A0A077ZDR1_TRITR Loading...

Intraflagellar transport 172 homolog

AlphaFold DB , UniProt , Accession A0A077ZDR1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 594 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	69.3	Low	88.9	Confident	29 Å²	29	71.2 Å²	71.2	14%	0.143	33%	0.331	C	S	.	.				0	134.7	0	166.1	179.7	167.3	0	0	106.7	V3 T258 D272 W287 C308 L310	M1-V3 HydrophobicContact CE-CG2 3.55Å; M1-V3 HydrophobicContact CG-CG2 4.15Å; M1-V3 HydrophobicContact SD-CG2 4.41Å; M1-T258 HydrophobicContact CE-CG2 4.19Å; M1-T258 HydrophobicContact SD-CG2 4.14Å; M1-D272 VanDerWaalsContact O-OD2 3.1Å; M1-W287 HydrophobicContact CE-CH2 3.41Å; M1-W287 VanDerWaalsContact CE-CH2 3.41Å; M1-W287 HydrophobicContact CE-CZ2 3.32Å; M1-W287 HydrophobicContact CE-CZ3 4.37Å; M1-W287 HydrophobicContact SD-CH2 3.32Å; M1-W287 WeakPolarHBondContact SD-CH2 3.46Å; M1-W287 HydrophobicContact SD-CZ2 3.58Å; M1-W287 VanDerWaalsContact SD-CZ2 3.58Å; M1-W287 HydrophobicContact SD-CZ3 4.47Å; M1-C308 HydrophobicContact CE-CB 3.78Å; M1-C308 WeakPolarHBondContact CE-SG 3.18Å; M1-L310 HydrophobicContact CB-CD2 4.23Å; M1-L310 HydrophobicContact CG-CD2 4.46Å
2	F	73.9	Confident	89.3	Confident	123 Å²	123	72.3 Å²	72.3	54%	0.539	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	136.7	170.1	-64.3	-80.1	0	0	0	109.6	C309 K311	F2-C309 PolarHBondContact N-O 3Å; F2-C309 PolarHBondContact O-N 2.93Å; F2-K311 HydrophobicContact CE2-CG 3.95Å
3	V	85.8	Confident	89.6	Confident	25 Å²	25	71.3 Å²	71.3	15%	0.152	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	131.1	174.5	-167.3	0	0	0	0	109.5	M1 F256 T258 I274 F306 D307	M1-V3 HydrophobicContact CE-CG2 3.55Å; M1-V3 HydrophobicContact CG-CG2 4.15Å; M1-V3 HydrophobicContact SD-CG2 4.41Å; V3-F256 HydrophobicContact CG1-CE2 4.17Å; V3-F256 HydrophobicContact CG1-CZ 3.91Å; V3-T258 HydrophobicContact CG2-CG2 3.76Å; V3-I274 HydrophobicContact CB-CD1 4.04Å; V3-I274 HydrophobicContact CB-CG1 4.01Å; V3-I274 HydrophobicContact CG1-CG1 4.23Å; V3-I274 HydrophobicContact CG2-CD1 4Å; V3-F306 HydrophobicContact CG1-CB 3.69Å; V3-F306 HydrophobicContact CG1-CD1 3.98Å; V3-F306 HydrophobicContact CG1-CG 4.13Å; V3-D307 WeakPolarHBondContact CA-O 3.4Å
4	K	88.2	Confident	89.6	Confident	148 Å²	148	70.1 Å²	70.1	64%	0.643	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.3	178.7	-170.7	-168.2	172.5	-168.1	0	109.4	D6 F306 D307	K4-D6 PolarHBondContact O-N 2.6Å; K4-F306 CarbonylContact O-C 3.32Å; K4-F306 VanDerWaalsContact O-CA 3.23Å; K4-F306 WeakPolarHBondContact O-CA 3.22Å; K4-F306 WeakPolarHBondContact O-CB 3.31Å; K4-D307 HydrophobicContact CB-CB 4.46Å; K4-D307 PolarHBondContact N-O 3.25Å; K4-D307 PolarHBondContact O-N 2.83Å
5	Y	92.6	Very high	89.8	Confident	114 Å²	114	74.5 Å²	74.5	45%	0.447	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	131.8	169.7	177.3	-92.3	0	0	0	110.6	E8 E304 F306	Y5-E8 PolarHBondContact OH-N 2.81Å; Y5-E8 VanDerWaalsContact OH-N 3.07Å; Y5-E304 HydrophobicContact CE2-CG 4.27Å; Y5-E304 WeakPolarHBondContact CE2-OE2 3.34Å; Y5-F306 AromaticContact CD2-CE1 3.97Å; Y5-F306 HydrophobicContact CD2-CE1 3.97Å; Y5-F306 HydrophobicContact CD2-CZ 4.02Å
6	D	92.6	Very high	90.1	Very high	38 Å²	38	78.1 Å²	78.1	20%	0.203	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-65.9	172.4	167.1	14.2	0	0	0	109.4	K4 K293 L305	K4-D6 PolarHBondContact O-N 2.6Å; D6-K293 IonicContact OD2-NZ 3.58Å; D6-K293 PolarHBondContact OD2-NZ 2.92Å; D6-L305 WeakPolarHBondContact CB-O 3.46Å; D6-L305 PolarHBondContact N-O 2.67Å; D6-L305 WeakPolarHBondContact OD2-CD2 3.3Å
7	R	94.7	Very high	90.4	Very high	102 Å²	102	73.6 Å²	73.6	39%	0.385	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	162.1	-172.9	63.9	-173	62.2	-153.7	-13.2	114.6	L9 S46 L305	R7-L9 HydrophobicContact CG-CD2 3.94Å; R7-S46 VanDerWaalsContact CZ-O 3.25Å; R7-S46 PolarHBondContact NE-O 2.81Å; R7-S46 PolarHBondContact NH1-O 2.85Å; R7-L305 HydrophobicContact CG-CB 4.06Å; R7-L305 HydrophobicContact CG-CD2 4.08Å; R7-L305 PolarHBondContact N-O 2.91Å; R7-L305 PolarHBondContact O-N 3.38Å
8	E	95.5	Very high	90.6	Very high	92 Å²	92	71.2 Å²	71.2	43%	0.43	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	134.6	164.2	-170.7	-174.1	75.9	0	0	109.4	Y5 V10 P11	Y5-E8 PolarHBondContact OH-N 2.81Å; Y5-E8 VanDerWaalsContact OH-N 3.07Å; E8-V10 WeakPolarHBondContact CG-O 3.38Å; E8-P11 WeakPolarHBondContact OE1-CA 3.39Å; E8-P11 WeakPolarHBondContact OE1-CB 3.49Å; E8-P11 WeakPolarHBondContact OE2-CA 3.28Å
9	L	96.1	Very high	90.9	Very high	17 Å²	17	67.5 Å²	67.5	9%	0.089	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-30	176.7	-60.8	-176.5	0	0	0	112.6	R7 L31 Y43 G47 V303 L305	R7-L9 HydrophobicContact CG-CD2 3.94Å; L9-L31 HydrophobicContact CD1-CD2 3.5Å; L9-L31 VanDerWaalsContact CD1-CD2 3.5Å; L9-Y43 HydrophobicContact CB-CD1 4.4Å; L9-Y43 HydrophobicContact CB-CE1 3.86Å; L9-Y43 HydrophobicContact CD2-CD1 4.14Å; L9-Y43 HydrophobicContact CD2-CE1 4.29Å; L9-Y43 PolarHBondContact O-OH 3.3Å; L9-G47 WeakPolarHBondContact CD2-O 3.22Å; L9-V303 HydrophobicContact CB-CB 4.26Å; L9-V303 HydrophobicContact CB-CG1 4.02Å; L9-V303 HydrophobicContact CD1-CG1 4.12Å; L9-V303 HydrophobicContact CG-CG1 4.5Å; L9-V303 PolarHBondContact N-O 3.46Å; L9-L305 HydrophobicContact CD1-CB 4.17Å; L9-L305 HydrophobicContact CD1-CD2 4.36Å; L9-L305 HydrophobicContact CD2-CB 4.48Å; L9-L305 HydrophobicContact CD2-CD2 4.22Å; L9-L305 HydrophobicContact CG-CB 4.14Å
10	V	95.8	Very high	91.1	Very high	17 Å²	17	66.1 Å²	66.1	10%	0.103	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	126.2	172.6	-175.5	0	0	0	0	107.5	E8 L41 Y43 G301 A302 V303	E8-V10 WeakPolarHBondContact CG-O 3.38Å; V10-L41 HydrophobicContact CG2-CD1 4Å; V10-Y43 WeakPolarHBondContact CG2-OH 3.25Å; V10-G301 WeakPolarHBondContact CG1-O 3.42Å; V10-A302 WeakPolarHBondContact O-CA 3.44Å; V10-V303 HydrophobicContact CB-CB 3.92Å; V10-V303 HydrophobicContact CB-CG2 3.95Å; V10-V303 HydrophobicContact CG2-CB 3.94Å; V10-V303 HydrophobicContact CG2-CG2 3.84Å; V10-V303 PolarHBondContact N-O 3Å; V10-V303 PolarHBondContact O-N 3.49Å
11	P	94	Very high	91.3	Very high	78 Å²	78	63.8 Å²	63.8	51%	0.506	31%	0.311	S	S	.	.			trans	-68.5	149.7	179.1	26.9	-34.4	0	0	0	113.3	E8 Q13	E8-P11 WeakPolarHBondContact OE1-CA 3.39Å; E8-P11 WeakPolarHBondContact OE1-CB 3.49Å; E8-P11 WeakPolarHBondContact OE2-CA 3.28Å; P11-Q13 PolarHBondContact O-N 3.05Å
12	Y	93.4	Very high	92.6	Very high	84 Å²	84	62.9 Å²	62.9	33%	0.329	31%	0.307	S	S	.	.			trans	-52.2	123.7	167.8	172	-104.5	0	0	0	111.3	G14 N278 Y280 C300	Y12-G14 VanDerWaalsContact CE1-CA 3.43Å; Y12-N278 HydrophobicContact CD2-CB 3.72Å; Y12-N278 VanDerWaalsContact CD2-O 3.29Å; Y12-N278 WeakPolarHBondContact CD2-O 3.48Å; Y12-N278 HydrophobicContact CE2-CB 3.85Å; Y12-N278 WeakPolarHBondContact CE2-O 3.4Å; Y12-N278 HydrophobicContact CG-CB 4.11Å; Y12-Y280 AromaticContact CE2-CE2 3.95Å; Y12-Y280 HydrophobicContact CE2-CE2 3.95Å; Y12-C300 HydrophobicContact CD2-CB 3.63Å; Y12-C300 HydrophobicContact CE2-CB 3.28Å
13	Q	92.6	Very high	93.7	Very high	60 Å²	60	57.4 Å²	57.4	28%	0.28	29%	0.285	S	S	.	.			trans	-90	-2.7	-171	-59.5	-168.5	18.7	0	0	115	P11 R15 A17 C300	P11-Q13 PolarHBondContact O-N 3.05Å; Q13-R15 HydrophobicContact CB-CG 3.96Å; Q13-R15 PolarHBondContact O-N 2.85Å; Q13-R15 VanDerWaalsContact O-N 3.07Å; Q13-A17 HydrophobicContact CB-CB 4.36Å; Q13-A17 HydrophobicContact CG-CB 4.44Å; Q13-A17 VanDerWaalsContact OE1-CB 3.3Å; Q13-C300 WeakPolarHBondContact CB-O 3.42Å; Q13-C300 PolarHBondContact N-O 3.1Å
14	G	89.3	Confident	94.2	Very high	54 Å²	54	56.9 Å²	56.9	56%	0.557	28%	0.28	S	S	*	.	S	Bend	trans	66.6	5.6	-176.9	0	0	0	0	0	115.6	Y12	Y12-G14 VanDerWaalsContact CE1-CA 3.43Å
15	R	93.5	Very high	94.5	Very high	136 Å²	136	49.8 Å²	49.8	51%	0.513	25%	0.249	S	C	.	.	S	Bend	trans	-142	162.9	-174.9	69	-174.6	-177.7	152.2	7.5	110.6	Q13 A17 C300	Q13-R15 HydrophobicContact CB-CG 3.96Å; Q13-R15 PolarHBondContact O-N 2.85Å; Q13-R15 VanDerWaalsContact O-N 3.07Å; R15-A17 HydrophobicContact CG-CB 4.11Å; R15-A17 PolarHBondContact O-N 2.96Å; R15-C300 WeakPolarHBondContact O-CA 3.39Å; R15-C300 WeakPolarHBondContact O-CB 3.11Å
16	L	94.2	Very high	94.4	Very high	133 Å²	133	47.2 Å²	47.2	70%	0.696	25%	0.246	S	C	*	.			trans	-65.6	101.7	172.2	-175.2	63.9	0	0	0	109.8	L299	L16-L299 HydrophobicContact CD1-CD1 4.03Å; L16-L299 HydrophobicContact CD1-CD2 4.1Å; L16-L299 HydrophobicContact CD1-CG 3.71Å
17	A	94.7	Very high	94.2	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	26%	0.256	C	S	.	.			trans	-142.7	58.6	-174.9	0	0	0	0	0	110.8	Q13 R15 I19 L299 G301	Q13-A17 HydrophobicContact CB-CB 4.36Å; Q13-A17 HydrophobicContact CG-CB 4.44Å; Q13-A17 VanDerWaalsContact OE1-CB 3.3Å; R15-A17 HydrophobicContact CG-CB 4.11Å; R15-A17 PolarHBondContact O-N 2.96Å; A17-I19 PolarHBondContact O-N 2.78Å; A17-L299 CarbonylContact C-O 3.55Å; A17-L299 VanDerWaalsContact C-O 3.29Å; A17-L299 PolarHBondContact N-O 2.95Å; A17-L299 VanDerWaalsContact N-O 3.1Å; A17-G301 WeakPolarHBondContact O-CA 3.5Å; A17-G301 PolarHBondContact O-N 2.95Å
18	P	94.7	Very high	94.1	Very high	31 Å²	31	44.5 Å²	44.5	20%	0.201	24%	0.24	C	C	.	.			trans	-60	130.3	-167.8	20.5	-32.8	0	0	0	113.3	Q20 S36 T283 L299	P18-Q20 PolarHBondContact O-N 3.3Å; P18-Q20 PolarHBondContact O-NE2 2.84Å; P18-S36 PolarHBondContact O-N 3.18Å; P18-T283 HydrophobicContact CB-CG2 4.36Å; P18-L299 VanDerWaalsContact CA-O 3.28Å; P18-L299 WeakPolarHBondContact CA-O 3.41Å; P18-L299 HydrophobicContact CB-CD1 4.28Å; P18-L299 WeakPolarHBondContact CD-O 3.49Å
19	I	96.9	Very high	93.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.229	C	C	.	.			trans	-66.2	114.1	166.5	-59.6	-59.9	0	0	0	108	A17 I22 V33 T283 A284 G298 V303	A17-I19 PolarHBondContact O-N 2.78Å; I19-I22 HydrophobicContact CG2-CD1 3.98Å; I19-I22 HydrophobicContact CG2-CG1 3.7Å; I19-V33 HydrophobicContact CD1-CG1 4.22Å; I19-V33 HydrophobicContact CG2-CG1 4.17Å; I19-T283 WeakPolarHBondContact O-CB 3.48Å; I19-T283 PolarHBondContact O-OG1 3.43Å; I19-A284 HydrophobicContact CG2-CB 4.25Å; I19-G298 PolarHBondContact N-O 3.2Å; I19-V303 HydrophobicContact CD1-CG2 3.59Å; I19-V303 HydrophobicContact CG1-CG2 3.66Å; I19-V303 HydrophobicContact CG2-CG2 4.42Å
20	Q	94.8	Very high	93.9	Very high	39 Å²	39	41.1 Å²	41.1	18%	0.182	23%	0.226	C	C	.	.			trans	-75.6	-34.6	-172.8	-63.6	-58	-62.4	0	0	112.3	P18 C34 V69	P18-Q20 PolarHBondContact O-N 3.3Å; P18-Q20 PolarHBondContact O-NE2 2.84Å; Q20-C34 HydrophobicContact CB-CB 4.38Å; Q20-C34 PolarHBondContact N-O 2.86Å; Q20-V69 VanDerWaalsContact CB-O 3.31Å; Q20-V69 WeakPolarHBondContact CB-O 3.32Å; Q20-V69 WeakPolarHBondContact CG-O 3.47Å; Q20-V69 PolarHBondContact OE1-O 3.03Å
21	S	95.3	Very high	94	Very high	17 Å²	17	40.3 Å²	40.3	12%	0.119	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	150.4	-175.5	-158.9	0	0	0	0	110.9	C34 I72	S21-C34 PolarHBondContact O-N 2.87Å; S21-I72 PolarHBondContact OG-N 3.09Å; S21-I72 VanDerWaalsContact OG-N 3.16Å
22	I	97	Very high	94.2	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.051	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.3	175.5	-62.7	178.9	0	0	0	107.2	I19 L31 A32 V33 A284 A295 V303	I19-I22 HydrophobicContact CG2-CD1 3.98Å; I19-I22 HydrophobicContact CG2-CG1 3.7Å; I22-L31 HydrophobicContact CG2-CD1 3.43Å; I22-L31 VanDerWaalsContact CG2-CD1 3.43Å; I22-A32 WeakPolarHBondContact CA-O 3.3Å; I22-V33 HydrophobicContact CG1-CG1 4.49Å; I22-V33 HydrophobicContact CG1-CG2 4.34Å; I22-V33 HydrophobicContact CG2-CG2 4.46Å; I22-A284 HydrophobicContact CB-CB 4.13Å; I22-A284 HydrophobicContact CD1-CB 4.11Å; I22-A284 HydrophobicContact CG1-CB 3.79Å; I22-A295 HydrophobicContact CG2-CB 4.04Å; I22-V303 HydrophobicContact CD1-CG1 4.17Å
23	A	96.6	Very high	94.4	Very high	9 Å²	9	32.6 Å²	32.6	7%	0.074	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	130.8	172.6	0	0	0	0	0	111.1	A32 I72 F74	A23-A32 PolarHBondContact N-O 2.97Å; A23-A32 PolarHBondContact O-N 2.6Å; A23-I72 HydrophobicContact CB-CG1 3.98Å; A23-F74 HydrophobicContact CB-CD2 4.12Å; A23-F74 HydrophobicContact CB-CE2 4.5Å; A23-F74 WeakPolarHBondContact O-CE2 3.43Å
24	W	96.2	Very high	94.6	Very high	13 Å²	13	29.8 Å²	29.8	5%	0.049	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	150.2	160.7	-80.3	97.5	0	0	0	111.1	L31 S286 W287 K288 L305	W24-L31 HydrophobicContact CD2-CB 3.99Å; W24-L31 HydrophobicContact CD2-CD1 3.96Å; W24-L31 HydrophobicContact CD2-CG 4.46Å; W24-L31 HydrophobicContact CE3-CB 3.9Å; W24-L31 HydrophobicContact CG-CD1 3.97Å; W24-L31 HydrophobicContact CH2-CB 3.87Å; W24-L31 HydrophobicContact CH2-CD2 4.32Å; W24-L31 HydrophobicContact CZ2-CB 3.96Å; W24-L31 HydrophobicContact CZ2-CD1 4.35Å; W24-L31 HydrophobicContact CZ2-CD2 3.77Å; W24-L31 HydrophobicContact CZ2-CG 4.25Å; W24-L31 HydrophobicContact CZ3-CB 3.85Å; W24-S286 PolarHBondContact N-OG 3.48Å; W24-W287 VanDerWaalsContact CD1-C 3.44Å; W24-K288 HydrophobicContact CD2-CB 3.75Å; W24-K288 HydrophobicContact CD2-CD 4.29Å; W24-K288 HydrophobicContact CD2-CG 3.7Å; W24-K288 HydrophobicContact CE3-CB 4.24Å; W24-K288 HydrophobicContact CE3-CD 4.03Å; W24-K288 HydrophobicContact CE3-CG 3.65Å; W24-K288 HydrophobicContact CG-CB 3.97Å; W24-K288 HydrophobicContact CG-CG 4.26Å; W24-K288 HydrophobicContact CH2-CD 3.81Å; W24-K288 HydrophobicContact CH2-CG 4.3Å; W24-K288 HydrophobicContact CZ2-CB 4.32Å; W24-K288 HydrophobicContact CZ2-CD 4.06Å; W24-K288 HydrophobicContact CZ2-CG 4.33Å; W24-K288 HydrophobicContact CZ3-CD 3.78Å; W24-K288 HydrophobicContact CZ3-CG 3.96Å; W24-L305 HydrophobicContact CZ2-CD1 3.84Å
25	S	94.9	Very high	94.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.			trans	-78.9	146.3	172	60.4	0	0	0	0	111.9	D27 S28 S29 R30 S289	S25-D27 VanDerWaalsContact C-N 3.29Å; S25-D27 WeakPolarHBondContact CB-OD1 3.38Å; S25-D27 PolarHBondContact O-N 2.85Å; S25-D27 PolarHBondContact OG-OD1 2.91Å; S25-S28 WeakPolarHBondContact O-CA 3.41Å; S25-S28 PolarHBondContact O-N 2.83Å; S25-S29 PolarHBondContact OG-N 3Å; S25-R30 PolarHBondContact N-O 3.36Å; S25-R30 PolarHBondContact OG-N 3.41Å; S25-R30 PolarHBondContact OG-O 3.46Å; S25-R30 VanDerWaalsContact OG-O 3.12Å; S25-S289 PolarHBondContact O-OG 2.97Å
26	P	90.8	Very high	94.9	Very high	60 Å²	60	23.3 Å²	23.3	39%	0.39	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-39.1	176	-32.1	37.3	0	0	0	114.8	S28 S75 P76 S78 S289	P26-S28 PolarHBondContact O-N 2.89Å; P26-S28 VanDerWaalsContact O-N 3.14Å; P26-S75 WeakPolarHBondContact CG-O 3.34Å; P26-P76 WeakPolarHBondContact CB-O 3.35Å; P26-S78 VanDerWaalsContact CD-OG 3.31Å; P26-S78 WeakPolarHBondContact CD-OG 3.31Å; P26-S289 WeakPolarHBondContact CA-OG 3.45Å; P26-S289 WeakPolarHBondContact O-CB 3.33Å
27	D	88.1	Confident	94.9	Very high	77 Å²	77	21.4 Å²	21.4	41%	0.412	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-0.1	175.9	76.6	-19.3	0	0	0	114.2	S25 S29 S78	S25-D27 VanDerWaalsContact C-N 3.29Å; S25-D27 WeakPolarHBondContact CB-OD1 3.38Å; S25-D27 PolarHBondContact O-N 2.85Å; S25-D27 PolarHBondContact OG-OD1 2.91Å; D27-S29 PolarHBondContact O-N 3.03Å; D27-S29 VanDerWaalsContact O-N 3.15Å; D27-S29 PolarHBondContact OD1-N 2.89Å; D27-S29 PolarHBondContact OD1-OG 2.88Å; D27-S29 VanDerWaalsContact OD1-OG 3.08Å; D27-S29 WeakPolarHBondContact OD2-CB 3.33Å; D27-S29 PolarHBondContact OD2-OG 3.45Å; D27-S78 WeakPolarHBondContact CB-OG 3.31Å; D27-S78 VanDerWaalsContact CG-CB 3.46Å; D27-S78 PolarHBondContact N-OG 2.88Å; D27-S78 PolarHBondContact OD1-OG 2.8Å
28	S	91.2	Very high	94.9	Very high	5 Å²	5	22.4 Å²	22.4	4%	0.035	13%	0.13	C	C	.	.	S	Bend	trans	65.6	7.8	179.2	-107.1	0	0	0	0	115.8	S25 P26 K288 S289 D290	S25-S28 WeakPolarHBondContact O-CA 3.41Å; S25-S28 PolarHBondContact O-N 2.83Å; P26-S28 PolarHBondContact O-N 2.89Å; P26-S28 VanDerWaalsContact O-N 3.14Å; S28-K288 WeakPolarHBondContact O-CE 3.47Å; S28-K288 PolarHBondContact O-NZ 2.99Å; S28-K288 VanDerWaalsContact O-NZ 3.15Å; S28-K288 WeakPolarHBondContact OG-CG 3.34Å; S28-K288 PolarHBondContact OG-NZ 2.83Å; S28-S289 PolarHBondContact OG-N 3.38Å; S28-D290 PolarHBondContact OG-N 3.49Å
29	S	92.3	Very high	95	Very high	30 Å²	30	21.9 Å²	21.9	21%	0.21	13%	0.126	C	C	.	.	S	Bend	trans	-92.8	-19.8	-172.5	78	0	0	0	0	114.6	S25 D27 D44 E45	S25-S29 PolarHBondContact OG-N 3Å; D27-S29 PolarHBondContact O-N 3.03Å; D27-S29 VanDerWaalsContact O-N 3.15Å; D27-S29 PolarHBondContact OD1-N 2.89Å; D27-S29 PolarHBondContact OD1-OG 2.88Å; D27-S29 VanDerWaalsContact OD1-OG 3.08Å; D27-S29 WeakPolarHBondContact OD2-CB 3.33Å; D27-S29 PolarHBondContact OD2-OG 3.45Å; S29-D44 WeakPolarHBondContact O-CA 3.29Å; S29-E45 PolarHBondContact O-N 3.2Å
30	R	95.2	Very high	95	Very high	9 Å²	9	21.8 Å²	21.8	3%	0.034	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146	-175.1	-50.3	-172.2	-179.6	153	-5.3	112.8	S25 Y43 F74 G96 Q97 W99	S25-R30 PolarHBondContact N-O 3.36Å; S25-R30 PolarHBondContact OG-N 3.41Å; S25-R30 PolarHBondContact OG-O 3.46Å; S25-R30 VanDerWaalsContact OG-O 3.12Å; R30-Y43 CarbonylContact C-O 3.55Å; R30-Y43 WeakPolarHBondContact CA-O 3.45Å; R30-F74 HydrophobicContact CB-CE1 4.25Å; R30-F74 HydrophobicContact CB-CZ 3.85Å; R30-G96 VanDerWaalsContact CZ-O 3.29Å; R30-G96 PolarHBondContact NH1-O 3.46Å; R30-G96 PolarHBondContact NH2-O 2.88Å; R30-Q97 PolarHBondContact NH2-O 2.87Å; R30-W99 HydrophobicContact CB-CH2 4.15Å; R30-W99 HydrophobicContact CG-CH2 3.66Å; R30-W99 HydrophobicContact CG-CZ2 3.77Å; R30-W99 HydrophobicContact CG-CZ3 4.49Å
31	L	97.6	Very high	95.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.8	168.7	172.6	61.4	0	0	0	108.9	L9 I22 W24 V33 L42 Y43 A295	L9-L31 HydrophobicContact CD1-CD2 3.5Å; L9-L31 VanDerWaalsContact CD1-CD2 3.5Å; I22-L31 HydrophobicContact CG2-CD1 3.43Å; I22-L31 VanDerWaalsContact CG2-CD1 3.43Å; W24-L31 HydrophobicContact CD2-CB 3.99Å; W24-L31 HydrophobicContact CD2-CD1 3.96Å; W24-L31 HydrophobicContact CD2-CG 4.46Å; W24-L31 HydrophobicContact CE3-CB 3.9Å; W24-L31 HydrophobicContact CG-CD1 3.97Å; W24-L31 HydrophobicContact CH2-CB 3.87Å; W24-L31 HydrophobicContact CH2-CD2 4.32Å; W24-L31 HydrophobicContact CZ2-CB 3.96Å; W24-L31 HydrophobicContact CZ2-CD1 4.35Å; W24-L31 HydrophobicContact CZ2-CD2 3.77Å; W24-L31 HydrophobicContact CZ2-CG 4.25Å; W24-L31 HydrophobicContact CZ3-CB 3.85Å; L31-V33 HydrophobicContact CD2-CG2 4.47Å; L31-V33 HydrophobicContact CG-CG2 4.18Å; L31-L42 WeakPolarHBondContact O-CA 3.37Å; L31-Y43 PolarHBondContact N-O 2.76Å; L31-Y43 PolarHBondContact O-N 3.33Å; L31-A295 HydrophobicContact CD1-CB 4.04Å; L31-A295 HydrophobicContact CD2-CB 3.77Å
32	A	98	Very high	95.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135	172.2	0	0	0	0	0	110.4	I22 A23 I40 L41 L42 I72 F74 L81	I22-A32 WeakPolarHBondContact CA-O 3.3Å; A23-A32 PolarHBondContact N-O 2.97Å; A23-A32 PolarHBondContact O-N 2.6Å; A32-I40 HydrophobicContact CB-CG2 4.2Å; A32-L41 WeakPolarHBondContact CA-O 3.46Å; A32-L42 HydrophobicContact CB-CD2 3.72Å; A32-I72 HydrophobicContact CB-CD1 3.78Å; A32-F74 HydrophobicContact CB-CE2 3.58Å; A32-F74 HydrophobicContact CB-CZ 3.9Å; A32-L81 HydrophobicContact CB-CD1 4.08Å; A32-L81 HydrophobicContact CB-CD2 4.27Å
33	V	98.1	Very high	95.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.2	178.6	174.4	0	0	0	0	108.4	I19 I22 L31 I40 L41 Y43 V303	I19-V33 HydrophobicContact CD1-CG1 4.22Å; I19-V33 HydrophobicContact CG2-CG1 4.17Å; I22-V33 HydrophobicContact CG1-CG1 4.49Å; I22-V33 HydrophobicContact CG1-CG2 4.34Å; I22-V33 HydrophobicContact CG2-CG2 4.46Å; L31-V33 HydrophobicContact CD2-CG2 4.47Å; L31-V33 HydrophobicContact CG-CG2 4.18Å; V33-I40 WeakPolarHBondContact O-CA 3.23Å; V33-L41 HydrophobicContact CB-CB 4.36Å; V33-L41 PolarHBondContact N-O 3.12Å; V33-L41 PolarHBondContact O-N 3.47Å; V33-Y43 HydrophobicContact CB-CE2 4.35Å; V33-Y43 HydrophobicContact CG2-CD2 4.16Å; V33-Y43 HydrophobicContact CG2-CE2 4.05Å; V33-V303 HydrophobicContact CG1-CG2 3.83Å; V33-V303 HydrophobicContact CG2-CG1 4.3Å
34	C	97.7	Very high	95.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.9	172.9	-171.8	0	0	0	0	111	Q20 S21 I40 V69 I72	Q20-C34 HydrophobicContact CB-CB 4.38Å; Q20-C34 PolarHBondContact N-O 2.86Å; S21-C34 PolarHBondContact O-N 2.87Å; C34-I40 HydrophobicContact CB-CD1 3.63Å; C34-V69 HydrophobicContact CB-CG1 4.33Å; C34-V69 VanDerWaalsContact SG-CB 3.54Å; C34-I72 HydrophobicContact CB-CD1 4.23Å; C34-I72 HydrophobicContact CB-CG2 4.3Å
35	N	95.3	Very high	94.9	Very high	21 Å²	21	23 Å²	23	11%	0.112	13%	0.129	C	C	.	.			trans	-82.2	177.8	175.9	80.1	-13.4	0	0	0	112.6	D37 N38 V39	N35-D37 PolarHBondContact ND2-OD2 3.41Å; N35-D37 PolarHBondContact O-N 2.94Å; N35-D37 PolarHBondContact OD1-N 2.95Å; N35-N38 PolarHBondContact O-N 2.88Å; N35-N38 PolarHBondContact OD1-N 2.75Å; N35-V39 PolarHBondContact N-O 3.07Å; N35-V39 VanDerWaalsContact N-O 3.17Å; N35-V39 WeakPolarHBondContact OD1-CB 3.45Å; N35-V39 PolarHBondContact OD1-N 2.83Å; N35-V39 PolarHBondContact OD1-O 3.12Å
36	S	94.2	Very high	94.6	Very high	34 Å²	34	25.3 Å²	25.3	24%	0.238	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.4	176.5	55.5	0	0	0	0	114.6	P18 N38	P18-S36 PolarHBondContact O-N 3.18Å; S36-N38 VanDerWaalsContact C-N 3.27Å; S36-N38 PolarHBondContact O-N 2.77Å
37	D	93.2	Very high	94.7	Very high	93 Å²	93	22.9 Å²	22.9	50%	0.497	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	11.7	-178.4	-48.2	-45.4	0	0	0	112.3	N35 V39	N35-D37 PolarHBondContact ND2-OD2 3.41Å; N35-D37 PolarHBondContact O-N 2.94Å; N35-D37 PolarHBondContact OD1-N 2.95Å; D37-V39 HydrophobicContact CB-CG2 4.18Å; D37-V39 PolarHBondContact O-N 3.34Å
38	N	94.5	Very high	95.1	Very high	21 Å²	21	23.9 Å²	23.9	11%	0.112	13%	0.133	C	C	.	.	S	Bend	trans	58.6	29.5	-176.4	-55.1	-58.2	0	0	0	114.6	N35 S36 T55 Y67 A68 V69	N35-N38 PolarHBondContact O-N 2.88Å; N35-N38 PolarHBondContact OD1-N 2.75Å; S36-N38 VanDerWaalsContact C-N 3.27Å; S36-N38 PolarHBondContact O-N 2.77Å; N38-T55 WeakPolarHBondContact CB-OG1 3.43Å; N38-T55 WeakPolarHBondContact O-CG2 3.46Å; N38-T55 PolarHBondContact O-N 3.17Å; N38-T55 VanDerWaalsContact O-N 3.17Å; N38-T55 PolarHBondContact O-OG1 3.41Å; N38-Y67 HydrophobicContact CB-CE2 3.91Å; N38-Y67 PolarHBondContact ND2-O 2.98Å; N38-A68 WeakPolarHBondContact OD1-CA 3.5Å; N38-V69 HydrophobicContact CB-CG2 4.13Å; N38-V69 PolarHBondContact OD1-N 2.89Å
39	V	96.2	Very high	95.3	Very high	20 Å²	20	28.6 Å²	28.6	12%	0.121	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.9	172.2	-170.2	0	0	0	0	108.8	N35 D37 L41 K52	N35-V39 PolarHBondContact N-O 3.07Å; N35-V39 VanDerWaalsContact N-O 3.17Å; N35-V39 WeakPolarHBondContact OD1-CB 3.45Å; N35-V39 PolarHBondContact OD1-N 2.83Å; N35-V39 PolarHBondContact OD1-O 3.12Å; D37-V39 HydrophobicContact CB-CG2 4.18Å; D37-V39 PolarHBondContact O-N 3.34Å; V39-L41 HydrophobicContact CG1-CD2 3.94Å; V39-K52 HydrophobicContact CG1-CB 4.27Å
40	I	97.6	Very high	95.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	119.2	169.4	-52.8	-51.8	0	0	0	108	A32 V33 C34 L42 K52 F53 T55 I72 L81	A32-I40 HydrophobicContact CB-CG2 4.2Å; V33-I40 WeakPolarHBondContact O-CA 3.23Å; C34-I40 HydrophobicContact CB-CD1 3.63Å; I40-L42 HydrophobicContact CG2-CD2 3.92Å; I40-L42 HydrophobicContact CG2-CG 4.44Å; I40-K52 CarbonylContact O-C 3.29Å; I40-K52 WeakPolarHBondContact O-CA 3.33Å; I40-F53 HydrophobicContact CB-CD1 4.11Å; I40-F53 HydrophobicContact CB-CD2 4.34Å; I40-F53 HydrophobicContact CB-CE1 3.7Å; I40-F53 HydrophobicContact CB-CE2 3.96Å; I40-F53 HydrophobicContact CB-CG 4.42Å; I40-F53 HydrophobicContact CB-CZ 3.63Å; I40-F53 HydrophobicContact CG1-CD2 4.34Å; I40-F53 HydrophobicContact CG1-CE1 4.26Å; I40-F53 HydrophobicContact CG1-CE2 3.68Å; I40-F53 HydrophobicContact CG1-CZ 3.65Å; I40-F53 HydrophobicContact CG2-CD1 4.43Å; I40-F53 HydrophobicContact CG2-CE1 3.69Å; I40-F53 HydrophobicContact CG2-CZ 3.81Å; I40-F53 PolarHBondContact N-O 3.34Å; I40-F53 PolarHBondContact O-N 2.85Å; I40-T55 HydrophobicContact CD1-CG2 4.13Å; I40-T55 HydrophobicContact CG1-CG2 3.82Å; I40-I72 HydrophobicContact CD1-CG2 3.9Å; I40-L81 HydrophobicContact CG1-CD2 4.47Å; I40-L81 HydrophobicContact CG2-CD2 3.95Å
41	L	97.8	Very high	95.5	Very high	13 Å²	13	34.7 Å²	34.7	7%	0.068	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.8	168.7	-50.2	-174.5	0	0	0	108.2	V10 A32 V33 V39 Y43 K52	V10-L41 HydrophobicContact CG2-CD1 4Å; A32-L41 WeakPolarHBondContact CA-O 3.46Å; V33-L41 HydrophobicContact CB-CB 4.36Å; V33-L41 PolarHBondContact N-O 3.12Å; V33-L41 PolarHBondContact O-N 3.47Å; V39-L41 HydrophobicContact CG1-CD2 3.94Å; L41-Y43 HydrophobicContact CB-CD2 4.36Å; L41-Y43 HydrophobicContact CB-CE2 3.64Å; L41-Y43 HydrophobicContact CD1-CE2 4.26Å; L41-K52 HydrophobicContact CD2-CB 3.83Å
