26.1 Å²	26.1	3%	0.031	13%	0.128	C	C	.	.	S	Bend	trans	68.6	10.4	-177.2	0	0	0	0	0	114.8	I27 T64 P65	I27-G67 WeakPolarHBondContact CD1-O 3.39Å; T64-G67 WeakPolarHBondContact O-CA 3.49Å; T64-G67 PolarHBondContact O-N 3.36Å; P65-G67 VanDerWaalsContact C-N 3.34Å
68	S	94.6	Very high	96.3	Very high	15 Å²	15	23.9 Å²	23.9	11%	0.105	12%	0.117	C	C	.	.	S	Bend	trans	-80	-28.6	-175.5	67.9	0	0	0	0	113.4	T64 D66 L83	T64-S68 PolarHBondContact OG1-N 2.99Å; D66-S68 PolarHBondContact O-N 3.37Å; D66-S68 PolarHBondContact OD1-N 3.45Å; D66-S68 PolarHBondContact OD1-OG 2.94Å; D66-S68 VanDerWaalsContact OD2-CB 3.27Å; D66-S68 WeakPolarHBondContact OD2-CB 3.49Å; D66-S68 PolarHBondContact OD2-OG 2.79Å; S68-L83 WeakPolarHBondContact O-CB 3.45Å; S68-L83 PolarHBondContact O-N 3.01Å
69	M	96.3	Very high	96.2	Very high	35 Å²	35	25 Å²	25	17%	0.172	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	158.7	-175.5	-54.8	-177.7	82.2	0	0	112.8	V63 T64 M80 Y81 V91 V92	V63-M69 WeakPolarHBondContact CA-O 3.16Å; T64-M69 HydrophobicContact CG2-CB 3.84Å; T64-M69 PolarHBondContact N-O 2.84Å; T64-M69 PolarHBondContact OG1-N 2.78Å; T64-M69 PolarHBondContact OG1-O 3.15Å; M69-M80 HydrophobicContact CB-CE 3.65Å; M69-M80 HydrophobicContact CE-CB 3.5Å; M69-M80 VanDerWaalsContact CE-CB 3.5Å; M69-M80 HydrophobicContact CE-CE 3.95Å; M69-M80 HydrophobicContact CE-CG 4.39Å; M69-M80 HydrophobicContact CE-SD 4.1Å; M69-M80 HydrophobicContact CG-CE 4.24Å; M69-M80 HydrophobicContact SD-CE 3.56Å; M69-M80 VanDerWaalsContact SD-CE 3.56Å; M69-M80 HydrophobicContact SD-SD 4.23Å; M69-Y81 CarbonylContact C-O 3.59Å; M69-Y81 WeakPolarHBondContact CA-O 3.35Å; M69-Y81 WeakPolarHBondContact CB-O 3.46Å; M69-V91 HydrophobicContact CE-CG2 3.56Å; M69-V92 HydrophobicContact CE-CG2 4.01Å
70	L	97.8	Very high	96.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.5	172.5	177.2	68.2	0	0	0	109.1	A29 V37 L61 V63 M80 Y81 L83 A326	A29-L70 HydrophobicContact CB-CD1 3.84Å; A29-L70 HydrophobicContact CB-CD2 3.6Å; A29-L70 HydrophobicContact CB-CG 4.41Å; V37-L70 HydrophobicContact CG1-CD2 3.42Å; V37-L70 VanDerWaalsContact CG1-CD2 3.42Å; L61-L70 HydrophobicContact CB-CD1 4.34Å; L61-L70 HydrophobicContact CD2-CD1 4.21Å; L61-L70 HydrophobicContact CD2-CD2 4.28Å; L61-L70 HydrophobicContact CD2-CG 4.19Å; V63-L70 HydrophobicContact CG2-CD1 3.85Å; L70-M80 CarbonylContact O-C 3.53Å; L70-M80 VanDerWaalsContact O-CA 3.26Å; L70-M80 WeakPolarHBondContact O-CA 3.28Å; L70-Y81 PolarHBondContact N-O 3.38Å; L70-Y81 WeakPolarHBondContact O-CD2 3.28Å; L70-Y81 PolarHBondContact O-N 3.04Å; L70-L83 HydrophobicContact CB-CD1 4.17Å; L70-L83 HydrophobicContact CB-CD2 3.93Å; L70-L83 HydrophobicContact CB-CG 4.15Å; L70-A326 HydrophobicContact CD1-CB 4.11Å
71	A	98.2	Very high	96.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	141.1	170.4	0	0	0	0	0	111.6	L61 E62 R79 M80 I104 F106	L61-A71 VanDerWaalsContact CA-O 3.31Å; L61-A71 WeakPolarHBondContact CA-O 3.23Å; L61-A71 WeakPolarHBondContact CD2-O 3.1Å; E62-A71 PolarHBondContact N-O 3.15Å; E62-A71 PolarHBondContact O-N 3.03Å; A71-R79 CarbonylContact C-O 3.52Å; A71-R79 VanDerWaalsContact CA-O 3.25Å; A71-R79 WeakPolarHBondContact CA-O 3.44Å; A71-M80 HydrophobicContact CB-CG 4.38Å; A71-I104 HydrophobicContact CB-CD1 4.38Å; A71-I104 HydrophobicContact CB-CG2 4.01Å; A71-F106 HydrophobicContact CB-CE2 4.11Å; A71-F106 HydrophobicContact CB-CZ 3.56Å
72	S	98.1	Very high	96	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.1	173.8	70	0	0	0	0	111.7	H53 K60 L61 I78 R79 Y81	H53-S72 PolarHBondContact CE1-OG 3.47Å; H53-S72 PolarHBondContact ND1-OG 3.15Å; K60-S72 WeakPolarHBondContact O-CA 3.14Å; L61-S72 VanDerWaalsContact CD2-CB 3.5Å; S72-I78 WeakPolarHBondContact O-CA 3.44Å; S72-R79 PolarHBondContact N-O 2.84Å; S72-R79 PolarHBondContact O-N 3.31Å; S72-R79 WeakPolarHBondContact OG-CB 3.35Å; S72-Y81 WeakPolarHBondContact OG-CE2 3.36Å
73	A	97.3	Very high	95.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	129	170.2	0	0	0	0	0	110.1	V58 N59 K60 V101 I104	V58-A73 CarbonylContact C-O 3.54Å; N59-A73 HydrophobicContact CB-CB 4.36Å; N59-A73 PolarHBondContact N-O 3.25Å; K60-A73 HydrophobicContact CB-CB 3.82Å; K60-A73 PolarHBondContact O-N 3.29Å; A73-V101 HydrophobicContact CB-CB 3.73Å; A73-V101 HydrophobicContact CB-CG1 3.58Å; A73-V101 WeakPolarHBondContact CB-O 3.25Å; A73-I104 HydrophobicContact CB-CD1 3.43Å; A73-I104 VanDerWaalsContact CB-CD1 3.43Å; A73-I104 HydrophobicContact CB-CG1 3.83Å; A73-I104 VanDerWaalsContact N-CD1 3.26Å
74	G	95.1	Very high	95.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.			trans	-133.6	-158.1	171.8	0	0	0	0	0	112.3	S56 Q76 R77 V101	S56-G74 WeakPolarHBondContact OG-CA 3.46Å; G74-Q76 PolarHBondContact O-N 2.83Å; G74-R77 PolarHBondContact N-O 2.71Å; G74-V101 PolarHBondContact O-N 2.56Å
75	H	95.5	Very high	95.5	Very high	79 Å²	79	31.9 Å²	31.9	37%	0.366	16%	0.158	S	C	.	.	B	Isolated β-bridge	trans	-75.4	114	171.1	-178.1	-101.2	0	0	0	109.4	S56 R77 N100	S56-H75 PolarHBondContact OG-N 2.79Å; H75-R77 PolarHBondContact O-N 2.84Å; H75-N100 WeakPolarHBondContact CA-OD1 3.4Å; H75-N100 WeakPolarHBondContact CB-OD1 3.38Å; H75-N100 PolarHBondContact CD2-OD1 3.37Å
76	Q	95	Very high	95.5	Very high	84 Å²	84	35.1 Å²	35.1	39%	0.393	19%	0.187	S	C	.	.	S	Bend	trans	60.7	9.1	176.3	-61	177.6	-18.7	0	0	116	G74 V97 K98 R99	G74-Q76 PolarHBondContact O-N 2.83Å; Q76-V97 WeakPolarHBondContact CB-O 3.15Å; Q76-K98 WeakPolarHBondContact CG-O 3.45Å; Q76-K98 PolarHBondContact NE2-O 2.82Å; Q76-R99 WeakPolarHBondContact CA-O 3.38Å; Q76-R99 PolarHBondContact N-O 2.91Å
77	R	92.9	Very high	95.6	Very high	83 Å²	83	34 Å²	34	31%	0.313	18%	0.181	S	C	.	.			trans	-136.9	139	-174.8	-62.7	-64.6	-174.9	-179.1	2.2	110.9	G74 H75 E95	G74-R77 PolarHBondContact N-O 2.71Å; H75-R77 PolarHBondContact O-N 2.84Å; R77-E95 IonicContact CZ-OE1 2.89Å; R77-E95 VanDerWaalsContact NH1-CD 3.34Å; R77-E95 IonicContact NH1-OE1 3.47Å; R77-E95 PolarHBondContact NH1-OE1 2.77Å; R77-E95 IonicContact NH2-OE1 3.74Å
78	I	96.3	Very high	95.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	116.8	164.4	-53.9	152.7	0	0	0	106.4	S72 Y94 V97 V101 I104 M113 T115 W125	S72-I78 WeakPolarHBondContact O-CA 3.44Å; I78-Y94 HydrophobicContact CB-CD2 4.35Å; I78-Y94 HydrophobicContact CG2-CD2 4.17Å; I78-Y94 PolarHBondContact O-N 2.93Å; I78-V97 HydrophobicContact CD1-CG2 4.04Å; I78-V101 HydrophobicContact CD1-CG2 4.4Å; I78-V101 HydrophobicContact CG1-CG1 4.25Å; I78-V101 HydrophobicContact CG1-CG2 3.82Å; I78-I104 HydrophobicContact CG2-CD1 3.79Å; I78-M113 HydrophobicContact CD1-CE 4.22Å; I78-M113 HydrophobicContact CG2-CE 3.98Å; I78-T115 HydrophobicContact CD1-CG2 3.61Å; I78-T115 HydrophobicContact CG1-CG2 4.28Å; I78-W125 HydrophobicContact CD1-CH2 4.17Å; I78-W125 HydrophobicContact CD1-CZ2 3.49Å; I78-W125 VanDerWaalsContact CD1-CZ2 3.49Å
79	R	96.2	Very high	95.8	Very high	22 Å²	22	39.5 Å²	39.5	8%	0.083	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	146.1	-177.9	-59.2	-175.3	145.8	109.4	4.5	110.3	D55 A71 S72 Y81 P90 V92 N93	D55-R79 IonicContact OD2-CZ 2.84Å; D55-R79 VanDerWaalsContact OD2-CZ 3.31Å; D55-R79 IonicContact OD2-NH1 3.32Å; D55-R79 PolarHBondContact OD2-NH1 2.62Å; D55-R79 VanDerWaalsContact OD2-NH1 3.15Å; D55-R79 IonicContact OD2-NH2 3.55Å; D55-R79 PolarHBondContact OD2-NH2 2.99Å; A71-R79 CarbonylContact C-O 3.52Å; A71-R79 VanDerWaalsContact CA-O 3.25Å; A71-R79 WeakPolarHBondContact CA-O 3.44Å; S72-R79 PolarHBondContact N-O 2.84Å; S72-R79 PolarHBondContact O-N 3.31Å; S72-R79 WeakPolarHBondContact OG-CB 3.35Å; R79-Y81 HydrophobicContact CB-CE2 4.14Å; R79-Y81 WeakPolarHBondContact CD-OH 3.47Å; R79-P90 HydrophobicContact CB-CB 4.11Å; R79-P90 HydrophobicContact CB-CG 4.35Å; R79-P90 HydrophobicContact CG-CB 4.35Å; R79-P90 HydrophobicContact CG-CG 4.33Å; R79-V92 CarbonylContact C-O 3.47Å; R79-V92 WeakPolarHBondContact CA-O 3.24Å; R79-N93 WeakPolarHBondContact CG-OD1 3.21Å
80	M	96.8	Very high	95.7	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.8	166.9	-49.5	-170.5	67.2	0	0	111.2	T64 M69 L70 A71 P90 V91 V92 Y94 F106 M127	T64-M80 HydrophobicContact CG2-CE 3.75Å; M69-M80 HydrophobicContact CB-CE 3.65Å; M69-M80 HydrophobicContact CE-CB 3.5Å; M69-M80 VanDerWaalsContact CE-CB 3.5Å; M69-M80 HydrophobicContact CE-CE 3.95Å; M69-M80 HydrophobicContact CE-CG 4.39Å; M69-M80 HydrophobicContact CE-SD 4.1Å; M69-M80 HydrophobicContact CG-CE 4.24Å; M69-M80 HydrophobicContact SD-CE 3.56Å; M69-M80 VanDerWaalsContact SD-CE 3.56Å; M69-M80 HydrophobicContact SD-SD 4.23Å; L70-M80 CarbonylContact O-C 3.53Å; L70-M80 VanDerWaalsContact O-CA 3.26Å; L70-M80 WeakPolarHBondContact O-CA 3.28Å; A71-M80 HydrophobicContact CB-CG 4.38Å; M80-P90 CarbonylContact O-C 3.58Å; M80-P90 WeakPolarHBondContact O-CA 3.42Å; M80-V91 WeakPolarHBondContact O-CG2 3.38Å; M80-V91 PolarHBondContact O-N 3Å; M80-V92 HydrophobicContact CB-CB 3.98Å; M80-V92 HydrophobicContact CB-CG2 4.48Å; M80-V92 HydrophobicContact CG-CB 4.12Å; M80-V92 PolarHBondContact N-O 2.77Å; M80-V92 PolarHBondContact O-N 3.11Å; M80-V92 HydrophobicContact SD-CB 4.43Å; M80-Y94 HydrophobicContact CG-CE2 4.05Å; M80-Y94 HydrophobicContact SD-CE2 3.75Å; M80-F106 HydrophobicContact CE-CE1 4.05Å; M80-F106 HydrophobicContact CE-CZ 4Å; M80-M127 HydrophobicContact CE-CE 3.93Å; M80-M127 HydrophobicContact SD-CE 4.38Å
81	Y	97.4	Very high	95.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	141.8	174.2	-51.8	-90.9	0	0	0	109.1	V37 F51 H53 M69 L70 S72 R79 P90	V37-Y81 HydrophobicContact CG2-CE2 4.47Å; F51-Y81 HydrophobicContact CB-CD1 3.65Å; F51-Y81 HydrophobicContact CB-CE1 3.75Å; F51-Y81 HydrophobicContact CB-CG 4.25Å; F51-Y81 AromaticContact CD1-CD1 3.75Å; F51-Y81 HydrophobicContact CD1-CD1 3.75Å; F51-Y81 HydrophobicContact CD1-CG 4.04Å; F51-Y81 AromaticContact CG-CD1 3.84Å; F51-Y81 HydrophobicContact CG-CD1 3.84Å; F51-Y81 HydrophobicContact CG-CE1 4.43Å; F51-Y81 HydrophobicContact CG-CG 4.07Å; H53-Y81 PolarHBondContact ND1-OH 2.77Å; M69-Y81 CarbonylContact C-O 3.59Å; M69-Y81 WeakPolarHBondContact CA-O 3.35Å; M69-Y81 WeakPolarHBondContact CB-O 3.46Å; L70-Y81 PolarHBondContact N-O 3.38Å; L70-Y81 WeakPolarHBondContact O-CD2 3.28Å; L70-Y81 PolarHBondContact O-N 3.04Å; S72-Y81 WeakPolarHBondContact OG-CE2 3.36Å; R79-Y81 HydrophobicContact CB-CE2 4.14Å; R79-Y81 WeakPolarHBondContact CD-OH 3.47Å; Y81-P90 HydrophobicContact CD1-CG 4.4Å; Y81-P90 HydrophobicContact CE1-CB 4.13Å; Y81-P90 HydrophobicContact CE1-CG 3.58Å
82	D	96.4	Very high	95.4	Very high	37 Å²	37	43.8 Å²	43.8	20%	0.198	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	119.6	175.3	-179.4	-4.6	0	0	0	109.9	R49 Q84 T85 V91	R49-D82 PolarHBondContact NH1-O 2.83Å; D82-Q84 VanDerWaalsContact C-N 3.31Å; D82-Q84 WeakPolarHBondContact OD1-CA 3.44Å; D82-Q84 WeakPolarHBondContact OD1-CB 3.49Å; D82-Q84 PolarHBondContact OD1-N 2.81Å; D82-T85 VanDerWaalsContact CG-OG1 3.28Å; D82-T85 WeakPolarHBondContact OD2-CG2 3.42Å; D82-T85 PolarHBondContact OD2-OG1 3Å; D82-V91 HydrophobicContact CB-CG1 4.16Å; D82-V91 HydrophobicContact CB-CG2 4.04Å
83	L	95.6	Very high	95.2	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	26%	0.256	C	S	.	.	S	Bend	trans	-84.7	-6.6	-179.7	-62.5	-178.5	0	0	0	113	R25 I27 R49 F51 V63 S68 L70	R25-L83 PolarHBondContact NH2-O 3.08Å; I27-L83 HydrophobicContact CD1-CD1 3.99Å; I27-L83 HydrophobicContact CG2-CD1 3.94Å; R49-L83 VanDerWaalsContact NH2-CA 3.35Å; R49-L83 PolarHBondContact NH2-O 2.61Å; F51-L83 HydrophobicContact CE2-CD2 4.14Å; F51-L83 HydrophobicContact CZ-CD2 3.79Å; V63-L83 HydrophobicContact CG1-CD1 4.12Å; S68-L83 WeakPolarHBondContact O-CB 3.45Å; S68-L83 PolarHBondContact O-N 3.01Å; L70-L83 HydrophobicContact CB-CD1 4.17Å; L70-L83 HydrophobicContact CB-CD2 3.93Å; L70-L83 HydrophobicContact CB-CG 4.15Å
84	Q	92.9	Very high	95	Very high	132 Å²	132	47 Å²	47	62%	0.617	26%	0.257	S	S	*	.	S	Bend	trans	-96.9	-15.1	-179.1	-54.7	-174.1	1.2	0	0	113.1	D82	D82-Q84 VanDerWaalsContact C-N 3.31Å; D82-Q84 WeakPolarHBondContact OD1-CA 3.44Å; D82-Q84 WeakPolarHBondContact OD1-CB 3.49Å; D82-Q84 PolarHBondContact OD1-N 2.81Å
85	T	93.5	Very high	94.7	Very high	60 Å²	60	52.6 Å²	52.6	37%	0.368	28%	0.283	S	S	.	.	S	Bend	trans	-114.6	159.6	-180	62.4	0	0	0	0	112.6	R49 D82 N87	R49-T85 PolarHBondContact NH1-O 3.21Å; D82-T85 VanDerWaalsContact CG-OG1 3.28Å; D82-T85 WeakPolarHBondContact OD2-CG2 3.42Å; D82-T85 PolarHBondContact OD2-OG1 3Å; T85-N87 PolarHBondContact O-N 3.45Å
86	A	92.6	Very high	94.4	Very high	96 Å²	96	51.6 Å²	51.6	79%	0.793	29%	0.294	S	S	*	.			trans	-78	5.4	176.3	0	0	0	0	0	113.7	P88	A86-P88 WeakPolarHBondContact O-CD 3.04Å
87	N	96	Very high	94.3	Very high	60 Å²	60	48 Å²	48	32%	0.321	28%	0.278	S	S	.	.			trans	-68.1	118.9	-177.5	-176	2.3	0	0	0	110.6	T85 N89	T85-N87 PolarHBondContact O-N 3.45Å; N87-N89 VanDerWaalsContact C-N 3.28Å; N87-N89 PolarHBondContact O-N 3.19Å; N87-N89 WeakPolarHBondContact OD1-CB 3.35Å; N87-N89 PolarHBondContact OD1-N 3.23Å; N87-N89 PolarHBondContact OD1-ND2 3.24Å
88	P	95.8	Very high	94.3	Very high	52 Å²	52	51.6 Å²	51.6	34%	0.338	30%	0.296	S	S	.	.			trans	-81.3	-6.9	-179.7	34.3	-36.7	0	0	0	113.3	F51 Q52 A86	F51-P88 CarbonylContact C-O 3.58Å; F51-P88 VanDerWaalsContact CA-O 3.27Å; F51-P88 WeakPolarHBondContact CA-O 3.42Å; F51-P88 WeakPolarHBondContact CB-O 3.46Å; Q52-P88 PolarHBondContact N-O 2.96Å; A86-P88 WeakPolarHBondContact O-CD 3.04Å
89	N	96.1	Very high	94.4	Very high	82 Å²	82	57.7 Å²	57.7	44%	0.439	32%	0.319	S	S	.	.	S	Bend	trans	-95.7	155.4	-175.1	-60.3	-60.2	0	0	0	112.1	N87 V91	N87-N89 VanDerWaalsContact C-N 3.28Å; N87-N89 PolarHBondContact O-N 3.19Å; N87-N89 WeakPolarHBondContact OD1-CB 3.35Å; N87-N89 PolarHBondContact OD1-N 3.23Å; N87-N89 PolarHBondContact OD1-ND2 3.24Å; N89-V91 PolarHBondContact O-N 2.8Å
90	P	95.2	Very high	94.4	Very high	30 Å²	30	57.9 Å²	57.9	20%	0.195	32%	0.322	C	S	.	.			trans	-57.3	135.7	169.8	-21.2	31.9	0	0	0	111.8	R79 M80 Y81	R79-P90 HydrophobicContact CB-CB 4.11Å; R79-P90 HydrophobicContact CB-CG 4.35Å; R79-P90 HydrophobicContact CG-CB 4.35Å; R79-P90 HydrophobicContact CG-CG 4.33Å; M80-P90 CarbonylContact O-C 3.58Å; M80-P90 WeakPolarHBondContact O-CA 3.42Å; Y81-P90 HydrophobicContact CD1-CG 4.4Å; Y81-P90 HydrophobicContact CE1-CB 4.13Å; Y81-P90 HydrophobicContact CE1-CG 3.58Å
91	V	95.1	Very high	94.5	Very high	64 Å²	64	57.8 Å²	57.8	39%	0.388	32%	0.321	S	S	.	.	S	Bend	trans	-101.7	-21.6	176.8	-65.9	0	0	0	0	113	M69 M80 D82 N89	M69-V91 HydrophobicContact CE-CG2 3.56Å; M80-V91 WeakPolarHBondContact O-CG2 3.38Å; M80-V91 PolarHBondContact O-N 3Å; D82-V91 HydrophobicContact CB-CG1 4.16Å; D82-V91 HydrophobicContact CB-CG2 4.04Å; N89-V91 PolarHBondContact O-N 2.8Å
92	V	94.5	Very high	94.5	Very high	32 Å²	32	59 Å²	59	19%	0.194	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.9	173.5	-177.3	0	0	0	0	109	M69 R79 M80 Y94 L132	M69-V92 HydrophobicContact CE-CG2 4.01Å; R79-V92 CarbonylContact C-O 3.47Å; R79-V92 WeakPolarHBondContact CA-O 3.24Å; M80-V92 HydrophobicContact CB-CB 3.98Å; M80-V92 HydrophobicContact CB-CG2 4.48Å; M80-V92 HydrophobicContact CG-CB 4.12Å; M80-V92 PolarHBondContact N-O 2.77Å; M80-V92 PolarHBondContact O-N 3.11Å; M80-V92 HydrophobicContact SD-CB 4.43Å; V92-Y94 HydrophobicContact CG1-CD2 3.99Å; V92-Y94 HydrophobicContact CG1-CE2 3.61Å; V92-L132 HydrophobicContact CG1-CD1 3.88Å; V92-L132 HydrophobicContact CG1-CD2 3.85Å
93	N	93.2	Very high	94.6	Very high	62 Å²	62	57.3 Å²	57.3	33%	0.332	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	110.4	174.3	-62.3	-63.5	0	0	0	108.9	R79	R79-N93 WeakPolarHBondContact CG-OD1 3.21Å
94	Y	94	Very high	94.7	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.016	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	135.3	171.1	-60.2	-98.2	0	0	0	109.7	I78 M80 V92 M113 W125 L132	I78-Y94 HydrophobicContact CB-CD2 4.35Å; I78-Y94 HydrophobicContact CG2-CD2 4.17Å; I78-Y94 PolarHBondContact O-N 2.93Å; M80-Y94 HydrophobicContact CG-CE2 4.05Å; M80-Y94 HydrophobicContact SD-CE2 3.75Å; V92-Y94 HydrophobicContact CG1-CD2 3.99Å; V92-Y94 HydrophobicContact CG1-CE2 3.61Å; Y94-M113 HydrophobicContact CD1-CE 3.79Å; Y94-M113 HydrophobicContact CD2-CE 3.38Å; Y94-M113 HydrophobicContact CD2-SD 4.42Å; Y94-M113 HydrophobicContact CE1-CE 3.79Å; Y94-M113 HydrophobicContact CE2-CE 3.37Å; Y94-M113 HydrophobicContact CE2-SD 3.93Å; Y94-M113 HydrophobicContact CG-CE 3.59Å; Y94-W125 HydrophobicContact CD1-CB 4.4Å; Y94-W125 HydrophobicContact CD1-CD2 4.22Å; Y94-W125 AromaticContact CD1-CE3 3.69Å; Y94-W125 HydrophobicContact CD1-CE3 3.69Å; Y94-W125 HydrophobicContact CD1-CZ3 4.3Å; Y94-W125 HydrophobicContact CE1-CB 4.16Å; Y94-W125 HydrophobicContact CG-CE3 4.28Å; Y94-L132 HydrophobicContact CD1-CB 3.95Å; Y94-L132 HydrophobicContact CD1-CD2 4.19Å; Y94-L132 HydrophobicContact CE1-CB 4.3Å; Y94-L132 HydrophobicContact CE1-CD2 3.74Å
95	E	88.7	Confident	95	Very high	118 Å²	118	51.2 Å²	51.2	55%	0.551	29%	0.292	S	S	*	.			trans	-114.9	173	-176.2	-52.9	-159.3	141.1	0	0	111.9	R77 W125	R77-E95 IonicContact CZ-OE1 2.89Å; R77-E95 VanDerWaalsContact NH1-CD 3.34Å; R77-E95 IonicContact NH1-OE1 3.47Å; R77-E95 PolarHBondContact NH1-OE1 2.77Å; R77-E95 IonicContact NH2-OE1 3.74Å; E95-W125 WeakPolarHBondContact O-CH2 3.29Å; E95-W125 WeakPolarHBondContact O-CZ3 3.32Å
96	G	88.5	Confident	95.2	Very high	59 Å²	59	49.1 Å²	49.1	61%	0.608	28%	0.278	S	S	*	.			trans	95.1	-2.5	176.1	0	0	0	0	0	115.5
97	V	93.7	Very high	95.4	Very high	9 Å²	9	44.7 Å²	44.7	6%	0.055	24%	0.24	C	C	.	.			trans	-82.8	130.9	170.6	-172.9	0	0	0	0	109.9	Q76 I78 R99 V101 W125	Q76-V97 WeakPolarHBondContact CB-O 3.15Å; I78-V97 HydrophobicContact CD1-CG2 4.04Å; V97-R99 WeakPolarHBondContact CG1-O 3.3Å; V97-V101 HydrophobicContact CB-CG2 4.23Å; V97-V101 HydrophobicContact CG1-CG2 3.72Å; V97-V101 HydrophobicContact CG2-CG2 4.18Å; V97-W125 HydrophobicContact CG2-CH2 3.81Å; V97-W125 HydrophobicContact CG2-CZ2 3.72Å
98	K	92.9	Very high	95.4	Very high	157 Å²	157	45 Å²	45	68%	0.683	25%	0.251	S	S	*	.			trans	-96.2	-12.8	-170.3	-64.7	-179.7	-178.8	176.7	0	114.6	Q76 D119	Q76-K98 WeakPolarHBondContact CG-O 3.45Å; Q76-K98 PolarHBondContact NE2-O 2.82Å; K98-D119 HydrophobicContact CB-CB 4.24Å; K98-D119 PolarHBondContact N-OD2 2.67Å; K98-D119 VanDerWaalsContact N-OD2 3.11Å
99	R	96.9	Very high	95.3	Very high	128 Å²	128	46.6 Å²	46.6	48%	0.483	26%	0.257	S	S	.	.	S	Bend	trans	-142	-166.2	-178.9	-67.2	-174.7	166.1	-173.6	-2	111.2	Q76 V97 V101 E118 D119	Q76-R99 WeakPolarHBondContact CA-O 3.38Å; Q76-R99 PolarHBondContact N-O 2.91Å; V97-R99 WeakPolarHBondContact CG1-O 3.3Å; R99-V101 PolarHBondContact O-N 3.4Å; R99-E118 HydrophobicContact CB-CB 3.83Å; R99-E118 WeakPolarHBondContact CD-O 3.37Å; R99-E118 PolarHBondContact NH1-O 3.14Å; R99-D119 HydrophobicContact CB-CB 4.13Å; R99-D119 HydrophobicContact CG-CB 4.19Å
100	N	97.4	Very high	95.2	Very high	26 Å²	26	44.6 Å²	44.6	14%	0.139	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-60	133.7	176.2	-70.3	-51.2	0	0	0	111.4	H75 G117 E118	H75-N100 WeakPolarHBondContact CA-OD1 3.4Å; H75-N100 WeakPolarHBondContact CB-OD1 3.38Å; H75-N100 PolarHBondContact CD2-OD1 3.37Å; N100-G117 CarbonylContact O-C 3.57Å; N100-G117 WeakPolarHBondContact O-CA 3.36Å; N100-E118 HydrophobicContact CB-CB 4.39Å; N100-E118 HydrophobicContact CB-CG 4.04Å; N100-E118 WeakPolarHBondContact CB-OE2 3.24Å; N100-E118 PolarHBondContact ND2-OE2 3.01Å; N100-E118 PolarHBondContact O-N 2.82Å
101	V	98.1	Very high	95.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	126.7	165.4	-178.1	0	0	0	0	107.1	N59 A73 G74 I78 V97 R99 A103 I104 T115 G116	N59-V101 WeakPolarHBondContact CB-O 3.26Å; N59-V101 PolarHBondContact ND2-O 3.4Å; N59-V101 VanDerWaalsContact ND2-O 3.09Å; A73-V101 HydrophobicContact CB-CB 3.73Å; A73-V101 HydrophobicContact CB-CG1 3.58Å; A73-V101 WeakPolarHBondContact CB-O 3.25Å; G74-V101 PolarHBondContact O-N 2.56Å; I78-V101 HydrophobicContact CD1-CG2 4.4Å; I78-V101 HydrophobicContact CG1-CG1 4.25Å; I78-V101 HydrophobicContact CG1-CG2 3.82Å; V97-V101 HydrophobicContact CB-CG2 4.23Å; V97-V101 HydrophobicContact CG1-CG2 3.72Å; V97-V101 HydrophobicContact CG2-CG2 4.18Å; R99-V101 PolarHBondContact O-N 3.4Å; V101-A103 WeakPolarHBondContact CG1-O 3.16Å; V101-I104 HydrophobicContact CG1-CD1 4.36Å; V101-I104 HydrophobicContact CG1-CG1 3.96Å; V101-T115 HydrophobicContact CG1-CG2 4.4Å; V101-G116 CarbonylContact C-O 3.57Å; V101-G116 WeakPolarHBondContact CA-O 3.46Å; V101-G116 WeakPolarHBondContact CG1-O 3.02Å
102	T	98	Very high	95.2	Very high	25 Å²	25	48.5 Å²	48.5	15%	0.153	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-21.3	-172.4	54.1	0	0	0	0	112.6	G116 E118 V144 T145	T102-G116 PolarHBondContact N-O 3.3Å; T102-G116 PolarHBondContact OG1-O 3.31Å; T102-E118 HydrophobicContact CG2-CG 3.97Å; T102-V144 PolarHBondContact OG1-O 3.45Å; T102-T145 WeakPolarHBondContact CB-O 3.2Å
103	A	98.2	Very high	95.4	Very high	2 Å²	2	47 Å²	47	2%	0.017	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.4	177.9	0	0	0	0	0	111.1	V101 T115 G116 V147	V101-A103 WeakPolarHBondContact CG1-O 3.16Å; A103-T115 CarbonylContact O-C 3.57Å; A103-T115 WeakPolarHBondContact O-CA 3.32Å; A103-T115 WeakPolarHBondContact O-CB 3.49Å; A103-G116 PolarHBondContact N-O 2.99Å; A103-G116 PolarHBondContact O-N 3.15Å; A103-V147 HydrophobicContact CB-CB 3.85Å; A103-V147 HydrophobicContact CB-CG2 3.97Å
104	I	98.4	Very high	95.6	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.041	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	142.8	171.2	-62.8	-177.6	0	0	0	107.3	E62 A71 A73 I78 V101 Y114 T115	E62-I104 HydrophobicContact CB-CG2 4.42Å; A71-I104 HydrophobicContact CB-CD1 4.38Å; A71-I104 HydrophobicContact CB-CG2 4.01Å; A73-I104 HydrophobicContact CB-CD1 3.43Å; A73-I104 VanDerWaalsContact CB-CD1 3.43Å; A73-I104 HydrophobicContact CB-CG1 3.83Å; A73-I104 VanDerWaalsContact N-CD1 3.26Å; I78-I104 HydrophobicContact CG2-CD1 3.79Å; V101-I104 HydrophobicContact CG1-CD1 4.36Å; V101-I104 HydrophobicContact CG1-CG1 3.96Å; I104-Y114 WeakPolarHBondContact CA-O 3.35Å; I104-T115 HydrophobicContact CG1-CG2 3.89Å
105	G	98.2	Very high	95.9	Very high	1 Å²	1	45 Å²	45	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	174.3	161.1	0	0	0	0	0	111.8	M113 Y114	G105-M113 CarbonylContact O-C 3.55Å; G105-M113 VanDerWaalsContact O-CA 3.3Å; G105-M113 WeakPolarHBondContact O-CA 3.5Å; G105-M113 WeakPolarHBondContact O-CB 3.14Å; G105-Y114 VanDerWaalsContact CA-CZ 3.42Å; G105-Y114 PolarHBondContact N-O 3.14Å; G105-Y114 WeakPolarHBondContact O-CD1 3.42Å; G105-Y114 PolarHBondContact O-N 3.31Å