42	L	97.7	Very high	95.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.7	174.7	-60	179.1	0	0	0	110	L31 A32 I40 R50 D51 F53 L95 W99	L31-L42 WeakPolarHBondContact O-CA 3.37Å; A32-L42 HydrophobicContact CB-CD2 3.72Å; I40-L42 HydrophobicContact CG2-CD2 3.92Å; I40-L42 HydrophobicContact CG2-CG 4.44Å; L42-R50 PolarHBondContact O-N 3.18Å; L42-D51 HydrophobicContact CB-CB 4.25Å; L42-D51 HydrophobicContact CD1-CB 4.31Å; L42-D51 PolarHBondContact N-O 2.9Å; L42-D51 PolarHBondContact O-N 2.94Å; L42-F53 HydrophobicContact CD1-CD1 4.49Å; L42-F53 HydrophobicContact CD1-CE1 4.22Å; L42-F53 HydrophobicContact CG-CE1 4.45Å; L42-L95 HydrophobicContact CD1-CD1 4.27Å; L42-L95 HydrophobicContact CD1-CD2 4.32Å; L42-W99 HydrophobicContact CB-CH2 4.24Å; L42-W99 HydrophobicContact CB-CZ3 3.75Å; L42-W99 HydrophobicContact CD1-CZ3 4.23Å
43	Y	97.4	Very high	95.3	Very high	9 Å²	9	42 Å²	42	4%	0.035	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	153.8	174.2	-60.9	-101	0	0	0	109.5	L9 V10 R30 L31 V33 L41 G47 E48 K49	L9-Y43 HydrophobicContact CB-CD1 4.4Å; L9-Y43 HydrophobicContact CB-CE1 3.86Å; L9-Y43 HydrophobicContact CD2-CD1 4.14Å; L9-Y43 HydrophobicContact CD2-CE1 4.29Å; L9-Y43 PolarHBondContact O-OH 3.3Å; V10-Y43 WeakPolarHBondContact CG2-OH 3.25Å; R30-Y43 CarbonylContact C-O 3.55Å; R30-Y43 WeakPolarHBondContact CA-O 3.45Å; L31-Y43 PolarHBondContact N-O 2.76Å; L31-Y43 PolarHBondContact O-N 3.33Å; V33-Y43 HydrophobicContact CB-CE2 4.35Å; V33-Y43 HydrophobicContact CG2-CD2 4.16Å; V33-Y43 HydrophobicContact CG2-CE2 4.05Å; L41-Y43 HydrophobicContact CB-CD2 4.36Å; L41-Y43 HydrophobicContact CB-CE2 3.64Å; L41-Y43 HydrophobicContact CD1-CE2 4.26Å; Y43-G47 WeakPolarHBondContact CD1-O 3.24Å; Y43-E48 CarbonylContact C-O 3.44Å; Y43-E48 VanDerWaalsContact CA-O 3.24Å; Y43-E48 WeakPolarHBondContact CA-O 3.21Å; Y43-K49 HydrophobicContact CD1-CB 3.87Å; Y43-K49 HydrophobicContact CE1-CB 3.73Å; Y43-K49 HydrophobicContact CE1-CG 4.29Å
44	D	94.5	Very high	95.1	Very high	15 Å²	15	47.7 Å²	47.7	8%	0.08	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-178.4	166.6	70	21.3	0	0	0	112.4	S29 S46 G47 E48 R50 W99	S29-D44 WeakPolarHBondContact O-CA 3.29Å; D44-S46 PolarHBondContact O-N 3.49Å; D44-S46 WeakPolarHBondContact OD1-CA 3.37Å; D44-S46 WeakPolarHBondContact OD1-CB 3.42Å; D44-S46 PolarHBondContact OD1-N 3.32Å; D44-S46 PolarHBondContact OD1-OG 2.89Å; D44-G47 PolarHBondContact O-N 2.9Å; D44-G47 PolarHBondContact OD1-N 3.5Å; D44-E48 PolarHBondContact N-O 2.87Å; D44-E48 PolarHBondContact OD1-N 3.43Å; D44-R50 HydrophobicContact CB-CG 3.96Å; D44-R50 IonicContact OD2-CZ 3.63Å; D44-R50 IonicContact OD2-NE 2.7Å; D44-R50 PolarHBondContact OD2-NE 2.9Å; D44-R50 IonicContact OD2-NH2 2.71Å; D44-R50 PolarHBondContact OD2-NH2 2.88Å; D44-W99 HydrophobicContact CB-CZ2 3.85Å
45	E	89.9	Confident	94.9	Very high	75 Å²	75	48.2 Å²	48.2	35%	0.35	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.2	178.7	62.4	178.1	-128.8	0	0	116.1	S29 G47 R332	S29-E45 PolarHBondContact O-N 3.2Å; E45-G47 VanDerWaalsContact C-N 3.32Å; E45-R332 IonicContact OE1-NH1 3.55Å; E45-R332 PolarHBondContact OE1-NH1 3.34Å; E45-R332 IonicContact OE2-CZ 3.72Å; E45-R332 IonicContact OE2-NH1 3.67Å; E45-R332 PolarHBondContact OE2-NH1 3.49Å; E45-R332 IonicContact OE2-NH2 3.9Å; E45-R332 PolarHBondContact OE2-NH2 2.97Å
46	S	90.1	Very high	94.7	Very high	48 Å²	48	53 Å²	53	34%	0.336	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-6.5	173.3	77.7	0	0	0	0	112.5	R7 D44 E48	R7-S46 VanDerWaalsContact CZ-O 3.25Å; R7-S46 PolarHBondContact NE-O 2.81Å; R7-S46 PolarHBondContact NH1-O 2.85Å; D44-S46 PolarHBondContact O-N 3.49Å; D44-S46 WeakPolarHBondContact OD1-CA 3.37Å; D44-S46 WeakPolarHBondContact OD1-CB 3.42Å; D44-S46 PolarHBondContact OD1-N 3.32Å; D44-S46 PolarHBondContact OD1-OG 2.89Å; S46-E48 VanDerWaalsContact C-N 3.34Å; S46-E48 PolarHBondContact OG-N 2.9Å
47	G	92.7	Very high	94.5	Very high	10 Å²	10	52.1 Å²	52.1	10%	0.103	25%	0.254	C	S	.	.	S	Bend	trans	78.5	15.7	-172.7	0	0	0	0	0	113.5	L9 Y43 D44 E45	L9-G47 WeakPolarHBondContact CD2-O 3.22Å; Y43-G47 WeakPolarHBondContact CD1-O 3.24Å; D44-G47 PolarHBondContact O-N 2.9Å; D44-G47 PolarHBondContact OD1-N 3.5Å; E45-G47 VanDerWaalsContact C-N 3.32Å
48	E	95.1	Very high	94.2	Very high	98 Å²	98	49.5 Å²	49.5	46%	0.458	24%	0.239	S	C	.	.			trans	-78.9	132	168.8	-76	-168.2	170.3	0	0	110.1	Y43 D44 S46 R50	Y43-E48 CarbonylContact C-O 3.44Å; Y43-E48 VanDerWaalsContact CA-O 3.24Å; Y43-E48 WeakPolarHBondContact CA-O 3.21Å; D44-E48 PolarHBondContact N-O 2.87Å; D44-E48 PolarHBondContact OD1-N 3.43Å; S46-E48 VanDerWaalsContact C-N 3.34Å; S46-E48 PolarHBondContact OG-N 2.9Å; E48-R50 PolarHBondContact O-N 3.13Å; E48-R50 IonicContact OE2-CZ 3.46Å; E48-R50 IonicContact OE2-NH1 3.39Å; E48-R50 PolarHBondContact OE2-NH1 2.87Å; E48-R50 IonicContact OE2-NH2 3.23Å; E48-R50 PolarHBondContact OE2-NH2 2.91Å
49	K	96.4	Very high	93.3	Very high	104 Å²	104	53 Å²	53	45%	0.452	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	109.3	176.7	-175.9	175.6	-178.8	166.5	0	110	Y43	Y43-K49 HydrophobicContact CD1-CB 3.87Å; Y43-K49 HydrophobicContact CE1-CB 3.73Å; Y43-K49 HydrophobicContact CE1-CG 4.29Å
50	R	96.1	Very high	91.8	Very high	120 Å²	120	56.5 Å²	56.5	45%	0.453	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-30.4	-177.7	-65.6	-65.3	-177.5	-151.6	-10.1	113.5	L42 D44 E48 W99	L42-R50 PolarHBondContact O-N 3.18Å; D44-R50 HydrophobicContact CB-CG 3.96Å; D44-R50 IonicContact OD2-CZ 3.63Å; D44-R50 IonicContact OD2-NE 2.7Å; D44-R50 PolarHBondContact OD2-NE 2.9Å; D44-R50 IonicContact OD2-NH2 2.71Å; D44-R50 PolarHBondContact OD2-NH2 2.88Å; E48-R50 PolarHBondContact O-N 3.13Å; E48-R50 IonicContact OE2-CZ 3.46Å; E48-R50 IonicContact OE2-NH1 3.39Å; E48-R50 PolarHBondContact OE2-NH1 2.87Å; E48-R50 IonicContact OE2-NH2 3.23Å; E48-R50 PolarHBondContact OE2-NH2 2.91Å; R50-W99 HydrophobicContact CB-CD2 3.62Å; R50-W99 HydrophobicContact CB-CE3 3.43Å; R50-W99 VanDerWaalsContact CB-CE3 3.43Å; R50-W99 HydrophobicContact CB-CG 4.34Å; R50-W99 HydrophobicContact CB-CH2 3.81Å; R50-W99 HydrophobicContact CB-CZ2 3.99Å; R50-W99 HydrophobicContact CB-CZ3 3.54Å; R50-W99 HydrophobicContact CG-CD2 3.96Å; R50-W99 HydrophobicContact CG-CE3 4.23Å; R50-W99 HydrophobicContact CG-CH2 4.1Å; R50-W99 HydrophobicContact CG-CZ2 3.82Å; R50-W99 HydrophobicContact CG-CZ3 4.3Å
51	D	95.3	Very high	90.1	Very high	46 Å²	46	66.3 Å²	66.3	25%	0.246	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	171.6	-177.5	-154.9	-6.5	0	0	0	113.3	L42 K103	L42-D51 HydrophobicContact CB-CB 4.25Å; L42-D51 HydrophobicContact CD1-CB 4.31Å; L42-D51 PolarHBondContact N-O 2.9Å; L42-D51 PolarHBondContact O-N 2.94Å; D51-K103 WeakPolarHBondContact OD2-CD 3.49Å; D51-K103 WeakPolarHBondContact OD2-CE 3.34Å; D51-K103 IonicContact OD2-NZ 2.7Å; D51-K103 PolarHBondContact OD2-NZ 3.03Å
52	K	95.6	Very high	88	Confident	132 Å²	132	68.3 Å²	68.3	57%	0.574	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.5	148.4	167.3	64.9	-179.8	-177.1	177.9	0	111.4	V39 I40 L41	V39-K52 HydrophobicContact CG1-CB 4.27Å; I40-K52 CarbonylContact O-C 3.29Å; I40-K52 WeakPolarHBondContact O-CA 3.33Å; L41-K52 HydrophobicContact CD2-CB 3.83Å
53	F	95.8	Very high	85.9	Confident	23 Å²	23	77 Å²	77	10%	0.101	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149.9	169	65	-88.3	0	0	0	112.5	I40 L42 L81 Y93 L95 K103	I40-F53 HydrophobicContact CB-CD1 4.11Å; I40-F53 HydrophobicContact CB-CD2 4.34Å; I40-F53 HydrophobicContact CB-CE1 3.7Å; I40-F53 HydrophobicContact CB-CE2 3.96Å; I40-F53 HydrophobicContact CB-CG 4.42Å; I40-F53 HydrophobicContact CB-CZ 3.63Å; I40-F53 HydrophobicContact CG1-CD2 4.34Å; I40-F53 HydrophobicContact CG1-CE1 4.26Å; I40-F53 HydrophobicContact CG1-CE2 3.68Å; I40-F53 HydrophobicContact CG1-CZ 3.65Å; I40-F53 HydrophobicContact CG2-CD1 4.43Å; I40-F53 HydrophobicContact CG2-CE1 3.69Å; I40-F53 HydrophobicContact CG2-CZ 3.81Å; I40-F53 PolarHBondContact N-O 3.34Å; I40-F53 PolarHBondContact O-N 2.85Å; L42-F53 HydrophobicContact CD1-CD1 4.49Å; L42-F53 HydrophobicContact CD1-CE1 4.22Å; L42-F53 HydrophobicContact CG-CE1 4.45Å; F53-L81 HydrophobicContact CZ-CD2 4.02Å; F53-Y93 AromaticContact CD2-CD1 3.94Å; F53-Y93 HydrophobicContact CD2-CD1 3.94Å; F53-Y93 AromaticContact CD2-CE1 3.85Å; F53-Y93 HydrophobicContact CD2-CE1 3.85Å; F53-Y93 AromaticContact CE2-CD1 3.52Å; F53-Y93 HydrophobicContact CE2-CD1 3.52Å; F53-Y93 HydrophobicContact CE2-CD2 4.02Å; F53-Y93 AromaticContact CE2-CE1 3.66Å; F53-Y93 HydrophobicContact CE2-CE1 3.66Å; F53-Y93 HydrophobicContact CE2-CE2 4.15Å; F53-Y93 AromaticContact CE2-CG 3.71Å; F53-Y93 HydrophobicContact CE2-CG 3.71Å; F53-Y93 AromaticContact CE2-CZ 3.99Å; F53-Y93 HydrophobicContact CZ-CD1 4.21Å; F53-Y93 HydrophobicContact CZ-CD2 4.47Å; F53-Y93 HydrophobicContact CZ-CG 4.08Å; F53-L95 HydrophobicContact CE1-CD2 3.75Å; F53-L95 HydrophobicContact CZ-CD2 4.15Å; F53-K103 HydrophobicContact CD1-CG 4.28Å
54	N	94.1	Very high	84.1	Confident	119 Å²	119	85.9 Å²	85.9	64%	0.636	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	137.8	175.4	-60.1	-17.7	0	0	0	109.4
55	T	93.7	Very high	82.6	Confident	11 Å²	11	88.7 Å²	88.7	7%	0.067	45%	0.447	C	S	.	.			trans	-75.4	167.4	169.8	61.5	0	0	0	0	110.8	N38 I40 Y67 V69 V83 Y93	N38-T55 WeakPolarHBondContact CB-OG1 3.43Å; N38-T55 WeakPolarHBondContact O-CG2 3.46Å; N38-T55 PolarHBondContact O-N 3.17Å; N38-T55 VanDerWaalsContact O-N 3.17Å; N38-T55 PolarHBondContact O-OG1 3.41Å; I40-T55 HydrophobicContact CD1-CG2 4.13Å; I40-T55 HydrophobicContact CG1-CG2 3.82Å; T55-Y67 PolarHBondContact O-OH 2.86Å; T55-Y67 WeakPolarHBondContact OG1-CE2 3.48Å; T55-Y67 PolarHBondContact OG1-OH 2.9Å; T55-V69 HydrophobicContact CG2-CG2 4.1Å; T55-V83 HydrophobicContact CG2-CG1 3.87Å; T55-Y93 WeakPolarHBondContact CA-OH 3.37Å
56	K	91.1	Very high	82.4	Confident	120 Å²	120	90.8 Å²	90.8	52%	0.522	47%	0.47	S	S	.	.			trans	-115.6	149.1	178.5	-64.6	-168.3	-178.7	-176.3	0	110.2	Y67 Q85 F91 Y93 I105	K56-Y67 PolarHBondContact N-OH 2.83Å; K56-Q85 PolarHBondContact O-NE2 2.92Å; K56-Q85 PolarHBondContact O-OE1 2.89Å; K56-F91 WeakPolarHBondContact O-CE2 2.99Å; K56-Y93 PolarHBondContact N-OH 3.23Å; K56-I105 HydrophobicContact CB-CD1 4.46Å; K56-I105 HydrophobicContact CD-CD1 3.88Å; K56-I105 HydrophobicContact CG-CD1 4.26Å
57	S	90.3	Very high	82.5	Confident	17 Å²	17	90.3 Å²	90.3	12%	0.119	46%	0.461	C	S	.	.			trans	-72.5	160.9	165.6	47.8	0	0	0	0	111.2	D59 D87	S57-D59 VanDerWaalsContact C-N 3.25Å; S57-D59 PolarHBondContact O-N 3.16Å; S57-D59 PolarHBondContact OG-O 2.89Å; S57-D87 WeakPolarHBondContact CA-OD2 3.39Å
58	I	85.6	Confident	82.5	Confident	37 Å²	37	91 Å²	91	19%	0.19	47%	0.465	C	S	.	.	S	Bend	trans	-55.5	-42.9	171.9	-164.6	168.6	0	0	0	111.6	D87 S89 K108 V110	I58-D87 HydrophobicContact CG2-CB 4.1Å; I58-D87 PolarHBondContact N-OD2 2.83Å; I58-S89 WeakPolarHBondContact CB-OG 3.47Å; I58-K108 PolarHBondContact O-NZ 2.85Å; I58-V110 HydrophobicContact CD1-CG1 3.95Å; I58-V110 HydrophobicContact CD1-CG2 4.16Å
59	D	76.7	Confident	82.5	Confident	95 Å²	95	86.3 Å²	86.3	51%	0.508	44%	0.444	S	S	.	.			trans	-107.9	101.8	176.6	-70.1	-39.1	0	0	0	109.8	S57	S57-D59 VanDerWaalsContact C-N 3.25Å; S57-D59 PolarHBondContact O-N 3.16Å; S57-D59 PolarHBondContact OG-O 2.89Å
60	S	65.2	Low	82.3	Confident	93 Å²	93	85.5 Å²	85.5	65%	0.65	44%	0.44	S	S	*	.	S	Bend	trans	-94.3	10.9	177.5	75.7	0	0	0	0	113.6
61	K	60.2	Low	82.2	Confident	207 Å²	207	80.1 Å²	80.1	90%	0.9	42%	0.422	S	S	*	.	S	Bend	trans	-123.9	-12.8	-175.6	-70.6	-170.7	176.5	-174.9	0	114.5
62	G	54.4	Low	82.2	Confident	55 Å²	55	78.4 Å²	78.4	57%	0.567	41%	0.413	S	S	*	.	S	Bend	trans	-95.2	-168.3	173.3	0	0	0	0	0	111.9
63	E	54.6	Low	82.2	Confident	184 Å²	184	73.4 Å²	73.4	86%	0.86	39%	0.393	S	S	*	.	S	Bend	trans	-52.6	143.6	160.7	-65.3	-172.9	148.9	0	0	109.5	V65	E63-V65 VanDerWaalsContact C-N 3.32Å; E63-V65 PolarHBondContact O-N 3.17Å
64	K	58.7	Low	82.2	Confident	195 Å²	195	72.6 Å²	72.6	85%	0.848	39%	0.389	S	S	*	.			trans	-66	92.1	179.6	-72.9	-179.5	-179.7	174.5	0	109.5	S66	K64-S66 PolarHBondContact O-N 2.91Å
65	V	63.8	Low	82.2	Confident	74 Å²	74	66.9 Å²	66.9	45%	0.448	36%	0.359	S	S	.	.			trans	-53.4	116.5	168.6	-179.9	0	0	0	0	107.2	E63 Y67	E63-V65 VanDerWaalsContact C-N 3.32Å; E63-V65 PolarHBondContact O-N 3.17Å; V65-Y67 PolarHBondContact O-N 2.86Å
66	S	84.4	Confident	82	Confident	119 Å²	119	68.8 Å²	68.8	83%	0.832	37%	0.372	S	S	*	.			trans	-65.2	125	-178.5	-171.9	0	0	0	0	109.2	K64	K64-S66 PolarHBondContact O-N 2.91Å
67	Y	92.4	Very high	81.9	Confident	37 Å²	37	66.3 Å²	66.3	15%	0.145	36%	0.364	C	S	.	.			trans	-132.4	157.8	178.9	72.2	-88.4	0	0	0	110	N38 T55 K56 V65 V69 Q85 S86	N38-Y67 HydrophobicContact CB-CE2 3.91Å; N38-Y67 PolarHBondContact ND2-O 2.98Å; T55-Y67 PolarHBondContact O-OH 2.86Å; T55-Y67 WeakPolarHBondContact OG1-CE2 3.48Å; T55-Y67 PolarHBondContact OG1-OH 2.9Å; K56-Y67 PolarHBondContact N-OH 2.83Å; V65-Y67 PolarHBondContact O-N 2.86Å; Y67-V69 HydrophobicContact CE2-CG2 4.47Å; Y67-Q85 HydrophobicContact CD2-CB 4.29Å; Y67-Q85 HydrophobicContact CD2-CG 4.04Å; Y67-Q85 HydrophobicContact CE2-CG 4.27Å; Y67-S86 WeakPolarHBondContact CA-OG 3.29Å
68	A	92.6	Very high	82.1	Confident	24 Å²	24	65.7 Å²	65.7	20%	0.198	36%	0.359	C	S	.	.			trans	-122	136.7	168.5	0	0	0	0	0	108.9	N38 Q85 S86	N38-A68 WeakPolarHBondContact OD1-CA 3.5Å; A68-Q85 WeakPolarHBondContact O-CA 3.12Å; A68-S86 PolarHBondContact N-OG 2.83Å; A68-S86 PolarHBondContact O-N 3Å
69	V	95.3	Very high	82.5	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	138.4	160.8	176.5	0	0	0	0	108.2	Q20 C34 N38 T55 Y67 I72 V83 G84 Q85	Q20-V69 VanDerWaalsContact CB-O 3.31Å; Q20-V69 WeakPolarHBondContact CB-O 3.32Å; Q20-V69 WeakPolarHBondContact CG-O 3.47Å; Q20-V69 PolarHBondContact OE1-O 3.03Å; C34-V69 HydrophobicContact CB-CG1 4.33Å; C34-V69 VanDerWaalsContact SG-CB 3.54Å; N38-V69 HydrophobicContact CB-CG2 4.13Å; N38-V69 PolarHBondContact OD1-N 2.89Å; T55-V69 HydrophobicContact CG2-CG2 4.1Å; Y67-V69 HydrophobicContact CE2-CG2 4.47Å; V69-I72 HydrophobicContact CG1-CG2 3.73Å; V69-V83 HydrophobicContact CB-CG1 4.43Å; V69-V83 HydrophobicContact CG1-CG1 3.83Å; V69-V83 HydrophobicContact CG2-CG1 3.74Å; V69-G84 WeakPolarHBondContact CA-O 3.38Å; V69-Q85 HydrophobicContact CG2-CG 4.22Å
70	K	93	Very high	83.4	Confident	88 Å²	88	62.1 Å²	62.1	38%	0.383	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-17.8	179.8	-67.7	-60.9	175.4	-160.1	0	114.7	G84 V115	K70-G84 PolarHBondContact N-O 3.37Å; K70-V115 WeakPolarHBondContact CB-O 3.17Å; K70-V115 WeakPolarHBondContact CG-O 3.44Å
71	G	92.8	Very high	84.9	Confident	6 Å²	6	57.7 Å²	57.7	6%	0.062	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	143.5	170.7	0	0	0	0	0	110.9	G84	G71-G84 PolarHBondContact O-N 2.65Å
72	I	96.4	Very high	86.6	Confident	11 Å²	11	47.8 Å²	47.8	6%	0.056	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143	166.6	70.7	-171.3	0	0	0	109.1	S21 A23 A32 C34 I40 V69 L81 A82 V83	S21-I72 PolarHBondContact OG-N 3.09Å; S21-I72 VanDerWaalsContact OG-N 3.16Å; A23-I72 HydrophobicContact CB-CG1 3.98Å; A32-I72 HydrophobicContact CB-CD1 3.78Å; C34-I72 HydrophobicContact CB-CD1 4.23Å; C34-I72 HydrophobicContact CB-CG2 4.3Å; I40-I72 HydrophobicContact CD1-CG2 3.9Å; V69-I72 HydrophobicContact CG1-CG2 3.73Å; I72-L81 HydrophobicContact CB-CD1 4.39Å; I72-L81 HydrophobicContact CB-CD2 4.41Å; I72-L81 HydrophobicContact CB-CG 4.5Å; I72-A82 VanDerWaalsContact CA-O 3.28Å; I72-A82 WeakPolarHBondContact CA-O 3.46Å; I72-V83 HydrophobicContact CG2-CG1 4.43Å; I72-V83 HydrophobicContact CG2-CG2 4.21Å
73	V	95.3	Very high	88.6	Confident	26 Å²	26	45.2 Å²	45.2	16%	0.158	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	135.6	178.1	60.4	0	0	0	0	109.9	L81 A82 L118 W120	V73-L81 WeakPolarHBondContact O-CA 3.45Å; V73-A82 HydrophobicContact CG1-CB 3.96Å; V73-A82 PolarHBondContact N-O 3.14Å; V73-A82 PolarHBondContact O-N 3.31Å; V73-L118 HydrophobicContact CG1-CB 3.94Å; V73-L118 HydrophobicContact CG1-CD1 4.32Å; V73-W120 HydrophobicContact CB-CB 4.47Å; V73-W120 HydrophobicContact CG1-CB 3.82Å; V73-W120 HydrophobicContact CG1-CE3 4.43Å; V73-W120 HydrophobicContact CG2-CB 3.81Å
74	F	95.5	Very high	90.6	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	152.6	175	-82	-89.9	0	0	0	110.9	A23 R30 A32 K80 L81 L95	A23-F74 HydrophobicContact CB-CD2 4.12Å; A23-F74 HydrophobicContact CB-CE2 4.5Å; A23-F74 WeakPolarHBondContact O-CE2 3.43Å; R30-F74 HydrophobicContact CB-CE1 4.25Å; R30-F74 HydrophobicContact CB-CZ 3.85Å; A32-F74 HydrophobicContact CB-CE2 3.58Å; A32-F74 HydrophobicContact CB-CZ 3.9Å; F74-K80 WeakPolarHBondContact CA-O 3.41Å; F74-K80 WeakPolarHBondContact CD1-O 3.24Å; F74-L81 HydrophobicContact CD1-CD1 4.13Å; F74-L81 HydrophobicContact CD2-CD1 3.68Å; F74-L81 HydrophobicContact CE1-CD1 4.26Å; F74-L81 HydrophobicContact CE2-CD1 3.81Å; F74-L81 HydrophobicContact CG-CD1 3.85Å; F74-L81 HydrophobicContact CZ-CD1 4.11Å; F74-L95 HydrophobicContact CD1-CD1 4.38Å; F74-L95 HydrophobicContact CE1-CD1 3.63Å; F74-L95 HydrophobicContact CZ-CD1 4.3Å
75	S	93.6	Very high	92.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.158	C	C	.	.			trans	-65.5	152.4	163.5	47.7	0	0	0	0	111.1	P26 D77 S78 T79 K80 E123	P26-S75 WeakPolarHBondContact CG-O 3.34Å; S75-D77 VanDerWaalsContact CB-OD1 3.27Å; S75-D77 WeakPolarHBondContact CB-OD1 3.49Å; S75-D77 PolarHBondContact O-N 3.06Å; S75-D77 PolarHBondContact OG-OD1 2.89Å; S75-S78 WeakPolarHBondContact O-CA 3.41Å; S75-S78 PolarHBondContact O-N 2.8Å; S75-T79 PolarHBondContact OG-N 2.81Å; S75-K80 PolarHBondContact N-O 3.11Å; S75-K80 WeakPolarHBondContact OG-CA 3.4Å; S75-K80 WeakPolarHBondContact OG-CB 3.49Å; S75-K80 PolarHBondContact OG-N 3Å; S75-K80 PolarHBondContact OG-O 3.46Å; S75-E123 WeakPolarHBondContact CB-OE1 3.03Å
76	P	90.1	Very high	93.7	Very high	51 Å²	51	25.4 Å²	25.4	33%	0.331	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-37.1	171	-30.4	36	0	0	0	114.1	P26 S78 E123	P26-P76 WeakPolarHBondContact CB-O 3.35Å; P76-S78 VanDerWaalsContact C-N 3.26Å; P76-S78 PolarHBondContact O-N 3Å; P76-E123 HydrophobicContact CB-CG 4.34Å; P76-E123 VanDerWaalsContact CD-OE1 3.24Å; P76-E123 WeakPolarHBondContact CD-OE1 3.33Å
77	D	89.3	Confident	94.1	Very high	67 Å²	67	20.5 Å²	20.5	36%	0.358	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	0.2	176.1	79.5	-7.8	0	0	0	115.2	S75 T79 K80 E123	S75-D77 VanDerWaalsContact CB-OD1 3.27Å; S75-D77 WeakPolarHBondContact CB-OD1 3.49Å; S75-D77 PolarHBondContact O-N 3.06Å; S75-D77 PolarHBondContact OG-OD1 2.89Å; D77-T79 HydrophobicContact CB-CG2 4.44Å; D77-T79 WeakPolarHBondContact O-CG2 3.43Å; D77-T79 PolarHBondContact O-N 2.68Å; D77-T79 PolarHBondContact OD1-N 3.28Å; D77-T79 PolarHBondContact OD1-OG1 3.16Å; D77-T79 PolarHBondContact OD2-OG1 2.66Å; D77-K80 IonicContact OD1-NZ 3.12Å; D77-K80 PolarHBondContact OD1-NZ 2.74Å; D77-K80 IonicContact OD2-NZ 2.68Å; D77-K80 PolarHBondContact OD2-NZ 3.19Å; D77-E123 WeakPolarHBondContact CB-OE1 3.15Å; D77-E123 PolarHBondContact N-OE1 3.27Å
78	S	93.3	Very high	94	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.028	12%	0.116	C	C	.	.	S	Bend	trans	59.1	1.3	-175.9	-55.3	0	0	0	0	116.7	P26 D27 S75 P76	P26-S78 VanDerWaalsContact CD-OG 3.31Å; P26-S78 WeakPolarHBondContact CD-OG 3.31Å; D27-S78 WeakPolarHBondContact CB-OG 3.31Å; D27-S78 VanDerWaalsContact CG-CB 3.46Å; D27-S78 PolarHBondContact N-OG 2.88Å; D27-S78 PolarHBondContact OD1-OG 2.8Å; S75-S78 WeakPolarHBondContact O-CA 3.41Å; S75-S78 PolarHBondContact O-N 2.8Å; P76-S78 VanDerWaalsContact C-N 3.26Å; P76-S78 PolarHBondContact O-N 3Å
79	T	94.5	Very high	94	Very high	24 Å²	24	19 Å²	19	15%	0.147	11%	0.107	C	C	.	.	S	Bend	trans	-85.2	-9.3	-176.1	75.6	0	0	0	0	114	S75 D77 L95 G96 Q97	S75-T79 PolarHBondContact OG-N 2.81Å; D77-T79 HydrophobicContact CB-CG2 4.44Å; D77-T79 WeakPolarHBondContact O-CG2 3.43Å; D77-T79 PolarHBondContact O-N 2.68Å; D77-T79 PolarHBondContact OD1-N 3.28Å; D77-T79 PolarHBondContact OD1-OG1 3.16Å; D77-T79 PolarHBondContact OD2-OG1 2.66Å; T79-L95 WeakPolarHBondContact O-CA 3.43Å; T79-L95 PolarHBondContact O-N 2.87Å; T79-G96 PolarHBondContact O-N 2.93Å; T79-Q97 HydrophobicContact CG2-CG 4.01Å
80	K	95.5	Very high	94	Very high	33 Å²	33	19 Å²	19	14%	0.143	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	158.2	-173.2	-37.2	175	-159.7	74	0	111.1	F74 S75 D77 V92 Y93 W120 E123	F74-K80 WeakPolarHBondContact CA-O 3.41Å; F74-K80 WeakPolarHBondContact CD1-O 3.24Å; S75-K80 PolarHBondContact N-O 3.11Å; S75-K80 WeakPolarHBondContact OG-CA 3.4Å; S75-K80 WeakPolarHBondContact OG-CB 3.49Å; S75-K80 PolarHBondContact OG-N 3Å; S75-K80 PolarHBondContact OG-O 3.46Å; D77-K80 IonicContact OD1-NZ 3.12Å; D77-K80 PolarHBondContact OD1-NZ 2.74Å; D77-K80 IonicContact OD2-NZ 2.68Å; D77-K80 PolarHBondContact OD2-NZ 3.19Å; K80-V92 HydrophobicContact CB-CG1 4.11Å; K80-V92 HydrophobicContact CD-CG1 4.48Å; K80-Y93 CarbonylContact C-O 3.56Å; K80-Y93 WeakPolarHBondContact CA-O 3.43Å; K80-W120 HydrophobicContact CB-CH2 3.58Å; K80-W120 HydrophobicContact CB-CZ3 3.99Å; K80-W120 HydrophobicContact CD-CH2 3.91Å; K80-W120 HydrophobicContact CD-CZ2 4.2Å; K80-W120 HydrophobicContact CG-CH2 4.31Å; K80-E123 IonicContact NZ-OE1 2.92Å; K80-E123 IonicContact NZ-OE2 3.97Å; K80-E123 PolarHBondContact NZ-OE2 3.39Å
81	L	96.9	Very high	94.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	122.4	174.2	-170.7	82	0	0	0	109.9	A32 I40 F53 I72 V73 F74 V83 Y93 L95	A32-L81 HydrophobicContact CB-CD1 4.08Å; A32-L81 HydrophobicContact CB-CD2 4.27Å; I40-L81 HydrophobicContact CG1-CD2 4.47Å; I40-L81 HydrophobicContact CG2-CD2 3.95Å; F53-L81 HydrophobicContact CZ-CD2 4.02Å; I72-L81 HydrophobicContact CB-CD1 4.39Å; I72-L81 HydrophobicContact CB-CD2 4.41Å; I72-L81 HydrophobicContact CB-CG 4.5Å; V73-L81 WeakPolarHBondContact O-CA 3.45Å; F74-L81 HydrophobicContact CD1-CD1 4.13Å; F74-L81 HydrophobicContact CD2-CD1 3.68Å; F74-L81 HydrophobicContact CE1-CD1 4.26Å; F74-L81 HydrophobicContact CE2-CD1 3.81Å; F74-L81 HydrophobicContact CG-CD1 3.85Å; F74-L81 HydrophobicContact CZ-CD1 4.11Å; L81-V83 HydrophobicContact CD2-CG2 4.11Å; L81-V83 HydrophobicContact CG-CG2 4.42Å; L81-Y93 PolarHBondContact N-O 2.85Å; L81-Y93 PolarHBondContact O-N 2.67Å; L81-L95 HydrophobicContact CB-CD1 3.89Å; L81-L95 HydrophobicContact CB-CG 4.25Å
82	A	96.3	Very high	94.2	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	138.1	171.2	0	0	0	0	0	109.5	I72 V73 V90 F91 V92 L118 W120 I126	I72-A82 VanDerWaalsContact CA-O 3.28Å; I72-A82 WeakPolarHBondContact CA-O 3.46Å; V73-A82 HydrophobicContact CG1-CB 3.96Å; V73-A82 PolarHBondContact N-O 3.14Å; V73-A82 PolarHBondContact O-N 3.31Å; A82-V90 HydrophobicContact CB-CG1 4.47Å; A82-F91 CarbonylContact C-O 3.54Å; A82-F91 WeakPolarHBondContact CA-O 3.26Å; A82-V92 HydrophobicContact CB-CG2 4.34Å; A82-L118 HydrophobicContact CB-CD1 4.1Å; A82-W120 HydrophobicContact CB-CE3 3.57Å; A82-W120 HydrophobicContact CB-CZ3 3.64Å; A82-I126 HydrophobicContact CB-CD1 4Å
83	V	97.1	Very high	94.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	114.5	-176.1	179.1	0	0	0	0	108.2	T55 V69 I72 L81 Q85 V90 F91 Y93	T55-V83 HydrophobicContact CG2-CG1 3.87Å; V69-V83 HydrophobicContact CB-CG1 4.43Å; V69-V83 HydrophobicContact CG1-CG1 3.83Å; V69-V83 HydrophobicContact CG2-CG1 3.74Å; I72-V83 HydrophobicContact CG2-CG1 4.43Å; I72-V83 HydrophobicContact CG2-CG2 4.21Å; L81-V83 HydrophobicContact CD2-CG2 4.11Å; L81-V83 HydrophobicContact CG-CG2 4.42Å; V83-Q85 HydrophobicContact CG1-CG 4.22Å; V83-V90 WeakPolarHBondContact O-CA 3.39Å; V83-F91 PolarHBondContact N-O 2.85Å; V83-F91 PolarHBondContact O-N 3.16Å; V83-Y93 HydrophobicContact CB-CD2 4.39Å; V83-Y93 HydrophobicContact CB-CE2 4.1Å; V83-Y93 HydrophobicContact CG2-CD2 3.74Å; V83-Y93 HydrophobicContact CG2-CE2 3.8Å
84	G	95	Very high	94.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.2	-178.6	0	0	0	0	0	111	V69 K70 G71 L118	V69-G84 WeakPolarHBondContact CA-O 3.38Å; K70-G84 PolarHBondContact N-O 3.37Å; G71-G84 PolarHBondContact O-N 2.65Å; G84-L118 VanDerWaalsContact N-CD1 3.26Å