106	F	98.2	Very high	96.3	Very high	16 Å²	16	39.4 Å²	39.4	7%	0.07	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	152.1	-174.8	-62.5	-78.9	0	0	0	110.8	E62 T64 P65 A71 M80 M113 M127	E62-F106 HydrophobicContact CB-CD2 4.21Å; E62-F106 HydrophobicContact CB-CE2 3.9Å; T64-F106 HydrophobicContact CG2-CD1 4.15Å; T64-F106 HydrophobicContact CG2-CD2 4.31Å; T64-F106 HydrophobicContact CG2-CE1 3.71Å; T64-F106 HydrophobicContact CG2-CE2 3.85Å; T64-F106 HydrophobicContact CG2-CG 4.43Å; T64-F106 HydrophobicContact CG2-CZ 3.52Å; P65-F106 VanDerWaalsContact CD-CB 3.45Å; P65-F106 HydrophobicContact CG-CB 3.92Å; A71-F106 HydrophobicContact CB-CE2 4.11Å; A71-F106 HydrophobicContact CB-CZ 3.56Å; M80-F106 HydrophobicContact CE-CE1 4.05Å; M80-F106 HydrophobicContact CE-CZ 4Å; F106-M113 HydrophobicContact CD1-CB 3.57Å; F106-M113 HydrophobicContact CE1-CB 3.76Å; F106-M113 HydrophobicContact CE1-SD 4.21Å; F106-M113 HydrophobicContact CG-CB 4.49Å; F106-M127 HydrophobicContact CD1-CE 4.12Å; F106-M127 HydrophobicContact CD1-SD 3.61Å; F106-M127 HydrophobicContact CE1-CE 3.85Å; F106-M127 HydrophobicContact CE1-SD 3.82Å
107	N	96.9	Very high	96.8	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.011	17%	0.174	C	C	.	.			trans	-80.8	149.8	166.2	97.1	-68.6	0	0	0	110.3	P65 N109 M110 R111 W112 L149	P65-N107 WeakPolarHBondContact CG-O 3.36Å; N107-N109 PolarHBondContact ND2-N 3.43Å; N107-N109 PolarHBondContact ND2-OD1 2.84Å; N107-N109 PolarHBondContact O-N 3.28Å; N107-N109 VanDerWaalsContact O-N 3.09Å; N107-M110 PolarHBondContact O-N 3.48Å; N107-M110 VanDerWaalsContact O-N 3.14Å; N107-M110 PolarHBondContact OD1-N 3.38Å; N107-R111 PolarHBondContact OD1-N 2.87Å; N107-W112 HydrophobicContact CB-CD2 3.49Å; N107-W112 VanDerWaalsContact CB-CD2 3.49Å; N107-W112 HydrophobicContact CB-CE3 3.85Å; N107-W112 HydrophobicContact CB-CG 4.07Å; N107-W112 HydrophobicContact CB-CH2 3.81Å; N107-W112 HydrophobicContact CB-CZ2 3.44Å; N107-W112 VanDerWaalsContact CB-CZ2 3.44Å; N107-W112 HydrophobicContact CB-CZ3 4Å; N107-W112 WeakPolarHBondContact CB-O 3.43Å; N107-W112 PolarHBondContact N-O 3.2Å; N107-W112 PolarHBondContact ND2-NE1 2.79Å; N107-W112 PolarHBondContact OD1-N 2.8Å; N107-W112 PolarHBondContact OD1-O 3.37Å; N107-L149 HydrophobicContact CB-CD2 4.28Å
108	A	94.8	Very high	97	Very high	67 Å²	67	39.1 Å²	39.1	55%	0.554	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-28	-170.4	0	0	0	0	0	114.5	Q153	A108-Q153 HydrophobicContact CB-CG 4.4Å
109	N	93.9	Very high	97.2	Very high	85 Å²	85	32.6 Å²	32.6	46%	0.455	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	14.8	-177.4	73.8	27.6	0	0	0	114.6	N107 R111	N107-N109 PolarHBondContact ND2-N 3.43Å; N107-N109 PolarHBondContact ND2-OD1 2.84Å; N107-N109 PolarHBondContact O-N 3.28Å; N107-N109 VanDerWaalsContact O-N 3.09Å; N109-R111 PolarHBondContact O-N 2.84Å; N109-R111 WeakPolarHBondContact OD1-CB 3.3Å; N109-R111 WeakPolarHBondContact OD1-CD 3.43Å; N109-R111 WeakPolarHBondContact OD1-CG 3.44Å; N109-R111 PolarHBondContact OD1-N 2.97Å
110	M	94.1	Very high	97.3	Very high	41 Å²	41	29 Å²	29	20%	0.202	15%	0.146	C	C	.	.	S	Bend	trans	58.8	32.5	172.7	-67	-68.8	-69.9	0	0	114.1	T64 P65 D66 N107 M127	T64-M110 HydrophobicContact CG2-CE 3.7Å; T64-M110 HydrophobicContact CG2-SD 4.15Å; P65-M110 HydrophobicContact CB-CG 4Å; P65-M110 HydrophobicContact CB-SD 3.9Å; P65-M110 WeakPolarHBondContact CD-SD 3.48Å; P65-M110 HydrophobicContact CG-CG 4.13Å; P65-M110 HydrophobicContact CG-SD 3.61Å; D66-M110 WeakPolarHBondContact OD1-CE 3.33Å; N107-M110 PolarHBondContact O-N 3.48Å; N107-M110 VanDerWaalsContact O-N 3.14Å; N107-M110 PolarHBondContact OD1-N 3.38Å; M110-M127 HydrophobicContact CE-CE 3.87Å
111	R	94.7	Very high	97.3	Very high	131 Å²	131	27.9 Å²	27.9	49%	0.494	14%	0.14	S	C	.	.	S	Bend	trans	-92.8	-39.1	175.1	-77.4	176.4	-166.3	-153	3.4	111.8	N107 N109 M127 R128	N107-R111 PolarHBondContact OD1-N 2.87Å; N109-R111 PolarHBondContact O-N 2.84Å; N109-R111 WeakPolarHBondContact OD1-CB 3.3Å; N109-R111 WeakPolarHBondContact OD1-CD 3.43Å; N109-R111 WeakPolarHBondContact OD1-CG 3.44Å; N109-R111 PolarHBondContact OD1-N 2.97Å; R111-M127 PolarHBondContact O-N 2.71Å; R111-R128 VanDerWaalsContact CG-NH2 3.31Å
112	W	96.8	Very high	97.3	Very high	44 Å²	44	27.9 Å²	27.9	17%	0.167	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	154.6	-173.8	55.3	-93.4	0	0	0	111.4	N107 Y114 I124 W125 L149 Q153 L170	N107-W112 HydrophobicContact CB-CD2 3.49Å; N107-W112 VanDerWaalsContact CB-CD2 3.49Å; N107-W112 HydrophobicContact CB-CE3 3.85Å; N107-W112 HydrophobicContact CB-CG 4.07Å; N107-W112 HydrophobicContact CB-CH2 3.81Å; N107-W112 HydrophobicContact CB-CZ2 3.44Å; N107-W112 VanDerWaalsContact CB-CZ2 3.44Å; N107-W112 HydrophobicContact CB-CZ3 4Å; N107-W112 WeakPolarHBondContact CB-O 3.43Å; N107-W112 PolarHBondContact N-O 3.2Å; N107-W112 PolarHBondContact ND2-NE1 2.79Å; N107-W112 PolarHBondContact OD1-N 2.8Å; N107-W112 PolarHBondContact OD1-O 3.37Å; W112-Y114 AromaticContact CZ3-CD1 3.86Å; W112-Y114 HydrophobicContact CZ3-CD1 3.86Å; W112-I124 HydrophobicContact CB-CG2 3.97Å; W112-I124 HydrophobicContact CD2-CG2 4.24Å; W112-I124 HydrophobicContact CE3-CD1 3.96Å; W112-I124 HydrophobicContact CE3-CG2 4.07Å; W112-I124 HydrophobicContact CG-CG2 4.24Å; W112-I124 HydrophobicContact CZ3-CD1 3.88Å; W112-W125 CarbonylContact C-O 3.55Å; W112-W125 WeakPolarHBondContact CA-O 3.39Å; W112-W125 WeakPolarHBondContact CB-O 3.43Å; W112-L149 HydrophobicContact CH2-CD1 3.74Å; W112-L149 HydrophobicContact CH2-CD2 3.76Å; W112-L149 HydrophobicContact CH2-CG 4.42Å; W112-L149 HydrophobicContact CZ2-CD2 4.47Å; W112-L149 HydrophobicContact CZ3-CD2 4.32Å; W112-Q153 WeakPolarHBondContact CZ2-O 3.47Å; W112-L170 HydrophobicContact CH2-CD1 3.57Å; W112-L170 HydrophobicContact CZ2-CD1 3.87Å; W112-L170 HydrophobicContact CZ3-CD1 4.16Å
113	M	97.8	Very high	97.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	158.1	170.3	67	170.8	-163.1	0	0	109.6	I78 Y94 G105 F106 T115 I124 W125 M127	I78-M113 HydrophobicContact CD1-CE 4.22Å; I78-M113 HydrophobicContact CG2-CE 3.98Å; Y94-M113 HydrophobicContact CD1-CE 3.79Å; Y94-M113 HydrophobicContact CD2-CE 3.38Å; Y94-M113 HydrophobicContact CD2-SD 4.42Å; Y94-M113 HydrophobicContact CE1-CE 3.79Å; Y94-M113 HydrophobicContact CE2-CE 3.37Å; Y94-M113 HydrophobicContact CE2-SD 3.93Å; Y94-M113 HydrophobicContact CG-CE 3.59Å; G105-M113 CarbonylContact O-C 3.55Å; G105-M113 VanDerWaalsContact O-CA 3.3Å; G105-M113 WeakPolarHBondContact O-CA 3.5Å; G105-M113 WeakPolarHBondContact O-CB 3.14Å; F106-M113 HydrophobicContact CD1-CB 3.57Å; F106-M113 HydrophobicContact CE1-CB 3.76Å; F106-M113 HydrophobicContact CE1-SD 4.21Å; F106-M113 HydrophobicContact CG-CB 4.49Å; M113-T115 HydrophobicContact CE-CG2 4.48Å; M113-I124 WeakPolarHBondContact O-CA 3.36Å; M113-W125 HydrophobicContact CE-CB 3.66Å; M113-W125 HydrophobicContact CE-CD2 3.92Å; M113-W125 HydrophobicContact CE-CG 3.42Å; M113-W125 VanDerWaalsContact CE-CG 3.42Å; M113-W125 HydrophobicContact CG-CB 3.67Å; M113-W125 HydrophobicContact CG-CG 4.02Å; M113-W125 PolarHBondContact N-O 3.02Å; M113-W125 PolarHBondContact O-N 3.18Å; M113-M127 HydrophobicContact CB-CG 4.41Å; M113-M127 HydrophobicContact CB-SD 4.21Å; M113-M127 HydrophobicContact CG-CG 4.33Å
114	Y	98.5	Very high	97.3	Very high	24 Å²	24	28 Å²	28	9%	0.094	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	150.3	173.7	62.7	-89.9	0	0	0	110.8	I104 G105 W112 R123 V147 L149 L156	I104-Y114 WeakPolarHBondContact CA-O 3.35Å; G105-Y114 VanDerWaalsContact CA-CZ 3.42Å; G105-Y114 PolarHBondContact N-O 3.14Å; G105-Y114 WeakPolarHBondContact O-CD1 3.42Å; G105-Y114 PolarHBondContact O-N 3.31Å; W112-Y114 AromaticContact CZ3-CD1 3.86Å; W112-Y114 HydrophobicContact CZ3-CD1 3.86Å; Y114-R123 CarbonylContact C-O 3.53Å; Y114-R123 WeakPolarHBondContact CA-O 3.26Å; Y114-V147 HydrophobicContact CD2-CB 3.98Å; Y114-V147 HydrophobicContact CD2-CG1 3.44Å; Y114-V147 VanDerWaalsContact CD2-CG1 3.44Å; Y114-V147 HydrophobicContact CE2-CB 4.02Å; Y114-V147 HydrophobicContact CE2-CG1 3.68Å; Y114-V147 HydrophobicContact CG-CG1 4.43Å; Y114-L149 HydrophobicContact CD1-CB 4.27Å; Y114-L149 HydrophobicContact CD1-CD2 4.49Å; Y114-L149 HydrophobicContact CE1-CB 3.47Å; Y114-L149 VanDerWaalsContact CE1-CB 3.47Å; Y114-L149 HydrophobicContact CE1-CD2 4.06Å; Y114-L149 HydrophobicContact CE1-CG 4.37Å; Y114-L149 PolarHBondContact OH-N 2.91Å; Y114-L156 HydrophobicContact CD1-CD2 3.88Å; Y114-L156 HydrophobicContact CD2-CD2 3.88Å; Y114-L156 HydrophobicContact CE1-CD2 4.15Å; Y114-L156 HydrophobicContact CE2-CD2 4.14Å; Y114-L156 HydrophobicContact CG-CD1 4.45Å; Y114-L156 HydrophobicContact CG-CD2 3.71Å
115	T	98.5	Very high	97.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	151.2	174.3	64	0	0	0	0	111.9	I78 V101 A103 I104 M113 A122 R123 W125	I78-T115 HydrophobicContact CD1-CG2 3.61Å; I78-T115 HydrophobicContact CG1-CG2 4.28Å; V101-T115 HydrophobicContact CG1-CG2 4.4Å; A103-T115 CarbonylContact O-C 3.57Å; A103-T115 WeakPolarHBondContact O-CA 3.32Å; A103-T115 WeakPolarHBondContact O-CB 3.49Å; I104-T115 HydrophobicContact CG1-CG2 3.89Å; M113-T115 HydrophobicContact CE-CG2 4.48Å; T115-A122 CarbonylContact O-C 3.53Å; T115-A122 VanDerWaalsContact O-CA 3.23Å; T115-A122 WeakPolarHBondContact O-CA 3.48Å; T115-R123 PolarHBondContact N-O 2.71Å; T115-R123 PolarHBondContact O-N 3.13Å; T115-W125 PolarHBondContact OG1-NE1 3.15Å
116	G	98.4	Very high	97.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	154	167.3	0	0	0	0	0	110.9	V101 T102 A103	V101-G116 CarbonylContact C-O 3.57Å; V101-G116 WeakPolarHBondContact CA-O 3.46Å; V101-G116 WeakPolarHBondContact CG1-O 3.02Å; T102-G116 PolarHBondContact N-O 3.3Å; T102-G116 PolarHBondContact OG1-O 3.31Å; A103-G116 PolarHBondContact N-O 2.99Å; A103-G116 PolarHBondContact O-N 3.15Å
117	G	98	Very high	96.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	170.2	179.3	0	0	0	0	0	116.4	N100 D119 H120 S121 V144	N100-G117 CarbonylContact O-C 3.57Å; N100-G117 WeakPolarHBondContact O-CA 3.36Å; G117-D119 PolarHBondContact O-N 2.93Å; G117-D119 VanDerWaalsContact O-N 3.14Å; G117-H120 PolarHBondContact O-N 3.12Å; G117-H120 VanDerWaalsContact O-N 3.15Å; G117-S121 PolarHBondContact N-O 3.11Å; G117-S121 VanDerWaalsContact N-O 3.15Å; G117-V144 CarbonylContact C-O 3.6Å; G117-V144 WeakPolarHBondContact O-CB 3.47Å; G117-V144 PolarHBondContact O-N 3.29Å
118	E	98.3	Very high	96.5	Very high	61 Å²	61	38.7 Å²	38.7	29%	0.285	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-0.1	-179	-70.7	-178.5	169.6	0	0	114.4	R99 N100 T102 H120 P143	R99-E118 HydrophobicContact CB-CB 3.83Å; R99-E118 WeakPolarHBondContact CD-O 3.37Å; R99-E118 PolarHBondContact NH1-O 3.14Å; N100-E118 HydrophobicContact CB-CB 4.39Å; N100-E118 HydrophobicContact CB-CG 4.04Å; N100-E118 WeakPolarHBondContact CB-OE2 3.24Å; N100-E118 PolarHBondContact ND2-OE2 3.01Å; N100-E118 PolarHBondContact O-N 2.82Å; T102-E118 HydrophobicContact CG2-CG 3.97Å; E118-H120 PolarHBondContact O-CD2 2.98Å; E118-P143 HydrophobicContact CB-CB 4.32Å; E118-P143 HydrophobicContact CG-CB 4.34Å
119	D	97.6	Very high	96.2	Very high	21 Å²	21	36.5 Å²	36.5	11%	0.112	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	16.4	168.3	63.1	-3.2	0	0	0	113	K98 R99 G117 S121 R123 Q139	K98-D119 HydrophobicContact CB-CB 4.24Å; K98-D119 PolarHBondContact N-OD2 2.67Å; K98-D119 VanDerWaalsContact N-OD2 3.11Å; R99-D119 HydrophobicContact CB-CB 4.13Å; R99-D119 HydrophobicContact CG-CB 4.19Å; G117-D119 PolarHBondContact O-N 2.93Å; G117-D119 VanDerWaalsContact O-N 3.14Å; D119-S121 VanDerWaalsContact C-N 3.28Å; D119-S121 PolarHBondContact O-N 2.85Å; D119-S121 PolarHBondContact O-OG 2.93Å; D119-R123 VanDerWaalsContact CG-NH1 3.34Å; D119-R123 IonicContact OD1-CZ 3.91Å; D119-R123 IonicContact OD1-NH1 3.29Å; D119-R123 PolarHBondContact OD1-NH1 2.91Å; D119-R123 IonicContact OD1-NH2 2.7Å; D119-R123 IonicContact OD2-CZ 2.74Å; D119-R123 VanDerWaalsContact OD2-CZ 3.29Å; D119-R123 IonicContact OD2-NH1 3.48Å; D119-R123 PolarHBondContact OD2-NH1 3.47Å; D119-R123 VanDerWaalsContact OD2-NH1 3.09Å; D119-R123 IonicContact OD2-NH2 3.93Å; D119-R123 PolarHBondContact OD2-NH2 3.09Å; D119-Q139 PolarHBondContact O-NE2 2.84Å
120	H	98.2	Very high	95.7	Very high	52 Å²	52	44.4 Å²	44.4	24%	0.241	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	27.5	172.5	-36.3	173.3	0	0	0	112.5	G117 E118 Q139 V140 T141 T142	G117-H120 PolarHBondContact O-N 3.12Å; G117-H120 VanDerWaalsContact O-N 3.15Å; E118-H120 PolarHBondContact O-CD2 2.98Å; H120-Q139 PolarHBondContact O-NE2 3.43Å; H120-V140 HydrophobicContact CB-CG2 4.23Å; H120-V140 VanDerWaalsContact CB-O 3.31Å; H120-V140 WeakPolarHBondContact CB-O 3.18Å; H120-V140 VanDerWaalsContact O-CG2 3.24Å; H120-V140 WeakPolarHBondContact O-CG2 3.49Å; H120-V140 PolarHBondContact O-N 2.82Å; H120-T141 PolarHBondContact ND1-O 2.99Å; H120-T142 WeakPolarHBondContact CB-O 3.4Å
121	S	98	Very high	95.4	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.1	-176.7	-45.5	0	0	0	0	111.5	G117 D119 R123 F138 Q139	G117-S121 PolarHBondContact N-O 3.11Å; G117-S121 VanDerWaalsContact N-O 3.15Å; D119-S121 VanDerWaalsContact C-N 3.28Å; D119-S121 PolarHBondContact O-N 2.85Å; D119-S121 PolarHBondContact O-OG 2.93Å; S121-R123 PolarHBondContact OG-NH2 2.84Å; S121-F138 WeakPolarHBondContact CA-O 3.39Å; S121-Q139 PolarHBondContact OG-OE1 3.41Å
122	A	98.3	Very high	95.1	Very high	1 Å²	1	42 Å²	42	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	143.5	153.7	0	0	0	0	0	109	T115 I137 F138 V147 V158 W168	T115-A122 CarbonylContact O-C 3.53Å; T115-A122 VanDerWaalsContact O-CA 3.23Å; T115-A122 WeakPolarHBondContact O-CA 3.48Å; A122-I137 WeakPolarHBondContact O-CA 3.36Å; A122-F138 HydrophobicContact CB-CB 4.31Å; A122-F138 HydrophobicContact CB-CD1 4.39Å; A122-F138 PolarHBondContact N-O 3.38Å; A122-F138 PolarHBondContact O-N 3.37Å; A122-V147 HydrophobicContact CB-CG2 4.37Å; A122-V158 HydrophobicContact CB-CG1 4.13Å; A122-V158 HydrophobicContact CB-CG2 3.8Å; A122-W168 HydrophobicContact CB-CZ3 4.44Å
123	R	98	Very high	94.9	Very high	17 Å²	17	46.1 Å²	46.1	6%	0.064	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148.1	-172.7	-67.7	-179.8	176.3	85.2	1.2	111.7	Y114 T115 D119 S121 W125 R136 I137	Y114-R123 CarbonylContact C-O 3.53Å; Y114-R123 WeakPolarHBondContact CA-O 3.26Å; T115-R123 PolarHBondContact N-O 2.71Å; T115-R123 PolarHBondContact O-N 3.13Å; D119-R123 VanDerWaalsContact CG-NH1 3.34Å; D119-R123 IonicContact OD1-CZ 3.91Å; D119-R123 IonicContact OD1-NH1 3.29Å; D119-R123 PolarHBondContact OD1-NH1 2.91Å; D119-R123 IonicContact OD1-NH2 2.7Å; D119-R123 IonicContact OD2-CZ 2.74Å; D119-R123 VanDerWaalsContact OD2-CZ 3.29Å; D119-R123 IonicContact OD2-NH1 3.48Å; D119-R123 PolarHBondContact OD2-NH1 3.47Å; D119-R123 VanDerWaalsContact OD2-NH1 3.09Å; D119-R123 IonicContact OD2-NH2 3.93Å; D119-R123 PolarHBondContact OD2-NH2 3.09Å; S121-R123 PolarHBondContact OG-NH2 2.84Å; R123-W125 HydrophobicContact CB-CZ2 4.09Å; R123-W125 HydrophobicContact CG-CZ2 4.39Å; R123-R136 CarbonylContact C-O 3.6Å; R123-R136 WeakPolarHBondContact CA-O 3.49Å; R123-I137 HydrophobicContact CG-CG1 4.26Å
124	I	97.7	Very high	94.7	Very high	12 Å²	12	48.2 Å²	48.2	6%	0.062	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.7	167.4	-54.2	-60.5	0	0	0	109.1	W112 M113 Q135 R136 L156 W168 L170	W112-I124 HydrophobicContact CB-CG2 3.97Å; W112-I124 HydrophobicContact CD2-CG2 4.24Å; W112-I124 HydrophobicContact CE3-CD1 3.96Å; W112-I124 HydrophobicContact CE3-CG2 4.07Å; W112-I124 HydrophobicContact CG-CG2 4.24Å; W112-I124 HydrophobicContact CZ3-CD1 3.88Å; M113-I124 WeakPolarHBondContact O-CA 3.36Å; I124-Q135 PolarHBondContact O-N 3.47Å; I124-R136 HydrophobicContact CB-CB 4.1Å; I124-R136 HydrophobicContact CG1-CB 4.18Å; I124-R136 PolarHBondContact N-O 3.37Å; I124-R136 PolarHBondContact O-N 2.87Å; I124-L156 HydrophobicContact CD1-CD1 3.62Å; I124-W168 HydrophobicContact CD1-CH2 4.3Å; I124-W168 HydrophobicContact CD1-CZ3 4.06Å; I124-W168 HydrophobicContact CG1-CH2 3.68Å; I124-W168 HydrophobicContact CG1-CZ3 3.96Å; I124-L170 HydrophobicContact CD1-CD1 4.27Å; I124-L170 HydrophobicContact CD1-CD2 4.05Å; I124-L170 HydrophobicContact CG1-CD2 4.04Å
125	W	97.3	Very high	94.5	Very high	1 Å²	1	52 Å²	52	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.9	179.4	-46.4	81.7	0	0	0	108.8	I78 Y94 E95 V97 W112 M113 T115 R123 C134	I78-W125 HydrophobicContact CD1-CH2 4.17Å; I78-W125 HydrophobicContact CD1-CZ2 3.49Å; I78-W125 VanDerWaalsContact CD1-CZ2 3.49Å; Y94-W125 HydrophobicContact CD1-CB 4.4Å; Y94-W125 HydrophobicContact CD1-CD2 4.22Å; Y94-W125 AromaticContact CD1-CE3 3.69Å; Y94-W125 HydrophobicContact CD1-CE3 3.69Å; Y94-W125 HydrophobicContact CD1-CZ3 4.3Å; Y94-W125 HydrophobicContact CE1-CB 4.16Å; Y94-W125 HydrophobicContact CG-CE3 4.28Å; E95-W125 WeakPolarHBondContact O-CH2 3.29Å; E95-W125 WeakPolarHBondContact O-CZ3 3.32Å; V97-W125 HydrophobicContact CG2-CH2 3.81Å; V97-W125 HydrophobicContact CG2-CZ2 3.72Å; W112-W125 CarbonylContact C-O 3.55Å; W112-W125 WeakPolarHBondContact CA-O 3.39Å; W112-W125 WeakPolarHBondContact CB-O 3.43Å; M113-W125 HydrophobicContact CE-CB 3.66Å; M113-W125 HydrophobicContact CE-CD2 3.92Å; M113-W125 HydrophobicContact CE-CG 3.42Å; M113-W125 VanDerWaalsContact CE-CG 3.42Å; M113-W125 HydrophobicContact CG-CB 3.67Å; M113-W125 HydrophobicContact CG-CG 4.02Å; M113-W125 PolarHBondContact N-O 3.02Å; M113-W125 PolarHBondContact O-N 3.18Å; T115-W125 PolarHBondContact OG1-NE1 3.15Å; R123-W125 HydrophobicContact CB-CZ2 4.09Å; R123-W125 HydrophobicContact CG-CZ2 4.39Å; W125-C134 HydrophobicContact CD2-CB 4.49Å; W125-C134 HydrophobicContact CE3-CB 4.01Å; W125-C134 HydrophobicContact CH2-CB 4.1Å; W125-C134 HydrophobicContact CZ3-CB 3.8Å
126	D	94.9	Very high	94.4	Very high	57 Å²	57	55.4 Å²	55.4	31%	0.305	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	119.6	171.8	-178.1	-13.2	0	0	0	109	R128 A129 Q135	D126-R128 PolarHBondContact O-N 3.13Å; D126-R128 WeakPolarHBondContact OD1-CA 3.49Å; D126-R128 WeakPolarHBondContact OD1-CB 3.48Å; D126-R128 PolarHBondContact OD1-N 2.58Å; D126-A129 HydrophobicContact CB-CB 3.86Å; D126-A129 PolarHBondContact O-N 2.86Å; D126-A129 PolarHBondContact OD1-N 2.98Å; D126-Q135 HydrophobicContact CB-CG 3.77Å
127	M	92.8	Very high	94.3	Very high	39 Å²	39	59.8 Å²	59.8	19%	0.192	28%	0.28	C	S	.	.	S	Bend	trans	-77.2	-11.3	-177.5	-66.1	-178.5	65.1	0	0	113.1	T64 M80 F106 M110 R111 M113	T64-M127 HydrophobicContact CG2-CE 4.26Å; M80-M127 HydrophobicContact CE-CE 3.93Å; M80-M127 HydrophobicContact SD-CE 4.38Å; F106-M127 HydrophobicContact CD1-CE 4.12Å; F106-M127 HydrophobicContact CD1-SD 3.61Å; F106-M127 HydrophobicContact CE1-CE 3.85Å; F106-M127 HydrophobicContact CE1-SD 3.82Å; M110-M127 HydrophobicContact CE-CE 3.87Å; R111-M127 PolarHBondContact O-N 2.71Å; M113-M127 HydrophobicContact CB-CG 4.41Å; M113-M127 HydrophobicContact CB-SD 4.21Å; M113-M127 HydrophobicContact CG-CG 4.33Å
128	R	89.4	Confident	94.3	Very high	156 Å²	156	61 Å²	61	59%	0.589	29%	0.285	S	S	*	.	S	Bend	trans	-97.7	-17.4	179.1	-56.4	173.4	177.5	-172.6	-6.2	111.7	R111 D126 R130	R111-R128 VanDerWaalsContact CG-NH2 3.31Å; D126-R128 PolarHBondContact O-N 3.13Å; D126-R128 WeakPolarHBondContact OD1-CA 3.49Å; D126-R128 WeakPolarHBondContact OD1-CB 3.48Å; D126-R128 PolarHBondContact OD1-N 2.58Å; R128-R130 PolarHBondContact O-N 2.67Å
129	A	89	Confident	94.2	Very high	21 Å²	21	63.1 Å²	63.1	17%	0.174	30%	0.296	C	S	.	.			trans	-71.7	124.3	179.4	0	0	0	0	0	110.7	D126 S131 L132	D126-A129 HydrophobicContact CB-CB 3.86Å; D126-A129 PolarHBondContact O-N 2.86Å; D126-A129 PolarHBondContact OD1-N 2.98Å; A129-S131 PolarHBondContact O-N 2.85Å; A129-L132 PolarHBondContact O-N 2.91Å
130	R	84.2	Confident	94.2	Very high	251 Å²	251	62.7 Å²	62.7	95%	0.947	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.7	178.5	-68.2	-172.4	176.8	-176.5	-0.5	113.8	R128 L132	R128-R130 PolarHBondContact O-N 2.67Å; R130-L132 VanDerWaalsContact C-N 3.25Å; R130-L132 PolarHBondContact O-N 3.49Å
131	S	86.5	Confident	94	Very high	66 Å²	66	65.7 Å²	65.7	46%	0.462	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.9	-176.7	58.7	0	0	0	0	113.5	A129 Q133	A129-S131 PolarHBondContact O-N 2.85Å; S131-Q133 PolarHBondContact O-N 3.25Å
132	L	89.7	Confident	94	Very high	54 Å²	54	67.1 Å²	67.1	28%	0.283	33%	0.325	S	S	.	.			trans	51.5	24.5	-174.9	-55	179	0	0	0	113.6	V92 Y94 A129 R130	V92-L132 HydrophobicContact CG1-CD1 3.88Å; V92-L132 HydrophobicContact CG1-CD2 3.85Å; Y94-L132 HydrophobicContact CD1-CB 3.95Å; Y94-L132 HydrophobicContact CD1-CD2 4.19Å; Y94-L132 HydrophobicContact CE1-CB 4.3Å; Y94-L132 HydrophobicContact CE1-CD2 3.74Å; A129-L132 PolarHBondContact O-N 2.91Å; R130-L132 VanDerWaalsContact C-N 3.25Å; R130-L132 PolarHBondContact O-N 3.49Å
133	Q	91.8	Very high	94	Very high	131 Å²	131	68 Å²	68	61%	0.612	33%	0.33	S	S	*	.			trans	-90.1	143.7	179.8	-71.9	178.9	-4.3	0	0	111.1	S131 Q135	S131-Q133 PolarHBondContact O-N 3.25Å; Q133-Q135 PolarHBondContact O-N 3.02Å; Q133-Q135 PolarHBondContact O-NE2 3.2Å; Q133-Q135 VanDerWaalsContact O-NE2 3.11Å
134	C	94	Very high	94	Very high	44 Å²	44	67.1 Å²	67.1	30%	0.297	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	128.8	170.3	-179.6	0	0	0	0	110.2	W125 R136	W125-C134 HydrophobicContact CD2-CB 4.49Å; W125-C134 HydrophobicContact CE3-CB 4.01Å; W125-C134 HydrophobicContact CH2-CB 4.1Å; W125-C134 HydrophobicContact CZ3-CB 3.8Å; C134-R136 PolarHBondContact SG-O 3.29Å
135	Q	94.3	Very high	94	Very high	103 Å²	103	67 Å²	67	48%	0.481	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-38.1	-179	-65.7	-56.9	-55.3	0	0	112.2	I124 D126 Q133	I124-Q135 PolarHBondContact O-N 3.47Å; D126-Q135 HydrophobicContact CB-CG 3.77Å; Q133-Q135 PolarHBondContact O-N 3.02Å; Q133-Q135 PolarHBondContact O-NE2 3.2Å; Q133-Q135 VanDerWaalsContact O-NE2 3.11Å
136	R	95.5	Very high	94	Very high	73 Å²	73	67 Å²	67	28%	0.275	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143	-179.9	-60.5	174.3	70.8	176.3	11.6	110	R123 I124 C134 W168 L170 D173	R123-R136 CarbonylContact C-O 3.6Å; R123-R136 WeakPolarHBondContact CA-O 3.49Å; I124-R136 HydrophobicContact CB-CB 4.1Å; I124-R136 HydrophobicContact CG1-CB 4.18Å; I124-R136 PolarHBondContact N-O 3.37Å; I124-R136 PolarHBondContact O-N 2.87Å; C134-R136 PolarHBondContact SG-O 3.29Å; R136-W168 HydrophobicContact CB-CH2 4.2Å; R136-W168 HydrophobicContact CB-CZ2 4.34Å; R136-L170 VanDerWaalsContact CZ-O 3.25Å; R136-L170 PolarHBondContact NH1-O 3.01Å; R136-L170 PolarHBondContact NH2-O 3.4Å; R136-D173 IonicContact CZ-OD1 2.69Å; R136-D173 IonicContact CZ-OD2 3.09Å; R136-D173 IonicContact NE-OD1 3.68Å; R136-D173 IonicContact NH2-OD1 3.85Å; R136-D173 PolarHBondContact NH2-OD1 2.88Å; R136-D173 IonicContact NH2-OD2 3.71Å; R136-D173 PolarHBondContact NH2-OD2 2.93Å
137	I	96.5	Very high	94.2	Very high	93 Å²	93	64.6 Å²	64.6	48%	0.477	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.2	179.7	-168.2	167.3	0	0	0	109.1	A122 R123	A122-I137 WeakPolarHBondContact O-CA 3.36Å; R123-I137 HydrophobicContact CG-CG1 4.26Å
138	F	97.6	Very high	94.5	Very high	25 Å²	25	63.3 Å²	63.3	11%	0.11	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113.6	170.6	178.4	-105.3	0	0	0	107.7	S121 A122 V140 V158 H166 W168 N175	S121-F138 WeakPolarHBondContact CA-O 3.39Å; A122-F138 HydrophobicContact CB-CB 4.31Å; A122-F138 HydrophobicContact CB-CD1 4.39Å; A122-F138 PolarHBondContact N-O 3.38Å; A122-F138 PolarHBondContact O-N 3.37Å; F138-V140 HydrophobicContact CD1-CG1 3.99Å; F138-V140 HydrophobicContact CE1-CG1 3.43Å; F138-V140 VanDerWaalsContact CE1-CG1 3.43Å; F138-V140 HydrophobicContact CZ-CG1 4.15Å; F138-V158 HydrophobicContact CD1-CG2 4.33Å; F138-H166 HydrophobicContact CE1-CB 3.74Å; F138-H166 AromaticContact CE1-CG 3.91Å; F138-H166 HydrophobicContact CZ-CB 3.92Å; F138-H166 AromaticContact CZ-ND1 3.89Å; F138-W168 HydrophobicContact CB-CD2 3.69Å; F138-W168 HydrophobicContact CB-CE3 3.62Å; F138-W168 HydrophobicContact CB-CG 4.41Å; F138-W168 HydrophobicContact CB-CH2 3.75Å; F138-W168 HydrophobicContact CB-CZ2 3.84Å; F138-W168 HydrophobicContact CB-CZ3 3.65Å; F138-W168 HydrophobicContact CD2-CB 4.49Å; F138-W168 AromaticContact CD2-CD1 3.97Å; F138-W168 HydrophobicContact CD2-CD2 4.09Å; F138-W168 AromaticContact CD2-CG 3.95Å; F138-W168 HydrophobicContact CD2-CG 3.95Å; F138-W168 HydrophobicContact CE2-CG 4.4Å; F138-W168 AromaticContact CG-CD2 3.87Å; F138-W168 HydrophobicContact CG-CD2 3.87Å; F138-W168 HydrophobicContact CG-CE3 4.09Å; F138-W168 HydrophobicContact CG-CG 4.08Å; F138-N175 HydrophobicContact CE2-CB 3.98Å; F138-N175 HydrophobicContact CZ-CB 4.2Å
139	Q	97.1	Very high	94.9	Very high	107 Å²	107	56.8 Å²	56.8	50%	0.5	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.7	-172.7	-167.1	69.2	38.2	0	0	110.3	D119 H120 S121	D119-Q139 PolarHBondContact O-NE2 2.84Å; H120-Q139 PolarHBondContact O-NE2 3.43Å; S121-Q139 PolarHBondContact OG-OE1 3.41Å
140	V	96.5	Very high	95.2	Very high	12 Å²	12	56.5 Å²	56.5	7%	0.073	28%	0.28	C	S	.	.			trans	-114	174.8	173.9	-63	0	0	0	0	110.5	H120 F138 T142 V144 D160	H120-V140 HydrophobicContact CB-CG2 4.23Å; H120-V140 VanDerWaalsContact CB-O 3.31Å; H120-V140 WeakPolarHBondContact CB-O 3.18Å; H120-V140 VanDerWaalsContact O-CG2 3.24Å; H120-V140 WeakPolarHBondContact O-CG2 3.49Å; H120-V140 PolarHBondContact O-N 2.82Å; F138-V140 HydrophobicContact CD1-CG1 3.99Å; F138-V140 HydrophobicContact CE1-CG1 3.43Å; F138-V140 VanDerWaalsContact CE1-CG1 3.43Å; F138-V140 HydrophobicContact CZ-CG1 4.15Å; V140-T142 WeakPolarHBondContact CG2-O 3.19Å; V140-V144 HydrophobicContact CG2-CG2 3.45Å; V140-V144 VanDerWaalsContact CG2-CG2 3.45Å; V140-D160 HydrophobicContact CG2-CB 4.49Å
141	T	95.1	Very high	95.7	Very high	115 Å²	115	47 Å²	47	71%	0.706	25%	0.251	S	S	*	.	S	Bend	trans	-85.8	-26.6	-173.3	52.9	0	0	0	0	113.3	H120	H120-T141 PolarHBondContact ND1-O 2.99Å
142	T	96.9	Very high	96	Very high	32 Å²	32	46.6 Å²	46.6	20%	0.196	24%	0.244	C	C	.	.	S	Bend	trans	-124.4	163.1	-179	67.2	0	0	0	0	111	H120 V140 V144 D160 Q161 S162	H120-T142 WeakPolarHBondContact CB-O 3.4Å; V140-T142 WeakPolarHBondContact CG2-O 3.19Å; T142-V144 PolarHBondContact O-N 3.3Å; T142-D160 WeakPolarHBondContact OG1-CB 2.92Å; T142-D160 VanDerWaalsContact OG1-CG 3.27Å; T142-D160 PolarHBondContact OG1-OD1 3.42Å; T142-Q161 PolarHBondContact OG1-N 3Å; T142-S162 WeakPolarHBondContact CG2-OG 3.11Å; T142-S162 PolarHBondContact OG1-N 3.27Å; T142-S162 VanDerWaalsContact OG1-N 3.07Å; T142-S162 PolarHBondContact OG1-OG 2.94Å
143	P	98.3	Very high	96.2	Very high	18 Å²	18	47 Å²	47	12%	0.117	24%	0.244	C	C	.	.			trans	-50.6	133.9	178.2	-32.3	39	0	0	0	113.5	E118 D160 Q161	E118-P143 HydrophobicContact CB-CB 4.32Å; E118-P143 HydrophobicContact CG-CB 4.34Å; P143-D160 WeakPolarHBondContact O-CA 3.46Å; P143-Q161 HydrophobicContact CB-CG 3.88Å; P143-Q161 HydrophobicContact CG-CG 4.38Å; P143-Q161 PolarHBondContact O-N 2.78Å
144	V	98.5	Very high	96.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129	172.9	175.2	0	0	0	0	108.7	T102 G117 V140 T142 V147 V158	T102-V144 PolarHBondContact OG1-O 3.45Å; G117-V144 CarbonylContact C-O 3.6Å; G117-V144 WeakPolarHBondContact O-CB 3.47Å; G117-V144 PolarHBondContact O-N 3.29Å; V140-V144 HydrophobicContact CG2-CG2 3.45Å; V140-V144 VanDerWaalsContact CG2-CG2 3.45Å; T142-V144 PolarHBondContact O-N 3.3Å; V144-V147 HydrophobicContact CG1-CG2 3.64Å; V144-V158 HydrophobicContact CB-CG1 4.4Å; V144-V158 HydrophobicContact CG1-CG1 3.68Å; V144-V158 HydrophobicContact CG2-CG1 3.8Å
145	T	98.2	Very high	96.4	Very high	10 Å²	10	41 Å²	41	6%	0.061	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-28.7	-173.3	53.9	0	0	0	0	111.9	T102 G159 Q161 M185 I186	T102-T145 WeakPolarHBondContact CB-O 3.2Å; T145-G159 PolarHBondContact N-O 3.03Å; T145-G159 PolarHBondContact OG1-O 3.19Å; T145-G159 VanDerWaalsContact OG1-O 3.11Å; T145-Q161 HydrophobicContact CG2-CG 3.49Å; T145-Q161 VanDerWaalsContact CG2-CG 3.49Å; T145-M185 HydrophobicContact CG2-CE 3.26Å; T145-M185 HydrophobicContact CG2-CG 4.24Å; T145-M185 HydrophobicContact CG2-SD 4.42Å; T145-I186 VanDerWaalsContact CB-O 3.29Å; T145-I186 WeakPolarHBondContact CB-O 3.29Å; T145-I186 PolarHBondContact OG1-O 3.45Å
146	C	98.2	Very high	96.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	147.7	-177.6	46.7	0	0	0	0	110.9	G159 I189	C146-G159 PolarHBondContact O-N 3.01Å; C146-I189 HydrophobicContact CB-CG1 3.86Å; C146-I189 WeakPolarHBondContact SG-CG1 3.33Å
147	V	98.6	Very high	96.6	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.036	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.9	174.5	-175	0	0	0	0	107.9	A103 Y114 A122 V144 L156 F157 V158	A103-V147 HydrophobicContact CB-CB 3.85Å; A103-V147 HydrophobicContact CB-CG2 3.97Å; Y114-V147 HydrophobicContact CD2-CB 3.98Å; Y114-V147 HydrophobicContact CD2-CG1 3.44Å; Y114-V147 VanDerWaalsContact CD2-CG1 3.44Å; Y114-V147 HydrophobicContact CE2-CB 4.02Å; Y114-V147 HydrophobicContact CE2-CG1 3.68Å; Y114-V147 HydrophobicContact CG-CG1 4.43Å; A122-V147 HydrophobicContact CB-CG2 4.37Å; V144-V147 HydrophobicContact CG1-CG2 3.64Å; V147-L156 HydrophobicContact CG1-CD2 3.82Å; V147-F157 CarbonylContact C-O 3.56Å; V147-F157 VanDerWaalsContact CA-O 3.24Å; V147-F157 WeakPolarHBondContact CA-O 3.43Å; V147-F157 WeakPolarHBondContact CG1-O 3.05Å; V147-V158 HydrophobicContact CG1-CG2 4.14Å; V147-V158 HydrophobicContact CG2-CG1 4.27Å; V147-V158 HydrophobicContact CG2-CG2 4.29Å
148	C	97.7	Very high	96.7	Very high	13 Å²	13	28.3 Å²	28.3	9%	0.088	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	136.2	176.8	-177.8	0	0	0	0	109.7	F157 I189	C148-F157 PolarHBondContact N-O 2.92Å; C148-F157 PolarHBondContact O-N 3.38Å; C148-I189 HydrophobicContact CB-CD1 4.47Å
149	L	97.8	Very high	96.7	Very high	18 Å²	18	27.1 Å²	27.1	9%	0.094	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.3	175.4	178.6	58.4	0	0	0	110.1	N107 W112 Y114 E155 L156	N107-L149 HydrophobicContact CB-CD2 4.28Å; W112-L149 HydrophobicContact CH2-CD1 3.74Å; W112-L149 HydrophobicContact CH2-CD2 3.76Å; W112-L149 HydrophobicContact CH2-CG 4.42Å; W112-L149 HydrophobicContact CZ2-CD2 4.47Å; W112-L149 HydrophobicContact CZ3-CD2 4.32Å; Y114-L149 HydrophobicContact CD1-CB 4.27Å; Y114-L149 HydrophobicContact CD1-CD2 4.49Å; Y114-L149 HydrophobicContact CE1-CB 3.47Å; Y114-L149 VanDerWaalsContact CE1-CB 3.47Å; Y114-L149 HydrophobicContact CE1-CD2 4.06Å; Y114-L149 HydrophobicContact CE1-CG 4.37Å; Y114-L149 PolarHBondContact OH-N 2.91Å; L149-E155 WeakPolarHBondContact CD1-O 3.2Å; L149-L156 HydrophobicContact CB-CD2 3.81Å; L149-L156 HydrophobicContact CD1-CD2 3.9Å; L149-L156 HydrophobicContact CD1-CG 4.18Å; L149-L156 HydrophobicContact CG-CD2 4.46Å
150	H	96.1	Very high	96.7	Very high	16 Å²	16	22 Å²	22	7%	0.074	13%	0.127	C	C	.	.			trans	-65.7	144.4	172	-176.1	-86.4	0	0	0	110.2	N152 Q153 E155 F157 G195	H150-N152 WeakPolarHBondContact ND1-CB 3.45Å; H150-N152 PolarHBondContact ND1-N 2.96Å; H150-N152 VanDerWaalsContact ND1-N 3.13Å; H150-N152 PolarHBondContact ND1-ND2 2.86Å; H150-N152 VanDerWaalsContact ND1-ND2 3.13Å; H150-N152 PolarHBondContact ND1-OD1 3.1Å; H150-N152 VanDerWaalsContact ND1-OD1 3.15Å; H150-N152 PolarHBondContact O-N 2.94Å; H150-Q153 PolarHBondContact O-N 2.86Å; H150-E155 HydrophobicContact CB-CB 3.94Å; H150-E155 VanDerWaalsContact CB-O 3.26Å; H150-E155 WeakPolarHBondContact CB-O 3.4Å; H150-E155 PolarHBondContact N-O 3.23Å; H150-F157 HydrophobicContact CB-CE2 4.08Å; H150-F157 AromaticContact CD2-CE2 3.94Å; H150-G195 WeakPolarHBondContact NE2-CA 3.36Å; H150-G195 PolarHBondContact NE2-O 2.86Å
151	P	94.7	Very high	96.7	Very high	50 Å²	50	25.2 Å²	25.2	33%	0.325	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-25.4	-177.7	-30.9	36.6	0	0	0	115.5	Q153 V191 D192 N193	P151-Q153 WeakPolarHBondContact O-CG 3.41Å; P151-Q153 PolarHBondContact O-N 2.79Å; P151-Q153 VanDerWaalsContact O-N 3.11Å; P151-Q153 PolarHBondContact O-NE2 3.19Å; P151-Q153 VanDerWaalsContact O-NE2 3.1Å; P151-V191 HydrophobicContact CG-CG1 4.49Å; P151-D192 VanDerWaalsContact CG-O 3.27Å; P151-D192 WeakPolarHBondContact CG-O 3.37Å; P151-N193 WeakPolarHBondContact CG-O 3.2Å
152	N	93	Very high	96.8	Very high	59 Å²	59	21.3 Å²	21.3	32%	0.316	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-5.6	174.2	73	7.4	0	0	0	115.4	H150 V154 E155	H150-N152 WeakPolarHBondContact ND1-CB 3.45Å; H150-N152 PolarHBondContact ND1-N 2.96Å; H150-N152 VanDerWaalsContact ND1-N 3.13Å; H150-N152 PolarHBondContact ND1-ND2 2.86Å; H150-N152 VanDerWaalsContact ND1-ND2 3.13Å; H150-N152 PolarHBondContact ND1-OD1 3.1Å; H150-N152 VanDerWaalsContact ND1-OD1 3.15Å; H150-N152 PolarHBondContact O-N 2.94Å; N152-V154 HydrophobicContact CB-CG2 4.17Å; N152-V154 VanDerWaalsContact CG-CG2 3.43Å; N152-V154 PolarHBondContact O-N 2.7Å; N152-V154 VanDerWaalsContact O-N 3.13Å; N152-V154 WeakPolarHBondContact OD1-CG2 3.27Å; N152-V154 PolarHBondContact OD1-N 2.91Å; N152-E155 PolarHBondContact ND2-OE2 3.05Å; N152-E155 PolarHBondContact OD1-N 2.62Å
153	Q	94.7	Very high	96.7	Very high	62 Å²	62	19.8 Å²	19.8	29%	0.29	11%	0.109	S	C	.	.	S	Bend	trans	63.4	12.9	176.9	-52	-59.9	-64	0	0	115.5	A108 W112 H150 P151	A108-Q153 HydrophobicContact CB-CG 4.4Å; W112-Q153 WeakPolarHBondContact CZ2-O 3.47Å; H150-Q153 PolarHBondContact O-N 2.86Å; P151-Q153 WeakPolarHBondContact O-CG 3.41Å; P151-Q153 PolarHBondContact O-N 2.79Å; P151-Q153 VanDerWaalsContact O-N 3.11Å; P151-Q153 PolarHBondContact O-NE2 3.19Å; P151-Q153 VanDerWaalsContact O-NE2 3.1Å
154	V	93.7	Very high	96.6	Very high	39 Å²	39	19.7 Å²	19.7	24%	0.236	11%	0.109	C	C	.	.	S	Bend	trans	-128.3	-9.7	-177.3	-64	0	0	0	0	113.6	N152 L170 R171	N152-V154 HydrophobicContact CB-CG2 4.17Å; N152-V154 VanDerWaalsContact CG-CG2 3.43Å; N152-V154 PolarHBondContact O-N 2.7Å; N152-V154 VanDerWaalsContact O-N 3.13Å; N152-V154 WeakPolarHBondContact OD1-CG2 3.27Å; N152-V154 PolarHBondContact OD1-N 2.91Å; V154-L170 WeakPolarHBondContact O-CB 3.27Å; V154-L170 PolarHBondContact O-N 3.31Å; V154-R171 HydrophobicContact CB-CG 4.13Å; V154-R171 HydrophobicContact CG1-CG 4.19Å
155	E	94.5	Very high	96.5	Very high	9 Å²	9	19.7 Å²	19.7	4%	0.042	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.1	-179	-77.6	173.6	150.1	0	0	111.2	L149 H150 N152 L167 W168 D169 R223	L149-E155 WeakPolarHBondContact CD1-O 3.2Å; H150-E155 HydrophobicContact CB-CB 3.94Å; H150-E155 VanDerWaalsContact CB-O 3.26Å; H150-E155 WeakPolarHBondContact CB-O 3.4Å; H150-E155 PolarHBondContact N-O 3.23Å; N152-E155 PolarHBondContact ND2-OE2 3.05Å; N152-E155 PolarHBondContact OD1-N 2.62Å; E155-L167 HydrophobicContact CB-CD1 3.71Å; E155-L167 HydrophobicContact CG-CD1 4.02Å; E155-W168 WeakPolarHBondContact CA-O 3.08Å; E155-D169 HydrophobicContact CG-CB 4.44Å; E155-R223 IonicContact OE1-CZ 3.68Å; E155-R223 IonicContact OE1-NH1 2.93Å; E155-R223 PolarHBondContact OE1-NH1 3.05Å; E155-R223 IonicContact OE2-CZ 3.41Å; E155-R223 IonicContact OE2-NH1 2.71Å; E155-R223 PolarHBondContact OE2-NH1 2.89Å
156	L	97.3	Very high	96.5	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.4	173.9	-77.1	166.5	0	0	0	110.4	Y114 I124 V147 L149 L167 W168 L170	Y114-L156 HydrophobicContact CD1-CD2 3.88Å; Y114-L156 HydrophobicContact CD2-CD2 3.88Å; Y114-L156 HydrophobicContact CE1-CD2 4.15Å; Y114-L156 HydrophobicContact CE2-CD2 4.14Å; Y114-L156 HydrophobicContact CG-CD1 4.45Å; Y114-L156 HydrophobicContact CG-CD2 3.71Å; I124-L156 HydrophobicContact CD1-CD1 3.62Å; V147-L156 HydrophobicContact CG1-CD2 3.82Å; L149-L156 HydrophobicContact CB-CD2 3.81Å; L149-L156 HydrophobicContact CD1-CD2 3.9Å; L149-L156 HydrophobicContact CD1-CG 4.18Å; L149-L156 HydrophobicContact CG-CD2 4.46Å; L156-L167 WeakPolarHBondContact O-CA 3.31Å; L156-W168 HydrophobicContact CB-CE3 4.35Å; L156-W168 HydrophobicContact CD1-CE3 3.73Å; L156-W168 HydrophobicContact CD1-CZ3 3.88Å; L156-W168 PolarHBondContact N-O 2.83Å; L156-W168 PolarHBondContact O-N 2.81Å; L156-L170 HydrophobicContact CD1-CD1 4.17Å; L156-L170 HydrophobicContact CD1-CD2 4.16Å; L156-L170 HydrophobicContact CD1-CG 4.46Å; L156-L170 HydrophobicContact CG-CD1 4.45Å
157	F	97.7	Very high	96.3	Very high	3 Å²	3	20 Å²	20	1%	0.013	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129	163.1	-65.1	-82.4	0	0	0	109.3	V147 C148 H150 I165 H166 L167 I189 V191 L198 L212	V147-F157 CarbonylContact C-O 3.56Å; V147-F157 VanDerWaalsContact CA-O 3.24Å; V147-F157 WeakPolarHBondContact CA-O 3.43Å; V147-F157 WeakPolarHBondContact CG1-O 3.05Å; C148-F157 PolarHBondContact N-O 2.92Å; C148-F157 PolarHBondContact O-N 3.38Å; H150-F157 HydrophobicContact CB-CE2 4.08Å; H150-F157 AromaticContact CD2-CE2 3.94Å; F157-I165 HydrophobicContact CB-CG2 4.39Å; F157-I165 HydrophobicContact CD1-CG2 4.05Å; F157-H166 CarbonylContact C-O 3.54Å; F157-H166 VanDerWaalsContact CA-O 3.28Å; F157-H166 WeakPolarHBondContact CA-O 3.44Å; F157-L167 HydrophobicContact CD1-CB 4.3Å; F157-L167 HydrophobicContact CD1-CD1 4.16Å; F157-L167 HydrophobicContact CE1-CB 4.15Å; F157-L167 HydrophobicContact CE1-CD1 3.77Å; F157-L167 HydrophobicContact CE1-CD2 4.42Å; F157-L167 HydrophobicContact CE1-CG 4.35Å; F157-L167 HydrophobicContact CE2-CD1 4.29Å; F157-L167 HydrophobicContact CZ-CD1 3.85Å; F157-I189 HydrophobicContact CB-CD1 3.66Å; F157-I189 WeakPolarHBondContact O-CD1 3.23Å; F157-V191 HydrophobicContact CD2-CG2 3.45Å; F157-V191 VanDerWaalsContact CD2-CG2 3.45Å; F157-V191 HydrophobicContact CE2-CG2 3.48Å; F157-V191 VanDerWaalsContact CE2-CG2 3.48Å; F157-V191 HydrophobicContact CG-CG2 4.44Å; F157-V191 HydrophobicContact CZ-CG2 4.49Å; F157-L198 HydrophobicContact CD1-CD1 4.24Å; F157-L198 HydrophobicContact CD1-CD2 3.88Å; F157-L198 HydrophobicContact CD2-CD1 4.22Å; F157-L198 HydrophobicContact CE1-CD2 3.85Å; F157-L198 HydrophobicContact CG-CD1 4.06Å; F157-L198 HydrophobicContact CZ-CD2 4.46Å; F157-L212 HydrophobicContact CE2-CD1 4.23Å; F157-L212 HydrophobicContact CZ-CD1 3.98Å; F157-L212 HydrophobicContact CZ-CD2 4Å
158	V	98.5	Very high	96.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	115.6	179.6	-179.8	0	0	0	0	108	A122 F138 V144 V147 I165 H166	A122-V158 HydrophobicContact CB-CG1 4.13Å; A122-V158 HydrophobicContact CB-CG2 3.8Å; F138-V158 HydrophobicContact CD1-CG2 4.33Å; V144-V158 HydrophobicContact CB-CG1 4.4Å; V144-V158 HydrophobicContact CG1-CG1 3.68Å; V144-V158 HydrophobicContact CG2-CG1 3.8Å; V147-V158 HydrophobicContact CG1-CG2 4.14Å; V147-V158 HydrophobicContact CG2-CG1 4.27Å; V147-V158 HydrophobicContact CG2-CG2 4.29Å; V158-I165 CarbonylContact O-C 3.45Å; V158-I165 WeakPolarHBondContact O-CA 3.27Å; V158-H166 HydrophobicContact CB-CB 4.22Å; V158-H166 PolarHBondContact N-O 3.45Å; V158-H166 PolarHBondContact O-CD2 3.38Å; V158-H166 PolarHBondContact O-N 3.23Å
159	G	97.9	Very high	96	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.8	175.2	0	0	0	0	0	111.5	T145 C146 T164	T145-G159 PolarHBondContact N-O 3.03Å; T145-G159 PolarHBondContact OG1-O 3.19Å; T145-G159 VanDerWaalsContact OG1-O 3.11Å; C146-G159 PolarHBondContact O-N 3.01Å; G159-T164 WeakPolarHBondContact CA-O 3.42Å
160	D	97.2	Very high	95.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	173.2	-178.7	73.2	27.3	0	0	0	114.5	V140 T142 P143 S162 G163 T164 H166 I186	V140-D160 HydrophobicContact CG2-CB 4.49Å; T142-D160 WeakPolarHBondContact OG1-CB 2.92Å; T142-D160 VanDerWaalsContact OG1-CG 3.27Å; T142-D160 PolarHBondContact OG1-OD1 3.42Å; P143-D160 WeakPolarHBondContact O-CA 3.46Å; D160-S162 VanDerWaalsContact C-N 3.32Å; D160-S162 PolarHBondContact O-N 3.1Å; D160-S162 WeakPolarHBondContact OD1-CA 3.43Å; D160-S162 WeakPolarHBondContact OD1-CB 3.49Å; D160-S162 PolarHBondContact OD1-N 3.12Å; D160-S162 PolarHBondContact OD1-OG 2.75Å; D160-S162 PolarHBondContact OD2-OG 3.13Å; D160-G163 PolarHBondContact O-N 3.28Å; D160-G163 PolarHBondContact OD1-N 3.32Å; D160-T164 PolarHBondContact N-O 3.09Å; D160-T164 PolarHBondContact OD1-N 2.7Å; D160-H166 IonicContact OD2-CD2 3.75Å; D160-H166 IonicContact OD2-CE1 3.57Å; D160-H166 IonicContact OD2-NE2 3.15Å; D160-H166 PolarHBondContact OD2-NE2 2.81Å; D160-I186 PolarHBondContact O-N 2.97Å
161	Q	97.1	Very high	95.6	Very high	78 Å²	78	26 Å²	26	36%	0.364	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-19.2	-178.7	-72.1	-171.2	-3.1	0	0	114.7	T142 P143 T145 G163 M185	T142-Q161 PolarHBondContact OG1-N 3Å; P143-Q161 HydrophobicContact CB-CG 3.88Å; P143-Q161 HydrophobicContact CG-CG 4.38Å; P143-Q161 PolarHBondContact O-N 2.78Å; T145-Q161 HydrophobicContact CG2-CG 3.49Å; T145-Q161 VanDerWaalsContact CG2-CG 3.49Å; Q161-G163 PolarHBondContact O-N 3.29Å; Q161-M185 HydrophobicContact CB-CG 4.38Å; Q161-M185 HydrophobicContact CG-CE 3.88Å; Q161-M185 HydrophobicContact CG-CG 4.09Å; Q161-M185 HydrophobicContact CG-SD 3.82Å; Q161-M185 WeakPolarHBondContact O-CA 3.26Å; Q161-M185 WeakPolarHBondContact O-CB 3.49Å
162	S	95.8	Very high	95.5	Very high	33 Å²	33	28.5 Å²	28.5	23%	0.231	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.8	172	20.8	0	0	0	0	112.7	T142 D160	T142-S162 WeakPolarHBondContact CG2-OG 3.11Å; T142-S162 PolarHBondContact OG1-N 3.27Å; T142-S162 VanDerWaalsContact OG1-N 3.07Å; T142-S162 PolarHBondContact OG1-OG 2.94Å; D160-S162 VanDerWaalsContact C-N 3.32Å; D160-S162 PolarHBondContact O-N 3.1Å; D160-S162 WeakPolarHBondContact OD1-CA 3.43Å; D160-S162 WeakPolarHBondContact OD1-CB 3.49Å; D160-S162 PolarHBondContact OD1-N 3.12Å; D160-S162 PolarHBondContact OD1-OG 2.75Å; D160-S162 PolarHBondContact OD2-OG 3.13Å
163	G	95.6	Very high	95.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	97.9	9.9	-172.1	0	0	0	0	0	113.1	D160 Q161 P180 S184	D160-G163 PolarHBondContact O-N 3.28Å; D160-G163 PolarHBondContact OD1-N 3.32Å; Q161-G163 PolarHBondContact O-N 3.29Å; G163-P180 WeakPolarHBondContact O-CD 3.41Å; G163-S184 WeakPolarHBondContact CA-O 3.47Å
164	T	96.1	Very high	95.1	Very high	17 Å²	17	32.4 Å²	32.4	10%	0.104	16%	0.159	C	C	.	.			trans	-91	137.6	179	-50.7	0	0	0	0	110.1	G159 D160 Q177 F178	G159-T164 WeakPolarHBondContact CA-O 3.42Å; D160-T164 PolarHBondContact N-O 3.09Å; D160-T164 PolarHBondContact OD1-N 2.7Å; T164-Q177 HydrophobicContact CG2-CB 3.97Å; T164-Q177 HydrophobicContact CG2-CG 4.07Å; T164-F178 CarbonylContact C-O 3.51Å; T164-F178 WeakPolarHBondContact CA-O 3.48Å
165	I	96.8	Very high	95	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.5	166.4	-56.1	172.7	0	0	0	106.5	F157 V158 Q177 F178 P180 I186 I189 L198 A200 W210	F157-I165 HydrophobicContact CB-CG2 4.39Å; F157-I165 HydrophobicContact CD1-CG2 4.05Å; V158-I165 CarbonylContact O-C 3.45Å; V158-I165 WeakPolarHBondContact O-CA 3.27Å; I165-Q177 CarbonylContact O-C 3.5Å; I165-Q177 WeakPolarHBondContact O-CA 3.33Å; I165-F178 HydrophobicContact CB-CB 4.45Å; I165-F178 HydrophobicContact CB-CD2 4.22Å; I165-F178 HydrophobicContact CG2-CD2 4.25Å; I165-F178 PolarHBondContact N-O 2.97Å; I165-F178 WeakPolarHBondContact O-CD2 3.42Å; I165-F178 PolarHBondContact O-N 3.19Å; I165-P180 HydrophobicContact CD1-CG 4.4Å; I165-I186 HydrophobicContact CD1-CD1 4.31Å; I165-I186 HydrophobicContact CD1-CG1 4.49Å; I165-I186 HydrophobicContact CG1-CD1 4.13Å; I165-I186 HydrophobicContact CG1-CG1 3.84Å; I165-I186 HydrophobicContact CG1-CG2 4.4Å; I165-I189 HydrophobicContact CD1-CG2 4.02Å; I165-L198 HydrophobicContact CD1-CD2 4.45Å; I165-L198 HydrophobicContact CG2-CD2 4.42Å; I165-A200 HydrophobicContact CD1-CB 3.63Å; I165-W210 HydrophobicContact CD1-CH2 3.75Å; I165-W210 HydrophobicContact CD1-CZ2 4.43Å; I165-W210 HydrophobicContact CD1-CZ3 4Å
166	H	96.6	Very high	94.8	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.028	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.8	177.9	-54.2	-106.2	0	0	0	108.5	F138 F157 V158 D160 N175 E176 Q177	F138-H166 HydrophobicContact CE1-CB 3.74Å; F138-H166 AromaticContact CE1-CG 3.91Å; F138-H166 HydrophobicContact CZ-CB 3.92Å; F138-H166 AromaticContact CZ-ND1 3.89Å; F157-H166 CarbonylContact C-O 3.54Å; F157-H166 VanDerWaalsContact CA-O 3.28Å; F157-H166 WeakPolarHBondContact CA-O 3.44Å; V158-H166 HydrophobicContact CB-CB 4.22Å; V158-H166 PolarHBondContact N-O 3.45Å; V158-H166 PolarHBondContact O-CD2 3.38Å; V158-H166 PolarHBondContact O-N 3.23Å; D160-H166 IonicContact OD2-CD2 3.75Å; D160-H166 IonicContact OD2-CE1 3.57Å; D160-H166 IonicContact OD2-NE2 3.15Å; D160-H166 PolarHBondContact OD2-NE2 2.81Å; H166-N175 WeakPolarHBondContact CB-OD1 3.46Å; H166-N175 PolarHBondContact ND1-ND2 3.37Å; H166-E176 CarbonylContact C-O 3.58Å; H166-E176 WeakPolarHBondContact CA-O 3.41Å; H166-Q177 PolarHBondContact CE1-NE2 3.23Å; H166-Q177 PolarHBondContact ND1-NE2 2.92Å; H166-Q177 VanDerWaalsContact ND1-NE2 3.15Å