85	Q	95	Very high	94.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	152.8	-167.6	-67	171.8	-36.8	0	0	113.2	K56 Y67 A68 V69 V83 D87 C88 S89 F91 V115	K56-Q85 PolarHBondContact O-NE2 2.92Å; K56-Q85 PolarHBondContact O-OE1 2.89Å; Y67-Q85 HydrophobicContact CD2-CB 4.29Å; Y67-Q85 HydrophobicContact CD2-CG 4.04Å; Y67-Q85 HydrophobicContact CE2-CG 4.27Å; A68-Q85 WeakPolarHBondContact O-CA 3.12Å; V69-Q85 HydrophobicContact CG2-CG 4.22Å; V83-Q85 HydrophobicContact CG1-CG 4.22Å; Q85-D87 WeakPolarHBondContact CB-OD1 3.35Å; Q85-D87 PolarHBondContact O-N 2.86Å; Q85-D87 PolarHBondContact OE1-OD1 2.89Å; Q85-C88 PolarHBondContact O-N 3.4Å; Q85-S89 PolarHBondContact N-O 3.01Å; Q85-S89 PolarHBondContact OE1-OG 2.99Å; Q85-F91 VanDerWaalsContact OE1-CE2 3.25Å; Q85-V115 WeakPolarHBondContact O-CB 3.15Å; Q85-V115 PolarHBondContact O-N 2.81Å; Q85-V115 VanDerWaalsContact O-N 3.13Å
86	S	93.3	Very high	94	Very high	37 Å²	37	20.4 Å²	20.4	26%	0.259	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-15.7	178.1	67.7	0	0	0	0	114.1	Y67 A68 C88 P114	Y67-S86 WeakPolarHBondContact CA-OG 3.29Å; A68-S86 PolarHBondContact N-OG 2.83Å; A68-S86 PolarHBondContact O-N 3Å; S86-C88 PolarHBondContact O-N 2.9Å; S86-P114 WeakPolarHBondContact O-CB 3.32Å; S86-P114 WeakPolarHBondContact O-CG 3.46Å
87	D	92.2	Very high	93.8	Very high	17 Å²	17	25.8 Å²	25.8	9%	0.091	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	19.2	174.4	69.8	-2.3	0	0	0	113.4	S57 I58 Q85 S89	S57-D87 WeakPolarHBondContact CA-OD2 3.39Å; I58-D87 HydrophobicContact CG2-CB 4.1Å; I58-D87 PolarHBondContact N-OD2 2.83Å; Q85-D87 WeakPolarHBondContact CB-OD1 3.35Å; Q85-D87 PolarHBondContact O-N 2.86Å; Q85-D87 PolarHBondContact OE1-OD1 2.89Å; D87-S89 VanDerWaalsContact C-N 3.28Å; D87-S89 PolarHBondContact O-N 2.87Å; D87-S89 VanDerWaalsContact OD1-CB 3.26Å; D87-S89 WeakPolarHBondContact OD1-CB 3.44Å; D87-S89 PolarHBondContact OD1-N 2.94Å; D87-S89 VanDerWaalsContact OD1-N 3.11Å; D87-S89 PolarHBondContact OD1-OG 3.44Å
88	C	91.9	Very high	93.9	Very high	29 Å²	29	29.5 Å²	29.5	20%	0.196	14%	0.141	C	C	.	.	S	Bend	trans	68.3	16.7	-177.6	-45.8	0	0	0	0	114.6	Q85 S86 Q111 G113 P114	Q85-C88 PolarHBondContact O-N 3.4Å; S86-C88 PolarHBondContact O-N 2.9Å; C88-Q111 HydrophobicContact CB-CB 4.14Å; C88-Q111 WeakPolarHBondContact CB-O 3.24Å; C88-Q111 VanDerWaalsContact O-CB 3.28Å; C88-Q111 WeakPolarHBondContact O-CB 3.48Å; C88-Q111 PolarHBondContact O-N 2.92Å; C88-G113 VanDerWaalsContact SG-CA 3.58Å; C88-P114 VanDerWaalsContact SG-N 3.43Å
89	S	92.2	Very high	93.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	148.9	172.6	-46.6	0	0	0	0	113.4	I58 Q85 D87 V115	I58-S89 WeakPolarHBondContact CB-OG 3.47Å; Q85-S89 PolarHBondContact N-O 3.01Å; Q85-S89 PolarHBondContact OE1-OG 2.99Å; D87-S89 VanDerWaalsContact C-N 3.28Å; D87-S89 PolarHBondContact O-N 2.87Å; D87-S89 VanDerWaalsContact OD1-CB 3.26Å; D87-S89 WeakPolarHBondContact OD1-CB 3.44Å; D87-S89 PolarHBondContact OD1-N 2.94Å; D87-S89 VanDerWaalsContact OD1-N 3.11Å; D87-S89 PolarHBondContact OD1-OG 3.44Å; S89-V115 WeakPolarHBondContact O-CG2 3.37Å
90	V	94.2	Very high	93.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	118.8	147.5	-176.4	0	0	0	0	108.3	A82 V83 F109 Q111 V115 L118 V128	A82-V90 HydrophobicContact CB-CG1 4.47Å; V83-V90 WeakPolarHBondContact O-CA 3.39Å; V90-F109 HydrophobicContact CB-CB 4.28Å; V90-F109 HydrophobicContact CB-CD2 4.3Å; V90-F109 HydrophobicContact CG1-CD2 4.39Å; V90-F109 PolarHBondContact N-O 2.8Å; V90-F109 PolarHBondContact O-N 3.02Å; V90-Q111 HydrophobicContact CG2-CG 4.4Å; V90-V115 HydrophobicContact CG2-CG2 3.84Å; V90-L118 HydrophobicContact CG1-CD1 4.12Å; V90-L118 HydrophobicContact CG1-CD2 4.22Å; V90-L118 HydrophobicContact CG2-CD2 3.94Å; V90-V128 HydrophobicContact CG2-CG1 3.85Å; V90-V128 HydrophobicContact CG2-CG2 4Å
91	F	95	Very high	93.3	Very high	9 Å²	9	37.9 Å²	37.9	4%	0.039	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	138.6	174.4	-74.3	-74	0	0	0	110.5	K56 A82 V83 Q85 Y93 I105 K108	K56-F91 WeakPolarHBondContact O-CE2 2.99Å; A82-F91 CarbonylContact C-O 3.54Å; A82-F91 WeakPolarHBondContact CA-O 3.26Å; V83-F91 PolarHBondContact N-O 2.85Å; V83-F91 PolarHBondContact O-N 3.16Å; Q85-F91 VanDerWaalsContact OE1-CE2 3.25Å; F91-Y93 HydrophobicContact CB-CD2 4.28Å; F91-Y93 HydrophobicContact CB-CE2 3.65Å; F91-I105 HydrophobicContact CD1-CD1 3.83Å; F91-I105 HydrophobicContact CD1-CG1 4.34Å; F91-I105 HydrophobicContact CD1-CG2 3.65Å; F91-I105 HydrophobicContact CE1-CD1 4.04Å; F91-I105 HydrophobicContact CE1-CG2 4.29Å; F91-I105 HydrophobicContact CG-CD1 4.36Å; F91-K108 HydrophobicContact CD1-CB 3.91Å; F91-K108 HydrophobicContact CD1-CD 4.44Å; F91-K108 HydrophobicContact CD1-CG 3.87Å; F91-K108 HydrophobicContact CE1-CB 3.86Å; F91-K108 HydrophobicContact CE1-CD 3.57Å; F91-K108 HydrophobicContact CE1-CG 3.48Å; F91-K108 VanDerWaalsContact CE1-CG 3.48Å; F91-K108 HydrophobicContact CZ-CD 3.98Å; F91-K108 HydrophobicContact CZ-CG 4.1Å
92	V	95.7	Very high	93.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.2	172.5	-176.6	0	0	0	0	108.9	K80 A82 I105 C106 N107 F109 W120 I126 L140	K80-V92 HydrophobicContact CB-CG1 4.11Å; K80-V92 HydrophobicContact CD-CG1 4.48Å; A82-V92 HydrophobicContact CB-CG2 4.34Å; V92-I105 CarbonylContact O-C 3.58Å; V92-I105 WeakPolarHBondContact O-CA 3.32Å; V92-C106 PolarHBondContact O-N 3.45Å; V92-N107 HydrophobicContact CB-CB 3.96Å; V92-N107 HydrophobicContact CG2-CB 4.03Å; V92-N107 PolarHBondContact N-O 3.03Å; V92-F109 HydrophobicContact CG2-CD2 4.49Å; V92-F109 HydrophobicContact CG2-CE2 3.88Å; V92-W120 HydrophobicContact CG1-CH2 3.5Å; V92-W120 HydrophobicContact CG1-CZ3 4.02Å; V92-W120 HydrophobicContact CG2-CH2 4.49Å; V92-I126 HydrophobicContact CG2-CD1 3.72Å; V92-L140 HydrophobicContact CG2-CD2 4.11Å
93	Y	96	Very high	92.9	Very high	9 Å²	9	48.7 Å²	48.7	4%	0.035	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121.2	176.6	-68.3	-98.6	0	0	0	109.1	F53 T55 K56 K80 L81 V83 F91 L95 V104 I105	F53-Y93 AromaticContact CD2-CD1 3.94Å; F53-Y93 HydrophobicContact CD2-CD1 3.94Å; F53-Y93 AromaticContact CD2-CE1 3.85Å; F53-Y93 HydrophobicContact CD2-CE1 3.85Å; F53-Y93 AromaticContact CE2-CD1 3.52Å; F53-Y93 HydrophobicContact CE2-CD1 3.52Å; F53-Y93 HydrophobicContact CE2-CD2 4.02Å; F53-Y93 AromaticContact CE2-CE1 3.66Å; F53-Y93 HydrophobicContact CE2-CE1 3.66Å; F53-Y93 HydrophobicContact CE2-CE2 4.15Å; F53-Y93 AromaticContact CE2-CG 3.71Å; F53-Y93 HydrophobicContact CE2-CG 3.71Å; F53-Y93 AromaticContact CE2-CZ 3.99Å; F53-Y93 HydrophobicContact CZ-CD1 4.21Å; F53-Y93 HydrophobicContact CZ-CD2 4.47Å; F53-Y93 HydrophobicContact CZ-CG 4.08Å; T55-Y93 WeakPolarHBondContact CA-OH 3.37Å; K56-Y93 PolarHBondContact N-OH 3.23Å; K80-Y93 CarbonylContact C-O 3.56Å; K80-Y93 WeakPolarHBondContact CA-O 3.43Å; L81-Y93 PolarHBondContact N-O 2.85Å; L81-Y93 PolarHBondContact O-N 2.67Å; V83-Y93 HydrophobicContact CB-CD2 4.39Å; V83-Y93 HydrophobicContact CB-CE2 4.1Å; V83-Y93 HydrophobicContact CG2-CD2 3.74Å; V83-Y93 HydrophobicContact CG2-CE2 3.8Å; F91-Y93 HydrophobicContact CB-CD2 4.28Å; F91-Y93 HydrophobicContact CB-CE2 3.65Å; Y93-L95 PolarHBondContact O-N 2.93Å; Y93-V104 CarbonylContact C-O 3.58Å; Y93-V104 WeakPolarHBondContact CA-O 3.15Å; Y93-I105 HydrophobicContact CD1-CG1 3.88Å; Y93-I105 HydrophobicContact CE1-CD1 4.03Å; Y93-I105 HydrophobicContact CE1-CG1 3.49Å; Y93-I105 VanDerWaalsContact CE1-CG1 3.49Å; Y93-I105 HydrophobicContact CE2-CG1 4.35Å; Y93-I105 HydrophobicContact CG-CG1 4.45Å
94	R	95.5	Very high	92.8	Very high	136 Å²	136	51.2 Å²	51.2	51%	0.513	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	119	163.2	-175.5	179.1	-64.2	168.8	-0.2	107.6	K103 V104 C106	R94-K103 WeakPolarHBondContact O-CA 3.06Å; R94-V104 HydrophobicContact CB-CG2 4.06Å; R94-V104 PolarHBondContact N-O 2.81Å; R94-V104 PolarHBondContact O-N 3.12Å; R94-C106 HydrophobicContact CB-CB 4.47Å
95	L	94.9	Very high	92.7	Very high	1 Å²	1	54 Å²	54	1%	0.005	27%	0.265	C	S	.	.			trans	-96.2	-27	176.6	-59	-175.6	0	0	0	112.3	L42 F53 F74 T79 L81 Y93 D101 K103	L42-L95 HydrophobicContact CD1-CD1 4.27Å; L42-L95 HydrophobicContact CD1-CD2 4.32Å; F53-L95 HydrophobicContact CE1-CD2 3.75Å; F53-L95 HydrophobicContact CZ-CD2 4.15Å; F74-L95 HydrophobicContact CD1-CD1 4.38Å; F74-L95 HydrophobicContact CE1-CD1 3.63Å; F74-L95 HydrophobicContact CZ-CD1 4.3Å; T79-L95 WeakPolarHBondContact O-CA 3.43Å; T79-L95 PolarHBondContact O-N 2.87Å; L81-L95 HydrophobicContact CB-CD1 3.89Å; L81-L95 HydrophobicContact CB-CG 4.25Å; Y93-L95 PolarHBondContact O-N 2.93Å; L95-D101 WeakPolarHBondContact O-CB 3.31Å; L95-K103 HydrophobicContact CD2-CG 3.65Å
96	G	90.5	Very high	92.6	Very high	11 Å²	11	56.1 Å²	56.1	11%	0.113	28%	0.279	C	S	.	.			trans	81.5	179.7	-176.4	0	0	0	0	0	113.2	R30 T79 D101	R30-G96 VanDerWaalsContact CZ-O 3.29Å; R30-G96 PolarHBondContact NH1-O 3.46Å; R30-G96 PolarHBondContact NH2-O 2.88Å; T79-G96 PolarHBondContact O-N 2.93Å; G96-D101 VanDerWaalsContact CA-OD2 3.24Å; G96-D101 WeakPolarHBondContact CA-OD2 3.34Å
97	Q	86.7	Confident	92.5	Very high	164 Å²	164	56.4 Å²	56.4	77%	0.766	28%	0.278	S	S	*	.	S	Bend	trans	-89.1	-34.7	178.5	-72.5	-179.4	-8.6	0	0	111.6	R30 T79 D101	R30-Q97 PolarHBondContact NH2-O 2.87Å; T79-Q97 HydrophobicContact CG2-CG 4.01Å; Q97-D101 PolarHBondContact N-OD2 2.77Å
98	K	89.8	Confident	92.5	Very high	145 Å²	145	60.2 Å²	60.2	63%	0.63	29%	0.294	S	S	*	.	S	Bend	trans	-95.4	148.2	179.6	-62.1	-179	179.9	-178.7	0	110.6	S100 D101	K98-S100 WeakPolarHBondContact CB-OG 3.22Å; K98-S100 PolarHBondContact O-N 2.69Å; K98-D101 PolarHBondContact N-OD2 2.81Å; K98-D101 WeakPolarHBondContact O-CB 3.35Å; K98-D101 PolarHBondContact O-N 3.09Å
99	W	91.1	Very high	92.4	Very high	82 Å²	82	60 Å²	60	31%	0.311	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.3	175.2	-72.4	110.1	0	0	0	113.1	R30 L42 D44 R50 D101 K103	R30-W99 HydrophobicContact CB-CH2 4.15Å; R30-W99 HydrophobicContact CG-CH2 3.66Å; R30-W99 HydrophobicContact CG-CZ2 3.77Å; R30-W99 HydrophobicContact CG-CZ3 4.49Å; L42-W99 HydrophobicContact CB-CH2 4.24Å; L42-W99 HydrophobicContact CB-CZ3 3.75Å; L42-W99 HydrophobicContact CD1-CZ3 4.23Å; D44-W99 HydrophobicContact CB-CZ2 3.85Å; R50-W99 HydrophobicContact CB-CD2 3.62Å; R50-W99 HydrophobicContact CB-CE3 3.43Å; R50-W99 VanDerWaalsContact CB-CE3 3.43Å; R50-W99 HydrophobicContact CB-CG 4.34Å; R50-W99 HydrophobicContact CB-CH2 3.81Å; R50-W99 HydrophobicContact CB-CZ2 3.99Å; R50-W99 HydrophobicContact CB-CZ3 3.54Å; R50-W99 HydrophobicContact CG-CD2 3.96Å; R50-W99 HydrophobicContact CG-CE3 4.23Å; R50-W99 HydrophobicContact CG-CH2 4.1Å; R50-W99 HydrophobicContact CG-CZ2 3.82Å; R50-W99 HydrophobicContact CG-CZ3 4.3Å; W99-D101 VanDerWaalsContact C-N 3.29Å; W99-D101 PolarHBondContact O-N 2.79Å; W99-K103 PolarHBondContact O-NZ 3.42Å
100	S	89.7	Confident	92.3	Very high	102 Å²	102	64.2 Å²	64.2	71%	0.713	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.3	175.6	53.7	0	0	0	0	115.2	K98	K98-S100 WeakPolarHBondContact CB-OG 3.22Å; K98-S100 PolarHBondContact O-N 2.69Å
101	D	91.5	Very high	92	Very high	54 Å²	54	64.8 Å²	64.8	29%	0.289	32%	0.318	S	S	.	.	S	Bend	trans	-66.4	142.1	-171.5	-67	-19.8	0	0	0	111.3	L95 G96 Q97 K98 W99 K103	L95-D101 WeakPolarHBondContact O-CB 3.31Å; G96-D101 VanDerWaalsContact CA-OD2 3.24Å; G96-D101 WeakPolarHBondContact CA-OD2 3.34Å; Q97-D101 PolarHBondContact N-OD2 2.77Å; K98-D101 PolarHBondContact N-OD2 2.81Å; K98-D101 WeakPolarHBondContact O-CB 3.35Å; K98-D101 PolarHBondContact O-N 3.09Å; W99-D101 VanDerWaalsContact C-N 3.29Å; W99-D101 PolarHBondContact O-N 2.79Å; D101-K103 WeakPolarHBondContact O-CD 3.43Å; D101-K103 WeakPolarHBondContact O-CE 3.15Å; D101-K103 PolarHBondContact O-N 3.37Å; D101-K103 PolarHBondContact O-NZ 3.33Å
102	K	91.4	Very high	91.5	Very high	178 Å²	178	71.1 Å²	71.1	77%	0.774	35%	0.345	S	S	*	.			trans	-74.4	121.6	-175.6	-171.4	179.8	-179	174.2	0	110.9	V104	K102-V104 HydrophobicContact CD-CG1 4.17Å; K102-V104 HydrophobicContact CG-CG1 4Å; K102-V104 PolarHBondContact O-N 2.91Å
103	K	93.3	Very high	91	Very high	48 Å²	48	71.3 Å²	71.3	21%	0.209	35%	0.348	C	S	.	.			trans	-72.9	112.7	177.7	-70.2	84.9	-154.5	171.4	0	109.9	D51 F53 R94 L95 W99 D101	D51-K103 WeakPolarHBondContact OD2-CD 3.49Å; D51-K103 WeakPolarHBondContact OD2-CE 3.34Å; D51-K103 IonicContact OD2-NZ 2.7Å; D51-K103 PolarHBondContact OD2-NZ 3.03Å; F53-K103 HydrophobicContact CD1-CG 4.28Å; R94-K103 WeakPolarHBondContact O-CA 3.06Å; L95-K103 HydrophobicContact CD2-CG 3.65Å; W99-K103 PolarHBondContact O-NZ 3.42Å; D101-K103 WeakPolarHBondContact O-CD 3.43Å; D101-K103 WeakPolarHBondContact O-CE 3.15Å; D101-K103 PolarHBondContact O-N 3.37Å; D101-K103 PolarHBondContact O-NZ 3.33Å
104	V	93.8	Very high	90.8	Very high	54 Å²	54	73 Å²	73	33%	0.327	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.8	-177.4	-64.7	0	0	0	0	110.8	Y93 R94 K102 C106	Y93-V104 CarbonylContact C-O 3.58Å; Y93-V104 WeakPolarHBondContact CA-O 3.15Å; R94-V104 HydrophobicContact CB-CG2 4.06Å; R94-V104 PolarHBondContact N-O 2.81Å; R94-V104 PolarHBondContact O-N 3.12Å; K102-V104 HydrophobicContact CD-CG1 4.17Å; K102-V104 HydrophobicContact CG-CG1 4Å; K102-V104 PolarHBondContact O-N 2.91Å; V104-C106 PolarHBondContact O-N 3.22Å
105	I	94.1	Very high	90.6	Very high	58 Å²	58	66.6 Å²	66.6	30%	0.297	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	119.7	171	-64.6	168.6	0	0	0	107.3	K56 F91 V92 Y93 N107	K56-I105 HydrophobicContact CB-CD1 4.46Å; K56-I105 HydrophobicContact CD-CD1 3.88Å; K56-I105 HydrophobicContact CG-CD1 4.26Å; F91-I105 HydrophobicContact CD1-CD1 3.83Å; F91-I105 HydrophobicContact CD1-CG1 4.34Å; F91-I105 HydrophobicContact CD1-CG2 3.65Å; F91-I105 HydrophobicContact CE1-CD1 4.04Å; F91-I105 HydrophobicContact CE1-CG2 4.29Å; F91-I105 HydrophobicContact CG-CD1 4.36Å; V92-I105 CarbonylContact O-C 3.58Å; V92-I105 WeakPolarHBondContact O-CA 3.32Å; Y93-I105 HydrophobicContact CD1-CG1 3.88Å; Y93-I105 HydrophobicContact CE1-CD1 4.03Å; Y93-I105 HydrophobicContact CE1-CG1 3.49Å; Y93-I105 VanDerWaalsContact CE1-CG1 3.49Å; Y93-I105 HydrophobicContact CE2-CG1 4.35Å; Y93-I105 HydrophobicContact CG-CG1 4.45Å; I105-N107 WeakPolarHBondContact CG2-O 3.35Å
106	C	92.1	Very high	90.3	Very high	44 Å²	44	68 Å²	68	30%	0.297	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-24.5	176.3	61.9	0	0	0	0	113.5	V92 R94 V104	V92-C106 PolarHBondContact O-N 3.45Å; R94-C106 HydrophobicContact CB-CB 4.47Å; V104-C106 PolarHBondContact O-N 3.22Å
107	N	91.7	Very high	90.3	Very high	44 Å²	44	67.9 Å²	67.9	24%	0.235	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.5	173.2	-53.8	71.3	0	0	0	110.6	V92 I105 F109 L140	V92-N107 HydrophobicContact CB-CB 3.96Å; V92-N107 HydrophobicContact CG2-CB 4.03Å; V92-N107 PolarHBondContact N-O 3.03Å; I105-N107 WeakPolarHBondContact CG2-O 3.35Å; N107-F109 HydrophobicContact CB-CE2 3.85Å; N107-F109 HydrophobicContact CB-CZ 3.95Å; N107-L140 HydrophobicContact CB-CD2 4.3Å
108	K	92.3	Very high	90.4	Very high	97 Å²	97	61.2 Å²	61.2	42%	0.422	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	122.6	171.2	178.6	-174.9	-171.2	177.7	0	108	I58 F91	I58-K108 PolarHBondContact O-NZ 2.85Å; F91-K108 HydrophobicContact CD1-CB 3.91Å; F91-K108 HydrophobicContact CD1-CD 4.44Å; F91-K108 HydrophobicContact CD1-CG 3.87Å; F91-K108 HydrophobicContact CE1-CB 3.86Å; F91-K108 HydrophobicContact CE1-CD 3.57Å; F91-K108 HydrophobicContact CE1-CG 3.48Å; F91-K108 VanDerWaalsContact CE1-CG 3.48Å; F91-K108 HydrophobicContact CZ-CD 3.98Å; F91-K108 HydrophobicContact CZ-CG 4.1Å
109	F	90	Very high	90.4	Very high	24 Å²	24	56 Å²	56	11%	0.105	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.2	173.5	-52.6	-79.6	0	0	0	109.3	V90 V92 N107 I126 E138 Y139 L140	V90-F109 HydrophobicContact CB-CB 4.28Å; V90-F109 HydrophobicContact CB-CD2 4.3Å; V90-F109 HydrophobicContact CG1-CD2 4.39Å; V90-F109 PolarHBondContact N-O 2.8Å; V90-F109 PolarHBondContact O-N 3.02Å; V92-F109 HydrophobicContact CG2-CD2 4.49Å; V92-F109 HydrophobicContact CG2-CE2 3.88Å; N107-F109 HydrophobicContact CB-CE2 3.85Å; N107-F109 HydrophobicContact CB-CZ 3.95Å; F109-I126 HydrophobicContact CE2-CD1 4.2Å; F109-E138 HydrophobicContact CB-CG 3.99Å; F109-E138 HydrophobicContact CD1-CB 3.76Å; F109-E138 HydrophobicContact CD1-CG 4.03Å; F109-E138 HydrophobicContact CD2-CB 4.2Å; F109-E138 HydrophobicContact CD2-CG 4.47Å; F109-E138 HydrophobicContact CE1-CB 3.91Å; F109-E138 HydrophobicContact CE2-CB 4.32Å; F109-E138 HydrophobicContact CG-CB 3.91Å; F109-E138 HydrophobicContact CG-CG 3.92Å; F109-E138 HydrophobicContact CZ-CB 4.18Å; F109-Y139 WeakPolarHBondContact CE1-O 3.49Å; F109-L140 HydrophobicContact CE2-CD2 4.23Å; F109-L140 HydrophobicContact CZ-CD2 4.05Å; F109-L140 HydrophobicContact CZ-CG 4.43Å
110	V	89.9	Confident	90.3	Very high	88 Å²	88	52.6 Å²	52.6	53%	0.533	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.3	178.1	-180	0	0	0	0	109.3	I58	I58-V110 HydrophobicContact CD1-CG1 3.95Å; I58-V110 HydrophobicContact CD1-CG2 4.16Å
111	Q	87.5	Confident	89.8	Confident	12 Å²	12	48.7 Å²	48.7	6%	0.056	25%	0.249	C	C	.	.			trans	-94.7	163.1	-179.1	-58.6	-55.3	-27.6	0	0	111.9	C88 V90 G113 V115 V128 E138	C88-Q111 HydrophobicContact CB-CB 4.14Å; C88-Q111 WeakPolarHBondContact CB-O 3.24Å; C88-Q111 VanDerWaalsContact O-CB 3.28Å; C88-Q111 WeakPolarHBondContact O-CB 3.48Å; C88-Q111 PolarHBondContact O-N 2.92Å; V90-Q111 HydrophobicContact CG2-CG 4.4Å; Q111-G113 VanDerWaalsContact C-N 3.34Å; Q111-G113 WeakPolarHBondContact CB-O 3.46Å; Q111-V115 HydrophobicContact CG-CG2 3.93Å; Q111-V128 HydrophobicContact CG-CG1 4.17Å; Q111-E138 PolarHBondContact NE2-OE1 2.91Å; Q111-E138 PolarHBondContact OE1-OE1 2.93Å
112	K	84.2	Confident	89.3	Confident	142 Å²	142	47.3 Å²	47.3	62%	0.617	24%	0.244	S	C	*	.	S	Bend	trans	-86.8	-4.6	176	-67.5	-158.7	172.2	-156	0	114
113	G	85.8	Confident	88.7	Confident	5 Å²	5	42 Å²	42	5%	0.052	22%	0.222	C	C	.	.	S	Bend	trans	-163.8	165.8	177.6	0	0	0	0	0	111.1	C88 Q111 V115	C88-G113 VanDerWaalsContact SG-CA 3.58Å; Q111-G113 VanDerWaalsContact C-N 3.34Å; Q111-G113 WeakPolarHBondContact CB-O 3.46Å; G113-V115 PolarHBondContact O-N 3.11Å
114	P	90.5	Very high	87.9	Confident	43 Å²	43	44.7 Å²	44.7	28%	0.279	24%	0.235	S	C	.	.			trans	-55	134.4	-174.9	-29.7	37	0	0	0	112.6	S86 C88 S130 L131	S86-P114 WeakPolarHBondContact O-CB 3.32Å; S86-P114 WeakPolarHBondContact O-CG 3.46Å; C88-P114 VanDerWaalsContact SG-N 3.43Å; P114-S130 CarbonylContact O-C 3.59Å; P114-S130 VanDerWaalsContact O-CA 3.23Å; P114-S130 WeakPolarHBondContact O-CA 3.25Å; P114-S130 WeakPolarHBondContact O-CB 3.2Å; P114-L131 HydrophobicContact CB-CB 4.13Å; P114-L131 HydrophobicContact CB-CD2 4.3Å; P114-L131 HydrophobicContact CG-CB 4.43Å; P114-L131 HydrophobicContact CG-CD2 4.1Å; P114-L131 PolarHBondContact O-N 3.33Å
115	V	91.7	Very high	87.3	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.6	175.8	-177.2	0	0	0	0	109.4	K70 Q85 S89 V90 Q111 G113 L118 V128 G129	K70-V115 WeakPolarHBondContact CB-O 3.17Å; K70-V115 WeakPolarHBondContact CG-O 3.44Å; Q85-V115 WeakPolarHBondContact O-CB 3.15Å; Q85-V115 PolarHBondContact O-N 2.81Å; Q85-V115 VanDerWaalsContact O-N 3.13Å; S89-V115 WeakPolarHBondContact O-CG2 3.37Å; V90-V115 HydrophobicContact CG2-CG2 3.84Å; Q111-V115 HydrophobicContact CG-CG2 3.93Å; G113-V115 PolarHBondContact O-N 3.11Å; V115-L118 HydrophobicContact CG1-CD2 4Å; V115-L118 HydrophobicContact CG1-CG 4.3Å; V115-V128 HydrophobicContact CG1-CG1 3.92Å; V115-V128 HydrophobicContact CG2-CG1 3.93Å; V115-G129 WeakPolarHBondContact CA-O 3.49Å
116	T	89.5	Confident	87	Confident	31 Å²	31	43.3 Å²	43.3	19%	0.19	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-32.8	177.7	51.6	0	0	0	0	112.8	G129 L131 I157	T116-G129 PolarHBondContact N-O 3.14Å; T116-G129 PolarHBondContact OG1-O 2.73Å; T116-L131 HydrophobicContact CG2-CB 4.04Å; T116-I157 VanDerWaalsContact CB-O 3.29Å; T116-I157 WeakPolarHBondContact CB-O 3.21Å; T116-I157 PolarHBondContact OG1-O 3.49Å
117	C	88.8	Confident	86.7	Confident	9 Å²	9	41.2 Å²	41.2	6%	0.061	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	158.9	179.7	49	0	0	0	0	111.7	G129 F160	C117-G129 PolarHBondContact O-N 3.29Å; C117-F160 HydrophobicContact CB-CD2 4.26Å; C117-F160 HydrophobicContact CB-CE2 4.44Å; C117-F160 WeakPolarHBondContact SG-CD2 3.36Å; C117-F160 WeakPolarHBondContact SG-CE2 3.39Å
118	L	90.6	Very high	86.5	Confident	24 Å²	24	39.2 Å²	39.2	13%	0.126	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	152.4	-179.2	-71.5	-173.8	0	0	0	111	V73 A82 G84 V90 V115 I126 V128	V73-L118 HydrophobicContact CG1-CB 3.94Å; V73-L118 HydrophobicContact CG1-CD1 4.32Å; A82-L118 HydrophobicContact CB-CD1 4.1Å; G84-L118 VanDerWaalsContact N-CD1 3.26Å; V90-L118 HydrophobicContact CG1-CD1 4.12Å; V90-L118 HydrophobicContact CG1-CD2 4.22Å; V90-L118 HydrophobicContact CG2-CD2 3.94Å; V115-L118 HydrophobicContact CG1-CD2 4Å; V115-L118 HydrophobicContact CG1-CG 4.3Å; L118-I126 HydrophobicContact CD2-CG2 4.22Å; L118-V128 HydrophobicContact CD2-CB 4.19Å; L118-V128 HydrophobicContact CD2-CG1 3.97Å; L118-V128 HydrophobicContact CD2-CG2 3.83Å
119	L	88.7	Confident	86.2	Confident	34 Å²	34	34.6 Å²	34.6	18%	0.178	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	137.4	167.4	178.4	72.5	0	0	0	108.5	P121 A127 H162 F168	L119-P121 VanDerWaalsContact C-CD 3.48Å; L119-P121 VanDerWaalsContact O-CD 3.24Å; L119-P121 WeakPolarHBondContact O-CD 3.07Å; L119-A127 HydrophobicContact CB-CB 4.26Å; L119-A127 PolarHBondContact N-O 3.49Å; L119-A127 PolarHBondContact O-N 2.85Å; L119-H162 HydrophobicContact CD1-CB 4.13Å; L119-H162 HydrophobicContact CD2-CB 3.82Å; L119-F168 HydrophobicContact CD2-CB 4.08Å
120	W	88.5	Confident	86	Confident	12 Å²	12	33.8 Å²	33.8	5%	0.045	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	78.4	177.8	-159.8	-23	0	0	0	110	V73 K80 A82 V92 S122 I126 L140	V73-W120 HydrophobicContact CB-CB 4.47Å; V73-W120 HydrophobicContact CG1-CB 3.82Å; V73-W120 HydrophobicContact CG1-CE3 4.43Å; V73-W120 HydrophobicContact CG2-CB 3.81Å; K80-W120 HydrophobicContact CB-CH2 3.58Å; K80-W120 HydrophobicContact CB-CZ3 3.99Å; K80-W120 HydrophobicContact CD-CH2 3.91Å; K80-W120 HydrophobicContact CD-CZ2 4.2Å; K80-W120 HydrophobicContact CG-CH2 4.31Å; A82-W120 HydrophobicContact CB-CE3 3.57Å; A82-W120 HydrophobicContact CB-CZ3 3.64Å; V92-W120 HydrophobicContact CG1-CH2 3.5Å; V92-W120 HydrophobicContact CG1-CZ3 4.02Å; V92-W120 HydrophobicContact CG2-CH2 4.49Å; W120-S122 PolarHBondContact NE1-O 3.08Å; W120-S122 VanDerWaalsContact NE1-O 3.12Å; W120-I126 HydrophobicContact CD2-CD1 4.1Å; W120-I126 HydrophobicContact CD2-CG1 3.79Å; W120-I126 HydrophobicContact CE3-CD1 4.29Å; W120-I126 HydrophobicContact CE3-CG1 4.41Å; W120-I126 HydrophobicContact CG-CG1 3.89Å; W120-I126 HydrophobicContact CH2-CD1 4.31Å; W120-I126 HydrophobicContact CZ2-CD1 4.15Å; W120-I126 HydrophobicContact CZ2-CG1 4.38Å; W120-I126 HydrophobicContact CZ3-CD1 4.4Å; W120-L140 HydrophobicContact CH2-CD1 4.47Å; W120-L140 HydrophobicContact CZ2-CD1 3.41Å; W120-L140 VanDerWaalsContact CZ2-CD1 3.41Å; W120-L140 HydrophobicContact CZ2-CD2 4.34Å
121	P	80.2	Confident	85.7	Confident	20 Å²	20	32.8 Å²	32.8	13%	0.13	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	-43	-172.4	27	-38.8	0	0	0	113.6	L119 R125 H162	L119-P121 VanDerWaalsContact C-CD 3.48Å; L119-P121 VanDerWaalsContact O-CD 3.24Å; L119-P121 WeakPolarHBondContact O-CD 3.07Å; P121-R125 VanDerWaalsContact CD-O 3.24Å; P121-R125 WeakPolarHBondContact CD-O 3.19Å; P121-R125 HydrophobicContact CG-CB 4.19Å; P121-H162 WeakPolarHBondContact CB-NE2 3.48Å
122	S	80.1	Confident	85.1	Confident	25 Å²	25	34.8 Å²	34.8	18%	0.175	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	159.5	-175.2	52.4	0	0	0	0	111.4	W120 Q124 R125	W120-S122 PolarHBondContact NE1-O 3.08Å; W120-S122 VanDerWaalsContact NE1-O 3.12Å; S122-Q124 PolarHBondContact O-N 3.45Å; S122-R125 PolarHBondContact O-N 3.21Å
123	E	79	Confident	84.4	Confident	67 Å²	67	28 Å²	28	31%	0.313	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-19.2	-176.3	-83.7	-57.8	129.2	0	0	115	S75 P76 D77 K80 L140	S75-E123 WeakPolarHBondContact CB-OE1 3.03Å; P76-E123 HydrophobicContact CB-CG 4.34Å; P76-E123 VanDerWaalsContact CD-OE1 3.24Å; P76-E123 WeakPolarHBondContact CD-OE1 3.33Å; D77-E123 WeakPolarHBondContact CB-OE1 3.15Å; D77-E123 PolarHBondContact N-OE1 3.27Å; K80-E123 IonicContact NZ-OE1 2.92Å; K80-E123 IonicContact NZ-OE2 3.97Å; K80-E123 PolarHBondContact NZ-OE2 3.39Å; E123-L140 WeakPolarHBondContact O-CD1 3.47Å
124	Q	77.1	Confident	83.8	Confident	104 Å²	104	30.1 Å²	30.1	49%	0.486	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-20.7	-179.8	-62.9	-175.8	0.1	0	0	114.5	S122 Y139 L140 I141	S122-Q124 PolarHBondContact O-N 3.45Å; Q124-Y139 WeakPolarHBondContact O-CA 3.4Å; Q124-L140 PolarHBondContact O-N 3.07Å; Q124-L140 VanDerWaalsContact O-N 3.08Å; Q124-I141 HydrophobicContact CG-CD1 4.48Å
125	R	80.6	Confident	82.9	Confident	83 Å²	83	28 Å²	28	31%	0.313	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.1	-164.1	-57.4	179.1	-170.1	171.6	1.1	111.6	P121 S122 Y139	P121-R125 VanDerWaalsContact CD-O 3.24Å; P121-R125 WeakPolarHBondContact CD-O 3.19Å; P121-R125 HydrophobicContact CG-CB 4.19Å; S122-R125 PolarHBondContact O-N 3.21Å; R125-Y139 HydrophobicContact CG-CD1 4.26Å; R125-Y139 HydrophobicContact CG-CE1 3.88Å
126	I	87.4	Confident	82	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.6	166.3	-59.1	170	0	0	0	107.6	A82 V92 F109 L118 W120 V128 H137 E138 L140	A82-I126 HydrophobicContact CB-CD1 4Å; V92-I126 HydrophobicContact CG2-CD1 3.72Å; F109-I126 HydrophobicContact CE2-CD1 4.2Å; L118-I126 HydrophobicContact CD2-CG2 4.22Å; W120-I126 HydrophobicContact CD2-CD1 4.1Å; W120-I126 HydrophobicContact CD2-CG1 3.79Å; W120-I126 HydrophobicContact CE3-CD1 4.29Å; W120-I126 HydrophobicContact CE3-CG1 4.41Å; W120-I126 HydrophobicContact CG-CG1 3.89Å; W120-I126 HydrophobicContact CH2-CD1 4.31Å; W120-I126 HydrophobicContact CZ2-CD1 4.15Å; W120-I126 HydrophobicContact CZ2-CG1 4.38Å; W120-I126 HydrophobicContact CZ3-CD1 4.4Å; I126-V128 HydrophobicContact CG2-CG2 4.09Å; I126-H137 WeakPolarHBondContact O-CA 3.36Å; I126-E138 PolarHBondContact N-O 3.03Å; I126-E138 PolarHBondContact O-N 2.85Å; I126-L140 HydrophobicContact CD1-CD1 4.32Å; I126-L140 HydrophobicContact CD1-CD2 4.2Å; I126-L140 HydrophobicContact CD1-CG 4.41Å; I126-L140 HydrophobicContact CG1-CD1 4.35Å
127	A	85.7	Confident	81.1	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	130	170.9	0	0	0	0	0	109.8	L119 K136	L119-A127 HydrophobicContact CB-CB 4.26Å; L119-A127 PolarHBondContact N-O 3.49Å; L119-A127 PolarHBondContact O-N 2.85Å; A127-K136 WeakPolarHBondContact CA-O 3.32Å
128	V	88.2	Confident	80.1	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.1	-174.1	-172.2	0	0	0	0	109.6	V90 Q111 V115 L118 I126 V135 K136 E138	V90-V128 HydrophobicContact CG2-CG1 3.85Å; V90-V128 HydrophobicContact CG2-CG2 4Å; Q111-V128 HydrophobicContact CG-CG1 4.17Å; V115-V128 HydrophobicContact CG1-CG1 3.92Å; V115-V128 HydrophobicContact CG2-CG1 3.93Å; L118-V128 HydrophobicContact CD2-CB 4.19Å; L118-V128 HydrophobicContact CD2-CG1 3.97Å; L118-V128 HydrophobicContact CD2-CG2 3.83Å; I126-V128 HydrophobicContact CG2-CG2 4.09Å; V128-V135 WeakPolarHBondContact O-CA 3.43Å; V128-K136 PolarHBondContact N-O 2.91Å; V128-K136 PolarHBondContact O-N 2.66Å; V128-K136 VanDerWaalsContact O-N 3.08Å; V128-E138 HydrophobicContact CG2-CG 3.91Å
129	G	87.2	Confident	78.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	137.5	174.1	0	0	0	0	0	110.8	V115 T116 C117 F160	V115-G129 WeakPolarHBondContact CA-O 3.49Å; T116-G129 PolarHBondContact N-O 3.14Å; T116-G129 PolarHBondContact OG1-O 2.73Å; C117-G129 PolarHBondContact O-N 3.29Å; G129-F160 VanDerWaalsContact CA-CE2 3.42Å; G129-F160 VanDerWaalsContact N-CE2 3.31Å
130	S	85.8	Confident	77.3	Confident	7 Å²	7	29.7 Å²	29.7	5%	0.049	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	158.2	178.8	75.3	0	0	0	0	113.6	P114 E132 G133 R134	P114-S130 CarbonylContact O-C 3.59Å; P114-S130 VanDerWaalsContact O-CA 3.23Å; P114-S130 WeakPolarHBondContact O-CA 3.25Å; P114-S130 WeakPolarHBondContact O-CB 3.2Å; S130-E132 PolarHBondContact O-N 3.4Å; S130-E132 VanDerWaalsContact O-N 3.14Å; S130-G133 PolarHBondContact O-N 3Å; S130-G133 VanDerWaalsContact O-N 3.09Å; S130-R134 PolarHBondContact N-O 2.96Å; S130-R134 PolarHBondContact OG-O 3.33Å
131	L	83	Confident	75.9	Confident	67 Å²	67	34.3 Å²	34.3	35%	0.351	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-21.8	174.9	-178.6	59.3	0	0	0	113.3	P114 T116 G133 R156	P114-L131 HydrophobicContact CB-CB 4.13Å; P114-L131 HydrophobicContact CB-CD2 4.3Å; P114-L131 HydrophobicContact CG-CB 4.43Å; P114-L131 HydrophobicContact CG-CD2 4.1Å; P114-L131 PolarHBondContact O-N 3.33Å; T116-L131 HydrophobicContact CG2-CB 4.04Å; L131-G133 VanDerWaalsContact C-N 3.3Å; L131-G133 PolarHBondContact O-N 3.33Å; L131-R156 HydrophobicContact CD1-CB 3.88Å; L131-R156 HydrophobicContact CD1-CG 3.66Å
132	E	75.5	Confident	73.8	Confident	55 Å²	55	37.6 Å²	37.6	26%	0.257	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	7.7	176.9	-60.4	-177.9	106.6	0	0	114.2	S130 R134 Q155	S130-E132 PolarHBondContact O-N 3.4Å; S130-E132 VanDerWaalsContact O-N 3.14Å; E132-R134 VanDerWaalsContact C-N 3.32Å; E132-R134 HydrophobicContact CB-CG 4.44Å; E132-R134 VanDerWaalsContact CD-CZ 3.43Å; E132-R134 VanDerWaalsContact CD-NH1 3.32Å; E132-R134 VanDerWaalsContact CD-NH2 3.32Å; E132-R134 PolarHBondContact O-N 2.8Å; E132-R134 IonicContact OE1-CZ 3.4Å; E132-R134 IonicContact OE1-NH1 3.49Å; E132-R134 PolarHBondContact OE1-NH1 3.37Å; E132-R134 IonicContact OE1-NH2 2.95Å; E132-R134 PolarHBondContact OE1-NH2 3.46Å; E132-R134 IonicContact OE2-CZ 2.72Å; E132-R134 IonicContact OE2-NE 2.78Å; E132-R134 IonicContact OE2-NH1 3.8Å; E132-R134 PolarHBondContact OE2-NH1 2.7Å; E132-R134 IonicContact OE2-NH2 3.75Å; E132-R134 PolarHBondContact OE2-NH2 3.42Å; E132-Q155 CarbonylContact C-O 3.48Å
133	G	68.7	Low	71.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	78.4	15.7	178	0	0	0	0	0	114.5	S130 L131 Q155 H172	S130-G133 PolarHBondContact O-N 3Å; S130-G133 VanDerWaalsContact O-N 3.09Å; L131-G133 VanDerWaalsContact C-N 3.3Å; L131-G133 PolarHBondContact O-N 3.33Å; G133-Q155 WeakPolarHBondContact CA-O 3.17Å; G133-Q155 PolarHBondContact N-O 2.86Å; G133-H172 PolarHBondContact O-CE1 2.87Å
134	R	72.8	Confident	69.9	Low	48 Å²	48	41.4 Å²	41.4	18%	0.181	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.2	179.8	-57.4	-178.6	-167	140.1	14	110.4	S130 E132 I157	S130-R134 PolarHBondContact N-O 2.96Å; S130-R134 PolarHBondContact OG-O 3.33Å; E132-R134 VanDerWaalsContact C-N 3.32Å; E132-R134 HydrophobicContact CB-CG 4.44Å; E132-R134 VanDerWaalsContact CD-CZ 3.43Å; E132-R134 VanDerWaalsContact CD-NH1 3.32Å; E132-R134 VanDerWaalsContact CD-NH2 3.32Å; E132-R134 PolarHBondContact O-N 2.8Å; E132-R134 IonicContact OE1-CZ 3.4Å; E132-R134 IonicContact OE1-NH1 3.49Å; E132-R134 PolarHBondContact OE1-NH1 3.37Å; E132-R134 IonicContact OE1-NH2 2.95Å; E132-R134 PolarHBondContact OE1-NH2 3.46Å; E132-R134 IonicContact OE2-CZ 2.72Å; E132-R134 IonicContact OE2-NE 2.78Å; E132-R134 IonicContact OE2-NH1 3.8Å; E132-R134 PolarHBondContact OE2-NH1 2.7Å; E132-R134 IonicContact OE2-NH2 3.75Å; E132-R134 PolarHBondContact OE2-NH2 3.42Å; R134-I157 VanDerWaalsContact C-CD1 3.48Å; R134-I157 VanDerWaalsContact O-CD1 3.31Å; R134-I157 WeakPolarHBondContact O-CD1 3.36Å
135	V	71.8	Confident	68.8	Low	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.5	167.2	-166.4	0	0	0	0	109.5	V128 L148 Y149 I157 F160 F168	V128-V135 WeakPolarHBondContact O-CA 3.43Å; V135-L148 PolarHBondContact O-N 3.16Å; V135-Y149 HydrophobicContact CB-CD2 4.37Å; V135-Y149 HydrophobicContact CG2-CD2 4.18Å; V135-I157 HydrophobicContact CG2-CD1 3.65Å; V135-F160 HydrophobicContact CB-CE1 4.19Å; V135-F160 HydrophobicContact CB-CZ 4.29Å; V135-F160 HydrophobicContact CG1-CE1 3.51Å; V135-F160 HydrophobicContact CG1-CZ 3.59Å; V135-F160 HydrophobicContact CG2-CE1 3.61Å; V135-F160 HydrophobicContact CG2-CZ 3.91Å; V135-F168 HydrophobicContact CB-CE2 4.35Å; V135-F168 HydrophobicContact CB-CZ 4.2Å; V135-F168 HydrophobicContact CG1-CE1 4.25Å; V135-F168 HydrophobicContact CG1-CE2 3.66Å; V135-F168 HydrophobicContact CG1-CZ 3.41Å; V135-F168 VanDerWaalsContact CG1-CZ 3.41Å; V135-F168 HydrophobicContact CG2-CE2 4.29Å
136	K	73.8	Confident	67.3	Low	22 Å²	22	42.1 Å²	42.1	10%	0.096	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.2	-178.7	-68	167	91.3	-113.3	0	110.4	A127 V128 E138 C145 W146 R147	A127-K136 WeakPolarHBondContact CA-O 3.32Å; V128-K136 PolarHBondContact N-O 2.91Å; V128-K136 PolarHBondContact O-N 2.66Å; V128-K136 VanDerWaalsContact O-N 3.08Å; K136-E138 IonicContact NZ-OE1 2.65Å; K136-E138 PolarHBondContact NZ-OE1 2.72Å; K136-C145 VanDerWaalsContact CE-SG 3.56Å; K136-W146 WeakPolarHBondContact CA-O 3.3Å; K136-R147 HydrophobicContact CG-CG 4.25Å
137	H	69.5	Low	65.8	Low	23 Å²	23	49.7 Å²	49.7	11%	0.106	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.7	160	-72.8	-72.7	0	0	0	109.7	I126 Y139 C145 W146 L148 F168	I126-H137 WeakPolarHBondContact O-CA 3.36Å; H137-Y139 HydrophobicContact CB-CD2 4.45Å; H137-Y139 HydrophobicContact CB-CE2 3.79Å; H137-C145 WeakPolarHBondContact O-CA 3.32Å; H137-C145 WeakPolarHBondContact O-CB 3.41Å; H137-C145 PolarHBondContact O-SG 2.82Å; H137-C145 VanDerWaalsContact O-SG 3.36Å; H137-W146 PolarHBondContact N-O 2.85Å; H137-W146 VanDerWaalsContact N-O 3.16Å; H137-L148 WeakPolarHBondContact NE2-CD1 3.31Å; H137-F168 AromaticContact CE1-CE1 3.92Å; H137-F168 AromaticContact NE2-CE1 3.53Å
138	E	67	Low	64.4	Low	19 Å²	19	52.5 Å²	52.5	9%	0.089	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133	164.5	-59.3	-58.3	159.4	0	0	108.9	F109 Q111 I126 V128 K136	F109-E138 HydrophobicContact CB-CG 3.99Å; F109-E138 HydrophobicContact CD1-CB 3.76Å; F109-E138 HydrophobicContact CD1-CG 4.03Å; F109-E138 HydrophobicContact CD2-CB 4.2Å; F109-E138 HydrophobicContact CD2-CG 4.47Å; F109-E138 HydrophobicContact CE1-CB 3.91Å; F109-E138 HydrophobicContact CE2-CB 4.32Å; F109-E138 HydrophobicContact CG-CB 3.91Å; F109-E138 HydrophobicContact CG-CG 3.92Å; F109-E138 HydrophobicContact CZ-CB 4.18Å; Q111-E138 PolarHBondContact NE2-OE1 2.91Å; Q111-E138 PolarHBondContact OE1-OE1 2.93Å; I126-E138 PolarHBondContact N-O 3.03Å; I126-E138 PolarHBondContact O-N 2.85Å; V128-E138 HydrophobicContact CG2-CG 3.91Å; K136-E138 IonicContact NZ-OE1 2.65Å; K136-E138 PolarHBondContact NZ-OE1 2.72Å
139	Y	61.5	Low	63	Low	36 Å²	36	53.7 Å²	53.7	14%	0.141	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	136.6	178.2	-70.1	-105.7	0	0	0	110	F109 Q124 R125 H137 I141 V143 W146	F109-Y139 WeakPolarHBondContact CE1-O 3.49Å; Q124-Y139 WeakPolarHBondContact O-CA 3.4Å; R125-Y139 HydrophobicContact CG-CD1 4.26Å; R125-Y139 HydrophobicContact CG-CE1 3.88Å; H137-Y139 HydrophobicContact CB-CD2 4.45Å; H137-Y139 HydrophobicContact CB-CE2 3.79Å; Y139-I141 VanDerWaalsContact C-N 3.29Å; Y139-I141 CarbonylContact C-O 3.54Å; Y139-I141 WeakPolarHBondContact CB-O 3.41Å; Y139-V143 HydrophobicContact CD1-CB 4.17Å; Y139-V143 HydrophobicContact CD1-CG1 4.48Å; Y139-V143 HydrophobicContact CG-CB 4.09Å; Y139-W146 AromaticContact CE2-CD1 3.68Å; Y139-W146 AromaticContact CZ-CD1 3.86Å
140	L	60.9	Low	61.2	Low	34 Å²	34	63.1 Å²	63.1	18%	0.178	32%	0.317	C	S	.	.	S	Bend	trans	-78.1	-19.7	180	-70.6	149.6	0	0	0	112.8	V92 N107 F109 W120 E123 Q124 I126	V92-L140 HydrophobicContact CG2-CD2 4.11Å; N107-L140 HydrophobicContact CB-CD2 4.3Å; F109-L140 HydrophobicContact CE2-CD2 4.23Å; F109-L140 HydrophobicContact CZ-CD2 4.05Å; F109-L140 HydrophobicContact CZ-CG 4.43Å; W120-L140 HydrophobicContact CH2-CD1 4.47Å; W120-L140 HydrophobicContact CZ2-CD1 3.41Å; W120-L140 VanDerWaalsContact CZ2-CD1 3.41Å; W120-L140 HydrophobicContact CZ2-CD2 4.34Å; E123-L140 WeakPolarHBondContact O-CD1 3.47Å; Q124-L140 PolarHBondContact O-N 3.07Å; Q124-L140 VanDerWaalsContact O-N 3.08Å; I126-L140 HydrophobicContact CD1-CD1 4.32Å; I126-L140 HydrophobicContact CD1-CD2 4.2Å; I126-L140 HydrophobicContact CD1-CG 4.41Å; I126-L140 HydrophobicContact CG1-CD1 4.35Å
141	I	57.2	Low	59.4	Low	110 Å²	110	64.4 Å²	64.4	56%	0.564	33%	0.326	S	S	*	.	S	Bend	trans	-105	144.1	168.6	-56.6	170.4	0	0	0	106.3	Q124 Y139 V143	Q124-I141 HydrophobicContact CG-CD1 4.48Å; Y139-I141 VanDerWaalsContact C-N 3.29Å; Y139-I141 CarbonylContact C-O 3.54Å; Y139-I141 WeakPolarHBondContact CB-O 3.41Å; I141-V143 PolarHBondContact O-N 3.05Å
142	G	36.7	Very low	57.6	Low	89 Å²	89	67.6 Å²	67.6	92%	0.918	36%	0.355	S	S	*	.	S	Bend	trans	-65.4	34.5	-164	0	0	0	0	0	119.3
143	V	36.3	Very low	56.3	Low	73 Å²	73	67.9 Å²	67.9	44%	0.442	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-74.4	137.6	169.9	-176.8	0	0	0	0	109.2	Y139 I141	Y139-V143 HydrophobicContact CD1-CB 4.17Å; Y139-V143 HydrophobicContact CD1-CG1 4.48Å; Y139-V143 HydrophobicContact CG-CB 4.09Å; I141-V143 PolarHBondContact O-N 3.05Å
144	P	42.2	Very low	55	Low	99 Å²	99	75.8 Å²	75.8	64%	0.643	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-61.4	138.5	-179	22.4	-33.3	0	0	0	113.4	W146	P144-W146 PolarHBondContact O-N 3.17Å
145	C	53.4	Low	54	Low	44 Å²	44	74.4 Å²	74.4	30%	0.297	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-57.6	122.5	175.7	162.5	0	0	0	0	112.3	K136 H137	K136-C145 VanDerWaalsContact CE-SG 3.56Å; H137-C145 WeakPolarHBondContact O-CA 3.32Å; H137-C145 WeakPolarHBondContact O-CB 3.41Å; H137-C145 PolarHBondContact O-SG 2.82Å; H137-C145 VanDerWaalsContact O-SG 3.36Å
146	W	49.5	Very low	53	Low	157 Å²	157	80.6 Å²	80.6	60%	0.595	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	136.4	168.9	-60.6	96.6	0	0	0	110.9	K136 H137 Y139 P144	K136-W146 WeakPolarHBondContact CA-O 3.3Å; H137-W146 PolarHBondContact N-O 2.85Å; H137-W146 VanDerWaalsContact N-O 3.16Å; Y139-W146 AromaticContact CE2-CD1 3.68Å; Y139-W146 AromaticContact CZ-CD1 3.86Å; P144-W146 PolarHBondContact O-N 3.17Å
147	R	54.9	Low	52.3	Low	160 Å²	160	79.5 Å²	79.5	60%	0.604	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.1	169.4	-60.4	-179	-166.3	148.9	12.3	107.6	K136	K136-R147 HydrophobicContact CG-CG 4.25Å
148	L	56.8	Low	51.9	Low	58 Å²	58	80.3 Å²	80.3	30%	0.304	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-38.8	-178.3	-69.1	169	0	0	0	112.1	V135 H137 F168 L183	V135-L148 PolarHBondContact O-N 3.16Å; H137-L148 WeakPolarHBondContact NE2-CD1 3.31Å; L148-F168 HydrophobicContact CD1-CE1 3.46Å; L148-F168 VanDerWaalsContact CD1-CE1 3.46Å; L148-F168 HydrophobicContact CD1-CZ 3.47Å; L148-F168 VanDerWaalsContact CD1-CZ 3.47Å; L148-L183 HydrophobicContact CD2-CD2 4.43Å
149	Y	58	Low	51.7	Low	27 Å²	27	81.9 Å²	81.9	11%	0.106	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.4	-174.7	-58.5	-76.1	0	0	0	114.1	V135 F168 F178 S179 S180 L183	V135-Y149 HydrophobicContact CB-CD2 4.37Å; V135-Y149 HydrophobicContact CG2-CD2 4.18Å; Y149-F168 HydrophobicContact CE2-CZ 4.46Å; Y149-F178 HydrophobicContact CD1-CD1 4.39Å; Y149-F178 HydrophobicContact CE1-CD1 4.23Å; Y149-S179 PolarHBondContact OH-O 3.06Å; Y149-S180 WeakPolarHBondContact OH-CA 3.25Å; Y149-S180 PolarHBondContact OH-N 2.77Å; Y149-L183 WeakPolarHBondContact OH-CA 3.28Å
150	R	50.3	Low	51.8	Low	197 Å²	197	81.2 Å²	81.2	74%	0.743	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.3	101.6	167.8	-175.5	-179.3	-172.9	-179.9	1.9	108.2
151	S	47.3	Very low	52	Low	34 Å²	34	80.1 Å²	80.1	24%	0.238	42%	0.423	C	S	.	.			trans	-65.4	144.1	162.6	-168.9	0	0	0	0	109.2	S153 Q155	S151-S153 VanDerWaalsContact C-N 3.28Å; S151-S153 PolarHBondContact OG-OG 2.86Å; S151-Q155 PolarHBondContact OG-OE1 2.94Å
152	S	45.2	Very low	52.3	Low	135 Å²	135	77.5 Å²	77.5	94%	0.944	41%	0.409	S	S	*	.	S	Bend	trans	-79.4	-12.9	176.2	50.2	0	0	0	0	112.8
153	S	49.1	Very low	53.3	Low	61 Å²	61	75.4 Å²	75.4	43%	0.427	38%	0.38	S	S	.	.	S	Bend	trans	-101.8	152.3	171.2	62.9	0	0	0	0	110.9	S151 Q155	S151-S153 VanDerWaalsContact C-N 3.28Å; S151-S153 PolarHBondContact OG-OG 2.86Å; S153-Q155 VanDerWaalsContact C-N 3.29Å; S153-Q155 PolarHBondContact O-N 3.49Å; S153-Q155 WeakPolarHBondContact OG-CG 3.21Å; S153-Q155 PolarHBondContact OG-NE2 2.79Å; S153-Q155 VanDerWaalsContact OG-NE2 3.16Å
154	L	40.8	Very low	54.3	Low	165 Å²	165	75.4 Å²	75.4	86%	0.864	38%	0.377	S	S	*	.			trans	-72.2	79.8	-178.8	-70.3	169.5	0	0	0	111.1
155	Q	51.7	Low	55	Low	19 Å²	19	75.3 Å²	75.3	9%	0.089	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-98.8	119.3	-178.8	-67.2	177.2	-19.4	0	0	110.6	E132 G133 S151 S153 I157 H172 D174	E132-Q155 CarbonylContact C-O 3.48Å; G133-Q155 WeakPolarHBondContact CA-O 3.17Å; G133-Q155 PolarHBondContact N-O 2.86Å; S151-Q155 PolarHBondContact OG-OE1 2.94Å; S153-Q155 VanDerWaalsContact C-N 3.29Å; S153-Q155 PolarHBondContact O-N 3.49Å; S153-Q155 WeakPolarHBondContact OG-CG 3.21Å; S153-Q155 PolarHBondContact OG-NE2 2.79Å; S153-Q155 VanDerWaalsContact OG-NE2 3.16Å; Q155-I157 PolarHBondContact O-N 2.8Å; Q155-H172 HydrophobicContact CB-CB 4.28Å; Q155-D174 PolarHBondContact NE2-OD2 2.71Å
156	R	50.2	Low	55.5	Low	130 Å²	130	80.1 Å²	80.1	49%	0.491	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-66.5	127.4	171	174.9	-177.7	-63.8	168.7	1.8	109.3	L131 H158 H172 A173	L131-R156 HydrophobicContact CD1-CB 3.88Å; L131-R156 HydrophobicContact CD1-CG 3.66Å; R156-H158 WeakPolarHBondContact CD-NE2 3.45Å; R156-H158 PolarHBondContact O-CD2 2.83Å; R156-H172 CarbonylContact O-C 3.55Å; R156-H172 WeakPolarHBondContact O-CA 3.49Å; R156-A173 HydrophobicContact CB-CB 4.05Å; R156-A173 PolarHBondContact O-N 3.39Å
157	I	60.7	Low	56.4	Low	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	125.8	162.4	-70.9	152.5	0	0	0	108.1	T116 R134 V135 Q155 F160 G171 H172	T116-I157 VanDerWaalsContact CB-O 3.29Å; T116-I157 WeakPolarHBondContact CB-O 3.21Å; T116-I157 PolarHBondContact OG1-O 3.49Å; R134-I157 VanDerWaalsContact C-CD1 3.48Å; R134-I157 VanDerWaalsContact O-CD1 3.31Å; R134-I157 WeakPolarHBondContact O-CD1 3.36Å; V135-I157 HydrophobicContact CG2-CD1 3.65Å; Q155-I157 PolarHBondContact O-N 2.8Å; I157-F160 HydrophobicContact CG2-CE1 4.34Å; I157-F160 HydrophobicContact CG2-CE2 4.37Å; I157-F160 HydrophobicContact CG2-CZ 4.03Å; I157-G171 WeakPolarHBondContact CA-O 3.46Å; I157-H172 VanDerWaalsContact CG1-CE1 3.45Å; I157-H172 WeakPolarHBondContact CG1-CE1 3.23Å
158	H	59.8	Low	57.5	Low	39 Å²	39	65.5 Å²	65.5	18%	0.181	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-44.4	178.2	-77.4	-104.5	0	0	0	112.2	R156 G171 P193 Y194	R156-H158 WeakPolarHBondContact CD-NE2 3.45Å; R156-H158 PolarHBondContact O-CD2 2.83Å; H158-G171 PolarHBondContact N-O 2.96Å; H158-P193 WeakPolarHBondContact CB-O 3.26Å; H158-Y194 AromaticContact CE1-CE1 3.73Å; H158-Y194 AromaticContact ND1-CD1 3.6Å; H158-Y194 AromaticContact ND1-CE1 3.76Å
159	L	63.2	Low	58.8	Low	53 Å²	53	62.9 Å²	62.9	28%	0.277	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	166.4	-174.6	-83.8	-167.6	0	0	0	114.3	G171 Y194 V195	L159-G171 PolarHBondContact O-N 2.92Å; L159-G171 VanDerWaalsContact O-N 3.12Å; L159-Y194 WeakPolarHBondContact CD1-O 3.43Å; L159-V195 VanDerWaalsContact CD1-CA 3.45Å
160	F	64.7	Low	60.1	Low	22 Å²	22	61.6 Å²	61.6	10%	0.096	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	154.8	159.7	-55.2	-77.1	0	0	0	112.1	C117 G129 V135 I157 F168 L169	C117-F160 HydrophobicContact CB-CD2 4.26Å; C117-F160 HydrophobicContact CB-CE2 4.44Å; C117-F160 WeakPolarHBondContact SG-CD2 3.36Å; C117-F160 WeakPolarHBondContact SG-CE2 3.39Å; G129-F160 VanDerWaalsContact CA-CE2 3.42Å; G129-F160 VanDerWaalsContact N-CE2 3.31Å; V135-F160 HydrophobicContact CB-CE1 4.19Å; V135-F160 HydrophobicContact CB-CZ 4.29Å; V135-F160 HydrophobicContact CG1-CE1 3.51Å; V135-F160 HydrophobicContact CG1-CZ 3.59Å; V135-F160 HydrophobicContact CG2-CE1 3.61Å; V135-F160 HydrophobicContact CG2-CZ 3.91Å; I157-F160 HydrophobicContact CG2-CE1 4.34Å; I157-F160 HydrophobicContact CG2-CE2 4.37Å; I157-F160 HydrophobicContact CG2-CZ 4.03Å; F160-F168 AromaticContact CD1-CD2 3.52Å; F160-F168 HydrophobicContact CD1-CD2 3.52Å; F160-F168 AromaticContact CD1-CE2 3.94Å; F160-F168 HydrophobicContact CD1-CE2 3.94Å; F160-F168 HydrophobicContact CD1-CG 4.33Å; F160-F168 AromaticContact CE1-CD2 3.92Å; F160-F168 HydrophobicContact CE1-CD2 3.92Å; F160-F168 AromaticContact CE1-CE2 3.84Å; F160-F168 HydrophobicContact CE1-CE2 3.84Å; F160-L169 WeakPolarHBondContact CA-O 3.43Å; F160-L169 WeakPolarHBondContact CD1-O 3.43Å
161	C	63.4	Low	61.8	Low	10 Å²	10	52.2 Å²	52.2	7%	0.068	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.7	153.4	57.7	0	0	0	0	110.2	F168 L169 L196	C161-F168 CarbonylContact O-C 3.55Å; C161-F168 WeakPolarHBondContact O-CA 3.41Å; C161-F168 VanDerWaalsContact O-CB 3.29Å; C161-F168 WeakPolarHBondContact O-CB 3.35Å; C161-L169 PolarHBondContact N-O 2.79Å; C161-L169 PolarHBondContact O-N 2.81Å; C161-L196 HydrophobicContact CB-CB 4.41Å; C161-L196 WeakPolarHBondContact CB-O 3.25Å
162	H	65.2	Low	63.6	Low	56 Å²	56	50.7 Å²	50.7	26%	0.259	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	136.4	176.5	-165.5	-131.7	0	0	0	109.4	L119 P121 D164 D165 G167	L119-H162 HydrophobicContact CD1-CB 4.13Å; L119-H162 HydrophobicContact CD2-CB 3.82Å; P121-H162 WeakPolarHBondContact CB-NE2 3.48Å; H162-D164 PolarHBondContact CD2-O 3.49Å; H162-D164 VanDerWaalsContact CD2-O 3.26Å; H162-D164 PolarHBondContact CE1-O 3.06Å; H162-D164 VanDerWaalsContact CE1-O 3.27Å; H162-D164 VanDerWaalsContact NE2-C 3.27Å; H162-D164 PolarHBondContact NE2-O 3.08Å; H162-D165 PolarHBondContact CE1-N 3.24Å; H162-D165 IonicContact CE1-OD1 2.61Å; H162-G167 PolarHBondContact CD2-O 3.25Å
163	S	56.4	Low	65.5	Low	44 Å²	44	46.4 Å²	46.4	31%	0.308	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	-35.8	169.5	47.2	0	0	0	0	111.9	G167	S163-G167 PolarHBondContact N-O 2.97Å; S163-G167 VanDerWaalsContact OG-C 3.27Å; S163-G167 WeakPolarHBondContact OG-CA 3.47Å; S163-G167 PolarHBondContact OG-O 3.47Å; S163-G167 VanDerWaalsContact OG-O 3.13Å
164	D	58.7	Low	67.2	Low	73 Å²	73	47.2 Å²	47.2	39%	0.39	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	172.3	168.5	-167	54	-12.2	0	0	0	107.9	H162 Q166 G167	H162-D164 PolarHBondContact CD2-O 3.49Å; H162-D164 VanDerWaalsContact CD2-O 3.26Å; H162-D164 PolarHBondContact CE1-O 3.06Å; H162-D164 VanDerWaalsContact CE1-O 3.27Å; H162-D164 VanDerWaalsContact NE2-C 3.27Å; H162-D164 PolarHBondContact NE2-O 3.08Å; D164-Q166 PolarHBondContact O-N 3.27Å; D164-G167 PolarHBondContact O-N 3.44Å; D164-G167 PolarHBondContact OD1-N 3.08Å
165	D	57	Low	69.5	Low	97 Å²	97	39.4 Å²	39.4	52%	0.519	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-10.7	-178.3	-76.2	3.4	0	0	0	115.3	H162	H162-D165 PolarHBondContact CE1-N 3.24Å; H162-D165 IonicContact CE1-OD1 2.61Å
166	Q	62.7	Low	71.3	Confident	145 Å²	145	38.8 Å²	38.8	68%	0.678	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-20.7	178	-52.5	-57	-23.2	0	0	113.6	D164	D164-Q166 PolarHBondContact O-N 3.27Å
167	G	69.2	Low	73.1	Confident	4 Å²	4	32.6 Å²	32.6	4%	0.041	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	147.5	-164.1	0	0	0	0	0	117.5	H162 S163 D164 S180	H162-G167 PolarHBondContact CD2-O 3.25Å; S163-G167 PolarHBondContact N-O 2.97Å; S163-G167 VanDerWaalsContact OG-C 3.27Å; S163-G167 WeakPolarHBondContact OG-CA 3.47Å; S163-G167 PolarHBondContact OG-O 3.47Å; S163-G167 VanDerWaalsContact OG-O 3.13Å; D164-G167 PolarHBondContact O-N 3.44Å; D164-G167 PolarHBondContact OD1-N 3.08Å; G167-S180 WeakPolarHBondContact CA-OG 3.01Å
168	F	78.3	Confident	74.2	Confident	6 Å²	6	34.8 Å²	34.8	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	158.9	163.6	68.9	-93.5	0	0	0	111.9	L119 V135 H137 L148 Y149 F160 C161 S180	L119-F168 HydrophobicContact CD2-CB 4.08Å; V135-F168 HydrophobicContact CB-CE2 4.35Å; V135-F168 HydrophobicContact CB-CZ 4.2Å; V135-F168 HydrophobicContact CG1-CE1 4.25Å; V135-F168 HydrophobicContact CG1-CE2 3.66Å; V135-F168 HydrophobicContact CG1-CZ 3.41Å; V135-F168 VanDerWaalsContact CG1-CZ 3.41Å; V135-F168 HydrophobicContact CG2-CE2 4.29Å; H137-F168 AromaticContact CE1-CE1 3.92Å; H137-F168 AromaticContact NE2-CE1 3.53Å; L148-F168 HydrophobicContact CD1-CE1 3.46Å; L148-F168 VanDerWaalsContact CD1-CE1 3.46Å; L148-F168 HydrophobicContact CD1-CZ 3.47Å; L148-F168 VanDerWaalsContact CD1-CZ 3.47Å; Y149-F168 HydrophobicContact CE2-CZ 4.46Å; F160-F168 AromaticContact CD1-CD2 3.52Å; F160-F168 HydrophobicContact CD1-CD2 3.52Å; F160-F168 AromaticContact CD1-CE2 3.94Å; F160-F168 HydrophobicContact CD1-CE2 3.94Å; F160-F168 HydrophobicContact CD1-CG 4.33Å; F160-F168 AromaticContact CE1-CD2 3.92Å; F160-F168 HydrophobicContact CE1-CD2 3.92Å; F160-F168 AromaticContact CE1-CE2 3.84Å; F160-F168 HydrophobicContact CE1-CE2 3.84Å; C161-F168 CarbonylContact O-C 3.55Å; C161-F168 WeakPolarHBondContact O-CA 3.41Å; C161-F168 VanDerWaalsContact O-CB 3.29Å; C161-F168 WeakPolarHBondContact O-CB 3.35Å; F168-S180 PolarHBondContact N-OG 2.89Å; F168-S180 WeakPolarHBondContact O-CB 3.3Å; F168-S180 PolarHBondContact O-N 3.47Å; F168-S180 PolarHBondContact O-OG 3.31Å