167	L	95	Very high	94.6	Very high	9 Å²	9	40.1 Å²	40.1	5%	0.047	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	101.4	169.8	170.6	61.9	0	0	0	108	E155 L156 F157 N175 E176 F178	E155-L167 HydrophobicContact CB-CD1 3.71Å; E155-L167 HydrophobicContact CG-CD1 4.02Å; L156-L167 WeakPolarHBondContact O-CA 3.31Å; F157-L167 HydrophobicContact CD1-CB 4.3Å; F157-L167 HydrophobicContact CD1-CD1 4.16Å; F157-L167 HydrophobicContact CE1-CB 4.15Å; F157-L167 HydrophobicContact CE1-CD1 3.77Å; F157-L167 HydrophobicContact CE1-CD2 4.42Å; F157-L167 HydrophobicContact CE1-CG 4.35Å; F157-L167 HydrophobicContact CE2-CD1 4.29Å; F157-L167 HydrophobicContact CZ-CD1 3.85Å; L167-N175 WeakPolarHBondContact O-CA 3.42Å; L167-E176 HydrophobicContact CB-CB 4.3Å; L167-E176 PolarHBondContact N-O 2.76Å; L167-E176 PolarHBondContact O-N 2.87Å; L167-E176 VanDerWaalsContact O-N 3.08Å; L167-F178 HydrophobicContact CB-CE2 3.67Å; L167-F178 HydrophobicContact CB-CZ 4.12Å; L167-F178 HydrophobicContact CD2-CZ 4.29Å
168	W	95.9	Very high	94.1	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	113.8	-178.3	177.8	31.3	0	0	0	110.6	A122 I124 R136 F138 E155 L156 L170 D173	A122-W168 HydrophobicContact CB-CZ3 4.44Å; I124-W168 HydrophobicContact CD1-CH2 4.3Å; I124-W168 HydrophobicContact CD1-CZ3 4.06Å; I124-W168 HydrophobicContact CG1-CH2 3.68Å; I124-W168 HydrophobicContact CG1-CZ3 3.96Å; R136-W168 HydrophobicContact CB-CH2 4.2Å; R136-W168 HydrophobicContact CB-CZ2 4.34Å; F138-W168 HydrophobicContact CB-CD2 3.69Å; F138-W168 HydrophobicContact CB-CE3 3.62Å; F138-W168 HydrophobicContact CB-CG 4.41Å; F138-W168 HydrophobicContact CB-CH2 3.75Å; F138-W168 HydrophobicContact CB-CZ2 3.84Å; F138-W168 HydrophobicContact CB-CZ3 3.65Å; F138-W168 HydrophobicContact CD2-CB 4.49Å; F138-W168 AromaticContact CD2-CD1 3.97Å; F138-W168 HydrophobicContact CD2-CD2 4.09Å; F138-W168 AromaticContact CD2-CG 3.95Å; F138-W168 HydrophobicContact CD2-CG 3.95Å; F138-W168 HydrophobicContact CE2-CG 4.4Å; F138-W168 AromaticContact CG-CD2 3.87Å; F138-W168 HydrophobicContact CG-CD2 3.87Å; F138-W168 HydrophobicContact CG-CE3 4.09Å; F138-W168 HydrophobicContact CG-CG 4.08Å; E155-W168 WeakPolarHBondContact CA-O 3.08Å; L156-W168 HydrophobicContact CB-CE3 4.35Å; L156-W168 HydrophobicContact CD1-CE3 3.73Å; L156-W168 HydrophobicContact CD1-CZ3 3.88Å; L156-W168 PolarHBondContact N-O 2.83Å; L156-W168 PolarHBondContact O-N 2.81Å; W168-L170 HydrophobicContact CD2-CD2 3.8Å; W168-L170 HydrophobicContact CE3-CD2 3.86Å; W168-L170 HydrophobicContact CH2-CD2 3.78Å; W168-L170 HydrophobicContact CZ2-CD2 3.67Å; W168-L170 HydrophobicContact CZ3-CD2 3.86Å; W168-D173 PolarHBondContact NE1-OD1 2.79Å
169	D	93.5	Very high	93.7	Very high	9 Å²	9	45.7 Å²	45.7	5%	0.048	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	114	174.5	-174.6	-18.9	0	0	0	110.4	E155 R171 N172 D173 H174	E155-D169 HydrophobicContact CG-CB 4.44Å; D169-R171 PolarHBondContact O-N 2.88Å; D169-R171 VanDerWaalsContact OD1-CB 3.28Å; D169-R171 WeakPolarHBondContact OD1-CB 3.47Å; D169-R171 WeakPolarHBondContact OD1-CG 3.49Å; D169-R171 IonicContact OD1-CZ 3.88Å; D169-R171 PolarHBondContact OD1-N 3.25Å; D169-R171 IonicContact OD1-NE 3.31Å; D169-R171 PolarHBondContact OD1-NE 3.42Å; D169-R171 IonicContact OD1-NH2 2.7Å; D169-R171 IonicContact OD2-CZ 3.78Å; D169-R171 IonicContact OD2-NE 2.62Å; D169-R171 PolarHBondContact OD2-NE 3.33Å; D169-R171 IonicContact OD2-NH2 3.82Å; D169-R171 PolarHBondContact OD2-NH2 2.9Å; D169-N172 WeakPolarHBondContact CB-OD1 3.4Å; D169-D173 VanDerWaalsContact O-CA 3.26Å; D169-D173 WeakPolarHBondContact O-CA 3.31Å; D169-D173 PolarHBondContact O-N 3.36Å; D169-H174 HydrophobicContact CB-CB 4.29Å; D169-H174 PolarHBondContact N-O 3.4Å
170	L	93.9	Very high	93.1	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.099	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-12	-177.7	-63.8	177.2	0	0	0	113.1	W112 I124 R136 V154 L156 W168	W112-L170 HydrophobicContact CH2-CD1 3.57Å; W112-L170 HydrophobicContact CZ2-CD1 3.87Å; W112-L170 HydrophobicContact CZ3-CD1 4.16Å; I124-L170 HydrophobicContact CD1-CD1 4.27Å; I124-L170 HydrophobicContact CD1-CD2 4.05Å; I124-L170 HydrophobicContact CG1-CD2 4.04Å; R136-L170 VanDerWaalsContact CZ-O 3.25Å; R136-L170 PolarHBondContact NH1-O 3.01Å; R136-L170 PolarHBondContact NH2-O 3.4Å; V154-L170 WeakPolarHBondContact O-CB 3.27Å; V154-L170 PolarHBondContact O-N 3.31Å; L156-L170 HydrophobicContact CD1-CD1 4.17Å; L156-L170 HydrophobicContact CD1-CD2 4.16Å; L156-L170 HydrophobicContact CD1-CG 4.46Å; L156-L170 HydrophobicContact CG-CD1 4.45Å; W168-L170 HydrophobicContact CD2-CD2 3.8Å; W168-L170 HydrophobicContact CE3-CD2 3.86Å; W168-L170 HydrophobicContact CH2-CD2 3.78Å; W168-L170 HydrophobicContact CZ2-CD2 3.67Å; W168-L170 HydrophobicContact CZ3-CD2 3.86Å
171	R	92.9	Very high	92.7	Very high	151 Å²	151	49.7 Å²	49.7	57%	0.57	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-33.5	-178.4	-60.9	168.2	-66.2	-176.9	0.9	112.4	V154 D169	V154-R171 HydrophobicContact CB-CG 4.13Å; V154-R171 HydrophobicContact CG1-CG 4.19Å; D169-R171 PolarHBondContact O-N 2.88Å; D169-R171 VanDerWaalsContact OD1-CB 3.28Å; D169-R171 WeakPolarHBondContact OD1-CB 3.47Å; D169-R171 WeakPolarHBondContact OD1-CG 3.49Å; D169-R171 IonicContact OD1-CZ 3.88Å; D169-R171 PolarHBondContact OD1-N 3.25Å; D169-R171 IonicContact OD1-NE 3.31Å; D169-R171 PolarHBondContact OD1-NE 3.42Å; D169-R171 IonicContact OD1-NH2 2.7Å; D169-R171 IonicContact OD2-CZ 3.78Å; D169-R171 IonicContact OD2-NE 2.62Å; D169-R171 PolarHBondContact OD2-NE 3.33Å; D169-R171 IonicContact OD2-NH2 3.82Å; D169-R171 PolarHBondContact OD2-NH2 2.9Å
172	N	91.3	Very high	92.1	Very high	102 Å²	102	52.8 Å²	52.8	55%	0.545	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	4.2	-170.5	60.3	15.1	0	0	0	113.7	D169 H174	D169-N172 WeakPolarHBondContact CB-OD1 3.4Å; N172-H174 PolarHBondContact O-N 2.85Å; N172-H174 VanDerWaalsContact O-N 3.16Å; N172-H174 WeakPolarHBondContact OD1-CB 3.24Å; N172-H174 PolarHBondContact OD1-N 3.44Å
173	D	90	Very high	91.6	Very high	93 Å²	93	57.5 Å²	57.5	50%	0.497	28%	0.282	S	S	.	.			trans	58.5	20.6	-176.1	-71.1	-57.6	0	0	0	114.2	R136 W168 D169	R136-D173 IonicContact CZ-OD1 2.69Å; R136-D173 IonicContact CZ-OD2 3.09Å; R136-D173 IonicContact NE-OD1 3.68Å; R136-D173 IonicContact NH2-OD1 3.85Å; R136-D173 PolarHBondContact NH2-OD1 2.88Å; R136-D173 IonicContact NH2-OD2 3.71Å; R136-D173 PolarHBondContact NH2-OD2 2.93Å; W168-D173 PolarHBondContact NE1-OD1 2.79Å; D169-D173 VanDerWaalsContact O-CA 3.26Å; D169-D173 WeakPolarHBondContact O-CA 3.31Å; D169-D173 PolarHBondContact O-N 3.36Å
174	H	90.6	Very high	91.5	Very high	110 Å²	110	57.6 Å²	57.6	51%	0.509	28%	0.282	S	S	.	.			trans	-65.1	144.4	171.2	-176.6	67.9	0	0	0	110.5	D169 N172	D169-H174 HydrophobicContact CB-CB 4.29Å; D169-H174 PolarHBondContact N-O 3.4Å; N172-H174 PolarHBondContact O-N 2.85Å; N172-H174 VanDerWaalsContact O-N 3.16Å; N172-H174 WeakPolarHBondContact OD1-CB 3.24Å; N172-H174 PolarHBondContact OD1-N 3.44Å
175	N	90.9	Very high	91.5	Very high	49 Å²	49	58.2 Å²	58.2	26%	0.262	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122	178.6	178.2	35	0	0	0	110.5	F138 H166 L167 Q177	F138-N175 HydrophobicContact CE2-CB 3.98Å; F138-N175 HydrophobicContact CZ-CB 4.2Å; H166-N175 WeakPolarHBondContact CB-OD1 3.46Å; H166-N175 PolarHBondContact ND1-ND2 3.37Å; L167-N175 WeakPolarHBondContact O-CA 3.42Å; N175-Q177 PolarHBondContact ND2-NE2 2.84Å
176	E	91.1	Very high	91.6	Very high	41 Å²	41	58.2 Å²	58.2	19%	0.192	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	138.8	168.3	-169.9	-177.4	178.1	0	0	109.3	H166 L167 F178 S222	H166-E176 CarbonylContact C-O 3.58Å; H166-E176 WeakPolarHBondContact CA-O 3.41Å; L167-E176 HydrophobicContact CB-CB 4.3Å; L167-E176 PolarHBondContact N-O 2.76Å; L167-E176 PolarHBondContact O-N 2.87Å; L167-E176 VanDerWaalsContact O-N 3.08Å; E176-F178 HydrophobicContact CB-CZ 3.92Å; E176-F178 HydrophobicContact CG-CE1 3.65Å; E176-F178 HydrophobicContact CG-CE2 4.4Å; E176-F178 HydrophobicContact CG-CZ 3.5Å; E176-F178 VanDerWaalsContact CG-CZ 3.5Å; E176-F178 VanDerWaalsContact OE1-CE1 3.24Å; E176-F178 WeakPolarHBondContact OE1-CE1 3.33Å; E176-S222 VanDerWaalsContact OE1-CA 3.3Å; E176-S222 WeakPolarHBondContact OE1-CA 3.27Å; E176-S222 WeakPolarHBondContact OE1-CB 3.33Å; E176-S222 PolarHBondContact OE1-OG 2.69Å
177	Q	91.9	Very high	91.7	Very high	120 Å²	120	59.7 Å²	59.7	56%	0.561	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.7	-176.4	-70	-179	-7	0	0	112.2	T164 I165 H166 N175	T164-Q177 HydrophobicContact CG2-CB 3.97Å; T164-Q177 HydrophobicContact CG2-CG 4.07Å; I165-Q177 CarbonylContact O-C 3.5Å; I165-Q177 WeakPolarHBondContact O-CA 3.33Å; H166-Q177 PolarHBondContact CE1-NE2 3.23Å; H166-Q177 PolarHBondContact ND1-NE2 2.92Å; H166-Q177 VanDerWaalsContact ND1-NE2 3.15Å; N175-Q177 PolarHBondContact ND2-NE2 2.84Å
178	F	87.6	Confident	91.8	Very high	20 Å²	20	59.2 Å²	59.2	9%	0.088	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.9	176.7	-37.5	-80.1	0	0	0	109	T164 I165 L167 E176 T224	T164-F178 CarbonylContact C-O 3.51Å; T164-F178 WeakPolarHBondContact CA-O 3.48Å; I165-F178 HydrophobicContact CB-CB 4.45Å; I165-F178 HydrophobicContact CB-CD2 4.22Å; I165-F178 HydrophobicContact CG2-CD2 4.25Å; I165-F178 PolarHBondContact N-O 2.97Å; I165-F178 WeakPolarHBondContact O-CD2 3.42Å; I165-F178 PolarHBondContact O-N 3.19Å; L167-F178 HydrophobicContact CB-CE2 3.67Å; L167-F178 HydrophobicContact CB-CZ 4.12Å; L167-F178 HydrophobicContact CD2-CZ 4.29Å; E176-F178 HydrophobicContact CB-CZ 3.92Å; E176-F178 HydrophobicContact CG-CE1 3.65Å; E176-F178 HydrophobicContact CG-CE2 4.4Å; E176-F178 HydrophobicContact CG-CZ 3.5Å; E176-F178 VanDerWaalsContact CG-CZ 3.5Å; E176-F178 VanDerWaalsContact OE1-CE1 3.24Å; E176-F178 WeakPolarHBondContact OE1-CE1 3.33Å; F178-T224 HydrophobicContact CD1-CG2 4.29Å; F178-T224 WeakPolarHBondContact CD1-OG1 3.45Å; F178-T224 HydrophobicContact CE1-CG2 3.57Å; F178-T224 WeakPolarHBondContact CE1-OG1 3.34Å; F178-T224 HydrophobicContact CE2-CG2 3.96Å; F178-T224 HydrophobicContact CZ-CG2 3.36Å
179	M	89.9	Confident	91.9	Very high	100 Å²	100	59.1 Å²	59.1	49%	0.493	29%	0.289	S	S	.	.			trans	-127.5	102.1	174.8	-175.2	171.1	58.9	0	0	108.4	E181 M182	M179-E181 VanDerWaalsContact C-N 3.29Å; M179-E181 PolarHBondContact O-N 3.25Å; M179-M182 HydrophobicContact CE-CG 3.54Å; M179-M182 HydrophobicContact CE-SD 4.5Å; M179-M182 HydrophobicContact SD-CG 4.14Å
180	P	85.7	Confident	92.2	Very high	34 Å²	34	59.6 Å²	59.6	22%	0.221	29%	0.291	C	S	.	.	S	Bend	trans	-66.9	-35.1	-174.5	-8.6	21	0	0	0	111.8	G163 I165 I186 Y208 W210	G163-P180 WeakPolarHBondContact O-CD 3.41Å; I165-P180 HydrophobicContact CD1-CG 4.4Å; P180-I186 HydrophobicContact CG-CD1 4.07Å; P180-Y208 HydrophobicContact CB-CD1 3.44Å; P180-Y208 VanDerWaalsContact CB-CD1 3.44Å; P180-Y208 HydrophobicContact CB-CD2 3.93Å; P180-Y208 HydrophobicContact CB-CE1 3.61Å; P180-Y208 HydrophobicContact CB-CE2 4.11Å; P180-Y208 HydrophobicContact CB-CG 3.61Å; P180-Y208 HydrophobicContact CG-CD2 4.38Å; P180-Y208 HydrophobicContact CG-CG 4.26Å; P180-W210 HydrophobicContact CB-CH2 4.02Å; P180-W210 HydrophobicContact CB-CZ2 3.83Å; P180-W210 HydrophobicContact CG-CH2 3.51Å; P180-W210 HydrophobicContact CG-CZ2 3.56Å
181	E	87.7	Confident	92.3	Very high	51 Å²	51	59.3 Å²	59.3	24%	0.238	29%	0.29	C	S	.	.	S	Bend	trans	-155.8	134	-178.6	-178.5	169.9	-112.4	0	0	110.2	M179 S184 Y208 K229	M179-E181 VanDerWaalsContact C-N 3.29Å; M179-E181 PolarHBondContact O-N 3.25Å; E181-S184 PolarHBondContact OE2-OG 3.23Å; E181-Y208 VanDerWaalsContact CB-OH 3.29Å; E181-Y208 WeakPolarHBondContact CB-OH 3.48Å; E181-Y208 PolarHBondContact OE1-OH 2.84Å; E181-Y208 PolarHBondContact OE2-OH 3.05Å; E181-K229 IonicContact OE1-NZ 3.83Å; E181-K229 PolarHBondContact OE1-NZ 3.29Å
182	M	85.4	Confident	92.5	Very high	142 Å²	142	52.3 Å²	52.3	70%	0.7	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	140.4	178.5	-76.5	-172.8	-85.8	0	0	111.5	M179 S184	M179-M182 HydrophobicContact CE-CG 3.54Å; M179-M182 HydrophobicContact CE-SD 4.5Å; M179-M182 HydrophobicContact SD-CG 4.14Å; M182-S184 PolarHBondContact O-N 3.05Å
183	N	84.4	Confident	92.7	Very high	133 Å²	133	52.1 Å²	52.1	71%	0.711	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	32.1	176.4	-60	-19.6	0	0	0	114	R204	N183-R204 PolarHBondContact O-NH2 3.03Å
184	S	94.4	Very high	92.8	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.007	27%	0.268	C	S	.	.			trans	-123.3	93.4	178.4	-158.6	0	0	0	0	110.3	G163 E181 M182 I186 T202	G163-S184 WeakPolarHBondContact CA-O 3.47Å; E181-S184 PolarHBondContact OE2-OG 3.23Å; M182-S184 PolarHBondContact O-N 3.05Å; S184-I186 PolarHBondContact O-N 2.8Å; S184-T202 WeakPolarHBondContact OG-CB 3.2Å; S184-T202 WeakPolarHBondContact OG-CG2 3.24Å
185	M	96.8	Very high	93	Very high	31 Å²	31	48.1 Å²	48.1	15%	0.153	25%	0.247	C	C	.	.			trans	-49.2	125.2	179.6	161.1	-178.8	-176.6	0	0	111.4	T145 Q161 Q187 T202 H203	T145-M185 HydrophobicContact CG2-CE 3.26Å; T145-M185 HydrophobicContact CG2-CG 4.24Å; T145-M185 HydrophobicContact CG2-SD 4.42Å; Q161-M185 HydrophobicContact CB-CG 4.38Å; Q161-M185 HydrophobicContact CG-CE 3.88Å; Q161-M185 HydrophobicContact CG-CG 4.09Å; Q161-M185 HydrophobicContact CG-SD 3.82Å; Q161-M185 WeakPolarHBondContact O-CA 3.26Å; Q161-M185 WeakPolarHBondContact O-CB 3.49Å; M185-Q187 PolarHBondContact O-N 2.76Å; M185-T202 CarbonylContact O-C 3.56Å; M185-T202 WeakPolarHBondContact O-CA 3.38Å; M185-T202 WeakPolarHBondContact O-CB 3.25Å; M185-H203 HydrophobicContact CB-CB 4.41Å; M185-H203 WeakPolarHBondContact CB-ND1 3.43Å; M185-H203 PolarHBondContact N-ND1 3.25Å; M185-H203 PolarHBondContact O-N 2.94Å
186	I	97.9	Very high	93.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125.7	168.3	-53.5	-53.2	0	0	0	106.7	T145 D160 I165 P180 S184 I189 A200 T202	T145-I186 VanDerWaalsContact CB-O 3.29Å; T145-I186 WeakPolarHBondContact CB-O 3.29Å; T145-I186 PolarHBondContact OG1-O 3.45Å; D160-I186 PolarHBondContact O-N 2.97Å; I165-I186 HydrophobicContact CD1-CD1 4.31Å; I165-I186 HydrophobicContact CD1-CG1 4.49Å; I165-I186 HydrophobicContact CG1-CD1 4.13Å; I165-I186 HydrophobicContact CG1-CG1 3.84Å; I165-I186 HydrophobicContact CG1-CG2 4.4Å; P180-I186 HydrophobicContact CG-CD1 4.07Å; S184-I186 PolarHBondContact O-N 2.8Å; I186-I189 HydrophobicContact CG2-CG2 4.22Å; I186-A200 HydrophobicContact CG2-CB 4.42Å; I186-T202 HydrophobicContact CD1-CG2 4.17Å
187	Q	97.9	Very high	93.4	Very high	36 Å²	36	47.6 Å²	47.6	17%	0.168	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-39.3	-179.9	-175.3	68	21.8	0	0	111.9	M185 V201 Y236 T237 L238	M185-Q187 PolarHBondContact O-N 2.76Å; Q187-V201 PolarHBondContact N-O 3.24Å; Q187-Y236 HydrophobicContact CG-CE1 4.13Å; Q187-Y236 PolarHBondContact OE1-OH 2.9Å; Q187-T237 WeakPolarHBondContact CG-O 3.44Å; Q187-L238 VanDerWaalsContact CG-O 3.31Å; Q187-L238 WeakPolarHBondContact CG-O 3.09Å
188	S	98.4	Very high	93.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	145.2	-179.9	-178.7	0	0	0	0	109.7	A200 V201 R239 C240	S188-A200 CarbonylContact O-C 3.24Å; S188-A200 WeakPolarHBondContact O-CA 3.19Å; S188-V201 PolarHBondContact N-O 2.91Å; S188-V201 PolarHBondContact O-N 3.01Å; S188-R239 WeakPolarHBondContact OG-CD 3.43Å; S188-R239 PolarHBondContact OG-NE 2.89Å; S188-C240 PolarHBondContact O-SG 2.79Å; S188-C240 PolarHBondContact OG-N 3.48Å; S188-C240 PolarHBondContact OG-O 2.83Å
189	I	98.2	Very high	94.1	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.9	171.1	26.5	165.8	0	0	0	108.7	C146 C148 F157 I165 I186 L198 A199 A200	C146-I189 HydrophobicContact CB-CG1 3.86Å; C146-I189 WeakPolarHBondContact SG-CG1 3.33Å; C148-I189 HydrophobicContact CB-CD1 4.47Å; F157-I189 HydrophobicContact CB-CD1 3.66Å; F157-I189 WeakPolarHBondContact O-CD1 3.23Å; I165-I189 HydrophobicContact CD1-CG2 4.02Å; I186-I189 HydrophobicContact CG2-CG2 4.22Å; I189-L198 HydrophobicContact CB-CD1 4.25Å; I189-L198 HydrophobicContact CG2-CD1 4.01Å; I189-A199 CarbonylContact C-O 3.59Å; I189-A199 VanDerWaalsContact CA-O 3.24Å; I189-A199 WeakPolarHBondContact CA-O 3.49Å; I189-A200 HydrophobicContact CG2-CB 3.47Å; I189-A200 VanDerWaalsContact CG2-CB 3.47Å
190	D	98.5	Very high	94.5	Very high	19 Å²	19	36.2 Å²	36.2	10%	0.102	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	143.6	172.6	-146.2	48.9	0	0	0	109.9	A199 R241 I242	D190-A199 PolarHBondContact N-O 3.18Å; D190-A199 PolarHBondContact O-N 3.07Å; D190-R241 IonicContact OD1-CZ 2.67Å; D190-R241 IonicContact OD1-NE 2.75Å; D190-R241 IonicContact OD1-NH1 3.12Å; D190-R241 PolarHBondContact OD1-NH1 3.4Å; D190-R241 VanDerWaalsContact OD2-CA 3.24Å; D190-R241 WeakPolarHBondContact OD2-CA 3.21Å; D190-R241 WeakPolarHBondContact OD2-CD 3.39Å; D190-I242 HydrophobicContact CB-CG1 4.5Å; D190-I242 PolarHBondContact OD2-N 2.74Å
191	V	97.8	Very high	95.1	Very high	12 Å²	12	34.6 Å²	34.6	7%	0.073	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.9	173.8	-177.9	0	0	0	0	107.4	P151 F157 M197 L198 L212	P151-V191 HydrophobicContact CG-CG1 4.49Å; F157-V191 HydrophobicContact CD2-CG2 3.45Å; F157-V191 VanDerWaalsContact CD2-CG2 3.45Å; F157-V191 HydrophobicContact CE2-CG2 3.48Å; F157-V191 VanDerWaalsContact CE2-CG2 3.48Å; F157-V191 HydrophobicContact CG-CG2 4.44Å; F157-V191 HydrophobicContact CZ-CG2 4.49Å; V191-M197 WeakPolarHBondContact CA-O 3.33Å; V191-L198 HydrophobicContact CG2-CD1 3.62Å; V191-L212 HydrophobicContact CG1-CD1 3.86Å
192	D	97.1	Very high	95.6	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	17%	0.172	C	C	.	.			trans	-65.6	161.7	175	69.1	-31.1	0	0	0	112.1	P151 D194 G195 T196 M197 I242	P151-D192 VanDerWaalsContact CG-O 3.27Å; P151-D192 WeakPolarHBondContact CG-O 3.37Å; D192-D194 PolarHBondContact O-N 2.71Å; D192-G195 PolarHBondContact O-N 3.13Å; D192-G195 WeakPolarHBondContact OD1-CA 3.34Å; D192-G195 PolarHBondContact OD1-N 3.08Å; D192-G195 VanDerWaalsContact OD1-N 3.09Å; D192-T196 PolarHBondContact OD1-N 2.91Å; D192-T196 PolarHBondContact OD2-N 2.95Å; D192-T196 PolarHBondContact OD2-OG1 2.75Å; D192-M197 HydrophobicContact CB-CB 4.36Å; D192-M197 PolarHBondContact N-O 3.36Å; D192-M197 PolarHBondContact OD1-N 3.47Å; D192-M197 PolarHBondContact OD2-N 2.96Å; D192-I242 HydrophobicContact CB-CD1 4.12Å; D192-I242 HydrophobicContact CB-CG2 3.95Å
193	N	94.8	Very high	96.2	Very high	99 Å²	99	27.8 Å²	27.8	53%	0.529	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-28.2	-178.7	-79.2	-13.3	0	0	0	113	P151 G195 P244	P151-N193 WeakPolarHBondContact CG-O 3.2Å; N193-G195 VanDerWaalsContact C-N 3.28Å; N193-P244 WeakPolarHBondContact ND2-CA 3.44Å; N193-P244 PolarHBondContact ND2-O 2.97Å
194	D	92.6	Very high	96.8	Very high	114 Å²	114	28 Å²	28	61%	0.61	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-13.5	178.1	-57.5	-50	0	0	0	112.6	D192 T196 S246	D192-D194 PolarHBondContact O-N 2.71Å; D194-T196 VanDerWaalsContact C-N 3.28Å; D194-T196 HydrophobicContact CB-CG2 3.81Å; D194-T196 PolarHBondContact O-N 3.17Å; D194-S246 PolarHBondContact OD2-OG 3.33Å
195	G	93.8	Very high	96.9	Very high	5 Å²	5	27.9 Å²	27.9	5%	0.052	14%	0.139	C	C	.	.	S	Bend	trans	68.1	28.5	-177.3	0	0	0	0	0	113	H150 D192 N193 L212	H150-G195 WeakPolarHBondContact NE2-CA 3.36Å; H150-G195 PolarHBondContact NE2-O 2.86Å; D192-G195 PolarHBondContact O-N 3.13Å; D192-G195 WeakPolarHBondContact OD1-CA 3.34Å; D192-G195 PolarHBondContact OD1-N 3.08Å; D192-G195 VanDerWaalsContact OD1-N 3.09Å; N193-G195 VanDerWaalsContact C-N 3.28Å; G195-L212 WeakPolarHBondContact O-CB 3.5Å
196	T	94	Very high	96.9	Very high	63 Å²	63	27.9 Å²	27.9	39%	0.387	14%	0.139	S	C	.	.			trans	-107.8	-14.6	-176.8	72.7	0	0	0	0	113.1	D192 D194 S211 L212	D192-T196 PolarHBondContact OD1-N 2.91Å; D192-T196 PolarHBondContact OD2-N 2.95Å; D192-T196 PolarHBondContact OD2-OG1 2.75Å; D194-T196 VanDerWaalsContact C-N 3.28Å; D194-T196 HydrophobicContact CB-CG2 3.81Å; D194-T196 PolarHBondContact O-N 3.17Å; T196-S211 CarbonylContact O-C 3.59Å; T196-S211 WeakPolarHBondContact O-CA 3.16Å; T196-L212 PolarHBondContact O-N 3.49Å
197	M	95.9	Very high	96.9	Very high	15 Å²	15	27.9 Å²	27.9	7%	0.074	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	126.2	-176.1	-178.9	171.7	66.6	0	0	111.3	V191 D192 W210 I242 T263	V191-M197 WeakPolarHBondContact CA-O 3.33Å; D192-M197 HydrophobicContact CB-CB 4.36Å; D192-M197 PolarHBondContact N-O 3.36Å; D192-M197 PolarHBondContact OD1-N 3.47Å; D192-M197 PolarHBondContact OD2-N 2.96Å; M197-W210 WeakPolarHBondContact CA-O 3.24Å; M197-I242 HydrophobicContact CE-CD1 3.64Å; M197-I242 HydrophobicContact CE-CG1 4.03Å; M197-I242 HydrophobicContact CE-CG2 3.81Å; M197-I242 HydrophobicContact CG-CD1 4.38Å; M197-T263 HydrophobicContact CE-CG2 3.53Å
198	L	97.4	Very high	96.9	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.6	166.3	175.7	70.8	0	0	0	108.8	F157 I165 I189 V191 T209 W210 L212	F157-L198 HydrophobicContact CD1-CD1 4.24Å; F157-L198 HydrophobicContact CD1-CD2 3.88Å; F157-L198 HydrophobicContact CD2-CD1 4.22Å; F157-L198 HydrophobicContact CE1-CD2 3.85Å; F157-L198 HydrophobicContact CG-CD1 4.06Å; F157-L198 HydrophobicContact CZ-CD2 4.46Å; I165-L198 HydrophobicContact CD1-CD2 4.45Å; I165-L198 HydrophobicContact CG2-CD2 4.42Å; I189-L198 HydrophobicContact CB-CD1 4.25Å; I189-L198 HydrophobicContact CG2-CD1 4.01Å; V191-L198 HydrophobicContact CG2-CD1 3.62Å; L198-T209 CarbonylContact O-C 3.59Å; L198-T209 WeakPolarHBondContact O-CA 3.36Å; L198-W210 HydrophobicContact CB-CB 4.38Å; L198-W210 HydrophobicContact CB-CE3 4.25Å; L198-W210 HydrophobicContact CD2-CD2 4.31Å; L198-W210 HydrophobicContact CD2-CE3 3.79Å; L198-W210 HydrophobicContact CD2-CZ3 4.29Å; L198-W210 HydrophobicContact CG-CE3 3.95Å; L198-W210 HydrophobicContact CG-CZ3 4.45Å; L198-W210 PolarHBondContact N-O 3.08Å; L198-W210 PolarHBondContact O-N 3.1Å; L198-L212 HydrophobicContact CB-CD1 4.15Å; L198-L212 HydrophobicContact CB-CD2 4.01Å; L198-L212 HydrophobicContact CB-CG 4.21Å
199	A	98.2	Very high	96.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.7	168.2	0	0	0	0	0	109.9	I189 D190 L207 Y208 T209 I242 M249	I189-A199 CarbonylContact C-O 3.59Å; I189-A199 VanDerWaalsContact CA-O 3.24Å; I189-A199 WeakPolarHBondContact CA-O 3.49Å; D190-A199 PolarHBondContact N-O 3.18Å; D190-A199 PolarHBondContact O-N 3.07Å; A199-L207 HydrophobicContact CB-CD1 4.26Å; A199-Y208 CarbonylContact C-O 3.52Å; A199-Y208 WeakPolarHBondContact CA-O 3.45Å; A199-T209 HydrophobicContact CB-CG2 4.19Å; A199-I242 HydrophobicContact CB-CD1 3.96Å; A199-I242 HydrophobicContact CB-CG1 4.23Å; A199-M249 HydrophobicContact CB-CE 3.79Å
200	A	98.3	Very high	96.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.6	174.7	0	0	0	0	0	110.6	I165 I186 S188 I189 L207 Y208 W210	I165-A200 HydrophobicContact CD1-CB 3.63Å; I186-A200 HydrophobicContact CG2-CB 4.42Å; S188-A200 CarbonylContact O-C 3.24Å; S188-A200 WeakPolarHBondContact O-CA 3.19Å; I189-A200 HydrophobicContact CG2-CB 3.47Å; I189-A200 VanDerWaalsContact CG2-CB 3.47Å; A200-L207 WeakPolarHBondContact O-CA 3.37Å; A200-Y208 PolarHBondContact N-O 3.11Å; A200-Y208 PolarHBondContact O-N 2.99Å; A200-W210 HydrophobicContact CB-CH2 3.98Å; A200-W210 HydrophobicContact CB-CZ3 3.6Å