169	L	83	Confident	75.3	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	149.4	167.1	-71.9	145.9	0	0	0	110.1	F160 C161 I177 F178 F186 W198 L203	F160-L169 WeakPolarHBondContact CA-O 3.43Å; F160-L169 WeakPolarHBondContact CD1-O 3.43Å; C161-L169 PolarHBondContact N-O 2.79Å; C161-L169 PolarHBondContact O-N 2.81Å; L169-I177 HydrophobicContact CB-CG2 4.41Å; L169-I177 HydrophobicContact CD2-CG2 4.1Å; L169-F178 CarbonylContact C-O 3.54Å; L169-F178 VanDerWaalsContact CA-O 3.31Å; L169-F178 WeakPolarHBondContact CA-O 3.45Å; L169-F186 HydrophobicContact CD2-CB 4.16Å; L169-F186 HydrophobicContact CD2-CD1 3.89Å; L169-F186 HydrophobicContact CD2-CG 4.01Å; L169-W198 HydrophobicContact CD1-CB 4.36Å; L169-W198 HydrophobicContact CD1-CD2 4.07Å; L169-W198 HydrophobicContact CD1-CE3 3.34Å; L169-W198 HydrophobicContact CD1-CZ3 3.85Å; L169-L203 HydrophobicContact CD1-CD1 3.92Å; L169-L203 HydrophobicContact CD1-CD2 4.29Å; L169-L203 HydrophobicContact CD2-CD2 4.39Å
170	S	85.1	Confident	75.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133.5	179	64.7	0	0	0	0	112.2	H172 I177 F178	S170-H172 WeakPolarHBondContact CB-NE2 3.14Å; S170-H172 PolarHBondContact O-CD2 3.25Å; S170-H172 PolarHBondContact O-NE2 3.42Å; S170-H172 PolarHBondContact OG-NE2 3Å; S170-I177 WeakPolarHBondContact O-CA 3.12Å; S170-F178 PolarHBondContact N-O 2.82Å; S170-F178 PolarHBondContact O-N 2.72Å
171	G	86.3	Confident	76.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.7	-178.1	0	0	0	0	0	112.9	I157 H158 L159 L196	I157-G171 WeakPolarHBondContact CA-O 3.46Å; H158-G171 PolarHBondContact N-O 2.96Å; L159-G171 PolarHBondContact O-N 2.92Å; L159-G171 VanDerWaalsContact O-N 3.12Å; G171-L196 VanDerWaalsContact N-CD1 3.34Å
172	H	86	Confident	76.4	Confident	3 Å²	3	40.9 Å²	40.9	1%	0.014	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	158.7	-171	-63.7	-100.3	0	0	0	112.5	G133 Q155 R156 I157 S170 D174 G175 S176 F178 P193	G133-H172 PolarHBondContact O-CE1 2.87Å; Q155-H172 HydrophobicContact CB-CB 4.28Å; R156-H172 CarbonylContact O-C 3.55Å; R156-H172 WeakPolarHBondContact O-CA 3.49Å; I157-H172 VanDerWaalsContact CG1-CE1 3.45Å; I157-H172 WeakPolarHBondContact CG1-CE1 3.23Å; S170-H172 WeakPolarHBondContact CB-NE2 3.14Å; S170-H172 PolarHBondContact O-CD2 3.25Å; S170-H172 PolarHBondContact O-NE2 3.42Å; S170-H172 PolarHBondContact OG-NE2 3Å; H172-D174 VanDerWaalsContact CB-OD1 3.28Å; H172-D174 WeakPolarHBondContact CB-OD1 3.2Å; H172-D174 PolarHBondContact O-N 3.47Å; H172-D174 VanDerWaalsContact O-N 3.17Å; H172-G175 PolarHBondContact O-N 3.24Å; H172-S176 WeakPolarHBondContact CB-O 3.39Å; H172-S176 PolarHBondContact CD2-O 3.23Å; H172-S176 PolarHBondContact N-O 2.96Å; H172-F178 AromaticContact CD2-CD2 3.59Å; H172-F178 AromaticContact NE2-CD2 3.71Å; H172-F178 AromaticContact NE2-CG 3.98Å; H172-P193 WeakPolarHBondContact O-CD 3.31Å
173	A	84.8	Confident	76.8	Confident	44 Å²	44	43.7 Å²	43.7	36%	0.364	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.4	-174.7	0	0	0	0	0	115.4	R156 G175	R156-A173 HydrophobicContact CB-CB 4.05Å; R156-A173 PolarHBondContact O-N 3.39Å; A173-G175 PolarHBondContact O-N 3.04Å
174	D	84.8	Confident	77.8	Confident	79 Å²	79	47.3 Å²	47.3	42%	0.422	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	2.9	175.3	69.6	-26.9	0	0	0	113	Q155 H172 S176	Q155-D174 PolarHBondContact NE2-OD2 2.71Å; H172-D174 VanDerWaalsContact CB-OD1 3.28Å; H172-D174 WeakPolarHBondContact CB-OD1 3.2Å; H172-D174 PolarHBondContact O-N 3.47Å; H172-D174 VanDerWaalsContact O-N 3.17Å; D174-S176 VanDerWaalsContact C-N 3.26Å; D174-S176 VanDerWaalsContact CG-OG 3.26Å; D174-S176 PolarHBondContact O-N 3.49Å; D174-S176 WeakPolarHBondContact OD1-CB 3.31Å; D174-S176 PolarHBondContact OD1-N 3.47Å; D174-S176 PolarHBondContact OD1-OG 2.78Å; D174-S176 VanDerWaalsContact OD2-CB 3.3Å; D174-S176 WeakPolarHBondContact OD2-CB 3.41Å; D174-S176 PolarHBondContact OD2-OG 2.73Å
175	G	88.2	Confident	79.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	80.9	-3.8	-173.3	0	0	0	0	0	114.2	H172 A173 S188 H189	H172-G175 PolarHBondContact O-N 3.24Å; A173-G175 PolarHBondContact O-N 3.04Å; G175-S188 CarbonylContact O-C 3.48Å; G175-S188 VanDerWaalsContact O-CA 3.27Å; G175-S188 WeakPolarHBondContact O-CA 2.85Å; G175-H189 PolarHBondContact O-N 2.98Å
176	S	88.9	Confident	80.4	Confident	7 Å²	7	44.8 Å²	44.8	5%	0.049	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	137.5	176.6	-63.1	0	0	0	0	111	H172 D174 K185	H172-S176 WeakPolarHBondContact CB-O 3.39Å; H172-S176 PolarHBondContact CD2-O 3.23Å; H172-S176 PolarHBondContact N-O 2.96Å; D174-S176 VanDerWaalsContact C-N 3.26Å; D174-S176 VanDerWaalsContact CG-OG 3.26Å; D174-S176 PolarHBondContact O-N 3.49Å; D174-S176 WeakPolarHBondContact OD1-CB 3.31Å; D174-S176 PolarHBondContact OD1-N 3.47Å; D174-S176 PolarHBondContact OD1-OG 2.78Å; D174-S176 VanDerWaalsContact OD2-CB 3.3Å; D174-S176 WeakPolarHBondContact OD2-CB 3.41Å; D174-S176 PolarHBondContact OD2-OG 2.73Å; S176-K185 WeakPolarHBondContact OG-CE 3.39Å; S176-K185 PolarHBondContact OG-NZ 3.36Å
177	I	88.4	Confident	81.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.2	174.5	-60.2	161.8	0	0	0	107.9	L169 S170 F186 C187 H189 P193 L196 L203 A205	L169-I177 HydrophobicContact CB-CG2 4.41Å; L169-I177 HydrophobicContact CD2-CG2 4.1Å; S170-I177 WeakPolarHBondContact O-CA 3.12Å; I177-F186 WeakPolarHBondContact O-CB 2.89Å; I177-F186 PolarHBondContact O-N 3.02Å; I177-C187 PolarHBondContact N-O 2.95Å; I177-C187 PolarHBondContact O-N 3.4Å; I177-H189 HydrophobicContact CD1-CB 4.31Å; I177-P193 HydrophobicContact CD1-CG 4.35Å; I177-P193 HydrophobicContact CG1-CG 4.08Å; I177-L196 HydrophobicContact CD1-CD2 3.62Å; I177-L196 HydrophobicContact CG1-CD2 4.05Å; I177-L196 HydrophobicContact CG2-CD1 4.3Å; I177-L196 HydrophobicContact CG2-CD2 4.41Å; I177-L203 HydrophobicContact CD1-CD2 4.27Å; I177-L203 HydrophobicContact CG2-CD2 3.91Å; I177-A205 HydrophobicContact CD1-CB 3.87Å
178	F	85	Confident	82.8	Confident	46 Å²	46	41.1 Å²	41.1	20%	0.202	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.4	-178.1	-75.9	-101.9	0	0	0	110.9	Y149 L169 S170 H172 Q184 K185	Y149-F178 HydrophobicContact CD1-CD1 4.39Å; Y149-F178 HydrophobicContact CE1-CD1 4.23Å; L169-F178 CarbonylContact C-O 3.54Å; L169-F178 VanDerWaalsContact CA-O 3.31Å; L169-F178 WeakPolarHBondContact CA-O 3.45Å; S170-F178 PolarHBondContact N-O 2.82Å; S170-F178 PolarHBondContact O-N 2.72Å; H172-F178 AromaticContact CD2-CD2 3.59Å; H172-F178 AromaticContact NE2-CD2 3.71Å; H172-F178 AromaticContact NE2-CG 3.98Å; F178-Q184 WeakPolarHBondContact CD1-O 3.37Å; F178-K185 HydrophobicContact CD1-CB 4.22Å; F178-K185 HydrophobicContact CE1-CB 3.87Å; F178-K185 HydrophobicContact CE2-CB 4.43Å; F178-K185 HydrophobicContact CZ-CB 3.98Å
179	S	81.8	Confident	83.4	Confident	9 Å²	9	41.2 Å²	41.2	6%	0.063	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.7	176.7	-179.8	0	0	0	0	111.2	Y149 F181 F182 L183 Q184	Y149-S179 PolarHBondContact OH-O 3.06Å; S179-F181 PolarHBondContact O-N 3.31Å; S179-F181 PolarHBondContact OG-N 2.98Å; S179-F182 PolarHBondContact O-N 3.31Å; S179-L183 PolarHBondContact O-N 3.48Å; S179-Q184 PolarHBondContact N-O 2.67Å
180	S	75.1	Confident	83.7	Confident	16 Å²	16	44.4 Å²	44.4	11%	0.112	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.4	172.3	56.4	0	0	0	0	113.5	Y149 G167 F168 L183	Y149-S180 WeakPolarHBondContact OH-CA 3.25Å; Y149-S180 PolarHBondContact OH-N 2.77Å; G167-S180 WeakPolarHBondContact CA-OG 3.01Å; F168-S180 PolarHBondContact N-OG 2.89Å; F168-S180 WeakPolarHBondContact O-CB 3.3Å; F168-S180 PolarHBondContact O-N 3.47Å; F168-S180 PolarHBondContact O-OG 3.31Å; S180-L183 WeakPolarHBondContact O-CD2 3.28Å
181	F	70.6	Confident	84	Confident	137 Å²	137	46.2 Å²	46.2	60%	0.601	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-44.5	176.7	-173	-93.9	0	0	0	112	S179	S179-F181 PolarHBondContact O-N 3.31Å; S179-F181 PolarHBondContact OG-N 2.98Å
182	F	69.7	Low	84.1	Confident	89 Å²	89	46.9 Å²	46.9	39%	0.39	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-7.4	-177.2	-60.7	-70.2	0	0	0	114.2	S179 Q184 F186	S179-F182 PolarHBondContact O-N 3.31Å; F182-Q184 HydrophobicContact CB-CG 3.86Å; F182-Q184 PolarHBondContact O-N 2.94Å; F182-F186 AromaticContact CD2-CD2 3.85Å; F182-F186 HydrophobicContact CD2-CD2 3.85Å; F182-F186 HydrophobicContact CD2-CE2 4.18Å; F182-F186 AromaticContact CE2-CD2 3.91Å; F182-F186 HydrophobicContact CE2-CD2 3.91Å; F182-F186 AromaticContact CE2-CE2 3.74Å; F182-F186 HydrophobicContact CE2-CE2 3.74Å
183	L	72.7	Confident	84.3	Confident	115 Å²	115	46.7 Å²	46.7	60%	0.602	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	15.6	-175.1	-62.5	178.1	0	0	0	115.6	L148 Y149 S179 S180	L148-L183 HydrophobicContact CD2-CD2 4.43Å; Y149-L183 WeakPolarHBondContact OH-CA 3.28Å; S179-L183 PolarHBondContact O-N 3.48Å; S180-L183 WeakPolarHBondContact O-CD2 3.28Å
184	Q	78.5	Confident	84.6	Confident	121 Å²	121	47.5 Å²	47.5	57%	0.565	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136	176	-176.9	67.8	-175.1	-8.3	0	0	112.5	F178 S179 F182 F186	F178-Q184 WeakPolarHBondContact CD1-O 3.37Å; S179-Q184 PolarHBondContact N-O 2.67Å; F182-Q184 HydrophobicContact CB-CG 3.86Å; F182-Q184 PolarHBondContact O-N 2.94Å; Q184-F186 PolarHBondContact O-N 3.45Å
185	K	84.5	Confident	84.9	Confident	94 Å²	94	43.8 Å²	43.8	41%	0.409	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	124.5	170.4	179	170.7	174	164.7	0	108.5	S176 F178 C187 S188	S176-K185 WeakPolarHBondContact OG-CE 3.39Å; S176-K185 PolarHBondContact OG-NZ 3.36Å; F178-K185 HydrophobicContact CD1-CB 4.22Å; F178-K185 HydrophobicContact CE1-CB 3.87Å; F178-K185 HydrophobicContact CE2-CB 4.43Å; F178-K185 HydrophobicContact CZ-CB 3.98Å; K185-C187 WeakPolarHBondContact CE-O 3.33Å; K185-S188 PolarHBondContact NZ-OG 2.89Å
186	F	85.7	Confident	85	Confident	22 Å²	22	44 Å²	44	10%	0.096	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-52.3	-178.7	-177	-110.3	0	0	0	110.8	L169 I177 F182 Q184 W198 L203 D216 A217	L169-F186 HydrophobicContact CD2-CB 4.16Å; L169-F186 HydrophobicContact CD2-CD1 3.89Å; L169-F186 HydrophobicContact CD2-CG 4.01Å; I177-F186 WeakPolarHBondContact O-CB 2.89Å; I177-F186 PolarHBondContact O-N 3.02Å; F182-F186 AromaticContact CD2-CD2 3.85Å; F182-F186 HydrophobicContact CD2-CD2 3.85Å; F182-F186 HydrophobicContact CD2-CE2 4.18Å; F182-F186 AromaticContact CE2-CD2 3.91Å; F182-F186 HydrophobicContact CE2-CD2 3.91Å; F182-F186 AromaticContact CE2-CE2 3.74Å; F182-F186 HydrophobicContact CE2-CE2 3.74Å; Q184-F186 PolarHBondContact O-N 3.45Å; F186-W198 AromaticContact CE1-CZ3 3.96Å; F186-W198 HydrophobicContact CE1-CZ3 3.96Å; F186-W198 HydrophobicContact CZ-CH2 4.05Å; F186-W198 AromaticContact CZ-CZ3 3.8Å; F186-W198 HydrophobicContact CZ-CZ3 3.8Å; F186-L203 HydrophobicContact CD1-CD2 3.67Å; F186-L203 HydrophobicContact CE1-CB 4.13Å; F186-L203 HydrophobicContact CE1-CD2 3.74Å; F186-D216 WeakPolarHBondContact CZ-O 3.24Å; F186-A217 VanDerWaalsContact CE2-O 3.25Å; F186-A217 WeakPolarHBondContact CE2-O 3.31Å; F186-A217 WeakPolarHBondContact CZ-O 3.25Å
187	C	90.9	Very high	85.1	Confident	11 Å²	11	44.6 Å²	44.6	7%	0.074	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	-172	174.6	68.3	0	0	0	0	110.7	I177 K185 Y215 G219	I177-C187 PolarHBondContact N-O 2.95Å; I177-C187 PolarHBondContact O-N 3.4Å; K185-C187 WeakPolarHBondContact CE-O 3.33Å; C187-Y215 HydrophobicContact CB-CD1 3.79Å; C187-Y215 HydrophobicContact CB-CE1 3.87Å; C187-Y215 HydrophobicContact CB-CG 4.25Å; C187-G219 WeakPolarHBondContact CB-O 3.08Å
188	S	90.8	Very high	85.1	Confident	61 Å²	61	46.8 Å²	46.8	43%	0.427	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	139.6	167.6	36.1	0	0	0	0	113.1	G175 K185 Y215	G175-S188 CarbonylContact O-C 3.48Å; G175-S188 VanDerWaalsContact O-CA 3.27Å; G175-S188 WeakPolarHBondContact O-CA 2.85Å; K185-S188 PolarHBondContact NZ-OG 2.89Å; S188-Y215 PolarHBondContact O-OH 2.89Å
189	H	90.6	Very high	85.2	Confident	8 Å²	8	45 Å²	45	4%	0.037	23%	0.229	C	C	.	.			trans	-92.1	156.7	171.3	-161.3	-95.6	0	0	0	110.1	G175 I177 V191 D209	G175-H189 PolarHBondContact O-N 2.98Å; I177-H189 HydrophobicContact CD1-CB 4.31Å; H189-V191 WeakPolarHBondContact CB-O 3.32Å; H189-V191 PolarHBondContact ND1-O 2.95Å; H189-V191 VanDerWaalsContact ND1-O 3.17Å; H189-V191 PolarHBondContact O-N 3.49Å; H189-D209 IonicContact CE1-OD1 3.16Å; H189-D209 PolarHBondContact CE1-OD1 2.78Å; H189-D209 IonicContact CE1-OD2 2.81Å; H189-D209 PolarHBondContact CE1-OD2 2.98Å; H189-D209 VanDerWaalsContact CE1-OD2 3.25Å; H189-D209 IonicContact ND1-OD2 2.79Å
190	S	90.1	Very high	85.2	Confident	71 Å²	71	46.9 Å²	46.9	50%	0.497	24%	0.237	S	C	.	.	S	Bend	trans	-70	-14.1	-178	27.2	0	0	0	0	114.9	D209	S190-D209 PolarHBondContact OG-OD2 2.85Å
191	V	90.3	Very high	85.6	Confident	37 Å²	37	51.7 Å²	51.7	22%	0.224	26%	0.262	C	S	.	.	S	Bend	trans	-144.5	164.9	177.6	-65	0	0	0	0	108.8	H189 P193 D209	H189-V191 WeakPolarHBondContact CB-O 3.32Å; H189-V191 PolarHBondContact ND1-O 2.95Å; H189-V191 VanDerWaalsContact ND1-O 3.17Å; H189-V191 PolarHBondContact O-N 3.49Å; V191-P193 WeakPolarHBondContact O-CD 3.44Å; V191-P193 VanDerWaalsContact O-N 3.16Å; V191-D209 HydrophobicContact CG1-CB 3.96Å; V191-D209 HydrophobicContact CG2-CB 3.92Å
192	A	89.3	Confident	86.5	Confident	14 Å²	14	45.4 Å²	45.4	12%	0.116	23%	0.234	C	C	.	.			trans	-48.3	119.6	169.6	0	0	0	0	0	111.1	Y194	A192-Y194 HydrophobicContact CB-CE1 4.28Å; A192-Y194 VanDerWaalsContact O-CD1 3.32Å; A192-Y194 WeakPolarHBondContact O-CD1 3.18Å; A192-Y194 PolarHBondContact O-N 3.31Å
193	P	90.4	Very high	87.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	121.5	-176.7	29.3	-34.6	0	0	0	110.3	H158 H172 I177 V191 L196 A205 A206	H158-P193 WeakPolarHBondContact CB-O 3.26Å; H172-P193 WeakPolarHBondContact O-CD 3.31Å; I177-P193 HydrophobicContact CD1-CG 4.35Å; I177-P193 HydrophobicContact CG1-CG 4.08Å; V191-P193 WeakPolarHBondContact O-CD 3.44Å; V191-P193 VanDerWaalsContact O-N 3.16Å; P193-L196 HydrophobicContact CB-CD2 3.84Å; P193-L196 HydrophobicContact CB-CG 4.23Å; P193-L196 HydrophobicContact CG-CD2 4.1Å; P193-L196 HydrophobicContact CG-CG 4.36Å; P193-A205 HydrophobicContact CB-CB 4.48Å; P193-A206 CarbonylContact C-O 3.41Å; P193-A206 WeakPolarHBondContact CA-O 3.36Å
194	Y	89.7	Confident	88.5	Confident	61 Å²	61	35.7 Å²	35.7	24%	0.239	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-11.6	173.9	-57.7	-12.3	0	0	0	112.1	H158 L159 A192 A206 V236	H158-Y194 AromaticContact CE1-CE1 3.73Å; H158-Y194 AromaticContact ND1-CD1 3.6Å; H158-Y194 AromaticContact ND1-CE1 3.76Å; L159-Y194 WeakPolarHBondContact CD1-O 3.43Å; A192-Y194 HydrophobicContact CB-CE1 4.28Å; A192-Y194 VanDerWaalsContact O-CD1 3.32Å; A192-Y194 WeakPolarHBondContact O-CD1 3.18Å; A192-Y194 PolarHBondContact O-N 3.31Å; Y194-A206 PolarHBondContact N-O 3.12Å; Y194-V236 WeakPolarHBondContact CB-O 3.35Å
195	V	91	Very high	89.2	Confident	1 Å²	1	30 Å²	30	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.5	170.6	168.8	0	0	0	0	108.5	L159 L197 A205 A206 V236 A239 L250	L159-V195 VanDerWaalsContact CD1-CA 3.45Å; V195-L197 HydrophobicContact CG1-CG 4.22Å; V195-A205 WeakPolarHBondContact O-CA 3.45Å; V195-A206 HydrophobicContact CB-CB 4.16Å; V195-A206 PolarHBondContact N-O 3.27Å; V195-A206 PolarHBondContact O-N 2.96Å; V195-A206 VanDerWaalsContact O-N 3.11Å; V195-V236 HydrophobicContact CG2-CG1 3.81Å; V195-A239 HydrophobicContact CB-CB 4.25Å; V195-A239 HydrophobicContact CG1-CB 3.46Å; V195-A239 VanDerWaalsContact CG1-CB 3.46Å; V195-A239 HydrophobicContact CG2-CB 3.72Å; V195-L250 HydrophobicContact CG1-CD2 4.08Å
196	L	91.5	Very high	89.6	Confident	3 Å²	3	25.5 Å²	25.5	2%	0.016	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	129.9	162.1	-67.1	179.7	0	0	0	107.6	C161 G171 I177 P193 L203 I204 A205	C161-L196 HydrophobicContact CB-CB 4.41Å; C161-L196 WeakPolarHBondContact CB-O 3.25Å; G171-L196 VanDerWaalsContact N-CD1 3.34Å; I177-L196 HydrophobicContact CD1-CD2 3.62Å; I177-L196 HydrophobicContact CG1-CD2 4.05Å; I177-L196 HydrophobicContact CG2-CD1 4.3Å; I177-L196 HydrophobicContact CG2-CD2 4.41Å; P193-L196 HydrophobicContact CB-CD2 3.84Å; P193-L196 HydrophobicContact CB-CG 4.23Å; P193-L196 HydrophobicContact CG-CD2 4.1Å; P193-L196 HydrophobicContact CG-CG 4.36Å; L196-L203 HydrophobicContact CD2-CD1 4.16Å; L196-I204 CarbonylContact C-O 3.6Å; L196-I204 WeakPolarHBondContact CA-O 3.45Å; L196-A205 HydrophobicContact CD2-CB 3.69Å
197	L	90.9	Very high	89.8	Confident	20 Å²	20	24.4 Å²	24.4	11%	0.105	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	138.4	171.4	-63.2	179	0	0	0	109	V195 L203 I204 A239 L241 I248 L250	V195-L197 HydrophobicContact CG1-CG 4.22Å; L197-L203 WeakPolarHBondContact O-CD1 3.19Å; L197-I204 HydrophobicContact CB-CB 4.42Å; L197-I204 HydrophobicContact CB-CD1 4.16Å; L197-I204 PolarHBondContact N-O 2.87Å; L197-I204 PolarHBondContact O-N 3.2Å; L197-A239 HydrophobicContact CD1-CB 3.86Å; L197-A239 HydrophobicContact CD2-CB 4.47Å; L197-A239 HydrophobicContact CG-CB 4.24Å; L197-L241 HydrophobicContact CD1-CB 4.26Å; L197-L241 HydrophobicContact CD2-CB 4.06Å; L197-I248 HydrophobicContact CD1-CB 4Å; L197-I248 HydrophobicContact CD1-CG2 3.63Å; L197-L250 HydrophobicContact CD1-CD2 4.45Å
198	W	88.3	Confident	89.8	Confident	46 Å²	46	26.1 Å²	26.1	17%	0.174	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.1	172.5	-176.5	-94.2	0	0	0	109.7	L169 F186 T202 L203 A217 L241	L169-W198 HydrophobicContact CD1-CB 4.36Å; L169-W198 HydrophobicContact CD1-CD2 4.07Å; L169-W198 HydrophobicContact CD1-CE3 3.34Å; L169-W198 HydrophobicContact CD1-CZ3 3.85Å; F186-W198 AromaticContact CE1-CZ3 3.96Å; F186-W198 HydrophobicContact CE1-CZ3 3.96Å; F186-W198 HydrophobicContact CZ-CH2 4.05Å; F186-W198 AromaticContact CZ-CZ3 3.8Å; F186-W198 HydrophobicContact CZ-CZ3 3.8Å; W198-T202 WeakPolarHBondContact CA-O 3.38Å; W198-L203 HydrophobicContact CE3-CB 3.74Å; W198-L203 HydrophobicContact CZ3-CB 3.88Å; W198-A217 HydrophobicContact CH2-CB 4.33Å; W198-L241 VanDerWaalsContact O-CD2 3.27Å; W198-L241 WeakPolarHBondContact O-CD2 3.24Å
199	S	85.8	Confident	89.9	Confident	8 Å²	8	24.4 Å²	24.4	6%	0.056	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	154.1	171.9	-169.8	0	0	0	0	112.2	N201 T202 G245	S199-N201 PolarHBondContact O-N 2.85Å; S199-T202 PolarHBondContact N-O 2.87Å; S199-T202 WeakPolarHBondContact O-CA 3.48Å; S199-T202 PolarHBondContact O-N 3.1Å; S199-T202 PolarHBondContact O-OG1 3.27Å; S199-G245 VanDerWaalsContact OG-C 3.24Å; S199-G245 WeakPolarHBondContact OG-CA 3.4Å; S199-G245 PolarHBondContact OG-O 3.11Å
200	Q	82.2	Confident	89.9	Confident	50 Å²	50	27.5 Å²	27.5	23%	0.234	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	37	178.5	-49.2	-52.2	-61.8	0	0	113.1	T202 G245 Q246 W261 W268	Q200-T202 PolarHBondContact O-N 3.21Å; Q200-G245 PolarHBondContact NE2-O 2.93Å; Q200-Q246 VanDerWaalsContact CD-NE2 3.29Å; Q200-W261 HydrophobicContact CB-CD2 3.73Å; Q200-W261 HydrophobicContact CB-CE3 3.95Å; Q200-W261 HydrophobicContact CB-CG 4.13Å; Q200-W261 HydrophobicContact CB-CH2 4.32Å; Q200-W261 HydrophobicContact CB-CZ2 4.13Å; Q200-W261 HydrophobicContact CB-CZ3 4.24Å; Q200-W261 HydrophobicContact CG-CB 3.91Å; Q200-W261 HydrophobicContact CG-CD2 3.75Å; Q200-W261 HydrophobicContact CG-CE3 4.2Å; Q200-W261 HydrophobicContact CG-CG 3.61Å; Q200-W268 HydrophobicContact CB-CZ2 4.5Å; Q200-W268 HydrophobicContact CG-CH2 4.39Å; Q200-W268 HydrophobicContact CG-CZ2 4.08Å
201	N	84.2	Confident	90	Very high	117 Å²	117	28.3 Å²	28.3	63%	0.626	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	29.7	-172.2	-63.3	-1.3	0	0	0	113.5	S199 D216 A217	S199-N201 PolarHBondContact O-N 2.85Å; N201-D216 CarbonylContact O-C 3.56Å; N201-A217 HydrophobicContact CB-CB 4.26Å; N201-A217 PolarHBondContact O-N 3.47Å; N201-A217 VanDerWaalsContact O-N 3.1Å
202	T	89.9	Confident	90.1	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.025	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.3	173.7	65.6	0	0	0	0	111.8	W198 S199 Q200 V214 Y215 W261 W268	W198-T202 WeakPolarHBondContact CA-O 3.38Å; S199-T202 PolarHBondContact N-O 2.87Å; S199-T202 WeakPolarHBondContact O-CA 3.48Å; S199-T202 PolarHBondContact O-N 3.1Å; S199-T202 PolarHBondContact O-OG1 3.27Å; Q200-T202 PolarHBondContact O-N 3.21Å; T202-V214 HydrophobicContact CG2-CG1 3.99Å; T202-Y215 CarbonylContact C-O 3.58Å; T202-Y215 WeakPolarHBondContact CA-O 3.42Å; T202-Y215 VanDerWaalsContact CB-O 3.25Å; T202-Y215 WeakPolarHBondContact CB-O 3.48Å; T202-W261 HydrophobicContact CG2-CH2 4.01Å; T202-W261 HydrophobicContact CG2-CZ3 3.94Å; T202-W268 PolarHBondContact OG1-NE1 3.33Å
203	L	91.4	Very high	90.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.4	168.6	171.6	56.7	0	0	0	109.4	L169 I177 F186 L196 L197 W198 V214 Y215	L169-L203 HydrophobicContact CD1-CD1 3.92Å; L169-L203 HydrophobicContact CD1-CD2 4.29Å; L169-L203 HydrophobicContact CD2-CD2 4.39Å; I177-L203 HydrophobicContact CD1-CD2 4.27Å; I177-L203 HydrophobicContact CG2-CD2 3.91Å; F186-L203 HydrophobicContact CD1-CD2 3.67Å; F186-L203 HydrophobicContact CE1-CB 4.13Å; F186-L203 HydrophobicContact CE1-CD2 3.74Å; L196-L203 HydrophobicContact CD2-CD1 4.16Å; L197-L203 WeakPolarHBondContact O-CD1 3.19Å; W198-L203 HydrophobicContact CE3-CB 3.74Å; W198-L203 HydrophobicContact CZ3-CB 3.88Å; L203-V214 CarbonylContact O-C 3.5Å; L203-V214 VanDerWaalsContact O-CA 3.28Å; L203-V214 WeakPolarHBondContact O-CA 3.41Å; L203-Y215 HydrophobicContact CB-CD2 4.49Å; L203-Y215 HydrophobicContact CD2-CD2 4.33Å; L203-Y215 HydrophobicContact CG-CD2 4.29Å; L203-Y215 PolarHBondContact N-O 3.1Å; L203-Y215 PolarHBondContact O-N 3.35Å
204	I	92.6	Very high	90.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.4	167.9	-54.5	114.3	0	0	0	108.9	L196 L197 V212 V214 I248 W268	L196-I204 CarbonylContact C-O 3.6Å; L196-I204 WeakPolarHBondContact CA-O 3.45Å; L197-I204 HydrophobicContact CB-CB 4.42Å; L197-I204 HydrophobicContact CB-CD1 4.16Å; L197-I204 PolarHBondContact N-O 2.87Å; L197-I204 PolarHBondContact O-N 3.2Å; I204-V212 HydrophobicContact CG2-CG1 3.47Å; I204-V212 VanDerWaalsContact CG2-CG1 3.47Å; I204-V214 HydrophobicContact CG1-CG1 4.49Å; I204-V214 HydrophobicContact CG1-CG2 4.19Å; I204-I248 HydrophobicContact CD1-CD1 3.99Å; I204-I248 HydrophobicContact CD1-CG2 4.25Å; I204-I248 HydrophobicContact CG1-CD1 4.16Å; I204-I248 HydrophobicContact CG2-CD1 4.26Å; I204-W268 HydrophobicContact CD1-CH2 4.49Å; I204-W268 HydrophobicContact CD1-CZ2 3.78Å
205	A	93.2	Very high	90.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.1	171.3	0	0	0	0	0	110.8	I177 P193 V195 L196 V212 L213 Y215	I177-A205 HydrophobicContact CD1-CB 3.87Å; P193-A205 HydrophobicContact CB-CB 4.48Å; V195-A205 WeakPolarHBondContact O-CA 3.45Å; L196-A205 HydrophobicContact CD2-CB 3.69Å; A205-V212 WeakPolarHBondContact O-CA 3.37Å; A205-L213 PolarHBondContact N-O 2.97Å; A205-L213 PolarHBondContact O-N 2.85Å; A205-Y215 HydrophobicContact CB-CE2 4.09Å
206	A	93.3	Very high	90.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	162.5	173.5	0	0	0	0	0	111.3	P193 Y194 V195 R211 V212 V236	P193-A206 CarbonylContact C-O 3.41Å; P193-A206 WeakPolarHBondContact CA-O 3.36Å; Y194-A206 PolarHBondContact N-O 3.12Å; V195-A206 HydrophobicContact CB-CB 4.16Å; V195-A206 PolarHBondContact N-O 3.27Å; V195-A206 PolarHBondContact O-N 2.96Å; V195-A206 VanDerWaalsContact O-N 3.11Å; A206-R211 WeakPolarHBondContact CA-O 3.09Å; A206-R211 VanDerWaalsContact CB-O 3.29Å; A206-R211 WeakPolarHBondContact CB-O 3.46Å; A206-V212 HydrophobicContact CB-CB 4.41Å; A206-V212 HydrophobicContact CB-CG1 4.48Å; A206-V212 HydrophobicContact CB-CG2 4.01Å; A206-V236 HydrophobicContact CB-CB 3.86Å; A206-V236 HydrophobicContact CB-CG1 4Å; A206-V236 HydrophobicContact CB-CG2 4.26Å
207	G	90.3	Very high	90.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168	-144.5	178.7	0	0	0	0	0	114.7	D209 R210 V236	G207-D209 VanDerWaalsContact C-N 3.3Å; G207-D209 PolarHBondContact O-N 3.48Å; G207-R210 PolarHBondContact O-N 2.78Å; G207-V236 PolarHBondContact O-N 2.89Å
208	S	91.1	Very high	90.2	Very high	46 Å²	46	32.6 Å²	32.6	32%	0.322	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.9	-174.4	55.9	0	0	0	0	115.7	R210	S208-R210 PolarHBondContact O-N 2.9Å
209	D	90.9	Very high	90.1	Very high	26 Å²	26	31 Å²	31	14%	0.139	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-2.2	179.3	62.9	-0.7	0	0	0	114	H189 S190 V191 G207 R211	H189-D209 IonicContact CE1-OD1 3.16Å; H189-D209 PolarHBondContact CE1-OD1 2.78Å; H189-D209 IonicContact CE1-OD2 2.81Å; H189-D209 PolarHBondContact CE1-OD2 2.98Å; H189-D209 VanDerWaalsContact CE1-OD2 3.25Å; H189-D209 IonicContact ND1-OD2 2.79Å; S190-D209 PolarHBondContact OG-OD2 2.85Å; V191-D209 HydrophobicContact CG1-CB 3.96Å; V191-D209 HydrophobicContact CG2-CB 3.92Å; G207-D209 VanDerWaalsContact C-N 3.3Å; G207-D209 PolarHBondContact O-N 3.48Å; D209-R211 PolarHBondContact O-N 3.17Å; D209-R211 PolarHBondContact OD1-N 3.23Å; D209-R211 VanDerWaalsContact OD1-N 3.08Å
210	R	92	Very high	90.4	Very high	73 Å²	73	35 Å²	35	28%	0.275	18%	0.184	S	C	.	.	S	Bend	trans	62.4	28.7	-179	-52.7	177.5	-76.6	147.5	7.8	112.6	G207 S208 Y227 A228 E230 D233 R234	G207-R210 PolarHBondContact O-N 2.78Å; S208-R210 PolarHBondContact O-N 2.9Å; R210-Y227 WeakPolarHBondContact O-CA 3.43Å; R210-Y227 WeakPolarHBondContact O-CB 3.39Å; R210-Y227 PolarHBondContact O-N 2.97Å; R210-A228 PolarHBondContact NH1-O 3.2Å; R210-A228 VanDerWaalsContact NH1-O 3.09Å; R210-A228 PolarHBondContact NH2-O 3.09Å; R210-E230 PolarHBondContact NH1-O 3.33Å; R210-D233 WeakPolarHBondContact CD-O 3.36Å; R210-D233 PolarHBondContact NH1-O 2.96Å; R210-R234 WeakPolarHBondContact CG-O 3.38Å
211	R	91.4	Very high	91	Very high	87 Å²	87	37.1 Å²	37.1	33%	0.328	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	147.4	173.3	-63.7	171.9	179	-179.4	0.1	109.6	A206 D209 L213 L225	A206-R211 WeakPolarHBondContact CA-O 3.09Å; A206-R211 VanDerWaalsContact CB-O 3.29Å; A206-R211 WeakPolarHBondContact CB-O 3.46Å; D209-R211 PolarHBondContact O-N 3.17Å; D209-R211 PolarHBondContact OD1-N 3.23Å; D209-R211 VanDerWaalsContact OD1-N 3.08Å; R211-L213 HydrophobicContact CB-CD2 4.28Å; R211-L213 HydrophobicContact CB-CG 4.47Å; R211-L225 WeakPolarHBondContact CA-O 3.13Å
212	V	92.5	Very high	91.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	110.4	166.5	-175	0	0	0	0	105.7	I204 A205 A206 L225 Y227 V236 L250	I204-V212 HydrophobicContact CG2-CG1 3.47Å; I204-V212 VanDerWaalsContact CG2-CG1 3.47Å; A205-V212 WeakPolarHBondContact O-CA 3.37Å; A206-V212 HydrophobicContact CB-CB 4.41Å; A206-V212 HydrophobicContact CB-CG1 4.48Å; A206-V212 HydrophobicContact CB-CG2 4.01Å; V212-L225 HydrophobicContact CB-CB 4.2Å; V212-L225 HydrophobicContact CB-CD1 4.39Å; V212-L225 HydrophobicContact CG1-CD1 4.47Å; V212-L225 PolarHBondContact N-O 3.24Å; V212-L225 PolarHBondContact O-N 3.06Å; V212-Y227 HydrophobicContact CG2-CD2 4.42Å; V212-Y227 HydrophobicContact CG2-CE2 4.06Å; V212-V236 HydrophobicContact CG2-CG2 4.41Å; V212-L250 HydrophobicContact CB-CD1 4.33Å; V212-L250 HydrophobicContact CG1-CD1 3.77Å; V212-L250 HydrophobicContact CG2-CD1 3.58Å
213	L	94.5	Very high	91.3	Very high	13 Å²	13	38.2 Å²	38.2	7%	0.068	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.6	178.5	-56.9	-173.1	0	0	0	108.4	A205 R211 Y215 L221 Q224	A205-L213 PolarHBondContact N-O 2.97Å; A205-L213 PolarHBondContact O-N 2.85Å; R211-L213 HydrophobicContact CB-CD2 4.28Å; R211-L213 HydrophobicContact CB-CG 4.47Å; L213-Y215 HydrophobicContact CB-CE2 3.75Å; L213-Y215 WeakPolarHBondContact CD1-OH 3.33Å; L213-L221 HydrophobicContact CB-CD1 3.92Å; L213-L221 HydrophobicContact CD2-CD1 4.1Å; L213-L221 HydrophobicContact CG-CD1 4.4Å; L213-Q224 HydrophobicContact CD2-CB 3.91Å; L213-Q224 HydrophobicContact CD2-CG 3.56Å
214	V	93.7	Very high	91.4	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.3	174.4	-174.6	0	0	0	0	107.3	T202 L203 I204 F222 Q223	T202-V214 HydrophobicContact CG2-CG1 3.99Å; L203-V214 CarbonylContact O-C 3.5Å; L203-V214 VanDerWaalsContact O-CA 3.28Å; L203-V214 WeakPolarHBondContact O-CA 3.41Å; I204-V214 HydrophobicContact CG1-CG1 4.49Å; I204-V214 HydrophobicContact CG1-CG2 4.19Å; V214-F222 HydrophobicContact CG1-CD1 4.27Å; V214-F222 WeakPolarHBondContact O-CA 3.19Å; V214-F222 WeakPolarHBondContact O-CB 3.27Å; V214-F222 PolarHBondContact O-N 2.86Å; V214-Q223 HydrophobicContact CB-CB 3.95Å; V214-Q223 HydrophobicContact CG2-CB 4.19Å; V214-Q223 PolarHBondContact N-O 3.02Å; V214-Q223 PolarHBondContact O-N 3.21Å
215	Y	92.6	Very high	91.2	Very high	11 Å²	11	44.1 Å²	44.1	4%	0.043	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	150.9	173.8	-51.7	-97	0	0	0	109.8	C187 S188 T202 L203 A205 L213 G219 N220 L221	C187-Y215 HydrophobicContact CB-CD1 3.79Å; C187-Y215 HydrophobicContact CB-CE1 3.87Å; C187-Y215 HydrophobicContact CB-CG 4.25Å; S188-Y215 PolarHBondContact O-OH 2.89Å; T202-Y215 CarbonylContact C-O 3.58Å; T202-Y215 WeakPolarHBondContact CA-O 3.42Å; T202-Y215 VanDerWaalsContact CB-O 3.25Å; T202-Y215 WeakPolarHBondContact CB-O 3.48Å; L203-Y215 HydrophobicContact CB-CD2 4.49Å; L203-Y215 HydrophobicContact CD2-CD2 4.33Å; L203-Y215 HydrophobicContact CG-CD2 4.29Å; L203-Y215 PolarHBondContact N-O 3.1Å; L203-Y215 PolarHBondContact O-N 3.35Å; A205-Y215 HydrophobicContact CB-CE2 4.09Å; L213-Y215 HydrophobicContact CB-CE2 3.75Å; L213-Y215 WeakPolarHBondContact CD1-OH 3.33Å; Y215-G219 WeakPolarHBondContact CD1-O 3Å; Y215-N220 CarbonylContact C-O 3.33Å; Y215-N220 WeakPolarHBondContact CA-O 3.44Å; Y215-N220 WeakPolarHBondContact CB-O 3.46Å; Y215-L221 HydrophobicContact CD1-CB 4.48Å; Y215-L221 HydrophobicContact CE1-CD1 4.25Å
216	D	90.5	Very high	90.9	Very high	36 Å²	36	47.3 Å²	47.3	19%	0.193	24%	0.242	C	C	.	.			trans	-74	-176.2	171	64.3	20.1	0	0	0	111.7	F186 N201 D218 G219 N220 F222	F186-D216 WeakPolarHBondContact CZ-O 3.24Å; N201-D216 CarbonylContact O-C 3.56Å; D216-D218 PolarHBondContact O-N 2.92Å; D216-D218 WeakPolarHBondContact OD1-CA 3.37Å; D216-D218 PolarHBondContact OD1-N 2.97Å; D216-G219 PolarHBondContact O-N 3.31Å; D216-G219 PolarHBondContact OD1-N 3.44Å; D216-N220 PolarHBondContact N-O 2.83Å; D216-N220 PolarHBondContact OD1-N 3.05Å; D216-N220 PolarHBondContact OD1-ND2 2.99Å; D216-N220 WeakPolarHBondContact OD2-CB 3.13Å; D216-N220 PolarHBondContact OD2-ND2 3.46Å; D216-F222 HydrophobicContact CB-CB 4.27Å; D216-F222 HydrophobicContact CB-CD2 4.33Å
217	A	86	Confident	90.6	Very high	34 Å²	34	48 Å²	48	28%	0.281	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.9	179.5	0	0	0	0	0	114.3	F186 W198 N201	F186-A217 VanDerWaalsContact CE2-O 3.25Å; F186-A217 WeakPolarHBondContact CE2-O 3.31Å; F186-A217 WeakPolarHBondContact CZ-O 3.25Å; W198-A217 HydrophobicContact CH2-CB 4.33Å; N201-A217 HydrophobicContact CB-CB 4.26Å; N201-A217 PolarHBondContact O-N 3.47Å; N201-A217 VanDerWaalsContact O-N 3.1Å
218	D	87.1	Confident	90.2	Very high	129 Å²	129	49 Å²	49	69%	0.69	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-5.9	179.5	-61.7	-53.9	0	0	0	112.2	D216	D216-D218 PolarHBondContact O-N 2.92Å; D216-D218 WeakPolarHBondContact OD1-CA 3.37Å; D216-D218 PolarHBondContact OD1-N 2.97Å
219	G	87.4	Confident	89.6	Confident	12 Å²	12	54.1 Å²	54.1	12%	0.124	28%	0.277	C	S	.	.	S	Bend	trans	93.8	5.4	177.3	0	0	0	0	0	114.8	C187 Y215 D216	C187-G219 WeakPolarHBondContact CB-O 3.08Å; Y215-G219 WeakPolarHBondContact CD1-O 3Å; D216-G219 PolarHBondContact O-N 3.31Å; D216-G219 PolarHBondContact OD1-N 3.44Å
220	N	92.5	Very high	89.2	Confident	94 Å²	94	56.8 Å²	56.8	50%	0.503	29%	0.289	S	S	.	.			trans	-78.6	149.9	176.4	-44.8	-72.8	0	0	0	110.7	Y215 D216 F222	Y215-N220 CarbonylContact C-O 3.33Å; Y215-N220 WeakPolarHBondContact CA-O 3.44Å; Y215-N220 WeakPolarHBondContact CB-O 3.46Å; D216-N220 PolarHBondContact N-O 2.83Å; D216-N220 PolarHBondContact OD1-N 3.05Å; D216-N220 PolarHBondContact OD1-ND2 2.99Å; D216-N220 WeakPolarHBondContact OD2-CB 3.13Å; D216-N220 PolarHBondContact OD2-ND2 3.46Å; N220-F222 PolarHBondContact O-N 3.38Å; N220-F222 VanDerWaalsContact O-N 3.11Å
221	L	93.3	Very high	88.5	Confident	94 Å²	94	58.9 Å²	58.9	49%	0.492	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	111.2	176	-177.7	68.6	0	0	0	110.3	L213 Y215	L213-L221 HydrophobicContact CB-CD1 3.92Å; L213-L221 HydrophobicContact CD2-CD1 4.1Å; L213-L221 HydrophobicContact CG-CD1 4.4Å; Y215-L221 HydrophobicContact CD1-CB 4.48Å; Y215-L221 HydrophobicContact CE1-CD1 4.25Å
222	F	89.6	Confident	87.9	Confident	96 Å²	96	59.3 Å²	59.3	42%	0.421	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-43.7	-176.5	-177.9	-96.3	0	0	0	112.6	V214 D216 N220 S266	V214-F222 HydrophobicContact CG1-CD1 4.27Å; V214-F222 WeakPolarHBondContact O-CA 3.19Å; V214-F222 WeakPolarHBondContact O-CB 3.27Å; V214-F222 PolarHBondContact O-N 2.86Å; D216-F222 HydrophobicContact CB-CB 4.27Å; D216-F222 HydrophobicContact CB-CD2 4.33Å; N220-F222 PolarHBondContact O-N 3.38Å; N220-F222 VanDerWaalsContact O-N 3.11Å; F222-S266 WeakPolarHBondContact CE1-O 3.15Å; F222-S266 WeakPolarHBondContact CZ-O 3.4Å
223	Q	91.4	Very high	87.4	Confident	48 Å²	48	59.4 Å²	59.4	22%	0.224	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	145.4	-179.4	-176.8	-177.7	4	0	0	110.1	V214 W268	V214-Q223 HydrophobicContact CB-CB 3.95Å; V214-Q223 HydrophobicContact CG2-CB 4.19Å; V214-Q223 PolarHBondContact N-O 3.02Å; V214-Q223 PolarHBondContact O-N 3.21Å; Q223-W268 PolarHBondContact NE2-O 2.88Å; Q223-W268 PolarHBondContact OE1-O 3.39Å
224	Q	92.4	Very high	87.1	Confident	94 Å²	94	65.8 Å²	65.8	44%	0.439	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.6	175.5	171.2	169.2	9.6	0	0	110.3	L213 N226	L213-Q224 HydrophobicContact CD2-CB 3.91Å; L213-Q224 HydrophobicContact CD2-CG 3.56Å; Q224-N226 HydrophobicContact CG-CB 4.49Å
225	L	88.9	Confident	86.9	Confident	30 Å²	30	69.1 Å²	69.1	16%	0.157	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.8	170.3	-53.4	162.5	0	0	0	107.1	R211 V212 Y227 Y259	R211-L225 WeakPolarHBondContact CA-O 3.13Å; V212-L225 HydrophobicContact CB-CB 4.2Å; V212-L225 HydrophobicContact CB-CD1 4.39Å; V212-L225 HydrophobicContact CG1-CD1 4.47Å; V212-L225 PolarHBondContact N-O 3.24Å; V212-L225 PolarHBondContact O-N 3.06Å; L225-Y227 HydrophobicContact CB-CE2 3.79Å; L225-Y259 HydrophobicContact CD1-CD1 3.97Å; L225-Y259 HydrophobicContact CD1-CE1 3.51Å
226	N	87.3	Confident	86.9	Confident	68 Å²	68	69.2 Å²	69.2	36%	0.364	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	106.3	-169.2	-179.8	20.4	0	0	0	111	Q224 A228	Q224-N226 HydrophobicContact CG-CB 4.49Å; N226-A228 VanDerWaalsContact OD1-CB 3.24Å; N226-A228 WeakPolarHBondContact OD1-CB 3.44Å; N226-A228 PolarHBondContact OD1-N 3.41Å
227	Y	86.2	Confident	87	Confident	13 Å²	13	69.7 Å²	69.7	5%	0.051	37%	0.37	C	S	.	.			trans	-99.8	8.1	-178.8	-55.8	-73.4	0	0	0	112.6	R210 V212 L225 N229 E230 D233 Y259 E270	R210-Y227 WeakPolarHBondContact O-CA 3.43Å; R210-Y227 WeakPolarHBondContact O-CB 3.39Å; R210-Y227 PolarHBondContact O-N 2.97Å; V212-Y227 HydrophobicContact CG2-CD2 4.42Å; V212-Y227 HydrophobicContact CG2-CE2 4.06Å; L225-Y227 HydrophobicContact CB-CE2 3.79Å; Y227-N229 PolarHBondContact O-N 2.91Å; Y227-N229 VanDerWaalsContact O-N 3.12Å; Y227-E230 WeakPolarHBondContact CD1-OE1 3.42Å; Y227-E230 PolarHBondContact O-N 3.15Å; Y227-D233 WeakPolarHBondContact CB-OD2 3.16Å; Y227-Y259 WeakPolarHBondContact CE2-OH 3.39Å; Y227-Y259 PolarHBondContact OH-OH 2.75Å; Y227-E270 PolarHBondContact OH-OE2 3.28Å
228	A	81.9	Confident	87.3	Confident	23 Å²	23	68.6 Å²	68.6	19%	0.19	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.8	-178	0	0	0	0	0	114.1	R210 N226	R210-A228 PolarHBondContact NH1-O 3.2Å; R210-A228 VanDerWaalsContact NH1-O 3.09Å; R210-A228 PolarHBondContact NH2-O 3.09Å; N226-A228 VanDerWaalsContact OD1-CB 3.24Å; N226-A228 WeakPolarHBondContact OD1-CB 3.44Å; N226-A228 PolarHBondContact OD1-N 3.41Å
229	N	80.2	Confident	87.7	Confident	152 Å²	152	63.5 Å²	63.5	81%	0.813	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-13.7	178.5	-65.8	-5.9	0	0	0	113.1	Y227 S231	Y227-N229 PolarHBondContact O-N 2.91Å; Y227-N229 VanDerWaalsContact O-N 3.12Å; N229-S231 PolarHBondContact O-N 2.97Å
230	E	81.4	Confident	87.9	Confident	83 Å²	83	63.3 Å²	63.3	39%	0.388	33%	0.333	S	S	.	.			trans	-81.1	117.7	176.4	-73.2	-174	-136.7	0	0	109.9	R210 Y227 T232 D233 R257	R210-E230 PolarHBondContact NH1-O 3.33Å; Y227-E230 WeakPolarHBondContact CD1-OE1 3.42Å; Y227-E230 PolarHBondContact O-N 3.15Å; E230-T232 PolarHBondContact O-N 3.11Å; E230-D233 HydrophobicContact CB-CB 3.93Å; E230-D233 WeakPolarHBondContact CB-OD2 3.13Å; E230-D233 PolarHBondContact O-N 3.12Å; E230-D233 VanDerWaalsContact O-N 3.1Å; E230-R257 IonicContact OE1-NH2 3.05Å; E230-R257 PolarHBondContact OE1-NH2 3.13Å; E230-R257 IonicContact OE2-NH2 3.49Å; E230-R257 PolarHBondContact OE2-NH2 3.26Å
231	S	76.5	Confident	87.8	Confident	117 Å²	117	61.3 Å²	61.3	82%	0.818	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.2	-176.8	57.3	0	0	0	0	113.8	N229	N229-S231 PolarHBondContact O-N 2.97Å
232	T	80.2	Confident	87.5	Confident	96 Å²	96	57 Å²	57	59%	0.589	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.9	176.3	72.6	0	0	0	0	113.2	E230 K255	E230-T232 PolarHBondContact O-N 3.11Å; T232-K255 PolarHBondContact O-NZ 3.2Å; T232-K255 VanDerWaalsContact O-NZ 3.15Å; T232-K255 PolarHBondContact OG1-NZ 3.13Å
233	D	81	Confident	87	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	29%	0.293	C	S	.	.			trans	-89.5	134.3	177.1	-93	-43.6	0	0	0	112.6	R210 Y227 E230 K255 R257	R210-D233 WeakPolarHBondContact CD-O 3.36Å; R210-D233 PolarHBondContact NH1-O 2.96Å; Y227-D233 WeakPolarHBondContact CB-OD2 3.16Å; E230-D233 HydrophobicContact CB-CB 3.93Å; E230-D233 WeakPolarHBondContact CB-OD2 3.13Å; E230-D233 PolarHBondContact O-N 3.12Å; E230-D233 VanDerWaalsContact O-N 3.1Å; D233-K255 VanDerWaalsContact CG-NZ 3.29Å; D233-K255 WeakPolarHBondContact OD1-CE 3.38Å; D233-K255 IonicContact OD1-NZ 2.76Å; D233-K255 PolarHBondContact OD1-NZ 3.05Å; D233-K255 IonicContact OD2-NZ 2.68Å; D233-R257 IonicContact OD1-CZ 2.67Å; D233-R257 IonicContact OD1-NH1 2.87Å; D233-R257 PolarHBondContact OD1-NH1 3.17Å; D233-R257 IonicContact OD2-CZ 3.89Å; D233-R257 IonicContact OD2-NH1 2.89Å; D233-R257 PolarHBondContact OD2-NH1 2.88Å; D233-R257 IonicContact OD2-NH2 2.92Å; D233-R257 PolarHBondContact OD2-NH2 3.27Å
234	R	88.8	Confident	85.9	Confident	146 Å²	146	52.3 Å²	52.3	55%	0.551	29%	0.285	S	S	*	.			trans	-115.7	178.5	173.9	-61.6	-60.2	-172.8	154.7	-1	108.9	R210 S252 Y253	R210-R234 WeakPolarHBondContact CG-O 3.38Å; R234-S252 PolarHBondContact O-OG 3.18Å; R234-Y253 HydrophobicContact CB-CG 4.48Å; R234-Y253 VanDerWaalsContact CG-CB 3.48Å; R234-Y253 HydrophobicContact CG-CD2 4.29Å; R234-Y253 HydrophobicContact CG-CG 3.92Å
235	E	90.4	Very high	85.3	Confident	72 Å²	72	48.1 Å²	48.1	34%	0.336	27%	0.266	S	S	.	.			trans	-48.6	149.8	175	57.1	-124.8	-130.1	0	0	113.7	S252	E235-S252 WeakPolarHBondContact O-CA 3.42Å; E235-S252 WeakPolarHBondContact O-CB 3.43Å; E235-S252 PolarHBondContact O-OG 2.87Å
236	V	92.8	Very high	84.9	Confident	12 Å²	12	48.2 Å²	48.2	7%	0.073	27%	0.266	C	S	.	.			trans	-90.1	118.1	166.8	-176.8	0	0	0	0	106.5	Y194 V195 A206 G207 V212 L250 G251	Y194-V236 WeakPolarHBondContact CB-O 3.35Å; V195-V236 HydrophobicContact CG2-CG1 3.81Å; A206-V236 HydrophobicContact CB-CB 3.86Å; A206-V236 HydrophobicContact CB-CG1 4Å; A206-V236 HydrophobicContact CB-CG2 4.26Å; G207-V236 PolarHBondContact O-N 2.89Å; V212-V236 HydrophobicContact CG2-CG2 4.41Å; V236-L250 HydrophobicContact CG1-CB 3.94Å; V236-G251 WeakPolarHBondContact CA-O 3.25Å
237	N	91.6	Very high	84.8	Confident	47 Å²	47	45 Å²	45	25%	0.251	25%	0.249	S	C	.	.			trans	-118.3	-17.3	-167.8	-177.8	73.3	0	0	0	113.8	G251 T281 I282	N237-G251 PolarHBondContact N-O 3.23Å; N237-T281 HydrophobicContact CB-CG2 3.58Å; N237-T281 WeakPolarHBondContact ND2-CG2 3.17Å; N237-I282 PolarHBondContact ND2-O 2.7Å; N237-I282 VanDerWaalsContact ND2-O 3.1Å
238	S	93	Very high	85.1	Confident	10 Å²	10	44.6 Å²	44.6	7%	0.07	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	161.2	177	54.2	0	0	0	0	110.5	G251 I282 M285	S238-G251 PolarHBondContact O-N 3.46Å; S238-I282 WeakPolarHBondContact OG-CG2 3.47Å; S238-I282 PolarHBondContact OG-O 3.33Å; S238-M285 WeakPolarHBondContact OG-CG 3.43Å
239	A	94	Very high	85.7	Confident	23 Å²	23	43.5 Å²	43.5	19%	0.19	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	161.2	177.9	0	0	0	0	0	111.9	V195 L197 A249 L250	V195-A239 HydrophobicContact CB-CB 4.25Å; V195-A239 HydrophobicContact CG1-CB 3.46Å; V195-A239 VanDerWaalsContact CG1-CB 3.46Å; V195-A239 HydrophobicContact CG2-CB 3.72Å; L197-A239 HydrophobicContact CD1-CB 3.86Å; L197-A239 HydrophobicContact CD2-CB 4.47Å; L197-A239 HydrophobicContact CG-CB 4.24Å; A239-A249 CarbonylContact C-O 3.56Å; A239-A249 WeakPolarHBondContact CA-O 3.38Å; A239-A249 WeakPolarHBondContact CB-O 3.36Å; A239-L250 HydrophobicContact CB-CD2 3.52Å
240	A	92.9	Very high	86.4	Confident	7 Å²	7	36.5 Å²	36.5	6%	0.058	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.3	168.6	0	0	0	0	0	110.6	I248 A249 M285 W287 I294	A240-I248 CarbonylContact O-C 3.31Å; A240-I248 WeakPolarHBondContact O-CA 3.5Å; A240-A249 PolarHBondContact N-O 3.34Å; A240-A249 PolarHBondContact O-N 3.11Å; A240-M285 HydrophobicContact CB-CB 4.12Å; A240-W287 HydrophobicContact CB-CB 4.21Å; A240-W287 HydrophobicContact CB-CE3 4.16Å; A240-I294 HydrophobicContact CB-CD1 3.99Å; A240-I294 HydrophobicContact CB-CG1 4.5Å
241	L	89.6	Confident	87	Confident	53 Å²	53	32.5 Å²	32.5	28%	0.277	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	138.9	170.8	177.2	64.5	0	0	0	109.2	L197 W198 I248 W287	L197-L241 HydrophobicContact CD1-CB 4.26Å; L197-L241 HydrophobicContact CD2-CB 4.06Å; W198-L241 VanDerWaalsContact O-CD2 3.27Å; W198-L241 WeakPolarHBondContact O-CD2 3.24Å; L241-I248 HydrophobicContact CB-CG2 4.49Å; L241-I248 HydrophobicContact CD1-CG2 3.46Å; L241-I248 VanDerWaalsContact CD1-CG2 3.46Å; L241-W287 WeakPolarHBondContact O-CB 3.1Å
242	S	86.5	Confident	87.8	Confident	3 Å²	3	27.3 Å²	27.3	2%	0.021	15%	0.146	C	C	.	.			trans	-70.2	142.4	172.4	78.3	0	0	0	0	110.3	G244 G245 S247 W287	S242-G244 PolarHBondContact O-N 2.91Å; S242-G244 VanDerWaalsContact O-N 3.09Å; S242-G245 WeakPolarHBondContact O-CA 3.41Å; S242-G245 PolarHBondContact O-N 3Å; S242-S247 WeakPolarHBondContact CB-O 3.25Å; S242-S247 PolarHBondContact N-O 2.88Å; S242-S247 PolarHBondContact OG-N 3.34Å; S242-S247 VanDerWaalsContact OG-N 3.17Å; S242-S247 PolarHBondContact OG-O 2.68Å; S242-W287 VanDerWaalsContact CB-CZ2 3.5Å
243	P	80	Confident	88.4	Confident	41 Å²	41	26.6 Å²	26.6	27%	0.266	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-35.4	-179.9	-30.9	33.9	0	0	0	114.9	G245 K288 S289 S291 R336	P243-G245 PolarHBondContact O-N 2.76Å; P243-K288 VanDerWaalsContact CG-O 3.31Å; P243-K288 WeakPolarHBondContact CG-O 3.48Å; P243-S289 WeakPolarHBondContact CB-O 3.38Å; P243-S289 VanDerWaalsContact CG-O 3.28Å; P243-S289 WeakPolarHBondContact CG-O 3.33Å; P243-S291 WeakPolarHBondContact CD-OG 3.1Å; P243-R336 PolarHBondContact O-NH1 3.38Å
244	G	68	Low	89.1	Confident	5 Å²	5	28.4 Å²	28.4	5%	0.052	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-6.7	175.5	0	0	0	0	0	115.1	S242 Q246	S242-G244 PolarHBondContact O-N 2.91Å; S242-G244 VanDerWaalsContact O-N 3.09Å; G244-Q246 PolarHBondContact O-N 3.31Å
245	G	80	Confident	89.3	Confident	5 Å²	5	21.9 Å²	21.9	5%	0.052	12%	0.118	C	C	.	.	S	Bend	trans	76.7	-12.5	-177.9	0	0	0	0	0	115.2	S199 Q200 S242 P243 S247 W268	S199-G245 VanDerWaalsContact OG-C 3.24Å; S199-G245 WeakPolarHBondContact OG-CA 3.4Å; S199-G245 PolarHBondContact OG-O 3.11Å; Q200-G245 PolarHBondContact NE2-O 2.93Å; S242-G245 WeakPolarHBondContact O-CA 3.41Å; S242-G245 PolarHBondContact O-N 3Å; P243-G245 PolarHBondContact O-N 2.76Å; G245-S247 VanDerWaalsContact C-N 3.32Å; G245-S247 PolarHBondContact O-N 2.65Å; G245-W268 WeakPolarHBondContact O-CH2 3.25Å
246	Q	80	Confident	89.5	Confident	33 Å²	33	18.5 Å²	18.5	15%	0.154	10%	0.102	C	C	.	.	S	Bend	trans	-82.7	-2.3	-170.3	-62.1	-60.2	-21.7	0	0	114.5	Q200 G244 S260 W261	Q200-Q246 VanDerWaalsContact CD-NE2 3.29Å; G244-Q246 PolarHBondContact O-N 3.31Å; Q246-S260 WeakPolarHBondContact O-CA 3.47Å; Q246-W261 PolarHBondContact O-N 3.28Å
247	S	86.9	Confident	89.5	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.007	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	149.4	179.7	-62.2	0	0	0	0	112	S242 G245 Y259 S260 L310	S242-S247 WeakPolarHBondContact CB-O 3.25Å; S242-S247 PolarHBondContact N-O 2.88Å; S242-S247 PolarHBondContact OG-N 3.34Å; S242-S247 VanDerWaalsContact OG-N 3.17Å; S242-S247 PolarHBondContact OG-O 2.68Å; G245-S247 VanDerWaalsContact C-N 3.32Å; G245-S247 PolarHBondContact O-N 2.65Å; S247-Y259 CarbonylContact C-O 3.56Å; S247-Y259 WeakPolarHBondContact CA-O 3.27Å; S247-Y259 WeakPolarHBondContact CB-O 3.39Å; S247-S260 PolarHBondContact OG-OG 3.4Å; S247-L310 WeakPolarHBondContact OG-CD2 3.28Å
248	I	92	Very high	89.6	Confident	3 Å²	3	16.5 Å²	16.5	2%	0.015	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.3	176.5	57.2	171.6	0	0	0	109.7	L197 I204 A240 L241 L250 T258 Y259 W268	L197-I248 HydrophobicContact CD1-CB 4Å; L197-I248 HydrophobicContact CD1-CG2 3.63Å; I204-I248 HydrophobicContact CD1-CD1 3.99Å; I204-I248 HydrophobicContact CD1-CG2 4.25Å; I204-I248 HydrophobicContact CG1-CD1 4.16Å; I204-I248 HydrophobicContact CG2-CD1 4.26Å; A240-I248 CarbonylContact O-C 3.31Å; A240-I248 WeakPolarHBondContact O-CA 3.5Å; L241-I248 HydrophobicContact CB-CG2 4.49Å; L241-I248 HydrophobicContact CD1-CG2 3.46Å; L241-I248 VanDerWaalsContact CD1-CG2 3.46Å; I248-L250 HydrophobicContact CD1-CD2 4.37Å; I248-L250 HydrophobicContact CD1-CG 4.43Å; I248-T258 CarbonylContact O-C 3.52Å; I248-T258 WeakPolarHBondContact O-CA 3.18Å; I248-Y259 HydrophobicContact CD1-CD2 3.94Å; I248-Y259 HydrophobicContact CD1-CG 4.21Å; I248-Y259 HydrophobicContact CG1-CD2 3.84Å; I248-Y259 HydrophobicContact CG1-CG 4.14Å; I248-Y259 PolarHBondContact N-O 2.8Å; I248-Y259 PolarHBondContact O-N 2.86Å; I248-W268 HydrophobicContact CB-CZ3 4.44Å; I248-W268 HydrophobicContact CD1-CD2 4.42Å; I248-W268 HydrophobicContact CD1-CE3 4.15Å; I248-W268 HydrophobicContact CD1-CZ3 4.36Å; I248-W268 HydrophobicContact CG1-CE3 4Å; I248-W268 HydrophobicContact CG1-CZ3 3.89Å; I248-W268 HydrophobicContact CG2-CH2 3.9Å; I248-W268 HydrophobicContact CG2-CZ3 4Å
249	A	93.7	Very high	89.5	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.2	169.7	0	0	0	0	0	108.8	A239 A240 F256 R257 T258 M285 W287 I294	A239-A249 CarbonylContact C-O 3.56Å; A239-A249 WeakPolarHBondContact CA-O 3.38Å; A239-A249 WeakPolarHBondContact CB-O 3.36Å; A240-A249 PolarHBondContact N-O 3.34Å; A240-A249 PolarHBondContact O-N 3.11Å; A249-F256 HydrophobicContact CB-CD2 4.25Å; A249-R257 CarbonylContact C-O 3.54Å; A249-R257 WeakPolarHBondContact CA-O 3.44Å; A249-T258 HydrophobicContact CB-CG2 4.44Å; A249-M285 HydrophobicContact CB-CE 3.61Å; A249-W287 HydrophobicContact CB-CZ3 4.18Å; A249-I294 HydrophobicContact CB-CD1 3.5Å
250	L	94.6	Very high	89.1	Confident	5 Å²	5	16.4 Å²	16.4	3%	0.026	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.6	-178.7	-58.6	-172.6	0	0	0	109.7	V195 L197 V212 V236 A239 I248 F256 R257 Y259	V195-L250 HydrophobicContact CG1-CD2 4.08Å; L197-L250 HydrophobicContact CD1-CD2 4.45Å; V212-L250 HydrophobicContact CB-CD1 4.33Å; V212-L250 HydrophobicContact CG1-CD1 3.77Å; V212-L250 HydrophobicContact CG2-CD1 3.58Å; V236-L250 HydrophobicContact CG1-CB 3.94Å; A239-L250 HydrophobicContact CB-CD2 3.52Å; I248-L250 HydrophobicContact CD1-CD2 4.37Å; I248-L250 HydrophobicContact CD1-CG 4.43Å; L250-F256 CarbonylContact O-C 3.57Å; L250-F256 WeakPolarHBondContact O-CA 3.45Å; L250-F256 WeakPolarHBondContact O-CB 3.42Å; L250-R257 PolarHBondContact N-O 3.27Å; L250-R257 PolarHBondContact O-N 2.7Å; L250-Y259 HydrophobicContact CB-CE2 4.13Å; L250-Y259 HydrophobicContact CD1-CD2 4.18Å; L250-Y259 HydrophobicContact CD1-CE2 3.48Å; L250-Y259 VanDerWaalsContact CD1-CE2 3.48Å; L250-Y259 HydrophobicContact CG-CD2 4.15Å; L250-Y259 HydrophobicContact CG-CE2 3.68Å
251	G	94.2	Very high	88.6	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.9	-177.8	0	0	0	0	0	112.8	V236 N237 S238 M285	V236-G251 WeakPolarHBondContact CA-O 3.25Å; N237-G251 PolarHBondContact N-O 3.23Å; S238-G251 PolarHBondContact O-N 3.46Å; G251-M285 WeakPolarHBondContact CA-SD 3.5Å; G251-M285 PolarHBondContact N-SD 2.82Å