201	V	98.3	Very high	96.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	146.4	171.9	-67.6	0	0	0	0	111.1	Q187 S188 M206 L207 T237 C240 T251	Q187-V201 PolarHBondContact N-O 3.24Å; S188-V201 PolarHBondContact N-O 2.91Å; S188-V201 PolarHBondContact O-N 3.01Å; V201-M206 CarbonylContact C-O 3.57Å; V201-M206 VanDerWaalsContact CA-O 3.27Å; V201-M206 WeakPolarHBondContact CA-O 3.38Å; V201-L207 HydrophobicContact CG1-CB 4.24Å; V201-L207 HydrophobicContact CG1-CD1 3.72Å; V201-T237 HydrophobicContact CB-CG2 3.67Å; V201-T237 HydrophobicContact CG1-CG2 3.99Å; V201-T237 HydrophobicContact CG2-CG2 3.69Å; V201-C240 HydrophobicContact CB-CB 4.44Å; V201-C240 HydrophobicContact CG1-CB 3.72Å; V201-C240 HydrophobicContact CG2-CB 3.88Å; V201-T251 HydrophobicContact CG1-CG2 3.98Å
202	T	98.2	Very high	96.2	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	161.3	179.4	66	0	0	0	0	111.6	S184 M185 I186 R204 G205 M206 Y208 T237	S184-T202 WeakPolarHBondContact OG-CB 3.2Å; S184-T202 WeakPolarHBondContact OG-CG2 3.24Å; M185-T202 CarbonylContact O-C 3.56Å; M185-T202 WeakPolarHBondContact O-CA 3.38Å; M185-T202 WeakPolarHBondContact O-CB 3.25Å; I186-T202 HydrophobicContact CD1-CG2 4.17Å; T202-R204 PolarHBondContact O-N 3.05Å; T202-R204 PolarHBondContact OG1-N 3.41Å; T202-G205 PolarHBondContact O-N 2.86Å; T202-M206 PolarHBondContact N-O 2.77Å; T202-M206 WeakPolarHBondContact OG1-CB 3.14Å; T202-M206 PolarHBondContact OG1-N 3.26Å; T202-M206 PolarHBondContact OG1-O 2.74Å; T202-Y208 HydrophobicContact CG2-CD2 4.05Å; T202-Y208 HydrophobicContact CG2-CE2 3.66Å; T202-T237 WeakPolarHBondContact O-CB 3.35Å
203	H	96.8	Very high	95.5	Very high	49 Å²	49	30.8 Å²	30.8	23%	0.227	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-14.1	172.3	80.8	-80.2	0	0	0	114.3	M185 Y236	M185-H203 HydrophobicContact CB-CB 4.41Å; M185-H203 WeakPolarHBondContact CB-ND1 3.43Å; M185-H203 PolarHBondContact N-ND1 3.25Å; M185-H203 PolarHBondContact O-N 2.94Å; H203-Y236 HydrophobicContact CB-CD2 4Å; H203-Y236 HydrophobicContact CB-CE1 3.99Å; H203-Y236 HydrophobicContact CB-CE2 3.48Å; H203-Y236 VanDerWaalsContact CB-CE2 3.48Å; H203-Y236 HydrophobicContact CB-CG 4.48Å; H203-Y236 VanDerWaalsContact CB-CZ 3.43Å; H203-Y236 VanDerWaalsContact O-CA 3.31Å; H203-Y236 WeakPolarHBondContact O-CA 3.18Å
204	R	96.5	Very high	94.2	Very high	136 Å²	136	31.3 Å²	31.3	51%	0.513	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	3.4	-177.5	-64.4	-167.6	175.4	-178.1	2	114.5	N183 T202	N183-R204 PolarHBondContact O-NH2 3.03Å; T202-R204 PolarHBondContact O-N 3.05Å; T202-R204 PolarHBondContact OG1-N 3.41Å
205	G	97	Very high	92.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	94.3	0.9	-177.1	0	0	0	0	0	115	T202 V232 H233 T237	T202-G205 PolarHBondContact O-N 2.86Å; G205-V232 WeakPolarHBondContact O-CG2 3.27Å; G205-V232 PolarHBondContact O-N 3.1Å; G205-H233 WeakPolarHBondContact CA-O 3.47Å; G205-H233 PolarHBondContact O-N 2.92Å; G205-T237 VanDerWaalsContact CA-OG1 3.25Å; G205-T237 WeakPolarHBondContact CA-OG1 3.13Å
206	M	97.8	Very high	91.2	Very high	30 Å²	30	36.4 Å²	36.4	15%	0.148	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	138.5	-176.6	-54.7	-56.9	-66	0	0	111.6	V201 T202 Y208 K229 M230 E231	V201-M206 CarbonylContact C-O 3.57Å; V201-M206 VanDerWaalsContact CA-O 3.27Å; V201-M206 WeakPolarHBondContact CA-O 3.38Å; T202-M206 PolarHBondContact N-O 2.77Å; T202-M206 WeakPolarHBondContact OG1-CB 3.14Å; T202-M206 PolarHBondContact OG1-N 3.26Å; T202-M206 PolarHBondContact OG1-O 2.74Å; M206-Y208 HydrophobicContact CB-CD2 4.35Å; M206-Y208 HydrophobicContact CB-CE2 3.58Å; M206-K229 HydrophobicContact CE-CG 4Å; M206-M230 CarbonylContact C-O 3.57Å; M206-M230 WeakPolarHBondContact CA-O 3.23Å; M206-E231 HydrophobicContact CE-CB 4.23Å; M206-E231 HydrophobicContact SD-CB 3.76Å; M206-E231 HydrophobicContact SD-CG 4.04Å
207	L	98	Very high	89.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.7	166.8	172.1	66.6	0	0	0	109.8	A199 A200 V201 T209 K229 M230 V232 M249 Y266	A199-L207 HydrophobicContact CB-CD1 4.26Å; A200-L207 WeakPolarHBondContact O-CA 3.37Å; V201-L207 HydrophobicContact CG1-CB 4.24Å; V201-L207 HydrophobicContact CG1-CD1 3.72Å; L207-T209 HydrophobicContact CD1-CG2 4.28Å; L207-T209 HydrophobicContact CD2-CG2 4.49Å; L207-T209 HydrophobicContact CG-CG2 4.33Å; L207-K229 WeakPolarHBondContact O-CA 3.27Å; L207-M230 HydrophobicContact CD2-CE 4.34Å; L207-M230 PolarHBondContact N-O 2.95Å; L207-M230 PolarHBondContact O-N 3.48Å; L207-V232 HydrophobicContact CB-CB 4.45Å; L207-V232 HydrophobicContact CB-CG1 3.53Å; L207-V232 HydrophobicContact CB-CG2 4.01Å; L207-V232 HydrophobicContact CD2-CG1 3.9Å; L207-V232 HydrophobicContact CG-CG1 4.35Å; L207-M249 HydrophobicContact CD1-CE 3.48Å; L207-M249 VanDerWaalsContact CD1-CE 3.48Å; L207-M249 HydrophobicContact CD2-CE 3.57Å; L207-M249 HydrophobicContact CD2-SD 3.82Å; L207-M249 HydrophobicContact CG-CE 4.18Å; L207-Y266 HydrophobicContact CD2-CD1 4.31Å
208	Y	97.5	Very high	88.1	Confident	11 Å²	11	41.7 Å²	41.7	4%	0.043	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.5	171.4	-62.2	-91.6	0	0	0	109.7	P180 E181 A199 A200 T202 M206 W210 V228 K229	P180-Y208 HydrophobicContact CB-CD1 3.44Å; P180-Y208 VanDerWaalsContact CB-CD1 3.44Å; P180-Y208 HydrophobicContact CB-CD2 3.93Å; P180-Y208 HydrophobicContact CB-CE1 3.61Å; P180-Y208 HydrophobicContact CB-CE2 4.11Å; P180-Y208 HydrophobicContact CB-CG 3.61Å; P180-Y208 HydrophobicContact CG-CD2 4.38Å; P180-Y208 HydrophobicContact CG-CG 4.26Å; E181-Y208 VanDerWaalsContact CB-OH 3.29Å; E181-Y208 WeakPolarHBondContact CB-OH 3.48Å; E181-Y208 PolarHBondContact OE1-OH 2.84Å; E181-Y208 PolarHBondContact OE2-OH 3.05Å; A199-Y208 CarbonylContact C-O 3.52Å; A199-Y208 WeakPolarHBondContact CA-O 3.45Å; A200-Y208 PolarHBondContact N-O 3.11Å; A200-Y208 PolarHBondContact O-N 2.99Å; T202-Y208 HydrophobicContact CG2-CD2 4.05Å; T202-Y208 HydrophobicContact CG2-CE2 3.66Å; M206-Y208 HydrophobicContact CB-CD2 4.35Å; M206-Y208 HydrophobicContact CB-CE2 3.58Å; Y208-W210 HydrophobicContact CG-CH2 4.15Å; Y208-W210 WeakPolarHBondContact O-CZ3 3.35Å; Y208-V228 CarbonylContact C-O 3.56Å; Y208-V228 VanDerWaalsContact CA-O 3.27Å; Y208-V228 WeakPolarHBondContact CA-O 3.25Å; Y208-K229 HydrophobicContact CD1-CB 4.04Å; Y208-K229 HydrophobicContact CD1-CG 4.09Å; Y208-K229 HydrophobicContact CE1-CB 3.94Å; Y208-K229 HydrophobicContact CE1-CD 3.67Å; Y208-K229 HydrophobicContact CE1-CG 3.52Å; Y208-K229 VanDerWaalsContact OH-CE 3.24Å; Y208-K229 WeakPolarHBondContact OH-CE 3.27Å; Y208-K229 PolarHBondContact OH-NZ 2.84Å
209	T	96.9	Very high	86.6	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	151.4	173.2	64.4	0	0	0	0	112.3	L198 A199 L207 K227 V228 Y266	L198-T209 CarbonylContact O-C 3.59Å; L198-T209 WeakPolarHBondContact O-CA 3.36Å; A199-T209 HydrophobicContact CB-CG2 4.19Å; L207-T209 HydrophobicContact CD1-CG2 4.28Å; L207-T209 HydrophobicContact CD2-CG2 4.49Å; L207-T209 HydrophobicContact CG-CG2 4.33Å; T209-K227 PolarHBondContact O-N 2.75Å; T209-V228 PolarHBondContact N-O 3.41Å; T209-V228 PolarHBondContact OG1-N 3.48Å; T209-Y266 HydrophobicContact CG2-CE1 3.67Å; T209-Y266 PolarHBondContact OG1-OH 3.09Å
210	W	95.5	Very high	85.1	Confident	12 Å²	12	51.7 Å²	51.7	5%	0.045	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.1	174.3	-61.8	-106.3	0	0	0	109.9	I165 P180 M197 L198 A200 Y208 H225	I165-W210 HydrophobicContact CD1-CH2 3.75Å; I165-W210 HydrophobicContact CD1-CZ2 4.43Å; I165-W210 HydrophobicContact CD1-CZ3 4Å; P180-W210 HydrophobicContact CB-CH2 4.02Å; P180-W210 HydrophobicContact CB-CZ2 3.83Å; P180-W210 HydrophobicContact CG-CH2 3.51Å; P180-W210 HydrophobicContact CG-CZ2 3.56Å; M197-W210 WeakPolarHBondContact CA-O 3.24Å; L198-W210 HydrophobicContact CB-CB 4.38Å; L198-W210 HydrophobicContact CB-CE3 4.25Å; L198-W210 HydrophobicContact CD2-CD2 4.31Å; L198-W210 HydrophobicContact CD2-CE3 3.79Å; L198-W210 HydrophobicContact CD2-CZ3 4.29Å; L198-W210 HydrophobicContact CG-CE3 3.95Å; L198-W210 HydrophobicContact CG-CZ3 4.45Å; L198-W210 PolarHBondContact N-O 3.08Å; L198-W210 PolarHBondContact O-N 3.1Å; A200-W210 HydrophobicContact CB-CH2 3.98Å; A200-W210 HydrophobicContact CB-CZ3 3.6Å; Y208-W210 HydrophobicContact CG-CH2 4.15Å; Y208-W210 WeakPolarHBondContact O-CZ3 3.35Å; W210-H225 CarbonylContact C-O 3.57Å; W210-H225 WeakPolarHBondContact CA-O 3.29Å
211	S	93.6	Very high	83.6	Confident	58 Å²	58	55.5 Å²	55.5	41%	0.406	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.3	159.8	-179.4	0	0	0	0	109	T196 T224 H225	T196-S211 CarbonylContact O-C 3.59Å; T196-S211 WeakPolarHBondContact O-CA 3.16Å; S211-T224 WeakPolarHBondContact O-CA 3.47Å; S211-H225 PolarHBondContact N-O 2.94Å; S211-H225 PolarHBondContact O-N 2.78Å
212	L	91.9	Very high	82.4	Confident	12 Å²	12	57.5 Å²	57.5	6%	0.063	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.1	177.8	-57.9	-179.1	0	0	0	108.9	F157 V191 G195 T196 L198 S214 R223 T224	F157-L212 HydrophobicContact CE2-CD1 4.23Å; F157-L212 HydrophobicContact CZ-CD1 3.98Å; F157-L212 HydrophobicContact CZ-CD2 4Å; V191-L212 HydrophobicContact CG1-CD1 3.86Å; G195-L212 WeakPolarHBondContact O-CB 3.5Å; T196-L212 PolarHBondContact O-N 3.49Å; L198-L212 HydrophobicContact CB-CD1 4.15Å; L198-L212 HydrophobicContact CB-CD2 4.01Å; L198-L212 HydrophobicContact CB-CG 4.21Å; L212-S214 PolarHBondContact O-N 2.74Å; L212-R223 WeakPolarHBondContact CA-O 3.35Å; L212-T224 HydrophobicContact CD2-CG2 3.71Å
213	A	82.4	Confident	81.4	Confident	39 Å²	39	59.2 Å²	59.2	32%	0.322	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-72.9	118.7	178.1	0	0	0	0	0	110.7	R223	A213-R223 PolarHBondContact N-O 2.78Å; A213-R223 PolarHBondContact O-NH2 3Å
214	S	68.7	Low	80.8	Confident	109 Å²	109	57.2 Å²	57.2	76%	0.762	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-75.2	134.5	165.4	61.7	0	0	0	0	110.2	L212	L212-S214 PolarHBondContact O-N 2.74Å
215	G	64.5	Low	80.4	Confident	60 Å²	60	55.3 Å²	55.3	62%	0.619	36%	0.355	S	S	*	.	S	Bend	trans	135	-159.7	168.8	0	0	0	0	0	115.5	V217	G215-V217 PolarHBondContact O-N 2.79Å
216	L	57.4	Low	80.2	Confident	167 Å²	167	60.5 Å²	60.5	87%	0.874	39%	0.389	S	S	*	.			trans	-63.5	130	178.1	-79.1	158.2	0	0	0	110.2	I218	L216-I218 PolarHBondContact O-N 3.23Å; L216-I218 VanDerWaalsContact O-N 3.14Å
217	V	63.1	Low	79.9	Confident	82 Å²	82	64.2 Å²	64.2	50%	0.497	40%	0.404	S	S	.	.			trans	-67.3	111.5	172	-177.8	0	0	0	0	107.9	G215	G215-V217 PolarHBondContact O-N 2.79Å
218	I	63.3	Low	79.8	Confident	106 Å²	106	66 Å²	66	54%	0.544	42%	0.415	S	S	.	.			trans	-92.5	120.1	173.5	-55.6	174.2	0	0	0	107.4	L216 G220 V221	L216-I218 PolarHBondContact O-N 3.23Å; L216-I218 VanDerWaalsContact O-N 3.14Å; I218-G220 PolarHBondContact O-N 2.84Å; I218-V221 HydrophobicContact CB-CB 4.18Å; I218-V221 HydrophobicContact CB-CG2 4Å; I218-V221 HydrophobicContact CG2-CB 4.48Å; I218-V221 HydrophobicContact CG2-CG2 3.78Å; I218-V221 PolarHBondContact O-N 2.93Å; I218-V221 VanDerWaalsContact O-N 3.15Å
219	P	64.3	Low	79.7	Confident	122 Å²	122	71 Å²	71	79%	0.792	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	129.1	179.2	-25.8	34.4	0	0	0	111.9	V221	P219-V221 VanDerWaalsContact C-N 3.32Å; P219-V221 PolarHBondContact O-N 3.39Å
220	G	67.3	Low	79.7	Confident	90 Å²	90	73.2 Å²	73.2	93%	0.928	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-5.1	177.9	0	0	0	0	0	115.7	I218	I218-G220 PolarHBondContact O-N 2.84Å
221	V	67.3	Low	79.8	Confident	81 Å²	81	78.5 Å²	78.5	49%	0.491	47%	0.473	S	S	.	.			trans	-96.9	119.9	172.8	-178.5	0	0	0	0	108.7	I218 P219 R223	I218-V221 HydrophobicContact CB-CB 4.18Å; I218-V221 HydrophobicContact CB-CG2 4Å; I218-V221 HydrophobicContact CG2-CB 4.48Å; I218-V221 HydrophobicContact CG2-CG2 3.78Å; I218-V221 PolarHBondContact O-N 2.93Å; I218-V221 VanDerWaalsContact O-N 3.15Å; P219-V221 VanDerWaalsContact C-N 3.32Å; P219-V221 PolarHBondContact O-N 3.39Å; V221-R223 PolarHBondContact O-N 3.1Å
222	S	72.5	Confident	80	Confident	41 Å²	41	75.9 Å²	75.9	29%	0.287	46%	0.455	S	S	.	.			trans	-62.5	132.9	175.4	-173.2	0	0	0	0	110.1	E176 T224 H225	E176-S222 VanDerWaalsContact OE1-CA 3.3Å; E176-S222 WeakPolarHBondContact OE1-CA 3.27Å; E176-S222 WeakPolarHBondContact OE1-CB 3.33Å; E176-S222 PolarHBondContact OE1-OG 2.69Å; S222-T224 PolarHBondContact O-N 3.39Å; S222-T224 PolarHBondContact OG-N 3.26Å; S222-T224 PolarHBondContact OG-O 2.82Å; S222-H225 PolarHBondContact O-CE1 3.27Å
223	R	77.8	Confident	80.3	Confident	37 Å²	37	75.3 Å²	75.3	14%	0.14	45%	0.452	C	S	.	.	S	Bend	trans	-81.7	-3.5	177.5	-63.9	-174	67.6	-150.7	-11.3	112.5	E155 L212 A213 V221	E155-R223 IonicContact OE1-CZ 3.68Å; E155-R223 IonicContact OE1-NH1 2.93Å; E155-R223 PolarHBondContact OE1-NH1 3.05Å; E155-R223 IonicContact OE2-CZ 3.41Å; E155-R223 IonicContact OE2-NH1 2.71Å; E155-R223 PolarHBondContact OE2-NH1 2.89Å; L212-R223 WeakPolarHBondContact CA-O 3.35Å; A213-R223 PolarHBondContact N-O 2.78Å; A213-R223 PolarHBondContact O-NH2 3Å; V221-R223 PolarHBondContact O-N 3.1Å
224	T	82.8	Confident	81	Confident	8 Å²	8	78 Å²	78	5%	0.049	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.4	-177.7	79	0	0	0	0	110.8	F178 S211 L212 S222	F178-T224 HydrophobicContact CD1-CG2 4.29Å; F178-T224 WeakPolarHBondContact CD1-OG1 3.45Å; F178-T224 HydrophobicContact CE1-CG2 3.57Å; F178-T224 WeakPolarHBondContact CE1-OG1 3.34Å; F178-T224 HydrophobicContact CE2-CG2 3.96Å; F178-T224 HydrophobicContact CZ-CG2 3.36Å; S211-T224 WeakPolarHBondContact O-CA 3.47Å; L212-T224 HydrophobicContact CD2-CG2 3.71Å; S222-T224 PolarHBondContact O-N 3.39Å; S222-T224 PolarHBondContact OG-N 3.26Å; S222-T224 PolarHBondContact OG-O 2.82Å
225	H	88.8	Confident	82.4	Confident	95 Å²	95	78.5 Å²	78.5	44%	0.44	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	113.3	-179.4	-61.7	84	0	0	0	108.8	W210 S211 S222 K227	W210-H225 CarbonylContact C-O 3.57Å; W210-H225 WeakPolarHBondContact CA-O 3.29Å; S211-H225 PolarHBondContact N-O 2.94Å; S211-H225 PolarHBondContact O-N 2.78Å; S222-H225 PolarHBondContact O-CE1 3.27Å; H225-K227 PolarHBondContact O-N 2.93Å
226	P	92.4	Very high	84	Confident	110 Å²	110	79.2 Å²	79.2	71%	0.714	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.2	132.4	178.8	-23.4	31.9	0	0	0	111.3
227	K	92.8	Very high	85.9	Confident	108 Å²	108	71.2 Å²	71.2	47%	0.47	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-53.6	-176.5	-173.4	-173.4	172.5	-162.7	0	111.8	T209 H225 T263 Y266	T209-K227 PolarHBondContact O-N 2.75Å; H225-K227 PolarHBondContact O-N 2.93Å; K227-T263 PolarHBondContact NZ-O 2.76Å; K227-Y266 HydrophobicContact CD-CE2 4.39Å; K227-Y266 WeakPolarHBondContact CD-OH 3.31Å; K227-Y266 PolarHBondContact NZ-OH 2.86Å
228	V	94.9	Very high	87.6	Confident	38 Å²	38	67.8 Å²	67.8	23%	0.23	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.2	-178.7	168	0	0	0	0	112.1	Y208 T209 M230 Y266	Y208-V228 CarbonylContact C-O 3.56Å; Y208-V228 VanDerWaalsContact CA-O 3.27Å; Y208-V228 WeakPolarHBondContact CA-O 3.25Å; T209-V228 PolarHBondContact N-O 3.41Å; T209-V228 PolarHBondContact OG1-N 3.48Å; V228-M230 HydrophobicContact CG1-CB 3.9Å; V228-Y266 HydrophobicContact CB-CD2 4.18Å; V228-Y266 HydrophobicContact CB-CE2 3.91Å; V228-Y266 HydrophobicContact CG1-CD2 4.24Å; V228-Y266 HydrophobicContact CG1-CE2 4.44Å; V228-Y266 HydrophobicContact CG1-CG 4.28Å; V228-Y266 HydrophobicContact CG2-CD2 3.45Å; V228-Y266 VanDerWaalsContact CG2-CD2 3.45Å; V228-Y266 HydrophobicContact CG2-CE2 3.21Å; V228-Y266 HydrophobicContact CG2-CG 4.29Å
229	K	95.8	Very high	89.3	Confident	116 Å²	116	63.6 Å²	63.6	50%	0.504	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	120.7	162.3	173	179.1	-175.3	161.5	0	107.5	E181 M206 L207 Y208	E181-K229 IonicContact OE1-NZ 3.83Å; E181-K229 PolarHBondContact OE1-NZ 3.29Å; M206-K229 HydrophobicContact CE-CG 4Å; L207-K229 WeakPolarHBondContact O-CA 3.27Å; Y208-K229 HydrophobicContact CD1-CB 4.04Å; Y208-K229 HydrophobicContact CD1-CG 4.09Å; Y208-K229 HydrophobicContact CE1-CB 3.94Å; Y208-K229 HydrophobicContact CE1-CD 3.67Å; Y208-K229 HydrophobicContact CE1-CG 3.52Å; Y208-K229 VanDerWaalsContact OH-CE 3.24Å; Y208-K229 WeakPolarHBondContact OH-CE 3.27Å; Y208-K229 PolarHBondContact OH-NZ 2.84Å
230	M	96.6	Very high	90.9	Very high	47 Å²	47	57.8 Å²	57.8	23%	0.232	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	143.4	-176.6	-174.9	171.3	69.7	0	0	111.7	M206 L207 V228 V232 W261	M206-M230 CarbonylContact C-O 3.57Å; M206-M230 WeakPolarHBondContact CA-O 3.23Å; L207-M230 HydrophobicContact CD2-CE 4.34Å; L207-M230 PolarHBondContact N-O 2.95Å; L207-M230 PolarHBondContact O-N 3.48Å; V228-M230 HydrophobicContact CG1-CB 3.9Å; M230-V232 HydrophobicContact CE-CG1 3.84Å; M230-W261 HydrophobicContact CE-CD2 4.27Å; M230-W261 HydrophobicContact CE-CE3 3.78Å; M230-W261 HydrophobicContact CE-CH2 4.36Å; M230-W261 HydrophobicContact CE-CZ3 3.83Å
231	E	97.7	Very high	92.4	Very high	122 Å²	122	55.9 Å²	55.9	57%	0.57	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	118.2	168.7	-171.2	-179.6	157	0	0	109.4	M206	M206-E231 HydrophobicContact CE-CB 4.23Å; M206-E231 HydrophobicContact SD-CB 3.76Å; M206-E231 HydrophobicContact SD-CG 4.04Å
232	V	98.2	Very high	93.9	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.018	26%	0.26	C	S	.	.			trans	-100.6	-30.4	-179.5	-72.8	0	0	0	0	112.4	G205 L207 M230 T251 K259 W261	G205-V232 WeakPolarHBondContact O-CG2 3.27Å; G205-V232 PolarHBondContact O-N 3.1Å; L207-V232 HydrophobicContact CB-CB 4.45Å; L207-V232 HydrophobicContact CB-CG1 3.53Å; L207-V232 HydrophobicContact CB-CG2 4.01Å; L207-V232 HydrophobicContact CD2-CG1 3.9Å; L207-V232 HydrophobicContact CG-CG1 4.35Å; M230-V232 HydrophobicContact CE-CG1 3.84Å; V232-T251 HydrophobicContact CG2-CG2 4.28Å; V232-K259 VanDerWaalsContact O-CD 3.3Å; V232-K259 WeakPolarHBondContact O-CD 3.44Å; V232-K259 WeakPolarHBondContact O-CE 3.25Å; V232-K259 PolarHBondContact O-NZ 3.24Å; V232-W261 HydrophobicContact CB-CH2 4.24Å; V232-W261 HydrophobicContact CB-CZ2 3.54Å; V232-W261 HydrophobicContact CG1-CD2 4.46Å; V232-W261 HydrophobicContact CG1-CH2 4.07Å; V232-W261 HydrophobicContact CG1-CZ2 3.52Å
233	H	98.4	Very high	95.1	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.246	C	C	.	.			trans	-142.6	143.8	-179.4	-67.9	-85.2	0	0	0	111.5	G205 K235 T251 S253 D255	G205-H233 WeakPolarHBondContact CA-O 3.47Å; G205-H233 PolarHBondContact O-N 2.92Å; H233-K235 VanDerWaalsContact C-N 3.25Å; H233-K235 PolarHBondContact O-N 3.45Å; H233-T251 PolarHBondContact CD2-OG1 2.79Å; H233-T251 WeakPolarHBondContact NE2-CB 3.46Å; H233-T251 PolarHBondContact NE2-O 2.96Å; H233-T251 PolarHBondContact NE2-OG1 3.35Å; H233-S253 VanDerWaalsContact ND1-CB 3.29Å; H233-S253 WeakPolarHBondContact ND1-CB 3.45Å; H233-D255 IonicContact CE1-OD1 3.36Å; H233-D255 IonicContact CE1-OD2 2.76Å; H233-D255 IonicContact CG-OD2 3.46Å; H233-D255 VanDerWaalsContact ND1-CG 3.31Å; H233-D255 IonicContact ND1-OD1 2.75Å; H233-D255 PolarHBondContact ND1-OD1 3.35Å; H233-D255 IonicContact ND1-OD2 2.74Å; H233-D255 PolarHBondContact ND1-OD2 3.01Å
234	P	97.4	Very high	96	Very high	94 Å²	94	50.6 Å²	50.6	61%	0.61	25%	0.25	S	S	*	.	S	Bend	trans	-80	-5	177.3	33.5	-37.2	0	0	0	113.6	D255	P234-D255 WeakPolarHBondContact CD-OD2 3.48Å; P234-D255 HydrophobicContact CG-CB 4.38Å
235	K	97.5	Very high	96.7	Very high	120 Å²	120	53.8 Å²	53.8	52%	0.522	27%	0.267	S	S	.	.	S	Bend	trans	-131.1	178.3	177.7	-59.4	-168.1	-178.7	177.4	0	110.2	H233 T237 S253 A254 D255	H233-K235 VanDerWaalsContact C-N 3.25Å; H233-K235 PolarHBondContact O-N 3.45Å; K235-T237 PolarHBondContact O-N 3.35Å; K235-S253 PolarHBondContact O-OG 2.84Å; K235-A254 HydrophobicContact CB-CB 4.46Å; K235-D255 HydrophobicContact CB-CB 4.01Å; K235-D255 HydrophobicContact CD-CB 4.3Å; K235-D255 HydrophobicContact CG-CB 4.15Å
236	Y	97.5	Very high	97.1	Very high	75 Å²	75	50.1 Å²	50.1	29%	0.294	25%	0.252	S	S	.	.			trans	-44.9	108.4	-178.8	-154.7	-70.7	0	0	0	113.4	Q187 H203 L238 S253 A254	Q187-Y236 HydrophobicContact CG-CE1 4.13Å; Q187-Y236 PolarHBondContact OE1-OH 2.9Å; H203-Y236 HydrophobicContact CB-CD2 4Å; H203-Y236 HydrophobicContact CB-CE1 3.99Å; H203-Y236 HydrophobicContact CB-CE2 3.48Å; H203-Y236 VanDerWaalsContact CB-CE2 3.48Å; H203-Y236 HydrophobicContact CB-CG 4.48Å; H203-Y236 VanDerWaalsContact CB-CZ 3.43Å; H203-Y236 VanDerWaalsContact O-CA 3.31Å; H203-Y236 WeakPolarHBondContact O-CA 3.18Å; Y236-L238 HydrophobicContact CD1-CD2 3.72Å; Y236-L238 HydrophobicContact CD1-CG 4.23Å; Y236-L238 HydrophobicContact CE1-CD2 3.95Å; Y236-S253 CarbonylContact O-C 3.57Å; Y236-S253 WeakPolarHBondContact O-CA 3.4Å; Y236-S253 PolarHBondContact O-OG 3.09Å; Y236-A254 WeakPolarHBondContact O-CB 3.25Å; Y236-A254 PolarHBondContact O-N 2.92Å
237	T	98	Very high	97.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	139.5	171.4	-55.7	0	0	0	0	109.3	Q187 V201 T202 G205 K235 T252	Q187-T237 WeakPolarHBondContact CG-O 3.44Å; V201-T237 HydrophobicContact CB-CG2 3.67Å; V201-T237 HydrophobicContact CG1-CG2 3.99Å; V201-T237 HydrophobicContact CG2-CG2 3.69Å; T202-T237 WeakPolarHBondContact O-CB 3.35Å; G205-T237 VanDerWaalsContact CA-OG1 3.25Å; G205-T237 WeakPolarHBondContact CA-OG1 3.13Å; K235-T237 PolarHBondContact O-N 3.35Å; T237-T252 CarbonylContact C-O 3.47Å; T237-T252 WeakPolarHBondContact CA-O 3.28Å; T237-T252 VanDerWaalsContact CG2-O 3.27Å; T237-T252 WeakPolarHBondContact CG2-O 3.25Å
238	L	98.3	Very high	97.6	Very high	9 Å²	9	44 Å²	44	5%	0.047	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	-42.3	-169.9	-68.4	164	0	0	0	112.4	Q187 Y236 T252 W279 V280 W281	Q187-L238 VanDerWaalsContact CG-O 3.31Å; Q187-L238 WeakPolarHBondContact CG-O 3.09Å; Y236-L238 HydrophobicContact CD1-CD2 3.72Å; Y236-L238 HydrophobicContact CD1-CG 4.23Å; Y236-L238 HydrophobicContact CE1-CD2 3.95Å; L238-T252 PolarHBondContact N-O 3.07Å; L238-W279 HydrophobicContact CD1-CB 4.22Å; L238-W279 HydrophobicContact CD1-CE3 4.05Å; L238-W279 HydrophobicContact CD2-CE3 4.47Å; L238-V280 VanDerWaalsContact CD1-O 3.23Å; L238-V280 WeakPolarHBondContact CD1-O 3.46Å; L238-W281 HydrophobicContact CD1-CD2 4.26Å; L238-W281 HydrophobicContact CD1-CE3 4.22Å; L238-W281 HydrophobicContact CD2-CE3 3.89Å; L238-W281 HydrophobicContact CD2-CZ3 3.89Å