252	S	93.4	Very high	88.2	Confident	7 Å²	7	17.2 Å²	17.2	5%	0.049	9%	0.091	C	C	.	.			trans	-127.1	-148	176.1	-171.4	0	0	0	0	109.6	R234 E235 K255 I282	R234-S252 PolarHBondContact O-OG 3.18Å; E235-S252 WeakPolarHBondContact O-CA 3.42Å; E235-S252 WeakPolarHBondContact O-CB 3.43Å; E235-S252 PolarHBondContact O-OG 2.87Å; S252-K255 CarbonylContact C-O 3.52Å; S252-K255 PolarHBondContact N-O 3.08Å; S252-I282 WeakPolarHBondContact O-CG1 3.32Å; S252-I282 PolarHBondContact O-N 3.13Å
253	Y	94	Very high	87.7	Confident	81 Å²	81	21.6 Å²	21.6	32%	0.318	11%	0.114	S	C	.	.	B	Isolated β-bridge	trans	-87.8	121.1	179.3	-173.5	-76.1	0	0	0	111.5	R234 K255 Y280	R234-Y253 HydrophobicContact CB-CG 4.48Å; R234-Y253 VanDerWaalsContact CG-CB 3.48Å; R234-Y253 HydrophobicContact CG-CD2 4.29Å; R234-Y253 HydrophobicContact CG-CG 3.92Å; Y253-K255 WeakPolarHBondContact O-CG 3.42Å; Y253-K255 PolarHBondContact O-N 3.36Å; Y253-Y280 CarbonylContact C-O 3.54Å; Y253-Y280 VanDerWaalsContact CA-O 3.29Å; Y253-Y280 WeakPolarHBondContact CA-O 3.18Å; Y253-Y280 AromaticContact CE2-CD1 3.83Å; Y253-Y280 HydrophobicContact CE2-CD1 3.83Å; Y253-Y280 HydrophobicContact CE2-CG 4.29Å; Y253-Y280 AromaticContact CZ-CD1 3.72Å; Y253-Y280 WeakPolarHBondContact OH-CD1 3.24Å; Y253-Y280 WeakPolarHBondContact OH-CE1 3.35Å
254	D	94.1	Very high	87.5	Confident	42 Å²	42	29.4 Å²	29.4	23%	0.225	14%	0.144	C	C	.	.	S	Bend	trans	50.6	20.6	-177.5	-74.5	-31.1	0	0	0	114.7	V276 N278 M279 Y280	D254-V276 CarbonylContact C-O 3.49Å; D254-V276 VanDerWaalsContact C-O 3.32Å; D254-V276 WeakPolarHBondContact CA-O 3.16Å; D254-V276 WeakPolarHBondContact CB-O 3.45Å; D254-V276 CarbonylContact O-C 3.5Å; D254-V276 PolarHBondContact O-N 2.77Å; D254-V276 VanDerWaalsContact O-O 3.1Å; D254-N278 PolarHBondContact OD1-N 2.86Å; D254-N278 VanDerWaalsContact OD1-N 3.14Å; D254-M279 PolarHBondContact OD1-N 2.55Å; D254-Y280 PolarHBondContact N-O 3.05Å; D254-Y280 PolarHBondContact OD1-N 2.81Å
255	K	93.9	Very high	88.2	Confident	10 Å²	10	36.7 Å²	36.7	4%	0.043	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	156.2	180	69.9	-154.5	-172.6	173.5	0	113.5	T232 D233 S252 Y253 L273 I274 L275 I282	T232-K255 PolarHBondContact O-NZ 3.2Å; T232-K255 VanDerWaalsContact O-NZ 3.15Å; T232-K255 PolarHBondContact OG1-NZ 3.13Å; D233-K255 VanDerWaalsContact CG-NZ 3.29Å; D233-K255 WeakPolarHBondContact OD1-CE 3.38Å; D233-K255 IonicContact OD1-NZ 2.76Å; D233-K255 PolarHBondContact OD1-NZ 3.05Å; D233-K255 IonicContact OD2-NZ 2.68Å; S252-K255 CarbonylContact C-O 3.52Å; S252-K255 PolarHBondContact N-O 3.08Å; Y253-K255 WeakPolarHBondContact O-CG 3.42Å; Y253-K255 PolarHBondContact O-N 3.36Å; K255-L273 HydrophobicContact CB-CD1 4.1Å; K255-L273 HydrophobicContact CD-CD1 4.09Å; K255-L273 HydrophobicContact CG-CD1 4.07Å; K255-I274 CarbonylContact C-O 3.5Å; K255-I274 WeakPolarHBondContact CA-O 3.42Å; K255-I274 VanDerWaalsContact CB-O 3.31Å; K255-I274 WeakPolarHBondContact CB-O 3.37Å; K255-L275 HydrophobicContact CB-CD2 3.75Å; K255-L275 HydrophobicContact CD-CD2 4.09Å; K255-I282 WeakPolarHBondContact O-CD1 3.42Å
256	F	94.7	Very high	88.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144	163.9	65.7	-84.8	0	0	0	111.4	V3 A249 L250 T258 I274 V276 I282 M285 I296 F306	V3-F256 HydrophobicContact CG1-CE2 4.17Å; V3-F256 HydrophobicContact CG1-CZ 3.91Å; A249-F256 HydrophobicContact CB-CD2 4.25Å; L250-F256 CarbonylContact O-C 3.57Å; L250-F256 WeakPolarHBondContact O-CA 3.45Å; L250-F256 WeakPolarHBondContact O-CB 3.42Å; F256-T258 HydrophobicContact CD2-CG2 4.31Å; F256-T258 HydrophobicContact CE2-CG2 4.19Å; F256-I274 HydrophobicContact CD1-CB 4.01Å; F256-I274 HydrophobicContact CD1-CG2 4.3Å; F256-I274 HydrophobicContact CD2-CB 4.42Å; F256-I274 HydrophobicContact CD2-CD1 4.05Å; F256-I274 HydrophobicContact CE1-CB 3.63Å; F256-I274 HydrophobicContact CE1-CG1 4.21Å; F256-I274 HydrophobicContact CE1-CG2 3.59Å; F256-I274 HydrophobicContact CE2-CB 4.08Å; F256-I274 HydrophobicContact CE2-CD1 3.63Å; F256-I274 HydrophobicContact CE2-CG1 3.88Å; F256-I274 HydrophobicContact CG-CB 4.4Å; F256-I274 HydrophobicContact CZ-CB 3.67Å; F256-I274 HydrophobicContact CZ-CD1 4.02Å; F256-I274 HydrophobicContact CZ-CG1 3.71Å; F256-I274 HydrophobicContact CZ-CG2 3.85Å; F256-I274 PolarHBondContact N-O 2.88Å; F256-I274 PolarHBondContact O-N 2.94Å; F256-V276 HydrophobicContact CD1-CG2 4Å; F256-V276 HydrophobicContact CE1-CG2 3.84Å; F256-I282 HydrophobicContact CB-CD1 3.98Å; F256-I282 HydrophobicContact CD1-CD1 4.25Å; F256-M285 HydrophobicContact CB-CE 4.08Å; F256-M285 HydrophobicContact CD2-CE 4.3Å; F256-M285 HydrophobicContact CG-CE 4.24Å; F256-I296 HydrophobicContact CD1-CD1 4Å; F256-I296 HydrophobicContact CE1-CD1 3.91Å; F256-F306 HydrophobicContact CE1-CD1 4.47Å; F256-F306 HydrophobicContact CE1-CD2 4.31Å; F256-F306 HydrophobicContact CE1-CE1 4.22Å; F256-F306 HydrophobicContact CE1-CE2 4.08Å; F256-F306 HydrophobicContact CE1-CZ 4.04Å; F256-F306 HydrophobicContact CZ-CD1 4.21Å; F256-F306 HydrophobicContact CZ-CD2 4.32Å; F256-F306 HydrophobicContact CZ-CE1 4.4Å; F256-F306 HydrophobicContact CZ-CG 4.2Å
257	R	93.3	Very high	88.6	Confident	17 Å²	17	38.3 Å²	38.3	6%	0.064	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.6	173.6	-76.3	179.8	165.9	108.4	0.1	109.4	E230 D233 A249 L250 Y259 E270 L273	E230-R257 IonicContact OE1-NH2 3.05Å; E230-R257 PolarHBondContact OE1-NH2 3.13Å; E230-R257 IonicContact OE2-NH2 3.49Å; E230-R257 PolarHBondContact OE2-NH2 3.26Å; D233-R257 IonicContact OD1-CZ 2.67Å; D233-R257 IonicContact OD1-NH1 2.87Å; D233-R257 PolarHBondContact OD1-NH1 3.17Å; D233-R257 IonicContact OD2-CZ 3.89Å; D233-R257 IonicContact OD2-NH1 2.89Å; D233-R257 PolarHBondContact OD2-NH1 2.88Å; D233-R257 IonicContact OD2-NH2 2.92Å; D233-R257 PolarHBondContact OD2-NH2 3.27Å; A249-R257 CarbonylContact C-O 3.54Å; A249-R257 WeakPolarHBondContact CA-O 3.44Å; L250-R257 PolarHBondContact N-O 3.27Å; L250-R257 PolarHBondContact O-N 2.7Å; R257-Y259 HydrophobicContact CB-CE2 3.69Å; R257-Y259 VanDerWaalsContact CD-OH 3.28Å; R257-Y259 WeakPolarHBondContact CD-OH 3.41Å; R257-E270 WeakPolarHBondContact CD-OE1 3.19Å; R257-E270 IonicContact CZ-OE1 3.1Å; R257-E270 IonicContact NE-OE1 2.91Å; R257-E270 PolarHBondContact NE-OE1 3.22Å; R257-L273 HydrophobicContact CG-CD1 3.53Å
258	T	92.3	Very high	88.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	151.4	168	60.7	0	0	0	0	111.1	M1 V3 I248 A249 F256 G271 D272 I274	M1-T258 HydrophobicContact CE-CG2 4.19Å; M1-T258 HydrophobicContact SD-CG2 4.14Å; V3-T258 HydrophobicContact CG2-CG2 3.76Å; I248-T258 CarbonylContact O-C 3.52Å; I248-T258 WeakPolarHBondContact O-CA 3.18Å; A249-T258 HydrophobicContact CB-CG2 4.44Å; F256-T258 HydrophobicContact CD2-CG2 4.31Å; F256-T258 HydrophobicContact CE2-CG2 4.19Å; T258-G271 PolarHBondContact O-N 3.22Å; T258-D272 PolarHBondContact N-O 3.44Å; T258-D272 PolarHBondContact OG1-N 3.02Å; T258-D272 PolarHBondContact OG1-O 3.29Å; T258-D272 VanDerWaalsContact OG1-O 3.06Å; T258-I274 HydrophobicContact CG2-CD1 4.04Å
259	Y	90.9	Very high	88.6	Confident	3 Å²	3	40.8 Å²	40.8	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.7	170.5	-49.4	-103.9	0	0	0	109.1	L225 Y227 S247 I248 L250 R257 V269 E270	L225-Y259 HydrophobicContact CD1-CD1 3.97Å; L225-Y259 HydrophobicContact CD1-CE1 3.51Å; Y227-Y259 WeakPolarHBondContact CE2-OH 3.39Å; Y227-Y259 PolarHBondContact OH-OH 2.75Å; S247-Y259 CarbonylContact C-O 3.56Å; S247-Y259 WeakPolarHBondContact CA-O 3.27Å; S247-Y259 WeakPolarHBondContact CB-O 3.39Å; I248-Y259 HydrophobicContact CD1-CD2 3.94Å; I248-Y259 HydrophobicContact CD1-CG 4.21Å; I248-Y259 HydrophobicContact CG1-CD2 3.84Å; I248-Y259 HydrophobicContact CG1-CG 4.14Å; I248-Y259 PolarHBondContact N-O 2.8Å; I248-Y259 PolarHBondContact O-N 2.86Å; L250-Y259 HydrophobicContact CB-CE2 4.13Å; L250-Y259 HydrophobicContact CD1-CD2 4.18Å; L250-Y259 HydrophobicContact CD1-CE2 3.48Å; L250-Y259 VanDerWaalsContact CD1-CE2 3.48Å; L250-Y259 HydrophobicContact CG-CD2 4.15Å; L250-Y259 HydrophobicContact CG-CE2 3.68Å; R257-Y259 HydrophobicContact CB-CE2 3.69Å; R257-Y259 VanDerWaalsContact CD-OH 3.28Å; R257-Y259 WeakPolarHBondContact CD-OH 3.41Å; Y259-V269 CarbonylContact C-O 3.56Å; Y259-V269 VanDerWaalsContact CA-O 3.24Å; Y259-V269 WeakPolarHBondContact CA-O 3.37Å; Y259-E270 VanDerWaalsContact CD1-CA 3.48Å; Y259-E270 HydrophobicContact CD1-CB 3.82Å; Y259-E270 HydrophobicContact CD1-CG 4.14Å; Y259-E270 HydrophobicContact CE1-CB 3.76Å; Y259-E270 HydrophobicContact CE1-CG 3.74Å
260	S	86.3	Confident	88.4	Confident	28 Å²	28	44.6 Å²	44.6	20%	0.196	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.5	174	-62.4	0	0	0	0	109.5	Q246 S247 V269	Q246-S260 WeakPolarHBondContact O-CA 3.47Å; S247-S260 PolarHBondContact OG-OG 3.4Å; S260-V269 PolarHBondContact N-O 2.92Å; S260-V269 PolarHBondContact O-N 3.09Å
261	W	83.3	Confident	87.9	Confident	42 Å²	42	46 Å²	46	16%	0.159	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	141.7	172.9	-179	-105.7	0	0	0	110.4	Q200 T202 Q246 N263 S266 G267 W268	Q200-W261 HydrophobicContact CB-CD2 3.73Å; Q200-W261 HydrophobicContact CB-CE3 3.95Å; Q200-W261 HydrophobicContact CB-CG 4.13Å; Q200-W261 HydrophobicContact CB-CH2 4.32Å; Q200-W261 HydrophobicContact CB-CZ2 4.13Å; Q200-W261 HydrophobicContact CB-CZ3 4.24Å; Q200-W261 HydrophobicContact CG-CB 3.91Å; Q200-W261 HydrophobicContact CG-CD2 3.75Å; Q200-W261 HydrophobicContact CG-CE3 4.2Å; Q200-W261 HydrophobicContact CG-CG 3.61Å; T202-W261 HydrophobicContact CG2-CH2 4.01Å; T202-W261 HydrophobicContact CG2-CZ3 3.94Å; Q246-W261 PolarHBondContact O-N 3.28Å; W261-N263 PolarHBondContact NE1-OD1 2.8Å; W261-S266 WeakPolarHBondContact CH2-O 3.24Å; W261-G267 VanDerWaalsContact CZ3-CA 3.49Å; W261-W268 HydrophobicContact CB-CE3 4.31Å; W261-W268 HydrophobicContact CB-CH2 4.25Å; W261-W268 HydrophobicContact CB-CZ3 4.14Å; W261-W268 AromaticContact CE3-CD1 3.73Å; W261-W268 AromaticContact CE3-CD2 3.96Å; W261-W268 HydrophobicContact CE3-CD2 3.96Å; W261-W268 AromaticContact CE3-CE2 3.66Å; W261-W268 AromaticContact CE3-CG 4Å; W261-W268 HydrophobicContact CE3-CG 4Å; W261-W268 HydrophobicContact CE3-CZ2 4.2Å; W261-W268 AromaticContact CE3-NE1 3.53Å; W261-W268 AromaticContact CZ3-CD1 3.74Å; W261-W268 HydrophobicContact CZ3-CG 4.4Å; W261-W268 AromaticContact CZ3-NE1 3.63Å
262	S	80.7	Confident	87.5	Confident	35 Å²	35	49.2 Å²	49.2	25%	0.245	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	102.7	178.7	-170.8	0	0	0	0	110.7	K264 K265 S266 G267	S262-K264 PolarHBondContact O-N 2.82Å; S262-K265 CarbonylContact O-C 3.55Å; S262-K265 PolarHBondContact O-N 2.88Å; S262-S266 WeakPolarHBondContact O-CA 3.41Å; S262-S266 PolarHBondContact O-N 3Å; S262-G267 PolarHBondContact N-O 2.8Å; S262-G267 PolarHBondContact O-N 2.91Å
263	N	76.2	Confident	87.3	Confident	96 Å²	96	52.7 Å²	52.7	51%	0.513	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-30.3	174.1	-69.1	-13.2	0	0	0	112.9	W261 S266	W261-N263 PolarHBondContact NE1-OD1 2.8Å; N263-S266 PolarHBondContact O-N 2.73Å
264	K	76.1	Confident	87.3	Confident	205 Å²	205	50 Å²	50	89%	0.891	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-29.3	177.9	-67.1	-168.5	177.7	-170.3	0	114.3	S262	S262-K264 PolarHBondContact O-N 2.82Å
265	K	81.3	Confident	87.3	Confident	157 Å²	157	54.2 Å²	54.2	68%	0.683	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-2.5	175.1	-65	-171.7	177.5	-176.1	0	112.1	S262 G267 V269	S262-K265 CarbonylContact O-C 3.55Å; S262-K265 PolarHBondContact O-N 2.88Å; K265-G267 PolarHBondContact O-N 2.6Å; K265-V269 HydrophobicContact CD-CG2 3.92Å
266	S	82.6	Confident	87.2	Confident	67 Å²	67	54 Å²	54	47%	0.469	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.7	38.9	-167.1	-57.6	0	0	0	0	113.5	F222 W261 S262 N263	F222-S266 WeakPolarHBondContact CE1-O 3.15Å; F222-S266 WeakPolarHBondContact CZ-O 3.4Å; W261-S266 WeakPolarHBondContact CH2-O 3.24Å; S262-S266 WeakPolarHBondContact O-CA 3.41Å; S262-S266 PolarHBondContact O-N 3Å; N263-S266 PolarHBondContact O-N 2.73Å
267	G	86.1	Confident	87	Confident	6 Å²	6	62.2 Å²	62.2	6%	0.062	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	171.9	-170.4	0	0	0	0	0	114.6	W261 S262 K265	W261-G267 VanDerWaalsContact CZ3-CA 3.49Å; S262-G267 PolarHBondContact N-O 2.8Å; S262-G267 PolarHBondContact O-N 2.91Å; K265-G267 PolarHBondContact O-N 2.6Å
268	W	90	Very high	86.9	Confident	6 Å²	6	65.3 Å²	65.3	2%	0.023	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	128.4	178.9	-68.6	95.4	0	0	0	110.8	Q200 T202 I204 Q223 G245 I248 W261	Q200-W268 HydrophobicContact CB-CZ2 4.5Å; Q200-W268 HydrophobicContact CG-CH2 4.39Å; Q200-W268 HydrophobicContact CG-CZ2 4.08Å; T202-W268 PolarHBondContact OG1-NE1 3.33Å; I204-W268 HydrophobicContact CD1-CH2 4.49Å; I204-W268 HydrophobicContact CD1-CZ2 3.78Å; Q223-W268 PolarHBondContact NE2-O 2.88Å; Q223-W268 PolarHBondContact OE1-O 3.39Å; G245-W268 WeakPolarHBondContact O-CH2 3.25Å; I248-W268 HydrophobicContact CB-CZ3 4.44Å; I248-W268 HydrophobicContact CD1-CD2 4.42Å; I248-W268 HydrophobicContact CD1-CE3 4.15Å; I248-W268 HydrophobicContact CD1-CZ3 4.36Å; I248-W268 HydrophobicContact CG1-CE3 4Å; I248-W268 HydrophobicContact CG1-CZ3 3.89Å; I248-W268 HydrophobicContact CG2-CH2 3.9Å; I248-W268 HydrophobicContact CG2-CZ3 4Å; W261-W268 HydrophobicContact CB-CE3 4.31Å; W261-W268 HydrophobicContact CB-CH2 4.25Å; W261-W268 HydrophobicContact CB-CZ3 4.14Å; W261-W268 AromaticContact CE3-CD1 3.73Å; W261-W268 AromaticContact CE3-CD2 3.96Å; W261-W268 HydrophobicContact CE3-CD2 3.96Å; W261-W268 AromaticContact CE3-CE2 3.66Å; W261-W268 AromaticContact CE3-CG 4Å; W261-W268 HydrophobicContact CE3-CG 4Å; W261-W268 HydrophobicContact CE3-CZ2 4.2Å; W261-W268 AromaticContact CE3-NE1 3.53Å; W261-W268 AromaticContact CZ3-CD1 3.74Å; W261-W268 HydrophobicContact CZ3-CG 4.4Å; W261-W268 AromaticContact CZ3-NE1 3.63Å
269	V	88.6	Confident	86.8	Confident	50 Å²	50	65.3 Å²	65.3	30%	0.303	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.5	178.6	-176.6	0	0	0	0	108.5	Y259 S260 K265	Y259-V269 CarbonylContact C-O 3.56Å; Y259-V269 VanDerWaalsContact CA-O 3.24Å; Y259-V269 WeakPolarHBondContact CA-O 3.37Å; S260-V269 PolarHBondContact N-O 2.92Å; S260-V269 PolarHBondContact O-N 3.09Å; K265-V269 HydrophobicContact CD-CG2 3.92Å
270	E	89.7	Confident	86.9	Confident	79 Å²	79	69 Å²	69	37%	0.369	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	134.8	173.6	-168	169.1	166.6	0	0	110.3	Y227 R257 Y259	Y227-E270 PolarHBondContact OH-OE2 3.28Å; R257-E270 WeakPolarHBondContact CD-OE1 3.19Å; R257-E270 IonicContact CZ-OE1 3.1Å; R257-E270 IonicContact NE-OE1 2.91Å; R257-E270 PolarHBondContact NE-OE1 3.22Å; Y259-E270 VanDerWaalsContact CD1-CA 3.48Å; Y259-E270 HydrophobicContact CD1-CB 3.82Å; Y259-E270 HydrophobicContact CD1-CG 4.14Å; Y259-E270 HydrophobicContact CE1-CB 3.76Å; Y259-E270 HydrophobicContact CE1-CG 3.74Å
271	G	84.6	Confident	87.3	Confident	36 Å²	36	68.8 Å²	68.8	37%	0.371	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-132.8	179.6	0	0	0	0	0	111.2	T258	T258-G271 PolarHBondContact O-N 3.22Å
272	D	84.5	Confident	87.9	Confident	67 Å²	67	66.8 Å²	66.8	36%	0.358	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	139.7	179.7	-62.6	-19.6	0	0	0	111	M1 T258 I274	M1-D272 VanDerWaalsContact O-OD2 3.1Å; T258-D272 PolarHBondContact N-O 3.44Å; T258-D272 PolarHBondContact OG1-N 3.02Å; T258-D272 PolarHBondContact OG1-O 3.29Å; T258-D272 VanDerWaalsContact OG1-O 3.06Å; D272-I274 HydrophobicContact CB-CD1 3.74Å; D272-I274 WeakPolarHBondContact O-CD1 3.21Å
273	L	91.1	Very high	88.5	Confident	80 Å²	80	66.6 Å²	66.6	42%	0.419	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	115.7	163.5	172.7	68	0	0	0	108.5	K255 R257 L275	K255-L273 HydrophobicContact CB-CD1 4.1Å; K255-L273 HydrophobicContact CD-CD1 4.09Å; K255-L273 HydrophobicContact CG-CD1 4.07Å; R257-L273 HydrophobicContact CG-CD1 3.53Å; L273-L275 HydrophobicContact CD2-CD2 4.42Å; L273-L275 HydrophobicContact CG-CD2 4.4Å
274	I	93.6	Very high	89.4	Confident	25 Å²	25	62.4 Å²	62.4	13%	0.128	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.9	-178.8	-59	73.9	0	0	0	108.2	V3 K255 F256 T258 D272 V276 F306	V3-I274 HydrophobicContact CB-CD1 4.04Å; V3-I274 HydrophobicContact CB-CG1 4.01Å; V3-I274 HydrophobicContact CG1-CG1 4.23Å; V3-I274 HydrophobicContact CG2-CD1 4Å; K255-I274 CarbonylContact C-O 3.5Å; K255-I274 WeakPolarHBondContact CA-O 3.42Å; K255-I274 VanDerWaalsContact CB-O 3.31Å; K255-I274 WeakPolarHBondContact CB-O 3.37Å; F256-I274 HydrophobicContact CD1-CB 4.01Å; F256-I274 HydrophobicContact CD1-CG2 4.3Å; F256-I274 HydrophobicContact CD2-CB 4.42Å; F256-I274 HydrophobicContact CD2-CD1 4.05Å; F256-I274 HydrophobicContact CE1-CB 3.63Å; F256-I274 HydrophobicContact CE1-CG1 4.21Å; F256-I274 HydrophobicContact CE1-CG2 3.59Å; F256-I274 HydrophobicContact CE2-CB 4.08Å; F256-I274 HydrophobicContact CE2-CD1 3.63Å; F256-I274 HydrophobicContact CE2-CG1 3.88Å; F256-I274 HydrophobicContact CG-CB 4.4Å; F256-I274 HydrophobicContact CZ-CB 3.67Å; F256-I274 HydrophobicContact CZ-CD1 4.02Å; F256-I274 HydrophobicContact CZ-CG1 3.71Å; F256-I274 HydrophobicContact CZ-CG2 3.85Å; F256-I274 PolarHBondContact N-O 2.88Å; F256-I274 PolarHBondContact O-N 2.94Å; T258-I274 HydrophobicContact CG2-CD1 4.04Å; D272-I274 HydrophobicContact CB-CD1 3.74Å; D272-I274 WeakPolarHBondContact O-CD1 3.21Å; I274-V276 HydrophobicContact CG2-CG2 3.88Å; I274-F306 HydrophobicContact CG2-CD1 4.48Å; I274-F306 HydrophobicContact CG2-CE1 3.87Å; I274-F306 HydrophobicContact CG2-CZ 4.48Å
275	L	93.9	Very high	90.3	Very high	129 Å²	129	53.4 Å²	53.4	68%	0.675	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	128	172	-57.7	-178.4	0	0	0	109.9	K255 L273	K255-L275 HydrophobicContact CB-CD2 3.75Å; K255-L275 HydrophobicContact CD-CD2 4.09Å; L273-L275 HydrophobicContact CD2-CD2 4.42Å; L273-L275 HydrophobicContact CG-CD2 4.4Å
276	V	92.2	Very high	91	Very high	6 Å²	6	46.9 Å²	46.9	4%	0.036	25%	0.254	C	S	.	.			trans	-130.8	107.2	-178.4	-167.4	0	0	0	0	108.7	D254 F256 I274 M279 I296 E304 F306	D254-V276 CarbonylContact C-O 3.49Å; D254-V276 VanDerWaalsContact C-O 3.32Å; D254-V276 WeakPolarHBondContact CA-O 3.16Å; D254-V276 WeakPolarHBondContact CB-O 3.45Å; D254-V276 CarbonylContact O-C 3.5Å; D254-V276 PolarHBondContact O-N 2.77Å; D254-V276 VanDerWaalsContact O-O 3.1Å; F256-V276 HydrophobicContact CD1-CG2 4Å; F256-V276 HydrophobicContact CE1-CG2 3.84Å; I274-V276 HydrophobicContact CG2-CG2 3.88Å; V276-M279 HydrophobicContact CB-CG 3.88Å; V276-M279 HydrophobicContact CG1-CG 3.43Å; V276-M279 VanDerWaalsContact CG1-CG 3.43Å; V276-M279 HydrophobicContact CG1-SD 4.31Å; V276-I296 HydrophobicContact CB-CD1 4.45Å; V276-I296 HydrophobicContact CG1-CD1 4.26Å; V276-I296 HydrophobicContact CG2-CD1 3.99Å; V276-E304 VanDerWaalsContact CG1-OE1 3.3Å; V276-E304 WeakPolarHBondContact CG1-OE1 3.18Å; V276-E304 WeakPolarHBondContact CG1-OE2 3.46Å; V276-F306 HydrophobicContact CG1-CZ 4.24Å; V276-F306 HydrophobicContact CG2-CE1 4.34Å; V276-F306 HydrophobicContact CG2-CE2 4.44Å; V276-F306 HydrophobicContact CG2-CZ 3.67Å
277	K	90	Very high	91.5	Very high	173 Å²	173	44.4 Å²	44.4	75%	0.752	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	148.1	-171.5	-62.7	-180	-179.7	178.6	0	111.5	M279	K277-M279 PolarHBondContact O-N 3.21Å
278	N	90	Very high	91.8	Very high	82 Å²	82	44.2 Å²	44.2	44%	0.439	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	13	173.8	-46.5	-39.4	0	0	0	114.9	Y12 D254 Y280	Y12-N278 HydrophobicContact CD2-CB 3.72Å; Y12-N278 VanDerWaalsContact CD2-O 3.29Å; Y12-N278 WeakPolarHBondContact CD2-O 3.48Å; Y12-N278 HydrophobicContact CE2-CB 3.85Å; Y12-N278 WeakPolarHBondContact CE2-O 3.4Å; Y12-N278 HydrophobicContact CG-CB 4.11Å; D254-N278 PolarHBondContact OD1-N 2.86Å; D254-N278 VanDerWaalsContact OD1-N 3.14Å; N278-Y280 VanDerWaalsContact C-N 3.33Å
279	M	92	Very high	91.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.			trans	-76.7	-27.8	171.8	-71.2	-66.4	-75.8	0	0	111.2	D254 V276 K277 T281 I282 I296 G298 L299 A302	D254-M279 PolarHBondContact OD1-N 2.55Å; V276-M279 HydrophobicContact CB-CG 3.88Å; V276-M279 HydrophobicContact CG1-CG 3.43Å; V276-M279 VanDerWaalsContact CG1-CG 3.43Å; V276-M279 HydrophobicContact CG1-SD 4.31Å; K277-M279 PolarHBondContact O-N 3.21Å; M279-T281 PolarHBondContact O-N 3.36Å; M279-I282 HydrophobicContact CB-CG1 4.31Å; M279-I282 HydrophobicContact CE-CG1 4.21Å; M279-I296 HydrophobicContact CE-CB 4.23Å; M279-I296 HydrophobicContact CE-CD1 3.79Å; M279-I296 HydrophobicContact CE-CG1 3.68Å; M279-G298 VanDerWaalsContact CE-N 3.28Å; M279-G298 WeakPolarHBondContact O-CA 3.32Å; M279-L299 PolarHBondContact O-N 3.16Å; M279-A302 HydrophobicContact SD-CB 3.75Å
280	Y	92.8	Very high	91.3	Very high	80 Å²	80	43.7 Å²	43.7	31%	0.314	23%	0.231	S	C	.	.			trans	49.7	-131.8	-163.4	-61.6	-104.6	0	0	0	107.5	Y12 Y253 D254 N278 I282 C300	Y12-Y280 AromaticContact CE2-CE2 3.95Å; Y12-Y280 HydrophobicContact CE2-CE2 3.95Å; Y253-Y280 CarbonylContact C-O 3.54Å; Y253-Y280 VanDerWaalsContact CA-O 3.29Å; Y253-Y280 WeakPolarHBondContact CA-O 3.18Å; Y253-Y280 AromaticContact CE2-CD1 3.83Å; Y253-Y280 HydrophobicContact CE2-CD1 3.83Å; Y253-Y280 HydrophobicContact CE2-CG 4.29Å; Y253-Y280 AromaticContact CZ-CD1 3.72Å; Y253-Y280 WeakPolarHBondContact OH-CD1 3.24Å; Y253-Y280 WeakPolarHBondContact OH-CE1 3.35Å; D254-Y280 PolarHBondContact N-O 3.05Å; D254-Y280 PolarHBondContact OD1-N 2.81Å; N278-Y280 VanDerWaalsContact C-N 3.33Å; Y280-I282 PolarHBondContact O-N 3.17Å; Y280-C300 HydrophobicContact CD2-CB 4.35Å; Y280-C300 VanDerWaalsContact CD2-SG 3.54Å
281	T	93.4	Very high	91.1	Very high	24 Å²	24	40.7 Å²	40.7	15%	0.147	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-64.1	123.5	171.7	-47.6	0	0	0	0	111.2	N237 M279 T283 L299	N237-T281 HydrophobicContact CB-CG2 3.58Å; N237-T281 WeakPolarHBondContact ND2-CG2 3.17Å; M279-T281 PolarHBondContact O-N 3.36Å; T281-T283 PolarHBondContact O-N 3.01Å; T281-T283 VanDerWaalsContact O-N 3.16Å; T281-L299 PolarHBondContact O-N 3.36Å; T281-L299 VanDerWaalsContact O-N 3.11Å
282	I	95.6	Very high	91.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	112.3	166.1	-56.9	174.7	0	0	0	107.9	N237 S238 S252 K255 F256 M279 Y280 M285 I296 G297	N237-I282 PolarHBondContact ND2-O 2.7Å; N237-I282 VanDerWaalsContact ND2-O 3.1Å; S238-I282 WeakPolarHBondContact OG-CG2 3.47Å; S238-I282 PolarHBondContact OG-O 3.33Å; S252-I282 WeakPolarHBondContact O-CG1 3.32Å; S252-I282 PolarHBondContact O-N 3.13Å; K255-I282 WeakPolarHBondContact O-CD1 3.42Å; F256-I282 HydrophobicContact CB-CD1 3.98Å; F256-I282 HydrophobicContact CD1-CD1 4.25Å; M279-I282 HydrophobicContact CB-CG1 4.31Å; M279-I282 HydrophobicContact CE-CG1 4.21Å; Y280-I282 PolarHBondContact O-N 3.17Å; I282-M285 HydrophobicContact CG2-CG 3.57Å; I282-M285 HydrophobicContact CG2-SD 4.03Å; I282-I296 HydrophobicContact CD1-CD1 4.21Å; I282-I296 HydrophobicContact CG2-CB 4.12Å; I282-G297 CarbonylContact C-O 3.49Å; I282-G297 WeakPolarHBondContact CA-O 3.24Å
283	T	94.8	Very high	91.6	Very high	31 Å²	31	38 Å²	38	19%	0.19	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-27.7	-171.2	46.2	0	0	0	0	113	P18 I19 T281 G297 G298 L299	P18-T283 HydrophobicContact CB-CG2 4.36Å; I19-T283 WeakPolarHBondContact O-CB 3.48Å; I19-T283 PolarHBondContact O-OG1 3.43Å; T281-T283 PolarHBondContact O-N 3.01Å; T281-T283 VanDerWaalsContact O-N 3.16Å; T283-G297 PolarHBondContact N-O 2.99Å; T283-G297 PolarHBondContact OG1-O 3.24Å; T283-G298 PolarHBondContact OG1-O 3.21Å; T283-L299 HydrophobicContact CG2-CB 4.35Å; T283-L299 HydrophobicContact CG2-CD1 3.99Å
284	A	95.1	Very high	91.8	Very high	8 Å²	8	34.1 Å²	34.1	7%	0.066	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	145.4	178	0	0	0	0	0	110.7	I19 I22 I296 G297	I19-A284 HydrophobicContact CG2-CB 4.25Å; I22-A284 HydrophobicContact CB-CB 4.13Å; I22-A284 HydrophobicContact CD1-CB 4.11Å; I22-A284 HydrophobicContact CG1-CB 3.79Å; A284-I296 CarbonylContact O-C 3.52Å; A284-I296 WeakPolarHBondContact O-CA 3.41Å; A284-G297 PolarHBondContact N-O 3.1Å; A284-G297 PolarHBondContact O-N 2.71Å