239	R	98.4	Very high	97.8	Very high	18 Å²	18	42.2 Å²	42.2	7%	0.068	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.1	-179.8	-156.8	75.8	-163.3	171.1	9.5	111.9	S188 R241 T251 T252 D282	S188-R239 WeakPolarHBondContact OG-CD 3.43Å; S188-R239 PolarHBondContact OG-NE 2.89Å; R239-R241 VanDerWaalsContact NH2-CZ 3.26Å; R239-T251 CarbonylContact O-C 3.49Å; R239-T251 VanDerWaalsContact O-CA 3.29Å; R239-T251 WeakPolarHBondContact O-CA 3.27Å; R239-T252 HydrophobicContact CB-CG2 4.42Å; R239-T252 VanDerWaalsContact CB-OG1 3.27Å; R239-T252 WeakPolarHBondContact CB-OG1 3.46Å; R239-T252 PolarHBondContact N-OG1 2.82Å; R239-T252 VanDerWaalsContact N-OG1 3.1Å; R239-T252 PolarHBondContact O-N 2.81Å; R239-D282 WeakPolarHBondContact CD-OD1 3.48Å; R239-D282 WeakPolarHBondContact CG-OD1 3.41Å; R239-D282 IonicContact NE-OD1 3.06Å
240	C	98.5	Very high	97.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.5	158.5	62.4	0	0	0	0	110.7	S188 V201 V250 T251	S188-C240 PolarHBondContact O-SG 2.79Å; S188-C240 PolarHBondContact OG-N 3.48Å; S188-C240 PolarHBondContact OG-O 2.83Å; V201-C240 HydrophobicContact CB-CB 4.44Å; V201-C240 HydrophobicContact CG1-CB 3.72Å; V201-C240 HydrophobicContact CG2-CB 3.88Å; C240-V250 CarbonylContact C-O 3.51Å; C240-V250 VanDerWaalsContact CA-O 3.25Å; C240-V250 WeakPolarHBondContact CA-O 3.48Å; C240-T251 HydrophobicContact CB-CG2 4.24Å
241	R	98.5	Very high	98	Very high	51 Å²	51	34.4 Å²	34.4	19%	0.192	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	143.8	171.5	-72.8	-67.9	179	-128.5	24.1	110.9	D190 R239 M249 V250 F285	D190-R241 IonicContact OD1-CZ 2.67Å; D190-R241 IonicContact OD1-NE 2.75Å; D190-R241 IonicContact OD1-NH1 3.12Å; D190-R241 PolarHBondContact OD1-NH1 3.4Å; D190-R241 VanDerWaalsContact OD2-CA 3.24Å; D190-R241 WeakPolarHBondContact OD2-CA 3.21Å; D190-R241 WeakPolarHBondContact OD2-CD 3.39Å; R239-R241 VanDerWaalsContact NH2-CZ 3.26Å; R241-M249 CarbonylContact O-C 3.5Å; R241-M249 WeakPolarHBondContact O-CA 3.37Å; R241-M249 VanDerWaalsContact O-CB 3.3Å; R241-M249 WeakPolarHBondContact O-CB 3.41Å; R241-V250 HydrophobicContact CB-CG1 3.84Å; R241-V250 PolarHBondContact N-O 2.84Å; R241-V250 PolarHBondContact O-N 3.15Å; R241-F285 HydrophobicContact CB-CD2 4.11Å; R241-F285 HydrophobicContact CB-CE2 4.1Å
242	I	98.6	Very high	98.1	Very high	12 Å²	12	28.6 Å²	28.6	6%	0.062	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	142.8	169.8	-57.7	165.2	0	0	0	107.9	D190 D192 M197 A199 M249 T263	D190-I242 HydrophobicContact CB-CG1 4.5Å; D190-I242 PolarHBondContact OD2-N 2.74Å; D192-I242 HydrophobicContact CB-CD1 4.12Å; D192-I242 HydrophobicContact CB-CG2 3.95Å; M197-I242 HydrophobicContact CE-CD1 3.64Å; M197-I242 HydrophobicContact CE-CG1 4.03Å; M197-I242 HydrophobicContact CE-CG2 3.81Å; M197-I242 HydrophobicContact CG-CD1 4.38Å; A199-I242 HydrophobicContact CB-CD1 3.96Å; A199-I242 HydrophobicContact CB-CG1 4.23Å; I242-M249 HydrophobicContact CG1-CB 4.38Å; I242-T263 HydrophobicContact CG2-CG2 4.45Å
243	S	98.2	Very high	98.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	15%	0.147	C	C	.	.			trans	-68.6	152.2	176.6	59.8	0	0	0	0	111.3	D245 S246 T247 L248	S243-D245 WeakPolarHBondContact CB-OD1 3.48Å; S243-D245 PolarHBondContact O-N 2.74Å; S243-D245 VanDerWaalsContact O-N 3.15Å; S243-D245 PolarHBondContact OG-OD1 3.23Å; S243-S246 WeakPolarHBondContact O-CA 3.43Å; S243-S246 PolarHBondContact O-N 2.85Å; S243-T247 PolarHBondContact OG-N 3.09Å; S243-L248 PolarHBondContact N-O 3.18Å; S243-L248 PolarHBondContact OG-N 3.19Å; S243-L248 PolarHBondContact OG-O 3.04Å; S243-L248 VanDerWaalsContact OG-O 3.09Å
244	P	97	Very high	98.1	Very high	34 Å²	34	28.6 Å²	28.6	22%	0.221	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.3	179.5	-31.5	35.4	0	0	0	116.3	N193 S246 F285 L287 S289	N193-P244 WeakPolarHBondContact ND2-CA 3.44Å; N193-P244 PolarHBondContact ND2-O 2.97Å; P244-S246 VanDerWaalsContact C-N 3.31Å; P244-F285 HydrophobicContact CG-CB 4.36Å; P244-L287 HydrophobicContact CB-CD1 4.35Å; P244-S289 VanDerWaalsContact CD-OG 3.28Å; P244-S289 WeakPolarHBondContact CD-OG 3.31Å
245	D	96.7	Very high	98.1	Very high	76 Å²	76	25 Å²	25	41%	0.406	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	4.1	175.6	71	-10	0	0	0	113.6	S243 T247 S289	S243-D245 WeakPolarHBondContact CB-OD1 3.48Å; S243-D245 PolarHBondContact O-N 2.74Å; S243-D245 VanDerWaalsContact O-N 3.15Å; S243-D245 PolarHBondContact OG-OD1 3.23Å; D245-T247 HydrophobicContact CB-CG2 4.31Å; D245-T247 WeakPolarHBondContact O-CG2 3.23Å; D245-T247 PolarHBondContact O-N 3.48Å; D245-T247 VanDerWaalsContact O-N 3.08Å; D245-T247 PolarHBondContact OD1-N 2.52Å; D245-T247 PolarHBondContact OD1-OG1 3.16Å; D245-T247 WeakPolarHBondContact OD2-CG2 3.17Å; D245-T247 PolarHBondContact OD2-OG1 2.87Å; D245-S289 PolarHBondContact N-OG 3.16Å; D245-S289 PolarHBondContact OD1-OG 3.17Å
246	S	97.3	Very high	98.2	Very high	17 Å²	17	23.5 Å²	23.5	12%	0.119	12%	0.119	C	C	.	.	S	Bend	trans	61.8	10.6	-179.6	-50.2	0	0	0	0	114.8	D194 S243 P244 T263	D194-S246 PolarHBondContact OD2-OG 3.33Å; S243-S246 WeakPolarHBondContact O-CA 3.43Å; S243-S246 PolarHBondContact O-N 2.85Å; P244-S246 VanDerWaalsContact C-N 3.31Å; S246-T263 WeakPolarHBondContact O-CB 3.49Å; S246-T263 WeakPolarHBondContact O-CG2 3.35Å; S246-T263 PolarHBondContact O-OG1 3.19Å
247	T	98.1	Very high	98.2	Very high	68 Å²	68	23.8 Å²	23.8	42%	0.417	12%	0.122	S	C	.	.	S	Bend	trans	-90.1	-25.9	-175.3	69.7	0	0	0	0	114.1	S243 D245 T263	S243-T247 PolarHBondContact OG-N 3.09Å; D245-T247 HydrophobicContact CB-CG2 4.31Å; D245-T247 WeakPolarHBondContact O-CG2 3.23Å; D245-T247 PolarHBondContact O-N 3.48Å; D245-T247 VanDerWaalsContact O-N 3.08Å; D245-T247 PolarHBondContact OD1-N 2.52Å; D245-T247 PolarHBondContact OD1-OG1 3.16Å; D245-T247 WeakPolarHBondContact OD2-CG2 3.17Å; D245-T247 PolarHBondContact OD2-OG1 2.87Å; T247-T263 VanDerWaalsContact C-OG1 3.3Å; T247-T263 WeakPolarHBondContact CA-OG1 3.22Å; T247-T263 PolarHBondContact O-N 3.28Å; T247-T263 PolarHBondContact O-OG1 2.84Å; T247-T263 VanDerWaalsContact O-OG1 3.11Å
248	L	98.5	Very high	98.3	Very high	22 Å²	22	23.8 Å²	23.8	12%	0.115	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	161.1	-178.1	-62.9	178.2	0	0	0	110.9	S243 V260 W261 K262 T263 V269 F285 C306	S243-L248 PolarHBondContact N-O 3.18Å; S243-L248 PolarHBondContact OG-N 3.19Å; S243-L248 PolarHBondContact OG-O 3.04Å; S243-L248 VanDerWaalsContact OG-O 3.09Å; L248-V260 HydrophobicContact CB-CG1 4.36Å; L248-V260 HydrophobicContact CD1-CG1 4.2Å; L248-V260 HydrophobicContact CD2-CG1 4.28Å; L248-W261 CarbonylContact C-O 3.51Å; L248-W261 VanDerWaalsContact CA-O 3.29Å; L248-W261 WeakPolarHBondContact CA-O 3.14Å; L248-K262 HydrophobicContact CD2-CG 4.26Å; L248-T263 WeakPolarHBondContact O-CG2 3.44Å; L248-V269 HydrophobicContact CD2-CG2 3.99Å; L248-F285 HydrophobicContact CB-CE1 4.34Å; L248-F285 HydrophobicContact CB-CZ 4.23Å; L248-C306 HydrophobicContact CD1-CB 3.65Å
249	M	98.4	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	152.4	165.5	63.2	-176.3	-58	0	0	109.9	A199 L207 R241 I242 V260 W261 T263 Y266	A199-M249 HydrophobicContact CB-CE 3.79Å; L207-M249 HydrophobicContact CD1-CE 3.48Å; L207-M249 VanDerWaalsContact CD1-CE 3.48Å; L207-M249 HydrophobicContact CD2-CE 3.57Å; L207-M249 HydrophobicContact CD2-SD 3.82Å; L207-M249 HydrophobicContact CG-CE 4.18Å; R241-M249 CarbonylContact O-C 3.5Å; R241-M249 WeakPolarHBondContact O-CA 3.37Å; R241-M249 VanDerWaalsContact O-CB 3.3Å; R241-M249 WeakPolarHBondContact O-CB 3.41Å; I242-M249 HydrophobicContact CG1-CB 4.38Å; M249-V260 CarbonylContact O-C 3.56Å; M249-V260 WeakPolarHBondContact O-CA 3.22Å; M249-W261 HydrophobicContact CG-CB 3.74Å; M249-W261 HydrophobicContact CG-CG 4.27Å; M249-W261 PolarHBondContact N-O 2.78Å; M249-W261 PolarHBondContact O-N 3.34Å; M249-W261 HydrophobicContact SD-CB 4.49Å; M249-T263 HydrophobicContact CB-CG2 4.2Å; M249-T263 HydrophobicContact CG-CG2 4.31Å; M249-Y266 HydrophobicContact SD-CD1 4.14Å; M249-Y266 HydrophobicContact SD-CE1 3.98Å
250	V	98.8	Very high	98.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.4	176.8	64.1	0	0	0	0	110.1	C240 R241 A258 K259 V260 C283 F285 I292	C240-V250 CarbonylContact C-O 3.51Å; C240-V250 VanDerWaalsContact CA-O 3.25Å; C240-V250 WeakPolarHBondContact CA-O 3.48Å; R241-V250 HydrophobicContact CB-CG1 3.84Å; R241-V250 PolarHBondContact N-O 2.84Å; R241-V250 PolarHBondContact O-N 3.15Å; V250-A258 HydrophobicContact CG2-CB 4.08Å; V250-K259 CarbonylContact C-O 3.44Å; V250-K259 VanDerWaalsContact CA-O 3.25Å; V250-K259 WeakPolarHBondContact CA-O 3.11Å; V250-K259 WeakPolarHBondContact CG2-O 3.41Å; V250-V260 HydrophobicContact CG2-CG2 4.43Å; V250-C283 HydrophobicContact CG1-CB 4.1Å; V250-C283 VanDerWaalsContact CG1-SG 3.52Å; V250-F285 HydrophobicContact CB-CE2 4.15Å; V250-F285 HydrophobicContact CB-CZ 3.99Å; V250-F285 HydrophobicContact CG1-CD2 4.29Å; V250-F285 HydrophobicContact CG1-CE2 3.55Å; V250-F285 HydrophobicContact CG1-CZ 3.88Å; V250-I292 HydrophobicContact CB-CD1 4.12Å; V250-I292 HydrophobicContact CG1-CG2 4.48Å; V250-I292 HydrophobicContact CG2-CD1 4.21Å; V250-I292 HydrophobicContact CG2-CG2 4.36Å
251	T	98.8	Very high	98.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	142.1	171.1	58.2	0	0	0	0	109.9	V201 V232 H233 R239 C240 A258 K259 W261	V201-T251 HydrophobicContact CG1-CG2 3.98Å; V232-T251 HydrophobicContact CG2-CG2 4.28Å; H233-T251 PolarHBondContact CD2-OG1 2.79Å; H233-T251 WeakPolarHBondContact NE2-CB 3.46Å; H233-T251 PolarHBondContact NE2-O 2.96Å; H233-T251 PolarHBondContact NE2-OG1 3.35Å; R239-T251 CarbonylContact O-C 3.49Å; R239-T251 VanDerWaalsContact O-CA 3.29Å; R239-T251 WeakPolarHBondContact O-CA 3.27Å; C240-T251 HydrophobicContact CB-CG2 4.24Å; T251-A258 CarbonylContact O-C 3.58Å; T251-A258 WeakPolarHBondContact O-CA 3.4Å; T251-K259 PolarHBondContact N-O 2.89Å; T251-K259 PolarHBondContact O-N 3.36Å; T251-W261 PolarHBondContact OG1-NE1 2.89Å
252	T	98.8	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149.5	179.2	70.6	0	0	0	0	111	T237 L238 R239 A258 V280 W281 C283	T237-T252 CarbonylContact C-O 3.47Å; T237-T252 WeakPolarHBondContact CA-O 3.28Å; T237-T252 VanDerWaalsContact CG2-O 3.27Å; T237-T252 WeakPolarHBondContact CG2-O 3.25Å; L238-T252 PolarHBondContact N-O 3.07Å; R239-T252 HydrophobicContact CB-CG2 4.42Å; R239-T252 VanDerWaalsContact CB-OG1 3.27Å; R239-T252 WeakPolarHBondContact CB-OG1 3.46Å; R239-T252 PolarHBondContact N-OG1 2.82Å; R239-T252 VanDerWaalsContact N-OG1 3.1Å; R239-T252 PolarHBondContact O-N 2.81Å; T252-A258 HydrophobicContact CG2-CB 3.98Å; T252-V280 WeakPolarHBondContact CB-O 3.24Å; T252-V280 HydrophobicContact CG2-CG1 3.86Å; T252-V280 PolarHBondContact OG1-O 2.94Å; T252-W281 PolarHBondContact OG1-O 3.06Å; T252-C283 HydrophobicContact CG2-CB 3.72Å
253	S	98.7	Very high	98.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	161.9	-173	176.1	0	0	0	0	115	H233 K235 Y236 D255 Q256 K257 V280	H233-S253 VanDerWaalsContact ND1-CB 3.29Å; H233-S253 WeakPolarHBondContact ND1-CB 3.45Å; K235-S253 PolarHBondContact O-OG 2.84Å; Y236-S253 CarbonylContact O-C 3.57Å; Y236-S253 WeakPolarHBondContact O-CA 3.4Å; Y236-S253 PolarHBondContact O-OG 3.09Å; S253-D255 WeakPolarHBondContact CB-OD1 3.15Å; S253-D255 PolarHBondContact O-N 3.32Å; S253-D255 PolarHBondContact OG-N 2.59Å; S253-D255 VanDerWaalsContact OG-N 3.1Å; S253-D255 PolarHBondContact OG-OD1 3.02Å; S253-Q256 PolarHBondContact O-N 3.08Å; S253-K257 PolarHBondContact N-O 2.83Å; S253-K257 VanDerWaalsContact N-O 3.08Å; S253-V280 PolarHBondContact O-N 3.24Å
254	A	98.4	Very high	98.2	Very high	4 Å²	4	30.9 Å²	30.9	3%	0.033	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-10.8	166.7	0	0	0	0	0	113.6	K235 Y236 Q256 W279	K235-A254 HydrophobicContact CB-CB 4.46Å; Y236-A254 WeakPolarHBondContact O-CB 3.25Å; Y236-A254 PolarHBondContact O-N 2.92Å; A254-Q256 PolarHBondContact O-N 3.38Å; A254-W279 HydrophobicContact CB-CD2 3.53Å; A254-W279 HydrophobicContact CB-CE3 4Å; A254-W279 HydrophobicContact CB-CG 3.87Å; A254-W279 HydrophobicContact CB-CH2 4.2Å; A254-W279 HydrophobicContact CB-CZ2 3.75Å; A254-W279 HydrophobicContact CB-CZ3 4.31Å
255	D	98.1	Very high	98.1	Very high	19 Å²	19	33.9 Å²	33.9	10%	0.102	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	5.1	170.5	78.7	-9.3	0	0	0	114.2	H233 P234 K235 S253 K257	H233-D255 IonicContact CE1-OD1 3.36Å; H233-D255 IonicContact CE1-OD2 2.76Å; H233-D255 IonicContact CG-OD2 3.46Å; H233-D255 VanDerWaalsContact ND1-CG 3.31Å; H233-D255 IonicContact ND1-OD1 2.75Å; H233-D255 PolarHBondContact ND1-OD1 3.35Å; H233-D255 IonicContact ND1-OD2 2.74Å; H233-D255 PolarHBondContact ND1-OD2 3.01Å; P234-D255 WeakPolarHBondContact CD-OD2 3.48Å; P234-D255 HydrophobicContact CG-CB 4.38Å; K235-D255 HydrophobicContact CB-CB 4.01Å; K235-D255 HydrophobicContact CD-CB 4.3Å; K235-D255 HydrophobicContact CG-CB 4.15Å; S253-D255 WeakPolarHBondContact CB-OD1 3.15Å; S253-D255 PolarHBondContact O-N 3.32Å; S253-D255 PolarHBondContact OG-N 2.59Å; S253-D255 VanDerWaalsContact OG-N 3.1Å; S253-D255 PolarHBondContact OG-OD1 3.02Å; D255-K257 VanDerWaalsContact C-N 3.32Å; D255-K257 WeakPolarHBondContact OD1-CB 3.3Å; D255-K257 PolarHBondContact OD1-N 2.83Å
256	Q	98.4	Very high	98.2	Very high	88 Å²	88	31 Å²	31	41%	0.411	16%	0.163	S	C	.	.	S	Bend	trans	74.6	17.8	178	-46.2	165.6	3.4	0	0	113.9	S253 A254 T273 Q277 R278	S253-Q256 PolarHBondContact O-N 3.08Å; A254-Q256 PolarHBondContact O-N 3.38Å; Q256-T273 PolarHBondContact O-OG1 3.42Å; Q256-T273 VanDerWaalsContact O-OG1 3.04Å; Q256-Q277 HydrophobicContact CB-CB 4.4Å; Q256-Q277 WeakPolarHBondContact CB-O 3.36Å; Q256-Q277 WeakPolarHBondContact CG-O 3.36Å; Q256-Q277 PolarHBondContact O-NE2 3.02Å; Q256-Q277 PolarHBondContact OE1-O 2.55Å; Q256-Q277 VanDerWaalsContact OE1-O 3.12Å; Q256-R278 WeakPolarHBondContact CA-O 3.49Å
257	K	98.4	Very high	98.2	Very high	81 Å²	81	32.1 Å²	32.1	35%	0.352	17%	0.171	S	C	.	.			trans	-125.3	148.8	-179.2	-58.7	172.6	177.7	-175.8	0	110.8	S253 D255 V271	S253-K257 PolarHBondContact N-O 2.83Å; S253-K257 VanDerWaalsContact N-O 3.08Å; D255-K257 VanDerWaalsContact C-N 3.32Å; D255-K257 WeakPolarHBondContact OD1-CB 3.3Å; D255-K257 PolarHBondContact OD1-N 2.83Å; K257-V271 HydrophobicContact CB-CG1 4.17Å; K257-V271 HydrophobicContact CD-CG1 3.73Å; K257-V271 HydrophobicContact CG-CG1 4.01Å
258	A	98.8	Very high	98.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143	149.5	0	0	0	0	0	108.5	V250 T251 T252 L272 V280 T294	V250-A258 HydrophobicContact CG2-CB 4.08Å; T251-A258 CarbonylContact O-C 3.58Å; T251-A258 WeakPolarHBondContact O-CA 3.4Å; T252-A258 HydrophobicContact CG2-CB 3.98Å; A258-L272 HydrophobicContact CB-CB 4.15Å; A258-L272 HydrophobicContact CB-CD1 4.3Å; A258-L272 PolarHBondContact N-O 2.87Å; A258-L272 PolarHBondContact O-N 3.31Å; A258-V280 HydrophobicContact CB-CG1 4.26Å; A258-T294 HydrophobicContact CB-CG2 4.06Å
259	K	98.8	Very high	98.2	Very high	33 Å²	33	34.7 Å²	34.7	14%	0.143	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.4	179.7	-70.9	-176.2	169.1	-154.6	0	110.1	V232 V250 T251 W261 E268 A270 V271	V232-K259 VanDerWaalsContact O-CD 3.3Å; V232-K259 WeakPolarHBondContact O-CD 3.44Å; V232-K259 WeakPolarHBondContact O-CE 3.25Å; V232-K259 PolarHBondContact O-NZ 3.24Å; V250-K259 CarbonylContact C-O 3.44Å; V250-K259 VanDerWaalsContact CA-O 3.25Å; V250-K259 WeakPolarHBondContact CA-O 3.11Å; V250-K259 WeakPolarHBondContact CG2-O 3.41Å; T251-K259 PolarHBondContact N-O 2.89Å; T251-K259 PolarHBondContact O-N 3.36Å; K259-W261 HydrophobicContact CB-CZ2 3.64Å; K259-W261 HydrophobicContact CD-CH2 3.84Å; K259-W261 HydrophobicContact CD-CZ2 3.37Å; K259-W261 HydrophobicContact CG-CZ2 4.2Å; K259-W261 PolarHBondContact O-NE1 3.27Å; K259-E268 WeakPolarHBondContact CD-OE2 3.37Å; K259-E268 VanDerWaalsContact CE-OE2 3.28Å; K259-E268 WeakPolarHBondContact CE-OE2 3.35Å; K259-E268 IonicContact NZ-OE2 2.95Å; K259-E268 PolarHBondContact NZ-OE2 2.79Å; K259-A270 WeakPolarHBondContact CA-O 3.3Å; K259-V271 HydrophobicContact CG-CG2 4.33Å
260	V	98.8	Very high	98.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.2	179.4	-170.6	0	0	0	0	108.4	L248 M249 V250 V269 A270 L272 I292	L248-V260 HydrophobicContact CB-CG1 4.36Å; L248-V260 HydrophobicContact CD1-CG1 4.2Å; L248-V260 HydrophobicContact CD2-CG1 4.28Å; M249-V260 CarbonylContact O-C 3.56Å; M249-V260 WeakPolarHBondContact O-CA 3.22Å; V250-V260 HydrophobicContact CG2-CG2 4.43Å; V260-V269 HydrophobicContact CB-CB 4.31Å; V260-V269 HydrophobicContact CG1-CB 4.24Å; V260-V269 PolarHBondContact O-N 3.45Å; V260-A270 HydrophobicContact CB-CB 4.16Å; V260-A270 HydrophobicContact CG2-CB 4.16Å; V260-A270 PolarHBondContact N-O 3.24Å; V260-A270 PolarHBondContact O-N 2.95Å; V260-L272 HydrophobicContact CG2-CD1 3.9Å; V260-L272 HydrophobicContact CG2-CD2 4.46Å; V260-L272 HydrophobicContact CG2-CG 4.1Å; V260-I292 HydrophobicContact CG1-CD1 4.32Å; V260-I292 HydrophobicContact CG2-CD1 3.5Å; V260-I292 VanDerWaalsContact CG2-CD1 3.5Å
261	W	98.7	Very high	98.2	Very high	13 Å²	13	37.6 Å²	37.6	5%	0.049	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.4	-174.5	-44.7	87.3	0	0	0	109.9	M230 V232 L248 M249 T251 K259 S267 E268	M230-W261 HydrophobicContact CE-CD2 4.27Å; M230-W261 HydrophobicContact CE-CE3 3.78Å; M230-W261 HydrophobicContact CE-CH2 4.36Å; M230-W261 HydrophobicContact CE-CZ3 3.83Å; V232-W261 HydrophobicContact CB-CH2 4.24Å; V232-W261 HydrophobicContact CB-CZ2 3.54Å; V232-W261 HydrophobicContact CG1-CD2 4.46Å; V232-W261 HydrophobicContact CG1-CH2 4.07Å; V232-W261 HydrophobicContact CG1-CZ2 3.52Å; L248-W261 CarbonylContact C-O 3.51Å; L248-W261 VanDerWaalsContact CA-O 3.29Å; L248-W261 WeakPolarHBondContact CA-O 3.14Å; M249-W261 HydrophobicContact CG-CB 3.74Å; M249-W261 HydrophobicContact CG-CG 4.27Å; M249-W261 PolarHBondContact N-O 2.78Å; M249-W261 PolarHBondContact O-N 3.34Å; M249-W261 HydrophobicContact SD-CB 4.49Å; T251-W261 PolarHBondContact OG1-NE1 2.89Å; K259-W261 HydrophobicContact CB-CZ2 3.64Å; K259-W261 HydrophobicContact CD-CH2 3.84Å; K259-W261 HydrophobicContact CD-CZ2 3.37Å; K259-W261 HydrophobicContact CG-CZ2 4.2Å; K259-W261 PolarHBondContact O-NE1 3.27Å; W261-S267 WeakPolarHBondContact CA-O 3.29Å; W261-E268 HydrophobicContact CE3-CB 3.93Å; W261-E268 HydrophobicContact CE3-CG 4.34Å; W261-E268 HydrophobicContact CH2-CG 4.43Å; W261-E268 HydrophobicContact CZ3-CB 3.75Å; W261-E268 HydrophobicContact CZ3-CG 4.11Å
262	K	98.1	Very high	98.2	Very high	91 Å²	91	37.6 Å²	37.6	40%	0.396	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	138.3	166.5	-66.1	-174	-174.3	164.9	0	110.4	L248 S264 D265 Y266 S267 V269	L248-K262 HydrophobicContact CD2-CG 4.26Å; K262-S264 VanDerWaalsContact C-N 3.32Å; K262-D265 WeakPolarHBondContact CB-OD1 3.49Å; K262-Y266 WeakPolarHBondContact O-CA 3.5Å; K262-Y266 PolarHBondContact O-N 3.1Å; K262-S267 PolarHBondContact N-O 3.33Å; K262-V269 HydrophobicContact CD-CG2 4.38Å; K262-V269 HydrophobicContact CG-CG2 3.47Å; K262-V269 VanDerWaalsContact CG-CG2 3.47Å
263	T	97.7	Very high	98.2	Very high	15 Å²	15	40.5 Å²	40.5	9%	0.092	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-18.3	177.8	57.5	0	0	0	0	113.2	M197 K227 I242 S246 T247 L248 M249	M197-T263 HydrophobicContact CE-CG2 3.53Å; K227-T263 PolarHBondContact NZ-O 2.76Å; I242-T263 HydrophobicContact CG2-CG2 4.45Å; S246-T263 WeakPolarHBondContact O-CB 3.49Å; S246-T263 WeakPolarHBondContact O-CG2 3.35Å; S246-T263 PolarHBondContact O-OG1 3.19Å; T247-T263 VanDerWaalsContact C-OG1 3.3Å; T247-T263 WeakPolarHBondContact CA-OG1 3.22Å; T247-T263 PolarHBondContact O-N 3.28Å; T247-T263 PolarHBondContact O-OG1 2.84Å; T247-T263 VanDerWaalsContact O-OG1 3.11Å; L248-T263 WeakPolarHBondContact O-CG2 3.44Å; M249-T263 HydrophobicContact CB-CG2 4.2Å; M249-T263 HydrophobicContact CG-CG2 4.31Å
264	S	96.6	Very high	98.1	Very high	88 Å²	88	41.6 Å²	41.6	62%	0.615	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-46.7	179.9	55.8	0	0	0	0	112.6	K262	K262-S264 VanDerWaalsContact C-N 3.32Å
265	D	96.5	Very high	98	Very high	96 Å²	96	47.2 Å²	47.2	51%	0.513	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.6	-0.5	-172.5	65.8	8.2	0	0	0	114.2	K262 S267	K262-D265 WeakPolarHBondContact CB-OD1 3.49Å; D265-S267 PolarHBondContact O-N 2.87Å; D265-S267 VanDerWaalsContact OD1-CB 3.28Å; D265-S267 WeakPolarHBondContact OD1-CB 3.45Å; D265-S267 PolarHBondContact OD1-N 3.05Å; D265-S267 PolarHBondContact OD1-OG 3.19Å; D265-S267 PolarHBondContact OD2-OG 3.06Å
266	Y	97	Very high	97.7	Very high	16 Å²	16	51.7 Å²	51.7	6%	0.063	29%	0.292	C	S	.	.			trans	61.2	21.1	-179.5	-54.6	-83.1	0	0	0	114.5	L207 T209 K227 V228 M249 K262	L207-Y266 HydrophobicContact CD2-CD1 4.31Å; T209-Y266 HydrophobicContact CG2-CE1 3.67Å; T209-Y266 PolarHBondContact OG1-OH 3.09Å; K227-Y266 HydrophobicContact CD-CE2 4.39Å; K227-Y266 WeakPolarHBondContact CD-OH 3.31Å; K227-Y266 PolarHBondContact NZ-OH 2.86Å; V228-Y266 HydrophobicContact CB-CD2 4.18Å; V228-Y266 HydrophobicContact CB-CE2 3.91Å; V228-Y266 HydrophobicContact CG1-CD2 4.24Å; V228-Y266 HydrophobicContact CG1-CE2 4.44Å; V228-Y266 HydrophobicContact CG1-CG 4.28Å; V228-Y266 HydrophobicContact CG2-CD2 3.45Å; V228-Y266 VanDerWaalsContact CG2-CD2 3.45Å; V228-Y266 HydrophobicContact CG2-CE2 3.21Å; V228-Y266 HydrophobicContact CG2-CG 4.29Å; M249-Y266 HydrophobicContact SD-CD1 4.14Å; M249-Y266 HydrophobicContact SD-CE1 3.98Å; K262-Y266 WeakPolarHBondContact O-CA 3.5Å; K262-Y266 PolarHBondContact O-N 3.1Å
267	S	98	Very high	97.5	Very high	41 Å²	41	47.6 Å²	47.6	29%	0.287	27%	0.273	S	S	.	.			trans	-67.3	140.4	170	58.4	0	0	0	0	111.5	W261 K262 D265 V269	W261-S267 WeakPolarHBondContact CA-O 3.29Å; K262-S267 PolarHBondContact N-O 3.33Å; D265-S267 PolarHBondContact O-N 2.87Å; D265-S267 VanDerWaalsContact OD1-CB 3.28Å; D265-S267 WeakPolarHBondContact OD1-CB 3.45Å; D265-S267 PolarHBondContact OD1-N 3.05Å; D265-S267 PolarHBondContact OD1-OG 3.19Å; D265-S267 PolarHBondContact OD2-OG 3.06Å; S267-V269 PolarHBondContact O-N 2.94Å
268	E	98.4	Very high	97.5	Very high	93 Å²	93	51.2 Å²	51.2	44%	0.435	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	122.4	175.8	-167	177.4	97.4	0	0	109.4	K259 W261 V271	K259-E268 WeakPolarHBondContact CD-OE2 3.37Å; K259-E268 VanDerWaalsContact CE-OE2 3.28Å; K259-E268 WeakPolarHBondContact CE-OE2 3.35Å; K259-E268 IonicContact NZ-OE2 2.95Å; K259-E268 PolarHBondContact NZ-OE2 2.79Å; W261-E268 HydrophobicContact CE3-CB 3.93Å; W261-E268 HydrophobicContact CE3-CG 4.34Å; W261-E268 HydrophobicContact CH2-CG 4.43Å; W261-E268 HydrophobicContact CZ3-CB 3.75Å; W261-E268 HydrophobicContact CZ3-CG 4.11Å; E268-V271 HydrophobicContact CG-CG2 4.39Å; E268-V271 WeakPolarHBondContact OE1-CG2 3.45Å
269	V	98.3	Very high	97.5	Very high	51 Å²	51	56.3 Å²	56.3	31%	0.309	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-46.4	178.3	178.4	0	0	0	0	110.5	L248 V260 K262 S267	L248-V269 HydrophobicContact CD2-CG2 3.99Å; V260-V269 HydrophobicContact CB-CB 4.31Å; V260-V269 HydrophobicContact CG1-CB 4.24Å; V260-V269 PolarHBondContact O-N 3.45Å; K262-V269 HydrophobicContact CD-CG2 4.38Å; K262-V269 HydrophobicContact CG-CG2 3.47Å; K262-V269 VanDerWaalsContact CG-CG2 3.47Å; S267-V269 PolarHBondContact O-N 2.94Å
270	A	98.4	Very high	97.5	Very high	8 Å²	8	54.7 Å²	54.7	7%	0.066	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	152.3	-174	0	0	0	0	0	112.3	K259 V260 L272	K259-A270 WeakPolarHBondContact CA-O 3.3Å; V260-A270 HydrophobicContact CB-CB 4.16Å; V260-A270 HydrophobicContact CG2-CB 4.16Å; V260-A270 PolarHBondContact N-O 3.24Å; V260-A270 PolarHBondContact O-N 2.95Å; A270-L272 HydrophobicContact CB-CD2 4.23Å
271	V	98.5	Very high	97.4	Very high	53 Å²	53	57.3 Å²	57.3	32%	0.321	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	113.5	169.4	-176.9	0	0	0	0	108.4	K257 K259 E268 T273	K257-V271 HydrophobicContact CB-CG1 4.17Å; K257-V271 HydrophobicContact CD-CG1 3.73Å; K257-V271 HydrophobicContact CG-CG1 4.01Å; K259-V271 HydrophobicContact CG-CG2 4.33Å; E268-V271 HydrophobicContact CG-CG2 4.39Å; E268-V271 WeakPolarHBondContact OE1-CG2 3.45Å; V271-T273 HydrophobicContact CG1-CG2 4.43Å
272	L	98.7	Very high	97.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	106.1	-177.1	-48.8	179.9	0	0	0	109.6	A258 V260 A270 Q277 I292 W304	A258-L272 HydrophobicContact CB-CB 4.15Å; A258-L272 HydrophobicContact CB-CD1 4.3Å; A258-L272 PolarHBondContact N-O 2.87Å; A258-L272 PolarHBondContact O-N 3.31Å; V260-L272 HydrophobicContact CG2-CD1 3.9Å; V260-L272 HydrophobicContact CG2-CD2 4.46Å; V260-L272 HydrophobicContact CG2-CG 4.1Å; A270-L272 HydrophobicContact CB-CD2 4.23Å; L272-Q277 PolarHBondContact O-NE2 3.23Å; L272-I292 HydrophobicContact CD1-CB 4.38Å; L272-I292 HydrophobicContact CD1-CD1 4.07Å; L272-I292 HydrophobicContact CD1-CG2 4.32Å; L272-W304 HydrophobicContact CB-CD2 3.92Å; L272-W304 HydrophobicContact CB-CE3 4.02Å; L272-W304 HydrophobicContact CB-CG 4.34Å; L272-W304 HydrophobicContact CB-CH2 4.35Å; L272-W304 HydrophobicContact CB-CZ2 4.3Å; L272-W304 HydrophobicContact CB-CZ3 4.23Å; L272-W304 HydrophobicContact CD1-CB 3.89Å; L272-W304 HydrophobicContact CD1-CD2 4.31Å; L272-W304 HydrophobicContact CD1-CG 3.84Å; L272-W304 HydrophobicContact CD2-CB 4.02Å; L272-W304 HydrophobicContact CD2-CD2 4.25Å; L272-W304 HydrophobicContact CD2-CE3 4.08Å; L272-W304 HydrophobicContact CD2-CG 4.25Å; L272-W304 HydrophobicContact CG-CB 4.48Å; L272-W304 HydrophobicContact CG-CD2 4.38Å; L272-W304 HydrophobicContact CG-CG 4.37Å
273	T	98.3	Very high	97.5	Very high	60 Å²	60	52.6 Å²	52.6	37%	0.368	29%	0.287	S	S	.	.			trans	-156.2	151.4	-179.9	-165.3	0	0	0	0	111.4	Q256 V271	Q256-T273 PolarHBondContact O-OG1 3.42Å; Q256-T273 VanDerWaalsContact O-OG1 3.04Å; V271-T273 HydrophobicContact CG1-CG2 4.43Å
274	V	97.7	Very high	97.5	Very high	24 Å²	24	52.5 Å²	52.5	15%	0.145	29%	0.288	C	S	.	.			trans	-122.7	162.3	171.3	-59.6	0	0	0	0	110.7	S276 Q277 R302 W304 P311	V274-S276 PolarHBondContact O-N 2.91Å; V274-Q277 HydrophobicContact CG2-CB 3.88Å; V274-Q277 HydrophobicContact CG2-CG 4.44Å; V274-Q277 VanDerWaalsContact O-CB 3.24Å; V274-Q277 WeakPolarHBondContact O-CB 3.31Å; V274-Q277 PolarHBondContact O-N 2.96Å; V274-Q277 VanDerWaalsContact O-N 3.16Å; V274-R302 VanDerWaalsContact CG2-CZ 3.47Å; V274-W304 HydrophobicContact CG1-CH2 3.61Å; V274-W304 HydrophobicContact CG1-CZ2 4.47Å; V274-W304 HydrophobicContact CG1-CZ3 4.24Å; V274-P311 HydrophobicContact CG1-CG 3.49Å; V274-P311 VanDerWaalsContact CG1-CG 3.49Å
275	P	95.6	Very high	97.5	Very high	122 Å²	122	49.2 Å²	49.2	79%	0.792	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	136.1	171.4	-26	35.9	0	0	0	111.9	Q277	P275-Q277 PolarHBondContact O-N 2.88Å; P275-Q277 VanDerWaalsContact O-N 3.17Å
276	S	91.9	Very high	97.5	Very high	112 Å²	112	45.3 Å²	45.3	78%	0.783	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	16.2	-179	-54.3	0	0	0	0	115.6	V274	V274-S276 PolarHBondContact O-N 2.91Å
277	Q	94.2	Very high	97.4	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.009	26%	0.257	C	S	.	.			trans	-56.4	143.1	172.4	-171.1	157	-74.6	0	0	110.5	Q256 L272 V274 P275 V280	Q256-Q277 HydrophobicContact CB-CB 4.4Å; Q256-Q277 WeakPolarHBondContact CB-O 3.36Å; Q256-Q277 WeakPolarHBondContact CG-O 3.36Å; Q256-Q277 PolarHBondContact O-NE2 3.02Å; Q256-Q277 PolarHBondContact OE1-O 2.55Å; Q256-Q277 VanDerWaalsContact OE1-O 3.12Å; L272-Q277 PolarHBondContact O-NE2 3.23Å; V274-Q277 HydrophobicContact CG2-CB 3.88Å; V274-Q277 HydrophobicContact CG2-CG 4.44Å; V274-Q277 VanDerWaalsContact O-CB 3.24Å; V274-Q277 WeakPolarHBondContact O-CB 3.31Å; V274-Q277 PolarHBondContact O-N 2.96Å; V274-Q277 VanDerWaalsContact O-N 3.16Å; P275-Q277 PolarHBondContact O-N 2.88Å; P275-Q277 VanDerWaalsContact O-N 3.17Å; Q277-V280 HydrophobicContact CG-CG2 4.27Å; Q277-V280 VanDerWaalsContact NE2-CG2 3.28Å
278	R	97.9	Very high	97.2	Very high	158 Å²	158	49 Å²	49	60%	0.596	26%	0.26	S	S	*	.			trans	-106.3	-166.7	174.1	-64.8	-173.5	174.8	-118.9	0.1	109.7	Q256 V280 S297 D298	Q256-R278 WeakPolarHBondContact CA-O 3.49Å; R278-V280 PolarHBondContact O-N 2.95Å; R278-S297 VanDerWaalsContact CB-CB 3.47Å; R278-D298 HydrophobicContact CB-CB 4.29Å; R278-D298 HydrophobicContact CG-CB 4.2Å
279	W	98.5	Very high	97	Very high	106 Å²	106	44.9 Å²	44.9	40%	0.402	24%	0.241	S	C	.	.			trans	-49.7	135.2	178.9	-66.9	18.3	0	0	0	111.1	L238 A254 W281 S296 S297	L238-W279 HydrophobicContact CD1-CB 4.22Å; L238-W279 HydrophobicContact CD1-CE3 4.05Å; L238-W279 HydrophobicContact CD2-CE3 4.47Å; A254-W279 HydrophobicContact CB-CD2 3.53Å; A254-W279 HydrophobicContact CB-CE3 4Å; A254-W279 HydrophobicContact CB-CG 3.87Å; A254-W279 HydrophobicContact CB-CH2 4.2Å; A254-W279 HydrophobicContact CB-CZ2 3.75Å; A254-W279 HydrophobicContact CB-CZ3 4.31Å; W279-W281 HydrophobicContact CD2-CZ2 4.41Å; W279-W281 AromaticContact CE3-CH2 3.68Å; W279-W281 HydrophobicContact CE3-CH2 3.68Å; W279-W281 AromaticContact CE3-CZ2 3.52Å; W279-W281 HydrophobicContact CE3-CZ2 3.52Å; W279-W281 HydrophobicContact CE3-CZ3 4.37Å; W279-W281 AromaticContact CZ3-CH2 3.83Å; W279-W281 HydrophobicContact CZ3-CH2 3.83Å; W279-W281 HydrophobicContact CZ3-CZ2 4.09Å; W279-S296 CarbonylContact O-C 3.46Å; W279-S296 WeakPolarHBondContact O-CA 3.29Å; W279-S296 VanDerWaalsContact O-CB 3.23Å; W279-S296 WeakPolarHBondContact O-CB 3.44Å; W279-S297 PolarHBondContact O-N 2.82Å
280	V	98.7	Very high	97	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	108	176.7	-171.4	0	0	0	0	107.9	L238 T252 S253 A258 Q277 R278 T294 C295	L238-V280 VanDerWaalsContact CD1-O 3.23Å; L238-V280 WeakPolarHBondContact CD1-O 3.46Å; T252-V280 WeakPolarHBondContact CB-O 3.24Å; T252-V280 HydrophobicContact CG2-CG1 3.86Å; T252-V280 PolarHBondContact OG1-O 2.94Å; S253-V280 PolarHBondContact O-N 3.24Å; A258-V280 HydrophobicContact CB-CG1 4.26Å; Q277-V280 HydrophobicContact CG-CG2 4.27Å; Q277-V280 VanDerWaalsContact NE2-CG2 3.28Å; R278-V280 PolarHBondContact O-N 2.95Å; V280-T294 HydrophobicContact CG1-CG2 4.09Å; V280-C295 CarbonylContact C-O 3.6Å
281	W	98.6	Very high	97	Very high	55 Å²	55	49 Å²	49	21%	0.208	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-50.6	-164.9	-73.5	95.2	0	0	0	113.8	L238 T252 W279 C295 S297 T323	L238-W281 HydrophobicContact CD1-CD2 4.26Å; L238-W281 HydrophobicContact CD1-CE3 4.22Å; L238-W281 HydrophobicContact CD2-CE3 3.89Å; L238-W281 HydrophobicContact CD2-CZ3 3.89Å; T252-W281 PolarHBondContact OG1-O 3.06Å; W279-W281 HydrophobicContact CD2-CZ2 4.41Å; W279-W281 AromaticContact CE3-CH2 3.68Å; W279-W281 HydrophobicContact CE3-CH2 3.68Å; W279-W281 AromaticContact CE3-CZ2 3.52Å; W279-W281 HydrophobicContact CE3-CZ2 3.52Å; W279-W281 HydrophobicContact CE3-CZ3 4.37Å; W279-W281 AromaticContact CZ3-CH2 3.83Å; W279-W281 HydrophobicContact CZ3-CH2 3.83Å; W279-W281 HydrophobicContact CZ3-CZ2 4.09Å; W281-C295 PolarHBondContact N-O 3.39Å; W281-S297 PolarHBondContact NE1-OG 2.93Å; W281-T323 HydrophobicContact CD2-CG2 3.73Å; W281-T323 HydrophobicContact CE3-CG2 4.15Å; W281-T323 HydrophobicContact CG-CG2 3.95Å; W281-T323 HydrophobicContact CZ2-CG2 4.26Å
282	D	98.5	Very high	97	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	163	-173.7	-148.1	-7.4	0	0	0	110	K60 R239 T294 C295 L325	K60-D282 VanDerWaalsContact NZ-CG 3.33Å; K60-D282 IonicContact NZ-OD1 3.31Å; K60-D282 PolarHBondContact NZ-OD1 2.99Å; K60-D282 VanDerWaalsContact NZ-OD1 3.12Å; K60-D282 IonicContact NZ-OD2 2.8Å; K60-D282 PolarHBondContact NZ-OD2 2.99Å; R239-D282 WeakPolarHBondContact CD-OD1 3.48Å; R239-D282 WeakPolarHBondContact CG-OD1 3.41Å; R239-D282 IonicContact NE-OD1 3.06Å; D282-T294 WeakPolarHBondContact O-CA 3.14Å; D282-C295 VanDerWaalsContact CB-SG 3.53Å; D282-C295 PolarHBondContact O-N 2.87Å; D282-L325 HydrophobicContact CB-CB 4.13Å; D282-L325 PolarHBondContact OD2-N 2.78Å
283	C	98.5	Very high	97	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.014	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	157.6	178.2	56.5	0	0	0	0	111.8	V250 T252 I292 F293 T294	V250-C283 HydrophobicContact CG1-CB 4.1Å; V250-C283 VanDerWaalsContact CG1-SG 3.52Å; T252-C283 HydrophobicContact CG2-CB 3.72Å; C283-I292 HydrophobicContact CB-CG2 4.36Å; C283-F293 CarbonylContact C-O 3.54Å; C283-F293 WeakPolarHBondContact CA-O 3.4Å; C283-F293 WeakPolarHBondContact CB-O 3.24Å; C283-T294 HydrophobicContact CB-CG2 4.37Å
284	A	98.3	Very high	97	Very high	13 Å²	13	43.7 Å²	43.7	11%	0.107	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	144.1	171.3	0	0	0	0	0	110.4	I292 F293 L325 F327	A284-I292 CarbonylContact O-C 3.59Å; A284-I292 WeakPolarHBondContact O-CA 3.2Å; A284-F293 PolarHBondContact N-O 3.07Å; A284-F293 PolarHBondContact O-N 3.29Å; A284-L325 HydrophobicContact CB-CD2 3.49Å; A284-L325 VanDerWaalsContact CB-CD2 3.49Å; A284-F327 HydrophobicContact CB-CB 3.72Å
285	F	97.9	Very high	97	Very high	18 Å²	18	42.5 Å²	42.5	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	151.2	170.3	-78.2	-83.7	0	0	0	111	R241 P244 L248 V250 F291 I292 F327	R241-F285 HydrophobicContact CB-CD2 4.11Å; R241-F285 HydrophobicContact CB-CE2 4.1Å; P244-F285 HydrophobicContact CG-CB 4.36Å; L248-F285 HydrophobicContact CB-CE1 4.34Å; L248-F285 HydrophobicContact CB-CZ 4.23Å; V250-F285 HydrophobicContact CB-CE2 4.15Å; V250-F285 HydrophobicContact CB-CZ 3.99Å; V250-F285 HydrophobicContact CG1-CD2 4.29Å; V250-F285 HydrophobicContact CG1-CE2 3.55Å; V250-F285 HydrophobicContact CG1-CZ 3.88Å; F285-F291 WeakPolarHBondContact CA-O 3.45Å; F285-I292 HydrophobicContact CD1-CD1 4.25Å; F285-I292 HydrophobicContact CD1-CG1 3.51Å; F285-I292 HydrophobicContact CE1-CD1 3.56Å; F285-I292 HydrophobicContact CE1-CG1 3.36Å; F285-I292 HydrophobicContact CG-CG1 4.29Å; F285-I292 HydrophobicContact CZ-CD1 3.96Å; F285-I292 HydrophobicContact CZ-CG1 4.02Å; F285-F327 WeakPolarHBondContact O-CD1 3.07Å
286	T	96.3	Very high	97.2	Very high	14 Å²	14	36.7 Å²	36.7	9%	0.086	18%	0.178	C	C	.	.			trans	-71.5	155.8	159.9	52.4	0	0	0	0	110.8	D288 S289 F291 F293 F327	T286-D288 VanDerWaalsContact CB-OD1 3.26Å; T286-D288 WeakPolarHBondContact CB-OD1 3.29Å; T286-D288 PolarHBondContact O-N 2.77Å; T286-D288 PolarHBondContact OG1-OD1 2.84Å; T286-S289 PolarHBondContact O-N 2.87Å; T286-F291 HydrophobicContact CG2-CB 3.82Å; T286-F291 PolarHBondContact N-O 2.75Å; T286-F291 PolarHBondContact OG1-N 2.91Å; T286-F291 PolarHBondContact OG1-O 3.24Å; T286-F293 HydrophobicContact CG2-CD2 4.43Å; T286-F293 HydrophobicContact CG2-CE2 3.84Å; T286-F327 HydrophobicContact CG2-CE1 4.09Å; T286-F327 HydrophobicContact CG2-CZ 4.06Å
287	L	93.4	Very high	97.5	Very high	70 Å²	70	32.7 Å²	32.7	37%	0.366	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-29.1	-174.9	-175.7	62.6	0	0	0	113.1	P244 S289 D329 R331	P244-L287 HydrophobicContact CB-CD1 4.35Å; L287-S289 PolarHBondContact O-N 3.32Å; L287-D329 HydrophobicContact CB-CB 4Å; L287-R331 HydrophobicContact CD2-CG 4.08Å
288	D	93.8	Very high	97.6	Very high	66 Å²	66	33.7 Å²	33.7	35%	0.353	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	0	174.9	66.2	-2.7	0	0	0	114	T286 Q290	T286-D288 VanDerWaalsContact CB-OD1 3.26Å; T286-D288 WeakPolarHBondContact CB-OD1 3.29Å; T286-D288 PolarHBondContact O-N 2.77Å; T286-D288 PolarHBondContact OG1-OD1 2.84Å; D288-Q290 HydrophobicContact CB-CG 4.12Å; D288-Q290 PolarHBondContact O-N 3.41Å; D288-Q290 VanDerWaalsContact O-N 3.12Å; D288-Q290 PolarHBondContact O-NE2 2.77Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.37Å; D288-Q290 PolarHBondContact OD1-N 3.12Å
289	S	96	Very high	97.6	Very high	5 Å²	5	28.6 Å²	28.6	4%	0.035	14%	0.139	C	C	.	.	S	Bend	trans	58.1	18.8	-177.4	-52.1	0	0	0	0	114.4	P244 D245 T286 L287 C306	P244-S289 VanDerWaalsContact CD-OG 3.28Å; P244-S289 WeakPolarHBondContact CD-OG 3.31Å; D245-S289 PolarHBondContact N-OG 3.16Å; D245-S289 PolarHBondContact OD1-OG 3.17Å; T286-S289 PolarHBondContact O-N 2.87Å; L287-S289 PolarHBondContact O-N 3.32Å; S289-C306 PolarHBondContact O-SG 2.62Å
290	Q	96.8	Very high	97.6	Very high	99 Å²	99	26.3 Å²	26.3	46%	0.463	13%	0.133	S	C	.	.	S	Bend	trans	-91.7	-26.3	-178.1	-63.8	-55.7	-51.5	0	0	113.7	D288 C306	D288-Q290 HydrophobicContact CB-CG 4.12Å; D288-Q290 PolarHBondContact O-N 3.41Å; D288-Q290 VanDerWaalsContact O-N 3.12Å; D288-Q290 PolarHBondContact O-NE2 2.77Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.37Å; D288-Q290 PolarHBondContact OD1-N 3.12Å; Q290-C306 PolarHBondContact O-N 2.89Å; Q290-C306 PolarHBondContact O-SG 2.94Å; Q290-C306 VanDerWaalsContact O-SG 3.36Å
291	F	98	Very high	97.6	Very high	46 Å²	46	26.3 Å²	26.3	20%	0.202	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.3	-176.4	-55	-91.8	0	0	0	112.9	F285 T286 L303 W304 R305 V312	F285-F291 WeakPolarHBondContact CA-O 3.45Å; T286-F291 HydrophobicContact CG2-CB 3.82Å; T286-F291 PolarHBondContact N-O 2.75Å; T286-F291 PolarHBondContact OG1-N 2.91Å; T286-F291 PolarHBondContact OG1-O 3.24Å; F291-L303 HydrophobicContact CB-CD1 3.51Å; F291-L303 HydrophobicContact CB-CG 4.28Å; F291-L303 HydrophobicContact CD1-CD1 4.39Å; F291-L303 HydrophobicContact CD1-CD2 4.43Å; F291-L303 HydrophobicContact CD1-CG 4.25Å; F291-L303 HydrophobicContact CG-CD1 4.21Å; F291-W304 CarbonylContact C-O 3.52Å; F291-W304 WeakPolarHBondContact CA-O 3.07Å; F291-W304 VanDerWaalsContact CB-O 3.26Å; F291-W304 WeakPolarHBondContact CB-O 3.26Å; F291-W304 WeakPolarHBondContact CD1-O 3.2Å; F291-R305 HydrophobicContact CD1-CG 4.03Å; F291-R305 HydrophobicContact CE1-CG 3.71Å; F291-V312 HydrophobicContact CD1-CG2 4.28Å; F291-V312 HydrophobicContact CE1-CG2 4.07Å
292	I	98.6	Very high	97.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.8	176.4	-65.8	160.4	0	0	0	108.2	V250 V260 L272 C283 A284 F285 T294 L303 W304	V250-I292 HydrophobicContact CB-CD1 4.12Å; V250-I292 HydrophobicContact CG1-CG2 4.48Å; V250-I292 HydrophobicContact CG2-CD1 4.21Å; V250-I292 HydrophobicContact CG2-CG2 4.36Å; V260-I292 HydrophobicContact CG1-CD1 4.32Å; V260-I292 HydrophobicContact CG2-CD1 3.5Å; V260-I292 VanDerWaalsContact CG2-CD1 3.5Å; L272-I292 HydrophobicContact CD1-CB 4.38Å; L272-I292 HydrophobicContact CD1-CD1 4.07Å; L272-I292 HydrophobicContact CD1-CG2 4.32Å; C283-I292 HydrophobicContact CB-CG2 4.36Å; A284-I292 CarbonylContact O-C 3.59Å; A284-I292 WeakPolarHBondContact O-CA 3.2Å; F285-I292 HydrophobicContact CD1-CD1 4.25Å; F285-I292 HydrophobicContact CD1-CG1 3.51Å; F285-I292 HydrophobicContact CE1-CD1 3.56Å; F285-I292 HydrophobicContact CE1-CG1 3.36Å; F285-I292 HydrophobicContact CG-CG1 4.29Å; F285-I292 HydrophobicContact CZ-CD1 3.96Å; F285-I292 HydrophobicContact CZ-CG1 4.02Å; I292-T294 HydrophobicContact CG2-CG2 3.97Å; I292-L303 WeakPolarHBondContact O-CA 3.39Å; I292-W304 PolarHBondContact N-O 3.36Å; I292-W304 VanDerWaalsContact O-CD1 3.29Å; I292-W304 PolarHBondContact O-N 3.04Å
293	F	98.7	Very high	97.6	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	139.6	162.1	-69.8	-81.1	0	0	0	110.3	L28 I42 C283 A284 T286 R302 L303 Y315 L325 F327	L28-F293 HydrophobicContact CD1-CD1 4.04Å; L28-F293 HydrophobicContact CD1-CD2 4.49Å; L28-F293 HydrophobicContact CD1-CE1 4.23Å; L28-F293 HydrophobicContact CD1-CG 4.17Å; L28-F293 HydrophobicContact CD2-CD1 3.85Å; L28-F293 HydrophobicContact CD2-CE1 3.44Å; L28-F293 VanDerWaalsContact CD2-CE1 3.44Å; L28-F293 HydrophobicContact CD2-CZ 4.05Å; L28-F293 HydrophobicContact CG-CE1 4.43Å; I42-F293 HydrophobicContact CG1-CZ 4.24Å; I42-F293 HydrophobicContact CG2-CZ 4.04Å; C283-F293 CarbonylContact C-O 3.54Å; C283-F293 WeakPolarHBondContact CA-O 3.4Å; C283-F293 WeakPolarHBondContact CB-O 3.24Å; A284-F293 PolarHBondContact N-O 3.07Å; A284-F293 PolarHBondContact O-N 3.29Å; T286-F293 HydrophobicContact CG2-CD2 4.43Å; T286-F293 HydrophobicContact CG2-CE2 3.84Å; F293-R302 CarbonylContact C-O 3.57Å; F293-R302 VanDerWaalsContact CA-O 3.29Å; F293-R302 WeakPolarHBondContact CA-O 3.28Å; F293-L303 HydrophobicContact CD1-CB 4.21Å; F293-L303 HydrophobicContact CD1-CD1 3.86Å; F293-L303 HydrophobicContact CD2-CD1 4.07Å; F293-L303 HydrophobicContact CE1-CB 4.02Å; F293-L303 HydrophobicContact CE1-CD1 3.63Å; F293-L303 HydrophobicContact CE1-CD2 4.46Å; F293-L303 HydrophobicContact CE1-CG 4.25Å; F293-L303 HydrophobicContact CE2-CD1 3.84Å; F293-L303 HydrophobicContact CG-CD1 4.08Å; F293-L303 HydrophobicContact CZ-CD1 3.62Å; F293-L303 HydrophobicContact CZ-CD2 4.46Å; F293-L303 HydrophobicContact CZ-CG 4.49Å; F293-Y315 HydrophobicContact CD1-CE2 4.31Å; F293-Y315 AromaticContact CE1-CE2 3.98Å; F293-Y315 HydrophobicContact CE1-CE2 3.98Å; F293-Y315 AromaticContact CE1-CZ 3.83Å; F293-Y315 WeakPolarHBondContact CE1-OH 3.36Å; F293-L325 HydrophobicContact CB-CD1 3.68Å; F293-L325 HydrophobicContact CB-CD2 4.03Å; F293-F327 HydrophobicContact CD2-CB 4.39Å; F293-F327 HydrophobicContact CD2-CD1 4.43Å; F293-F327 AromaticContact CD2-CD2 3.88Å; F293-F327 HydrophobicContact CD2-CD2 3.88Å; F293-F327 HydrophobicContact CD2-CE2 4.29Å; F293-F327 AromaticContact CD2-CG 3.95Å; F293-F327 HydrophobicContact CD2-CG 3.95Å; F293-F327 HydrophobicContact CE2-CD1 4.35Å; F293-F327 AromaticContact CE2-CD2 3.45Å; F293-F327 HydrophobicContact CE2-CD2 3.45Å; F293-F327 VanDerWaalsContact CE2-CD2 3.45Å; F293-F327 HydrophobicContact CE2-CE1 4.37Å; F293-F327 AromaticContact CE2-CE2 3.43Å; F293-F327 HydrophobicContact CE2-CE2 3.43Å; F293-F327 VanDerWaalsContact CE2-CE2 3.43Å; F293-F327 AromaticContact CE2-CG 3.92Å; F293-F327 HydrophobicContact CE2-CG 3.92Å; F293-F327 AromaticContact CE2-CZ 3.92Å; F293-F327 HydrophobicContact CE2-CZ 3.92Å; F293-F327 HydrophobicContact CZ-CD2 4.13Å; F293-F327 AromaticContact CZ-CE2 3.99Å; F293-F327 HydrophobicContact CZ-CE2 3.99Å
294	T	98.8	Very high	97.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	154.8	167.3	67.8	0	0	0	0	110.9	A258 V280 D282 C283 I292 L301 R302 W304	A258-T294 HydrophobicContact CB-CG2 4.06Å; V280-T294 HydrophobicContact CG1-CG2 4.09Å; D282-T294 WeakPolarHBondContact O-CA 3.14Å; C283-T294 HydrophobicContact CB-CG2 4.37Å; I292-T294 HydrophobicContact CG2-CG2 3.97Å; T294-L301 CarbonylContact O-C 3.54Å; T294-L301 WeakPolarHBondContact O-CA 3.46Å; T294-L301 WeakPolarHBondContact O-CB 3.37Å; T294-R302 PolarHBondContact N-O 2.82Å; T294-R302 PolarHBondContact O-N 2.99Å; T294-W304 PolarHBondContact OG1-NE1 2.95Å
295	C	98.6	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.3	169.5	69.2	0	0	0	0	111.3	V280 W281 D282 L301 V322 L325	V280-C295 CarbonylContact C-O 3.6Å; W281-C295 PolarHBondContact N-O 3.39Å; D282-C295 VanDerWaalsContact CB-SG 3.53Å; D282-C295 PolarHBondContact O-N 2.87Å; C295-L301 HydrophobicContact CB-CG 4.01Å; C295-V322 HydrophobicContact CB-CB 3.91Å; C295-V322 HydrophobicContact CB-CG1 3.59Å; C295-L325 HydrophobicContact CB-CD1 4.25Å
296	S	98.5	Very high	97.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	162.7	-168.6	40.6	0	0	0	0	115.4	W279 D298 N299 F300 R302 V322	W279-S296 CarbonylContact O-C 3.46Å; W279-S296 WeakPolarHBondContact O-CA 3.29Å; W279-S296 VanDerWaalsContact O-CB 3.23Å; W279-S296 WeakPolarHBondContact O-CB 3.44Å; S296-D298 WeakPolarHBondContact CB-OD1 3.46Å; S296-D298 PolarHBondContact O-N 3.04Å; S296-D298 VanDerWaalsContact O-N 3.16Å; S296-D298 PolarHBondContact OG-OD1 3.31Å; S296-N299 PolarHBondContact O-N 2.76Å; S296-F300 PolarHBondContact N-O 3.43Å; S296-F300 VanDerWaalsContact N-O 3.09Å; S296-F300 PolarHBondContact OG-O 2.81Å; S296-R302 PolarHBondContact OG-NH1 2.92Å; S296-V322 PolarHBondContact O-N 3.34Å; S296-V322 VanDerWaalsContact O-N 3.08Å
297	S	98.2	Very high	97.6	Very high	27 Å²	27	36.3 Å²	36.3	19%	0.189	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-7.4	176.9	-86.7	0	0	0	0	114.9	R278 W279 W281 N299	R278-S297 VanDerWaalsContact CB-CB 3.47Å; W279-S297 PolarHBondContact O-N 2.82Å; W281-S297 PolarHBondContact NE1-OG 2.93Å; S297-N299 VanDerWaalsContact C-N 3.27Å
298	D	97.5	Very high	97.8	Very high	24 Å²	24	33.6 Å²	33.6	13%	0.128	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	6.6	174.8	63.2	-1.4	0	0	0	112.9	R278 S296 F300 R302	R278-D298 HydrophobicContact CB-CB 4.29Å; R278-D298 HydrophobicContact CG-CB 4.2Å; S296-D298 WeakPolarHBondContact CB-OD1 3.46Å; S296-D298 PolarHBondContact O-N 3.04Å; S296-D298 VanDerWaalsContact O-N 3.16Å; S296-D298 PolarHBondContact OG-OD1 3.31Å; D298-F300 HydrophobicContact CB-CD2 4.35Å; D298-F300 WeakPolarHBondContact O-CD2 3.39Å; D298-F300 WeakPolarHBondContact O-CE2 3.36Å; D298-F300 PolarHBondContact OD1-N 2.87Å; D298-R302 IonicContact OD1-NH1 3.29Å; D298-R302 PolarHBondContact OD1-NH1 3.08Å; D298-R302 IonicContact OD2-CZ 2.77Å; D298-R302 IonicContact OD2-NH1 2.77Å; D298-R302 PolarHBondContact OD2-NH1 2.55Å; D298-R302 IonicContact OD2-NH2 3.13Å; D298-R302 PolarHBondContact OD2-NH2 3.01Å
299	N	97.5	Very high	97.9	Very high	50 Å²	50	33 Å²	33	27%	0.267	17%	0.172	S	C	.	.	S	Bend	trans	80.9	8.1	176.7	-42.5	-17.5	0	0	0	115.2	S296 S297 H318 Q319 R320 A321	S296-N299 PolarHBondContact O-N 2.76Å; S297-N299 VanDerWaalsContact C-N 3.27Å; N299-H318 HydrophobicContact CB-CB 4.46Å; N299-Q319 VanDerWaalsContact ND2-C 3.33Å; N299-Q319 PolarHBondContact ND2-O 3.24Å; N299-R320 VanDerWaalsContact CG-C 3.47Å; N299-R320 WeakPolarHBondContact OD1-CA 3.26Å; N299-R320 PolarHBondContact OD1-O 3.43Å; N299-R320 VanDerWaalsContact OD1-O 3.11Å; N299-A321 PolarHBondContact OD1-N 3.01Å; N299-A321 VanDerWaalsContact OD1-N 3.1Å
300	F	97.9	Very high	98	Very high	59 Å²	59	38 Å²	38	26%	0.259	20%	0.204	S	C	.	.			trans	-101.5	151.1	-179.6	-70.9	-101.1	0	0	0	111.9	S296 D298 R302 E314 T316	S296-F300 PolarHBondContact N-O 3.43Å; S296-F300 VanDerWaalsContact N-O 3.09Å; S296-F300 PolarHBondContact OG-O 2.81Å; D298-F300 HydrophobicContact CB-CD2 4.35Å; D298-F300 WeakPolarHBondContact O-CD2 3.39Å; D298-F300 WeakPolarHBondContact O-CE2 3.36Å; D298-F300 PolarHBondContact OD1-N 2.87Å; F300-R302 HydrophobicContact CB-CG 4.47Å; F300-E314 HydrophobicContact CD1-CB 4.08Å; F300-E314 HydrophobicContact CE1-CB 4.45Å; F300-T316 HydrophobicContact CD1-CG2 3.76Å; F300-T316 HydrophobicContact CE1-CG2 3.25Å; F300-T316 HydrophobicContact CZ-CG2 4.01Å
301	L	98.5	Very high	98	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	153.4	148.9	-59.7	71.2	0	0	0	108.5	L28 W40 T294 C295 Y315 V322 L325	L28-L301 HydrophobicContact CD1-CD2 4.33Å; W40-L301 HydrophobicContact CZ2-CD1 4.08Å; T294-L301 CarbonylContact O-C 3.54Å; T294-L301 WeakPolarHBondContact O-CA 3.46Å; T294-L301 WeakPolarHBondContact O-CB 3.37Å; C295-L301 HydrophobicContact CB-CG 4.01Å; L301-Y315 HydrophobicContact CB-CD2 3.92Å; L301-Y315 HydrophobicContact CB-CG 4.19Å; L301-Y315 PolarHBondContact N-O 3.36Å; L301-Y315 WeakPolarHBondContact O-CD2 3.35Å; L301-Y315 PolarHBondContact O-N 2.97Å; L301-V322 HydrophobicContact CD1-CG1 4.01Å; L301-V322 HydrophobicContact CD1-CG2 4.2Å; L301-V322 HydrophobicContact CG-CG1 4.47Å; L301-L325 HydrophobicContact CD2-CD1 3.63Å; L301-L325 HydrophobicContact CD2-CG 4.37Å; L301-L325 HydrophobicContact CG-CD1 4.32Å
302	R	98.4	Very high	98	Very high	9 Å²	9	35 Å²	35	3%	0.034	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140.5	178.3	-66	-174.9	175.5	88.9	4.7	110.6	V274 F293 T294 S296 D298 F300 W304 P311 Y313 E314	V274-R302 VanDerWaalsContact CG2-CZ 3.47Å; F293-R302 CarbonylContact C-O 3.57Å; F293-R302 VanDerWaalsContact CA-O 3.29Å; F293-R302 WeakPolarHBondContact CA-O 3.28Å; T294-R302 PolarHBondContact N-O 2.82Å; T294-R302 PolarHBondContact O-N 2.99Å; S296-R302 PolarHBondContact OG-NH1 2.92Å; D298-R302 IonicContact OD1-NH1 3.29Å; D298-R302 PolarHBondContact OD1-NH1 3.08Å; D298-R302 IonicContact OD2-CZ 2.77Å; D298-R302 IonicContact OD2-NH1 2.77Å; D298-R302 PolarHBondContact OD2-NH1 2.55Å; D298-R302 IonicContact OD2-NH2 3.13Å; D298-R302 PolarHBondContact OD2-NH2 3.01Å; F300-R302 HydrophobicContact CB-CG 4.47Å; R302-W304 HydrophobicContact CB-CD2 4.48Å; R302-W304 HydrophobicContact CB-CZ2 3.81Å; R302-W304 VanDerWaalsContact CB-NE1 3.27Å; R302-W304 HydrophobicContact CG-CZ2 4.22Å; R302-P311 HydrophobicContact CB-CB 4.36Å; R302-P311 HydrophobicContact CG-CB 4.47Å; R302-P311 HydrophobicContact CG-CG 4.46Å; R302-Y313 WeakPolarHBondContact CA-O 3.46Å; R302-E314 HydrophobicContact CG-CG 4.22Å; R302-E314 IonicContact CZ-OE1 3.89Å; R302-E314 IonicContact NE-OE1 3.68Å; R302-E314 PolarHBondContact NE-OE1 3.11Å; R302-E314 IonicContact NH2-OE1 3.41Å; R302-E314 PolarHBondContact NH2-OE1 2.77Å
303	L	98.5	Very high	98	Very high	9 Å²	9	38.7 Å²	38.7	5%	0.047	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.9	168.5	-178.8	64.3	0	0	0	108.7	I42 F291 I292 F293 P311 V312 Y313 Y315	I42-L303 HydrophobicContact CG2-CD2 4.47Å; F291-L303 HydrophobicContact CB-CD1 3.51Å; F291-L303 HydrophobicContact CB-CG 4.28Å; F291-L303 HydrophobicContact CD1-CD1 4.39Å; F291-L303 HydrophobicContact CD1-CD2 4.43Å; F291-L303 HydrophobicContact CD1-CG 4.25Å; F291-L303 HydrophobicContact CG-CD1 4.21Å; I292-L303 WeakPolarHBondContact O-CA 3.39Å; F293-L303 HydrophobicContact CD1-CB 4.21Å; F293-L303 HydrophobicContact CD1-CD1 3.86Å; F293-L303 HydrophobicContact CD2-CD1 4.07Å; F293-L303 HydrophobicContact CE1-CB 4.02Å; F293-L303 HydrophobicContact CE1-CD1 3.63Å; F293-L303 HydrophobicContact CE1-CD2 4.46Å; F293-L303 HydrophobicContact CE1-CG 4.25Å; F293-L303 HydrophobicContact CE2-CD1 3.84Å; F293-L303 HydrophobicContact CG-CD1 4.08Å; F293-L303 HydrophobicContact CZ-CD1 3.62Å; F293-L303 HydrophobicContact CZ-CD2 4.46Å; F293-L303 HydrophobicContact CZ-CG 4.49Å; L303-P311 CarbonylContact O-C 3.52Å; L303-P311 WeakPolarHBondContact O-CA 3.28Å; L303-V312 HydrophobicContact CD2-CB 4.38Å; L303-V312 HydrophobicContact CD2-CG1 4.42Å; L303-V312 HydrophobicContact CG-CB 4.37Å; L303-V312 PolarHBondContact O-N 3.05Å; L303-Y313 HydrophobicContact CD2-CD2 3.84Å; L303-Y313 HydrophobicContact CD2-CE2 4.48Å; L303-Y313 PolarHBondContact N-O 3.23Å; L303-Y315 HydrophobicContact CB-CE2 4.05Å
304	W	98.6	Very high	97.9	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151	-177	-50.3	86.9	0	0	0	110	L272 V274 F291 I292 T294 R302 P311	L272-W304 HydrophobicContact CB-CD2 3.92Å; L272-W304 HydrophobicContact CB-CE3 4.02Å; L272-W304 HydrophobicContact CB-CG 4.34Å; L272-W304 HydrophobicContact CB-CH2 4.35Å; L272-W304 HydrophobicContact CB-CZ2 4.3Å; L272-W304 HydrophobicContact CB-CZ3 4.23Å; L272-W304 HydrophobicContact CD1-CB 3.89Å; L272-W304 HydrophobicContact CD1-CD2 4.31Å; L272-W304 HydrophobicContact CD1-CG 3.84Å; L272-W304 HydrophobicContact CD2-CB 4.02Å; L272-W304 HydrophobicContact CD2-CD2 4.25Å; L272-W304 HydrophobicContact CD2-CE3 4.08Å; L272-W304 HydrophobicContact CD2-CG 4.25Å; L272-W304 HydrophobicContact CG-CB 4.48Å; L272-W304 HydrophobicContact CG-CD2 4.38Å; L272-W304 HydrophobicContact CG-CG 4.37Å; V274-W304 HydrophobicContact CG1-CH2 3.61Å; V274-W304 HydrophobicContact CG1-CZ2 4.47Å; V274-W304 HydrophobicContact CG1-CZ3 4.24Å; F291-W304 CarbonylContact C-O 3.52Å; F291-W304 WeakPolarHBondContact CA-O 3.07Å; F291-W304 VanDerWaalsContact CB-O 3.26Å; F291-W304 WeakPolarHBondContact CB-O 3.26Å; F291-W304 WeakPolarHBondContact CD1-O 3.2Å; I292-W304 PolarHBondContact N-O 3.36Å; I292-W304 VanDerWaalsContact O-CD1 3.29Å; I292-W304 PolarHBondContact O-N 3.04Å; T294-W304 PolarHBondContact OG1-NE1 2.95Å; R302-W304 HydrophobicContact CB-CD2 4.48Å; R302-W304 HydrophobicContact CB-CZ2 3.81Å; R302-W304 VanDerWaalsContact CB-NE1 3.27Å; R302-W304 HydrophobicContact CG-CZ2 4.22Å; W304-P311 HydrophobicContact CD2-CG 4.47Å; W304-P311 HydrophobicContact CE3-CB 4.37Å; W304-P311 HydrophobicContact CE3-CG 3.98Å; W304-P311 HydrophobicContact CH2-CG 3.66Å; W304-P311 HydrophobicContact CZ2-CG 4.13Å; W304-P311 HydrophobicContact CZ3-CB 4.42Å; W304-P311 HydrophobicContact CZ3-CG 3.56Å
305	R	98.5	Very high	97.9	Very high	131 Å²	131	42.6 Å²	42.6	49%	0.494	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	142.9	161.2	-67	178.2	179.7	-86	-1.5	108.8	F291 E307 G308 V312	F291-R305 HydrophobicContact CD1-CG 4.03Å; F291-R305 HydrophobicContact CE1-CG 3.71Å; R305-E307 PolarHBondContact O-N 3Å; R305-G308 PolarHBondContact O-N 3.36Å; R305-V312 HydrophobicContact CG-CG2 3.93Å
306	C	98.2	Very high	97.8	Very high	6 Å²	6	46.8 Å²	46.8	4%	0.041	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.6	176.6	-72.1	0	0	0	0	113	L248 S289 Q290 G308	L248-C306 HydrophobicContact CD1-CB 3.65Å; S289-C306 PolarHBondContact O-SG 2.62Å; Q290-C306 PolarHBondContact O-N 2.89Å; Q290-C306 PolarHBondContact O-SG 2.94Å; Q290-C306 VanDerWaalsContact O-SG 3.36Å; C306-G308 PolarHBondContact O-N 3.25Å
307	E	97	Very high	97.7	Very high	158 Å²	158	48.6 Å²	48.6	74%	0.738	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-6.3	176.4	-59.3	178.8	161	0	0	113.5	R305	R305-E307 PolarHBondContact O-N 3Å
308	G	96.5	Very high	97.7	Very high	13 Å²	13	47.9 Å²	47.9	13%	0.134	27%	0.267	C	S	.	.			trans	92.8	-153.7	-177.4	0	0	0	0	0	113.7	R305 C306	R305-G308 PolarHBondContact O-N 3.36Å; C306-G308 PolarHBondContact O-N 3.25Å
309	G	96.6	Very high	97.6	Very high	54 Å²	54	54.7 Å²	54.7	56%	0.557	30%	0.298	S	S	*	.	S	Bend	trans	87.5	-173.6	-170.6	0	0	0	0	0	113.3
310	P	97.5	Very high	97.6	Very high	109 Å²	109	58.8 Å²	58.8	71%	0.708	31%	0.31	S	S	*	.	S	Bend	trans	-67.7	159.2	178.5	29.7	-34.8	0	0	0	111.5	V312	P310-V312 PolarHBondContact O-N 2.76Å
311	P	98	Very high	97.6	Very high	31 Å²	31	56.7 Å²	56.7	20%	0.201	30%	0.304	C	S	.	.			trans	-54.4	134.4	172	-21	30.6	0	0	0	111.2	V274 R302 L303 W304 E314	V274-P311 HydrophobicContact CG1-CG 3.49Å; V274-P311 VanDerWaalsContact CG1-CG 3.49Å; R302-P311 HydrophobicContact CB-CB 4.36Å; R302-P311 HydrophobicContact CG-CB 4.47Å; R302-P311 HydrophobicContact CG-CG 4.46Å; L303-P311 CarbonylContact O-C 3.52Å; L303-P311 WeakPolarHBondContact O-CA 3.28Å; W304-P311 HydrophobicContact CD2-CG 4.47Å; W304-P311 HydrophobicContact CE3-CB 4.37Å; W304-P311 HydrophobicContact CE3-CG 3.98Å; W304-P311 HydrophobicContact CH2-CG 3.66Å; W304-P311 HydrophobicContact CZ2-CG 4.13Å; W304-P311 HydrophobicContact CZ3-CB 4.42Å; W304-P311 HydrophobicContact CZ3-CG 3.56Å; P311-E314 HydrophobicContact CB-CG 4.08Å; P311-E314 HydrophobicContact CG-CG 4.44Å
312	V	97.9	Very high	97.6	Very high	52 Å²	52	56.7 Å²	56.7	32%	0.315	30%	0.304	S	S	.	.	S	Bend	trans	-69.6	-42.7	171.5	-179.4	0	0	0	0	109.8	F291 L303 R305 P310	F291-V312 HydrophobicContact CD1-CG2 4.28Å; F291-V312 HydrophobicContact CE1-CG2 4.07Å; L303-V312 HydrophobicContact CD2-CB 4.38Å; L303-V312 HydrophobicContact CD2-CG1 4.42Å; L303-V312 HydrophobicContact CG-CB 4.37Å; L303-V312 PolarHBondContact O-N 3.05Å; R305-V312 HydrophobicContact CG-CG2 3.93Å; P310-V312 PolarHBondContact O-N 2.76Å
313	Y	98.1	Very high	97.6	Very high	78 Å²	78	57 Å²	57	31%	0.306	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	148.4	174.6	-67.2	-53	0	0	0	111.2	I42 S43 P45 R302 L303	I42-Y313 WeakPolarHBondContact O-CD2 3.37Å; S43-Y313 PolarHBondContact OG-OH 3.37Å; P45-Y313 HydrophobicContact CB-CD1 4.41Å; P45-Y313 HydrophobicContact CB-CG 4.19Å; P45-Y313 HydrophobicContact CG-CD1 3.71Å; P45-Y313 HydrophobicContact CG-CE1 4.47Å; P45-Y313 HydrophobicContact CG-CG 3.99Å; R302-Y313 WeakPolarHBondContact CA-O 3.46Å; L303-Y313 HydrophobicContact CD2-CD2 3.84Å; L303-Y313 HydrophobicContact CD2-CE2 4.48Å; L303-Y313 PolarHBondContact N-O 3.23Å
314	E	97.7	Very high	97.6	Very high	84 Å²	84	56.5 Å²	56.5	39%	0.393	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.9	167.7	-61.5	-162.5	126.5	0	0	108.9	F300 R302 P311	F300-E314 HydrophobicContact CD1-CB 4.08Å; F300-E314 HydrophobicContact CE1-CB 4.45Å; R302-E314 HydrophobicContact CG-CG 4.22Å; R302-E314 IonicContact CZ-OE1 3.89Å; R302-E314 IonicContact NE-OE1 3.68Å; R302-E314 PolarHBondContact NE-OE1 3.11Å; R302-E314 IonicContact NH2-OE1 3.41Å; R302-E314 PolarHBondContact NH2-OE1 2.77Å; P311-E314 HydrophobicContact CB-CG 4.08Å; P311-E314 HydrophobicContact CG-CG 4.44Å
315	Y	98.3	Very high	97.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.9	-178.2	-55.6	-104.5	0	0	0	108.7	L28 W40 N41 I42 P45 F293 L301 L303	L28-Y315 HydrophobicContact CD2-CD1 4.19Å; L28-Y315 HydrophobicContact CD2-CE1 3.77Å; L28-Y315 HydrophobicContact CD2-CE2 4.45Å; W40-Y315 HydrophobicContact CB-CD1 4.1Å; W40-Y315 HydrophobicContact CB-CE1 4.38Å; W40-Y315 HydrophobicContact CD2-CD1 4.23Å; W40-Y315 AromaticContact CE3-CD1 3.99Å; W40-Y315 HydrophobicContact CE3-CD1 3.99Å; W40-Y315 HydrophobicContact CE3-CG 4.44Å; W40-Y315 HydrophobicContact CG-CD1 4.29Å; N41-Y315 VanDerWaalsContact O-CE1 3.31Å; N41-Y315 WeakPolarHBondContact O-CE1 3.38Å; I42-Y315 PolarHBondContact O-OH 3.15Å; P45-Y315 HydrophobicContact CB-CD1 3.48Å; P45-Y315 VanDerWaalsContact CB-CD1 3.48Å; P45-Y315 HydrophobicContact CB-CD2 4.4Å; P45-Y315 HydrophobicContact CB-CE1 3.45Å; P45-Y315 VanDerWaalsContact CB-CE1 3.45Å; P45-Y315 HydrophobicContact CB-CE2 4.36Å; P45-Y315 HydrophobicContact CB-CG 3.97Å; F293-Y315 HydrophobicContact CD1-CE2 4.31Å; F293-Y315 AromaticContact CE1-CE2 3.98Å; F293-Y315 HydrophobicContact CE1-CE2 3.98Å; F293-Y315 AromaticContact CE1-CZ 3.83Å; F293-Y315 WeakPolarHBondContact CE1-OH 3.36Å; L301-Y315 HydrophobicContact CB-CD2 3.92Å; L301-Y315 HydrophobicContact CB-CG 4.19Å; L301-Y315 PolarHBondContact N-O 3.36Å; L301-Y315 WeakPolarHBondContact O-CD2 3.35Å; L301-Y315 PolarHBondContact O-N 2.97Å; L303-Y315 HydrophobicContact CB-CE2 4.05Å
316	T	96.5	Very high	97.5	Very high	87 Å²	87	50.7 Å²	50.7	53%	0.534	28%	0.283	S	S	.	.			trans	-111.4	140.8	-176.8	56.4	0	0	0	0	111.2	W40 F300	W40-T316 WeakPolarHBondContact CH2-O 3.31Å; W40-T316 VanDerWaalsContact CZ3-O 3.24Å; W40-T316 WeakPolarHBondContact CZ3-O 3.48Å; F300-T316 HydrophobicContact CD1-CG2 3.76Å; F300-T316 HydrophobicContact CE1-CG2 3.25Å; F300-T316 HydrophobicContact CZ-CG2 4.01Å
317	G	95.7	Very high	97.5	Very high	39 Å²	39	51.7 Å²	51.7	40%	0.402	29%	0.287	S	S	.	.			trans	153.5	-19.8	174	0	0	0	0	0	114.9	K38	K38-G317 WeakPolarHBondContact CE-O 3.18Å
318	H	97.7	Very high	97.3	Very high	12 Å²	12	47 Å²	47	6%	0.056	26%	0.262	C	S	.	.			trans	-73.1	146.5	167.5	-80.7	-68.8	0	0	0	110.7	S30 D34 W40 N299 V322	S30-H318 PolarHBondContact OG-CD2 3.12Å; S30-H318 PolarHBondContact OG-NE2 2.97Å; D34-H318 VanDerWaalsContact CG-ND1 3.28Å; D34-H318 IonicContact OD1-CE1 3.65Å; D34-H318 IonicContact OD1-ND1 3.87Å; D34-H318 PolarHBondContact OD1-ND1 3.38Å; D34-H318 VanDerWaalsContact OD1-ND1 3.13Å; D34-H318 WeakPolarHBondContact OD2-CA 3.49Å; D34-H318 WeakPolarHBondContact OD2-CB 3.49Å; D34-H318 IonicContact OD2-CE1 2.79Å; D34-H318 IonicContact OD2-CG 3.91Å; D34-H318 IonicContact OD2-ND1 3.7Å; D34-H318 PolarHBondContact OD2-ND1 3.26Å; W40-H318 AromaticContact CZ2-CD2 3.74Å; W40-H318 AromaticContact CZ2-NE2 3.99Å; N299-H318 HydrophobicContact CB-CB 4.46Å; H318-V322 HydrophobicContact CB-CG2 3.66Å; H318-V322 VanDerWaalsContact CD2-CG2 3.43Å; H318-V322 WeakPolarHBondContact CD2-CG2 3.42Å
319	Q	96.5	Very high	96.8	Very high	166 Å²	166	48.4 Å²	48.4	78%	0.776	27%	0.267	S	S	*	.	S	Bend	trans	-102.1	-9	-180	-63.1	-156.6	2.6	0	0	113.6	D34 N299	D34-Q319 HydrophobicContact CB-CB 4.43Å; D34-Q319 PolarHBondContact OD2-N 3.14Å; N299-Q319 VanDerWaalsContact ND2-C 3.33Å; N299-Q319 PolarHBondContact ND2-O 3.24Å
320	R	97.2	Very high	95.5	Very high	137 Å²	137	47.1 Å²	47.1	52%	0.517	25%	0.248	S	C	.	.	S	Bend	trans	-141.2	176.6	177.2	-64.3	178.9	168.1	179.3	-1.5	109.9	Y33 D34 N299 V322	Y33-R320 WeakPolarHBondContact O-CD 3.5Å; Y33-R320 PolarHBondContact O-NH1 3.45Å; D34-R320 HydrophobicContact CB-CB 3.97Å; D34-R320 HydrophobicContact CB-CG 4.21Å; N299-R320 VanDerWaalsContact CG-C 3.47Å; N299-R320 WeakPolarHBondContact OD1-CA 3.26Å; N299-R320 PolarHBondContact OD1-O 3.43Å; N299-R320 VanDerWaalsContact OD1-O 3.11Å; R320-V322 PolarHBondContact O-N 3.3Å
321	A	97.6	Very high	93.5	Very high	15 Å²	15	48.6 Å²	48.6	12%	0.124	24%	0.24	C	C	.	.			trans	-48.9	129.8	-179.1	0	0	0	0	0	112.3	G32 Y33 N299	G32-A321 WeakPolarHBondContact CA-O 3.41Å; Y33-A321 HydrophobicContact CD2-CB 3.8Å; Y33-A321 PolarHBondContact N-O 2.68Å; N299-A321 PolarHBondContact OD1-N 3.01Å; N299-A321 VanDerWaalsContact OD1-N 3.1Å
322	V	98.4	Very high	90.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.5	176	-169.9	0	0	0	0	107.8	C295 S296 L301 H318 R320	C295-V322 HydrophobicContact CB-CB 3.91Å; C295-V322 HydrophobicContact CB-CG1 3.59Å; S296-V322 PolarHBondContact O-N 3.34Å; S296-V322 VanDerWaalsContact O-N 3.08Å; L301-V322 HydrophobicContact CD1-CG1 4.01Å; L301-V322 HydrophobicContact CD1-CG2 4.2Å; L301-V322 HydrophobicContact CG-CG1 4.47Å; H318-V322 HydrophobicContact CB-CG2 3.66Å; H318-V322 VanDerWaalsContact CD2-CG2 3.43Å; H318-V322 WeakPolarHBondContact CD2-CG2 3.42Å; R320-V322 PolarHBondContact O-N 3.3Å
323	T	97.9	Very high	87.4	Confident	14 Å²	14	58.2 Å²	58.2	9%	0.086	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-17.8	-169.9	47.3	0	0	0	0	113.9	G31 G32 Y33 V58 W281	G31-T323 PolarHBondContact O-N 2.76Å; G32-T323 VanDerWaalsContact CA-OG1 3.27Å; G32-T323 WeakPolarHBondContact CA-OG1 3.4Å; Y33-T323 HydrophobicContact CD2-CG2 3.64Å; Y33-T323 HydrophobicContact CE2-CG2 3.42Å; Y33-T323 VanDerWaalsContact CE2-CG2 3.42Å; V58-T323 PolarHBondContact O-OG1 2.85Å; W281-T323 HydrophobicContact CD2-CG2 3.73Å; W281-T323 HydrophobicContact CE3-CG2 4.15Å; W281-T323 HydrophobicContact CG-CG2 3.95Å; W281-T323 HydrophobicContact CZ2-CG2 4.26Å
324	A	98.3	Very high	84.1	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.4	-178.2	0	0	0	0	0	110.5	S30 G31 V58 L61	S30-A324 WeakPolarHBondContact CA-O 3.46Å; G31-A324 PolarHBondContact N-O 2.84Å; G31-A324 VanDerWaalsContact N-O 3.08Å; G31-A324 PolarHBondContact O-N 3.15Å; V58-A324 HydrophobicContact CG1-CB 3.9Å; L61-A324 HydrophobicContact CB-CB 4.35Å; L61-A324 HydrophobicContact CD1-CB 4.1Å; L61-A324 HydrophobicContact CG-CB 3.94Å
325	L	97.9	Very high	83.5	Confident	6 Å²	6	60.2 Å²	60.2	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137.4	175.1	-170.9	145.9	0	0	0	109.1	L28 A29 D282 A284 F293 C295 L301 F327	L28-L325 HydrophobicContact CD1-CD1 4.17Å; L28-L325 HydrophobicContact CD1-CD2 4.1Å; L28-L325 HydrophobicContact CD1-CG 4.08Å; A29-L325 WeakPolarHBondContact O-CA 3.48Å; D282-L325 HydrophobicContact CB-CB 4.13Å; D282-L325 PolarHBondContact OD2-N 2.78Å; A284-L325 HydrophobicContact CB-CD2 3.49Å; A284-L325 VanDerWaalsContact CB-CD2 3.49Å; F293-L325 HydrophobicContact CB-CD1 3.68Å; F293-L325 HydrophobicContact CB-CD2 4.03Å; C295-L325 HydrophobicContact CB-CD1 4.25Å; L301-L325 HydrophobicContact CD2-CD1 3.63Å; L301-L325 HydrophobicContact CD2-CG 4.37Å; L301-L325 HydrophobicContact CG-CD1 4.32Å; L325-F327 HydrophobicContact CD2-CB 4.03Å
326	A	98.1	Very high	82.7	Confident	3 Å²	3	63.3 Å²	63.3	3%	0.025	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.1	167	0	0	0	0	0	108.9	A29 L61 V63 L70	A29-A326 PolarHBondContact N-O 3.09Å; A29-A326 PolarHBondContact O-N 3.49Å; L61-A326 HydrophobicContact CB-CB 3.66Å; V63-A326 HydrophobicContact CG2-CB 4.02Å; L70-A326 HydrophobicContact CD1-CB 4.11Å
327	F	97.4	Very high	81.9	Confident	27 Å²	27	62 Å²	62	12%	0.118	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.5	176.4	179.2	-100.2	0	0	0	108.7	I27 L28 I42 A284 F285 T286 F293 L325 D329	I27-F327 VanDerWaalsContact O-CA 3.31Å; I27-F327 WeakPolarHBondContact O-CA 3.12Å; L28-F327 HydrophobicContact CB-CD2 4.18Å; L28-F327 HydrophobicContact CD1-CB 4.37Å; L28-F327 HydrophobicContact CD1-CD2 4.17Å; I42-F327 HydrophobicContact CD1-CE2 3.66Å; I42-F327 HydrophobicContact CD1-CZ 4.34Å; I42-F327 HydrophobicContact CG1-CE2 4.45Å; A284-F327 HydrophobicContact CB-CB 3.72Å; F285-F327 WeakPolarHBondContact O-CD1 3.07Å; T286-F327 HydrophobicContact CG2-CE1 4.09Å; T286-F327 HydrophobicContact CG2-CZ 4.06Å; F293-F327 HydrophobicContact CD2-CB 4.39Å; F293-F327 HydrophobicContact CD2-CD1 4.43Å; F293-F327 AromaticContact CD2-CD2 3.88Å; F293-F327 HydrophobicContact CD2-CD2 3.88Å; F293-F327 HydrophobicContact CD2-CE2 4.29Å; F293-F327 AromaticContact CD2-CG 3.95Å; F293-F327 HydrophobicContact CD2-CG 3.95Å; F293-F327 HydrophobicContact CE2-CD1 4.35Å; F293-F327 AromaticContact CE2-CD2 3.45Å; F293-F327 HydrophobicContact CE2-CD2 3.45Å; F293-F327 VanDerWaalsContact CE2-CD2 3.45Å; F293-F327 HydrophobicContact CE2-CE1 4.37Å; F293-F327 AromaticContact CE2-CE2 3.43Å; F293-F327 HydrophobicContact CE2-CE2 3.43Å; F293-F327 VanDerWaalsContact CE2-CE2 3.43Å; F293-F327 AromaticContact CE2-CG 3.92Å; F293-F327 HydrophobicContact CE2-CG 3.92Å; F293-F327 AromaticContact CE2-CZ 3.92Å; F293-F327 HydrophobicContact CE2-CZ 3.92Å; F293-F327 HydrophobicContact CZ-CD2 4.13Å; F293-F327 AromaticContact CZ-CE2 3.99Å; F293-F327 HydrophobicContact CZ-CE2 3.99Å; L325-F327 HydrophobicContact CD2-CB 4.03Å; F327-D329 HydrophobicContact CE1-CB 3.82Å; F327-D329 HydrophobicContact CZ-CB 3.89Å
328	R	94.4	Very high	81.1	Confident	61 Å²	61	63.4 Å²	63.4	23%	0.23	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	127.3	174.1	-176.7	171.8	-72.4	-86.6	-3	108.8	S26 I27 E62 V63 T64 T330	S26-R328 CarbonylContact C-O 3.54Å; S26-R328 WeakPolarHBondContact CA-O 3.45Å; I27-R328 PolarHBondContact N-O 3.11Å; I27-R328 PolarHBondContact O-N 2.69Å; E62-R328 IonicContact OE1-NH2 2.91Å; E62-R328 PolarHBondContact OE1-NH2 2.98Å; V63-R328 HydrophobicContact CB-CB 4Å; V63-R328 HydrophobicContact CG1-CB 4.15Å; V63-R328 HydrophobicContact CG2-CB 4.4Å; V63-R328 PolarHBondContact O-NE 2.99Å; V63-R328 PolarHBondContact O-NH2 2.86Å; T64-R328 VanDerWaalsContact O-CD 3.23Å; T64-R328 WeakPolarHBondContact O-CD 3.44Å; T64-R328 PolarHBondContact O-NE 2.94Å; R328-T330 HydrophobicContact CG-CG2 4.26Å
329	D	85.5	Confident	80.1	Confident	41 Å²	41	66.6 Å²	66.6	22%	0.219	35%	0.349	C	S	.	.			trans	-113.6	123.3	172.3	-178.1	-5.3	0	0	0	107.1	S26 L287 F327	S26-D329 VanDerWaalsContact OG-CG 3.28Å; S26-D329 PolarHBondContact OG-OD1 2.83Å; L287-D329 HydrophobicContact CB-CB 4Å; F327-D329 HydrophobicContact CE1-CB 3.82Å; F327-D329 HydrophobicContact CZ-CB 3.89Å
330	T	69	Low	79	Confident	27 Å²	27	59.9 Å²	59.9	17%	0.166	32%	0.32	C	S	.	.			trans	-108.5	101.3	176.3	55.1	0	0	0	0	108.1	R328 F332	R328-T330 HydrophobicContact CG-CG2 4.26Å; T330-F332 VanDerWaalsContact C-N 3.34Å; T330-F332 PolarHBondContact O-N 3.4Å
331	R	54.5	Low	77.7	Confident	141 Å²	141	54.4 Å²	54.4	53%	0.532	31%	0.306	S	S	.	.			trans	-67.2	102.9	152.6	-71.4	-175.6	-172.6	174.5	4.5	106.1	D24 L287 H333	D24-R331 WeakPolarHBondContact OD1-CA 3.47Å; L287-R331 HydrophobicContact CD2-CG 4.08Å; R331-H333 VanDerWaalsContact C-N 3.31Å; R331-H333 PolarHBondContact O-N 3.49Å
332	F	35.1	Very low	76.1	Confident	111 Å²	111	57.5 Å²	57.5	49%	0.487	32%	0.32	S	S	.	.			trans	-62.1	100.4	169.7	-79.5	-80.6	0	0	0	107.8	P22 R25 T330 G334	P22-F332 HydrophobicContact CB-CB 3.8Å; P22-F332 HydrophobicContact CB-CD2 3.73Å; P22-F332 HydrophobicContact CB-CE2 4.42Å; P22-F332 HydrophobicContact CB-CG 3.78Å; P22-F332 HydrophobicContact CG-CB 3.4Å; P22-F332 HydrophobicContact CG-CD2 4.3Å; P22-F332 HydrophobicContact CG-CG 3.98Å; R25-F332 HydrophobicContact CB-CE2 4.27Å; T330-F332 VanDerWaalsContact C-N 3.34Å; T330-F332 PolarHBondContact O-N 3.4Å; F332-G334 VanDerWaalsContact C-N 3.27Å; F332-G334 PolarHBondContact O-N 3.42Å; F332-G334 VanDerWaalsContact O-N 3.1Å
333	H	33.9	Very low	74.3	Confident	174 Å²	174	62.3 Å²	62.3	81%	0.806	35%	0.347	S	S	*	.			trans	-74	92.5	158.9	-65.9	-54.1	0	0	0	106	R331	R331-H333 VanDerWaalsContact C-N 3.31Å; R331-H333 PolarHBondContact O-N 3.49Å
334	G	29.5	Very low	72.1	Confident	142 Å²	142	66.6 Å²	66.6	100%	1.464	37%	0.371	S	S	*	.			trans	-67.3	0	168.5	0	0	0	0	0	112.2	F332	F332-G334 VanDerWaalsContact C-N 3.27Å; F332-G334 PolarHBondContact O-N 3.42Å; F332-G334 VanDerWaalsContact O-N 3.1Å

Retrieved 334 of 334 residues in 108.9 ms (Link to these results)

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