285	M	95.5	Very high	91.9	Very high	16 Å²	16	33 Å²	33	8%	0.079	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143	174	-62.7	179.3	69.1	0	0	109.1	S238 A240 A249 G251 F256 I282 I294 A295 I296	S238-M285 WeakPolarHBondContact OG-CG 3.43Å; A240-M285 HydrophobicContact CB-CB 4.12Å; A249-M285 HydrophobicContact CB-CE 3.61Å; G251-M285 WeakPolarHBondContact CA-SD 3.5Å; G251-M285 PolarHBondContact N-SD 2.82Å; F256-M285 HydrophobicContact CB-CE 4.08Å; F256-M285 HydrophobicContact CD2-CE 4.3Å; F256-M285 HydrophobicContact CG-CE 4.24Å; I282-M285 HydrophobicContact CG2-CG 3.57Å; I282-M285 HydrophobicContact CG2-SD 4.03Å; M285-I294 HydrophobicContact CE-CD1 3.71Å; M285-A295 CarbonylContact C-O 3.57Å; M285-A295 WeakPolarHBondContact CA-O 3.46Å; M285-I296 HydrophobicContact CE-CG2 3.88Å; M285-I296 HydrophobicContact CG-CB 4.38Å; M285-I296 HydrophobicContact CG-CG2 3.93Å
286	S	95.4	Very high	92.1	Very high	20 Å²	20	26.8 Å²	26.8	14%	0.14	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	131	172	-169.1	0	0	0	0	110.7	W24 I294 A295	W24-S286 PolarHBondContact N-OG 3.48Å; S286-I294 WeakPolarHBondContact O-CG1 3.35Å; S286-A295 PolarHBondContact N-O 3.3Å; S286-A295 PolarHBondContact O-N 2.88Å
287	W	93	Very high	92.3	Very high	15 Å²	15	26.5 Å²	26.5	6%	0.057	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	140.8	171.6	-142.7	-57.3	0	0	0	109.7	M1 W24 A240 L241 S242 A249 S291 I294 C308	M1-W287 HydrophobicContact CE-CH2 3.41Å; M1-W287 VanDerWaalsContact CE-CH2 3.41Å; M1-W287 HydrophobicContact CE-CZ2 3.32Å; M1-W287 HydrophobicContact CE-CZ3 4.37Å; M1-W287 HydrophobicContact SD-CH2 3.32Å; M1-W287 WeakPolarHBondContact SD-CH2 3.46Å; M1-W287 HydrophobicContact SD-CZ2 3.58Å; M1-W287 VanDerWaalsContact SD-CZ2 3.58Å; M1-W287 HydrophobicContact SD-CZ3 4.47Å; W24-W287 VanDerWaalsContact CD1-C 3.44Å; A240-W287 HydrophobicContact CB-CB 4.21Å; A240-W287 HydrophobicContact CB-CE3 4.16Å; L241-W287 WeakPolarHBondContact O-CB 3.1Å; S242-W287 VanDerWaalsContact CB-CZ2 3.5Å; A249-W287 HydrophobicContact CB-CZ3 4.18Å; W287-S291 PolarHBondContact NE1-O 3.1Å; W287-I294 HydrophobicContact CE3-CD1 4.16Å; W287-C308 HydrophobicContact CZ2-CB 4.42Å
288	K	93	Very high	92.6	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.009	10%	0.1	C	C	.	.			trans	-70	140.8	171.8	-169.5	175	-178.9	-64.1	0	110.8	W24 S28 P243 D290 S291 K293	W24-K288 HydrophobicContact CD2-CB 3.75Å; W24-K288 HydrophobicContact CD2-CD 4.29Å; W24-K288 HydrophobicContact CD2-CG 3.7Å; W24-K288 HydrophobicContact CE3-CB 4.24Å; W24-K288 HydrophobicContact CE3-CD 4.03Å; W24-K288 HydrophobicContact CE3-CG 3.65Å; W24-K288 HydrophobicContact CG-CB 3.97Å; W24-K288 HydrophobicContact CG-CG 4.26Å; W24-K288 HydrophobicContact CH2-CD 3.81Å; W24-K288 HydrophobicContact CH2-CG 4.3Å; W24-K288 HydrophobicContact CZ2-CB 4.32Å; W24-K288 HydrophobicContact CZ2-CD 4.06Å; W24-K288 HydrophobicContact CZ2-CG 4.33Å; W24-K288 HydrophobicContact CZ3-CD 3.78Å; W24-K288 HydrophobicContact CZ3-CG 3.96Å; S28-K288 WeakPolarHBondContact O-CE 3.47Å; S28-K288 PolarHBondContact O-NZ 2.99Å; S28-K288 VanDerWaalsContact O-NZ 3.15Å; S28-K288 WeakPolarHBondContact OG-CG 3.34Å; S28-K288 PolarHBondContact OG-NZ 2.83Å; P243-K288 VanDerWaalsContact CG-O 3.31Å; P243-K288 WeakPolarHBondContact CG-O 3.48Å; K288-D290 VanDerWaalsContact C-N 3.26Å; K288-D290 WeakPolarHBondContact CD-OD1 3.47Å; K288-D290 VanDerWaalsContact CG-OD1 3.28Å; K288-D290 WeakPolarHBondContact CG-OD1 3.28Å; K288-D290 IonicContact NZ-OD1 2.73Å; K288-D290 PolarHBondContact NZ-OD1 3.15Å; K288-D290 IonicContact NZ-OD2 3.68Å; K288-D290 PolarHBondContact NZ-OD2 2.91Å; K288-D290 PolarHBondContact O-N 3.18Å; K288-S291 WeakPolarHBondContact O-CA 3.21Å; K288-S291 PolarHBondContact O-N 3.28Å; K288-K293 HydrophobicContact CB-CB 4.14Å; K288-K293 VanDerWaalsContact CB-O 3.24Å; K288-K293 WeakPolarHBondContact CB-O 3.33Å; K288-K293 HydrophobicContact CD-CB 4.02Å; K288-K293 HydrophobicContact CD-CD 4.44Å; K288-K293 HydrophobicContact CD-CG 4.28Å; K288-K293 PolarHBondContact N-O 2.9Å
289	S	87.8	Confident	92.9	Very high	39 Å²	39	16.7 Å²	16.7	27%	0.273	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.6	-170	-49.5	0	0	0	0	115.4	S25 P26 S28 P243 S291	S25-S289 PolarHBondContact O-OG 2.97Å; P26-S289 WeakPolarHBondContact CA-OG 3.45Å; P26-S289 WeakPolarHBondContact O-CB 3.33Å; S28-S289 PolarHBondContact OG-N 3.38Å; P243-S289 WeakPolarHBondContact CB-O 3.38Å; P243-S289 VanDerWaalsContact CG-O 3.28Å; P243-S289 WeakPolarHBondContact CG-O 3.33Å; S289-S291 VanDerWaalsContact C-N 3.27Å
290	D	80.5	Confident	93	Very high	6 Å²	6	17.2 Å²	17.2	3%	0.032	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	12	170.4	70.8	-12.8	0	0	0	113	S28 K288 S292 L323 K325	S28-D290 PolarHBondContact OG-N 3.49Å; K288-D290 VanDerWaalsContact C-N 3.26Å; K288-D290 WeakPolarHBondContact CD-OD1 3.47Å; K288-D290 VanDerWaalsContact CG-OD1 3.28Å; K288-D290 WeakPolarHBondContact CG-OD1 3.28Å; K288-D290 IonicContact NZ-OD1 2.73Å; K288-D290 PolarHBondContact NZ-OD1 3.15Å; K288-D290 IonicContact NZ-OD2 3.68Å; K288-D290 PolarHBondContact NZ-OD2 2.91Å; K288-D290 PolarHBondContact O-N 3.18Å; D290-S292 PolarHBondContact O-N 3.04Å; D290-S292 VanDerWaalsContact O-N 3.08Å; D290-S292 WeakPolarHBondContact OD1-CB 3.42Å; D290-S292 PolarHBondContact OD1-N 3.02Å; D290-S292 PolarHBondContact OD1-OG 3.42Å; D290-S292 PolarHBondContact OD2-OG 3.35Å; D290-L323 HydrophobicContact CB-CD1 4.33Å; D290-L323 HydrophobicContact CB-CD2 4.11Å; D290-K325 IonicContact OD2-NZ 3.93Å
291	S	85.2	Confident	93.1	Very high	16 Å²	16	13.4 Å²	13.4	11%	0.112	8%	0.08	C	C	.	.	S	Bend	trans	62.6	0.5	-174	-57.4	0	0	0	0	115.3	P243 W287 K288 S289 C308 Q321	P243-S291 WeakPolarHBondContact CD-OG 3.1Å; W287-S291 PolarHBondContact NE1-O 3.1Å; K288-S291 WeakPolarHBondContact O-CA 3.21Å; K288-S291 PolarHBondContact O-N 3.28Å; S289-S291 VanDerWaalsContact C-N 3.27Å; S291-C308 WeakPolarHBondContact O-CB 3.24Å; S291-Q321 PolarHBondContact OG-NE2 2.79Å; S291-Q321 PolarHBondContact OG-OE1 3.3Å
292	S	86.2	Confident	93.3	Very high	19 Å²	19	12.4 Å²	12.4	13%	0.133	7%	0.074	C	C	.	.	S	Bend	trans	-85.2	-16.2	-164	101.7	0	0	0	0	115.7	D290 C308	D290-S292 PolarHBondContact O-N 3.04Å; D290-S292 VanDerWaalsContact O-N 3.08Å; D290-S292 WeakPolarHBondContact OD1-CB 3.42Å; D290-S292 PolarHBondContact OD1-N 3.02Å; D290-S292 PolarHBondContact OD1-OG 3.42Å; D290-S292 PolarHBondContact OD2-OG 3.35Å; S292-C308 PolarHBondContact O-N 3.48Å
293	K	92.2	Very high	93.4	Very high	26 Å²	26	12.4 Å²	12.4	11%	0.113	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	157.2	178.6	-64.1	-173.4	-177	-75.1	0	111.4	D6 K288 L305 F306 D307	D6-K293 IonicContact OD2-NZ 3.58Å; D6-K293 PolarHBondContact OD2-NZ 2.92Å; K288-K293 HydrophobicContact CB-CB 4.14Å; K288-K293 VanDerWaalsContact CB-O 3.24Å; K288-K293 WeakPolarHBondContact CB-O 3.33Å; K288-K293 HydrophobicContact CD-CB 4.02Å; K288-K293 HydrophobicContact CD-CD 4.44Å; K288-K293 HydrophobicContact CD-CG 4.28Å; K288-K293 PolarHBondContact N-O 2.9Å; K293-L305 HydrophobicContact CB-CD1 4Å; K293-L305 HydrophobicContact CD-CD1 3.97Å; K293-L305 HydrophobicContact CD-CD2 3.88Å; K293-L305 HydrophobicContact CD-CG 4.01Å; K293-F306 CarbonylContact C-O 3.54Å; K293-F306 WeakPolarHBondContact CA-O 3.07Å; K293-D307 IonicContact NZ-OD1 3.9Å; K293-D307 PolarHBondContact NZ-OD1 3.37Å; K293-D307 IonicContact NZ-OD2 3.2Å
294	I	94.9	Very high	93.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.6	167.8	-168.5	173.4	0	0	0	109.3	A240 A249 M285 S286 W287 I296 F306 C308	A240-I294 HydrophobicContact CB-CD1 3.99Å; A240-I294 HydrophobicContact CB-CG1 4.5Å; A249-I294 HydrophobicContact CB-CD1 3.5Å; M285-I294 HydrophobicContact CE-CD1 3.71Å; S286-I294 WeakPolarHBondContact O-CG1 3.35Å; W287-I294 HydrophobicContact CE3-CD1 4.16Å; I294-I296 HydrophobicContact CG1-CG2 4.47Å; I294-F306 HydrophobicContact CG2-CB 3.82Å; I294-F306 PolarHBondContact N-O 2.93Å; I294-F306 PolarHBondContact O-N 3Å; I294-C308 WeakPolarHBondContact CG2-SG 3.29Å
295	A	96.9	Very high	93.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.6	174.8	0	0	0	0	0	109.5	I22 L31 M285 S286 E304 L305	I22-A295 HydrophobicContact CG2-CB 4.04Å; L31-A295 HydrophobicContact CD1-CB 4.04Å; L31-A295 HydrophobicContact CD2-CB 3.77Å; M285-A295 CarbonylContact C-O 3.57Å; M285-A295 WeakPolarHBondContact CA-O 3.46Å; S286-A295 PolarHBondContact N-O 3.3Å; S286-A295 PolarHBondContact O-N 2.88Å; A295-E304 WeakPolarHBondContact CA-O 3.11Å; A295-L305 HydrophobicContact CB-CD1 4.09Å
296	I	97.2	Very high	93.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.8	-179.4	67.9	172.7	0	0	0	110.5	F256 V276 M279 I282 A284 M285 I294 V303 E304 F306	F256-I296 HydrophobicContact CD1-CD1 4Å; F256-I296 HydrophobicContact CE1-CD1 3.91Å; V276-I296 HydrophobicContact CB-CD1 4.45Å; V276-I296 HydrophobicContact CG1-CD1 4.26Å; V276-I296 HydrophobicContact CG2-CD1 3.99Å; M279-I296 HydrophobicContact CE-CB 4.23Å; M279-I296 HydrophobicContact CE-CD1 3.79Å; M279-I296 HydrophobicContact CE-CG1 3.68Å; I282-I296 HydrophobicContact CD1-CD1 4.21Å; I282-I296 HydrophobicContact CG2-CB 4.12Å; A284-I296 CarbonylContact O-C 3.52Å; A284-I296 WeakPolarHBondContact O-CA 3.41Å; M285-I296 HydrophobicContact CE-CG2 3.88Å; M285-I296 HydrophobicContact CG-CB 4.38Å; M285-I296 HydrophobicContact CG-CG2 3.93Å; I294-I296 HydrophobicContact CG1-CG2 4.47Å; I296-V303 VanDerWaalsContact O-CA 3.3Å; I296-V303 WeakPolarHBondContact O-CA 3.24Å; I296-E304 HydrophobicContact CD1-CB 4.5Å; I296-E304 HydrophobicContact CG1-CB 4.06Å; I296-E304 PolarHBondContact N-O 2.7Å; I296-E304 PolarHBondContact O-N 3.37Å; I296-F306 HydrophobicContact CD1-CD2 4.3Å; I296-F306 HydrophobicContact CD1-CE2 3.47Å; I296-F306 VanDerWaalsContact CD1-CE2 3.47Å; I296-F306 HydrophobicContact CD1-CZ 4.12Å; I296-F306 HydrophobicContact CG1-CD2 4.38Å; I296-F306 HydrophobicContact CG1-CE2 3.82Å
297	G	97.2	Very high	93.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.1	-179	0	0	0	0	0	112.1	I282 T283 A284 A302	I282-G297 CarbonylContact C-O 3.49Å; I282-G297 WeakPolarHBondContact CA-O 3.24Å; T283-G297 PolarHBondContact N-O 2.99Å; T283-G297 PolarHBondContact OG1-O 3.24Å; A284-G297 PolarHBondContact N-O 3.1Å; A284-G297 PolarHBondContact O-N 2.71Å; G297-A302 WeakPolarHBondContact CA-O 3.05Å
298	G	96.5	Very high	92.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	167.1	-175	0	0	0	0	0	114.6	I19 M279 T283 C300 G301 A302	I19-G298 PolarHBondContact N-O 3.2Å; M279-G298 VanDerWaalsContact CE-N 3.28Å; M279-G298 WeakPolarHBondContact O-CA 3.32Å; T283-G298 PolarHBondContact OG1-O 3.21Å; G298-C300 PolarHBondContact O-N 3.4Å; G298-G301 PolarHBondContact O-N 3.3Å; G298-A302 PolarHBondContact N-O 3.41Å
299	L	95.5	Very high	91.8	Very high	49 Å²	49	15.5 Å²	15.5	26%	0.257	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.4	176.3	-168.1	71.9	0	0	0	112.7	L16 A17 P18 M279 T281 T283	L16-L299 HydrophobicContact CD1-CD1 4.03Å; L16-L299 HydrophobicContact CD1-CD2 4.1Å; L16-L299 HydrophobicContact CD1-CG 3.71Å; A17-L299 CarbonylContact C-O 3.55Å; A17-L299 VanDerWaalsContact C-O 3.29Å; A17-L299 PolarHBondContact N-O 2.95Å; A17-L299 VanDerWaalsContact N-O 3.1Å; P18-L299 VanDerWaalsContact CA-O 3.28Å; P18-L299 WeakPolarHBondContact CA-O 3.41Å; P18-L299 HydrophobicContact CB-CD1 4.28Å; P18-L299 WeakPolarHBondContact CD-O 3.49Å; M279-L299 PolarHBondContact O-N 3.16Å; T281-L299 PolarHBondContact O-N 3.36Å; T281-L299 VanDerWaalsContact O-N 3.11Å; T283-L299 HydrophobicContact CG2-CB 4.35Å; T283-L299 HydrophobicContact CG2-CD1 3.99Å
300	C	95.4	Very high	90.5	Very high	10 Å²	10	16.3 Å²	16.3	7%	0.068	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	25.2	-178.3	-65.6	0	0	0	0	113.6	Y12 Q13 R15 Y280 G298 A302	Y12-C300 HydrophobicContact CD2-CB 3.63Å; Y12-C300 HydrophobicContact CE2-CB 3.28Å; Q13-C300 WeakPolarHBondContact CB-O 3.42Å; Q13-C300 PolarHBondContact N-O 3.1Å; R15-C300 WeakPolarHBondContact O-CA 3.39Å; R15-C300 WeakPolarHBondContact O-CB 3.11Å; Y280-C300 HydrophobicContact CD2-CB 4.35Å; Y280-C300 VanDerWaalsContact CD2-SG 3.54Å; G298-C300 PolarHBondContact O-N 3.4Å; C300-A302 VanDerWaalsContact C-N 3.26Å; C300-A302 PolarHBondContact O-N 3.22Å
301	G	94.7	Very high	89.3	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	80.3	-3.6	170.8	0	0	0	0	0	115.9	V10 A17 G298	V10-G301 WeakPolarHBondContact CG1-O 3.42Å; A17-G301 WeakPolarHBondContact O-CA 3.5Å; A17-G301 PolarHBondContact O-N 2.95Å; G298-G301 PolarHBondContact O-N 3.3Å
302	A	96.9	Very high	87.5	Confident	3 Å²	3	28.6 Å²	28.6	3%	0.025	15%	0.147	C	C	.	.			trans	-62.7	140.4	171.7	0	0	0	0	0	110.8	V10 M279 G297 G298 C300	V10-A302 WeakPolarHBondContact O-CA 3.44Å; M279-A302 HydrophobicContact SD-CB 3.75Å; G297-A302 WeakPolarHBondContact CA-O 3.05Å; G298-A302 PolarHBondContact N-O 3.41Å; C300-A302 VanDerWaalsContact C-N 3.26Å; C300-A302 PolarHBondContact O-N 3.22Å
303	V	97.3	Very high	85.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	122.6	170.5	179.3	0	0	0	0	108.4	L9 V10 I19 I22 V33 I296	L9-V303 HydrophobicContact CB-CB 4.26Å; L9-V303 HydrophobicContact CB-CG1 4.02Å; L9-V303 HydrophobicContact CD1-CG1 4.12Å; L9-V303 HydrophobicContact CG-CG1 4.5Å; L9-V303 PolarHBondContact N-O 3.46Å; V10-V303 HydrophobicContact CB-CB 3.92Å; V10-V303 HydrophobicContact CB-CG2 3.95Å; V10-V303 HydrophobicContact CG2-CB 3.94Å; V10-V303 HydrophobicContact CG2-CG2 3.84Å; V10-V303 PolarHBondContact N-O 3Å; V10-V303 PolarHBondContact O-N 3.49Å; I19-V303 HydrophobicContact CD1-CG2 3.59Å; I19-V303 HydrophobicContact CG1-CG2 3.66Å; I19-V303 HydrophobicContact CG2-CG2 4.42Å; I22-V303 HydrophobicContact CD1-CG1 4.17Å; V33-V303 HydrophobicContact CG1-CG2 3.83Å; V33-V303 HydrophobicContact CG2-CG1 4.3Å; I296-V303 VanDerWaalsContact O-CA 3.3Å; I296-V303 WeakPolarHBondContact O-CA 3.24Å
304	E	96.7	Very high	82.8	Confident	25 Å²	25	35.6 Å²	35.6	12%	0.117	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	151.1	-178.9	-70.1	-171.9	-156.3	0	0	111.4	Y5 V276 A295 I296 F306	Y5-E304 HydrophobicContact CE2-CG 4.27Å; Y5-E304 WeakPolarHBondContact CE2-OE2 3.34Å; V276-E304 VanDerWaalsContact CG1-OE1 3.3Å; V276-E304 WeakPolarHBondContact CG1-OE1 3.18Å; V276-E304 WeakPolarHBondContact CG1-OE2 3.46Å; A295-E304 WeakPolarHBondContact CA-O 3.11Å; I296-E304 HydrophobicContact CD1-CB 4.5Å; I296-E304 HydrophobicContact CG1-CB 4.06Å; I296-E304 PolarHBondContact N-O 2.7Å; I296-E304 PolarHBondContact O-N 3.37Å; E304-F306 HydrophobicContact CB-CD2 4.45Å; E304-F306 HydrophobicContact CB-CE2 3.63Å; E304-F306 HydrophobicContact CB-CZ 4.27Å; E304-F306 VanDerWaalsContact OE2-CZ 3.27Å; E304-F306 WeakPolarHBondContact OE2-CZ 3.07Å
305	L	95.9	Very high	80.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.3	-177.4	-173.4	63.4	0	0	0	109.5	D6 R7 L9 W24 K293 A295	D6-L305 WeakPolarHBondContact CB-O 3.46Å; D6-L305 PolarHBondContact N-O 2.67Å; D6-L305 WeakPolarHBondContact OD2-CD2 3.3Å; R7-L305 HydrophobicContact CG-CB 4.06Å; R7-L305 HydrophobicContact CG-CD2 4.08Å; R7-L305 PolarHBondContact N-O 2.91Å; R7-L305 PolarHBondContact O-N 3.38Å; L9-L305 HydrophobicContact CD1-CB 4.17Å; L9-L305 HydrophobicContact CD1-CD2 4.36Å; L9-L305 HydrophobicContact CD2-CB 4.48Å; L9-L305 HydrophobicContact CD2-CD2 4.22Å; L9-L305 HydrophobicContact CG-CB 4.14Å; W24-L305 HydrophobicContact CZ2-CD1 3.84Å; K293-L305 HydrophobicContact CB-CD1 4Å; K293-L305 HydrophobicContact CD-CD1 3.97Å; K293-L305 HydrophobicContact CD-CD2 3.88Å; K293-L305 HydrophobicContact CD-CG 4.01Å; A295-L305 HydrophobicContact CB-CD1 4.09Å
306	F	94.4	Very high	77.8	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.026	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.3	-179	-62.6	-104.3	0	0	0	110.3	V3 K4 Y5 F256 I274 V276 K293 I294 I296 E304	V3-F306 HydrophobicContact CG1-CB 3.69Å; V3-F306 HydrophobicContact CG1-CD1 3.98Å; V3-F306 HydrophobicContact CG1-CG 4.13Å; K4-F306 CarbonylContact O-C 3.32Å; K4-F306 VanDerWaalsContact O-CA 3.23Å; K4-F306 WeakPolarHBondContact O-CA 3.22Å; K4-F306 WeakPolarHBondContact O-CB 3.31Å; Y5-F306 AromaticContact CD2-CE1 3.97Å; Y5-F306 HydrophobicContact CD2-CE1 3.97Å; Y5-F306 HydrophobicContact CD2-CZ 4.02Å; F256-F306 HydrophobicContact CE1-CD1 4.47Å; F256-F306 HydrophobicContact CE1-CD2 4.31Å; F256-F306 HydrophobicContact CE1-CE1 4.22Å; F256-F306 HydrophobicContact CE1-CE2 4.08Å; F256-F306 HydrophobicContact CE1-CZ 4.04Å; F256-F306 HydrophobicContact CZ-CD1 4.21Å; F256-F306 HydrophobicContact CZ-CD2 4.32Å; F256-F306 HydrophobicContact CZ-CE1 4.4Å; F256-F306 HydrophobicContact CZ-CG 4.2Å; I274-F306 HydrophobicContact CG2-CD1 4.48Å; I274-F306 HydrophobicContact CG2-CE1 3.87Å; I274-F306 HydrophobicContact CG2-CZ 4.48Å; V276-F306 HydrophobicContact CG1-CZ 4.24Å; V276-F306 HydrophobicContact CG2-CE1 4.34Å; V276-F306 HydrophobicContact CG2-CE2 4.44Å; V276-F306 HydrophobicContact CG2-CZ 3.67Å; K293-F306 CarbonylContact C-O 3.54Å; K293-F306 WeakPolarHBondContact CA-O 3.07Å; I294-F306 HydrophobicContact CG2-CB 3.82Å; I294-F306 PolarHBondContact N-O 2.93Å; I294-F306 PolarHBondContact O-N 3Å; I296-F306 HydrophobicContact CD1-CD2 4.3Å; I296-F306 HydrophobicContact CD1-CE2 3.47Å; I296-F306 VanDerWaalsContact CD1-CE2 3.47Å; I296-F306 HydrophobicContact CD1-CZ 4.12Å; I296-F306 HydrophobicContact CG1-CD2 4.38Å; I296-F306 HydrophobicContact CG1-CE2 3.82Å; E304-F306 HydrophobicContact CB-CD2 4.45Å; E304-F306 HydrophobicContact CB-CE2 3.63Å; E304-F306 HydrophobicContact CB-CZ 4.27Å; E304-F306 VanDerWaalsContact OE2-CZ 3.27Å; E304-F306 WeakPolarHBondContact OE2-CZ 3.07Å
307	D	90.6	Very high	75.5	Confident	59 Å²	59	54.2 Å²	54.2	32%	0.316	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	133.1	166.9	-79.2	-39.1	0	0	0	110.4	V3 K4 K293	V3-D307 WeakPolarHBondContact CA-O 3.4Å; K4-D307 HydrophobicContact CB-CB 4.46Å; K4-D307 PolarHBondContact N-O 3.25Å; K4-D307 PolarHBondContact O-N 2.83Å; K293-D307 IonicContact NZ-OD1 3.9Å; K293-D307 PolarHBondContact NZ-OD1 3.37Å; K293-D307 IonicContact NZ-OD2 3.2Å
308	C	85.5	Confident	73.5	Confident	12 Å²	12	55.5 Å²	55.5	8%	0.081	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.5	-179.2	-69.1	0	0	0	0	109.5	M1 W287 S291 S292 I294	M1-C308 HydrophobicContact CE-CB 3.78Å; M1-C308 WeakPolarHBondContact CE-SG 3.18Å; W287-C308 HydrophobicContact CZ2-CB 4.42Å; S291-C308 WeakPolarHBondContact O-CB 3.24Å; S292-C308 PolarHBondContact O-N 3.48Å; I294-C308 WeakPolarHBondContact CG2-SG 3.29Å
309	C	71	Confident	72	Confident	56 Å²	56	58 Å²	58	38%	0.378	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	118.7	174.7	-170.1	0	0	0	0	109.4	F2 K311	F2-C309 PolarHBondContact N-O 3Å; F2-C309 PolarHBondContact O-N 2.93Å; C309-K311 PolarHBondContact O-N 2.87Å; C309-K311 PolarHBondContact SG-O 3.12Å
310	L	60.7	Low	71.1	Confident	56 Å²	56	56.7 Å²	56.7	29%	0.293	31%	0.308	S	S	.	.	S	Bend	trans	-58.8	-38.8	178.4	-69.8	174.8	0	0	0	111.4	M1 S247 F319	M1-L310 HydrophobicContact CB-CD2 4.23Å; M1-L310 HydrophobicContact CG-CD2 4.46Å; S247-L310 WeakPolarHBondContact OG-CD2 3.28Å; L310-F319 HydrophobicContact CB-CE1 4.44Å
311	K	54.6	Low	70.2	Confident	98 Å²	98	57.3 Å²	57.3	43%	0.426	31%	0.31	S	S	.	.			trans	-167.9	133.4	169.7	-116.7	162.7	167.8	175	0	110.1	F2 C309 L313 F319	F2-K311 HydrophobicContact CE2-CG 3.95Å; C309-K311 PolarHBondContact O-N 2.87Å; C309-K311 PolarHBondContact SG-O 3.12Å; K311-L313 HydrophobicContact CB-CD1 4.49Å; K311-L313 HydrophobicContact CB-CG 4.31Å; K311-L313 HydrophobicContact CD-CD1 3.69Å; K311-L313 HydrophobicContact CD-CG 4.22Å; K311-L313 HydrophobicContact CG-CD1 4.22Å; K311-L313 HydrophobicContact CG-CG 4.2Å; K311-L313 PolarHBondContact O-N 2.71Å; K311-F319 HydrophobicContact CB-CE1 3.76Å; K311-F319 HydrophobicContact CB-CZ 3.53Å; K311-F319 HydrophobicContact CD-CE1 4.31Å; K311-F319 HydrophobicContact CD-CZ 4.19Å
312	Q	46.4	Very low	69.6	Low	181 Å²	181	58.6 Å²	58.6	85%	0.846	32%	0.317	S	S	*	.			trans	-87.6	94.4	162.3	-170.9	174.3	4.7	0	0	108
313	L	41.7	Very low	68.8	Low	79 Å²	79	61.1 Å²	61.1	41%	0.414	33%	0.329	S	S	.	.			trans	-123.3	139.8	172.8	-77.1	178.4	0	0	0	109.9	K311 R317	K311-L313 HydrophobicContact CB-CD1 4.49Å; K311-L313 HydrophobicContact CB-CG 4.31Å; K311-L313 HydrophobicContact CD-CD1 3.69Å; K311-L313 HydrophobicContact CD-CG 4.22Å; K311-L313 HydrophobicContact CG-CD1 4.22Å; K311-L313 HydrophobicContact CG-CG 4.2Å; K311-L313 PolarHBondContact O-N 2.71Å; L313-R317 HydrophobicContact CD1-CB 4.11Å; L313-R317 HydrophobicContact CD1-CG 4.22Å
314	S	39.1	Very low	68.1	Low	113 Å²	113	62.2 Å²	62.2	79%	0.79	34%	0.336	S	S	*	.			trans	-57	137.5	162.8	40.8	0	0	0	0	109.8	G316	S314-G316 PolarHBondContact O-N 2.65Å
315	I	42.3	Very low	67.3	Low	159 Å²	159	65.6 Å²	65.6	82%	0.815	35%	0.35	S	S	*	.	S	Bend	trans	-24.7	112.9	177.6	-56.9	160.4	0	0	0	112.1
316	G	43.5	Very low	66.4	Low	56 Å²	56	67.3 Å²	67.3	58%	0.577	36%	0.36	S	S	*	.			trans	141	24.6	172	0	0	0	0	0	119.3	S314	S314-G316 PolarHBondContact O-N 2.65Å
317	R	48.8	Very low	65.4	Low	177 Å²	177	78.9 Å²	78.9	67%	0.668	40%	0.403	S	S	*	.	S	Bend	trans	-139.2	144.8	165.4	-67.6	-164	-174.4	-174.8	4.2	111.7	L313 F319	L313-R317 HydrophobicContact CD1-CB 4.11Å; L313-R317 HydrophobicContact CD1-CG 4.22Å; R317-F319 WeakPolarHBondContact O-CD2 3.42Å; R317-F319 VanDerWaalsContact O-CE2 3.27Å; R317-F319 WeakPolarHBondContact O-CE2 3.42Å
318	G	55.5	Low	64.6	Low	26 Å²	26	85.4 Å²	85.4	27%	0.268	43%	0.429	S	S	.	.			trans	-58.8	130.8	-172	0	0	0	0	0	115.7	I343	G318-I343 WeakPolarHBondContact CA-O 3.43Å
319	F	65.8	Low	64.1	Low	52 Å²	52	86.8 Å²	86.8	23%	0.228	44%	0.439	C	S	.	.	B	Isolated β-bridge	trans	-135.1	145.2	167.6	-62.7	-76.8	0	0	0	110	L310 K311 R317 Q321 I322 I343	L310-F319 HydrophobicContact CB-CE1 4.44Å; K311-F319 HydrophobicContact CB-CE1 3.76Å; K311-F319 HydrophobicContact CB-CZ 3.53Å; K311-F319 HydrophobicContact CD-CE1 4.31Å; K311-F319 HydrophobicContact CD-CZ 4.19Å; R317-F319 WeakPolarHBondContact O-CD2 3.42Å; R317-F319 VanDerWaalsContact O-CE2 3.27Å; R317-F319 WeakPolarHBondContact O-CE2 3.42Å; F319-Q321 VanDerWaalsContact C-N 3.35Å; F319-I322 HydrophobicContact CB-CG2 3.98Å; F319-I322 HydrophobicContact CD2-CG2 4.46Å; F319-I343 WeakPolarHBondContact O-CB 3.28Å; F319-I343 VanDerWaalsContact O-CG1 3.23Å; F319-I343 WeakPolarHBondContact O-CG1 3.34Å; F319-I343 PolarHBondContact O-N 3.14Å
320	V	75.6	Confident	64.3	Low	23 Å²	23	90.8 Å²	90.8	14%	0.139	46%	0.462	C	S	.	.	S	Bend	trans	-80.3	-20.6	175.8	-178.3	0	0	0	0	112	R336 S337 A340	V320-R336 WeakPolarHBondContact O-CA 3.49Å; V320-S337 PolarHBondContact O-N 3.31Å; V320-A340 HydrophobicContact CG1-CB 4.44Å
321	Q	78.4	Confident	65	Low	22 Å²	22	90.9 Å²	90.9	10%	0.103	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	135.6	177.4	-177	-172.5	3.7	0	0	109.2	S291 F319 T334 L335 R336	S291-Q321 PolarHBondContact OG-NE2 2.79Å; S291-Q321 PolarHBondContact OG-OE1 3.3Å; F319-Q321 VanDerWaalsContact C-N 3.35Å; Q321-T334 HydrophobicContact CG-CG2 3.97Å; Q321-L335 CarbonylContact C-O 3.55Å; Q321-L335 WeakPolarHBondContact CA-O 3.33Å; Q321-R336 HydrophobicContact CG-CB 4.34Å
322	I	80	Confident	66.4	Low	28 Å²	28	89 Å²	89	14%	0.144	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.7	172.2	63.6	175.8	0	0	0	110.4	F319 V324 T334 L335 I343 V346 A357	F319-I322 HydrophobicContact CB-CG2 3.98Å; F319-I322 HydrophobicContact CD2-CG2 4.46Å; I322-V324 HydrophobicContact CD1-CG2 4.21Å; I322-T334 CarbonylContact O-C 3.48Å; I322-T334 WeakPolarHBondContact O-CA 3.36Å; I322-L335 HydrophobicContact CD1-CB 4.31Å; I322-L335 HydrophobicContact CD1-CD1 4.26Å; I322-L335 HydrophobicContact CG1-CB 3.79Å; I322-L335 PolarHBondContact N-O 3.38Å; I322-L335 PolarHBondContact O-N 2.11Å; I322-I343 HydrophobicContact CD1-CD1 4.37Å; I322-I343 HydrophobicContact CD1-CG2 4.38Å; I322-I343 HydrophobicContact CG1-CD1 4.09Å; I322-I343 HydrophobicContact CG2-CD1 4.21Å; I322-V346 HydrophobicContact CD1-CB 4.25Å; I322-V346 HydrophobicContact CD1-CG1 3.75Å; I322-V346 HydrophobicContact CD1-CG2 3.41Å; I322-V346 VanDerWaalsContact CD1-CG2 3.41Å; I322-A357 HydrophobicContact CD1-CB 4.45Å
323	L	82.1	Confident	68.2	Low	55 Å²	55	80.5 Å²	80.5	29%	0.288	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	104.8	175	175.1	56.6	0	0	0	108.2	D290 K325 R332 T334	D290-L323 HydrophobicContact CB-CD1 4.33Å; D290-L323 HydrophobicContact CB-CD2 4.11Å; L323-K325 HydrophobicContact CD1-CG 4.24Å; L323-K325 HydrophobicContact CD2-CD 4.23Å; L323-K325 HydrophobicContact CG-CD 4.23Å; L323-K325 HydrophobicContact CG-CG 4.16Å; L323-R332 HydrophobicContact CD1-CB 4.32Å; L323-T334 WeakPolarHBondContact CD1-OG1 3.45Å
324	V	81	Confident	70.2	Confident	23 Å²	23	78.7 Å²	78.7	14%	0.139	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.6	171.9	-173.8	0	0	0	0	107.6	I322 R332 L333 V348 V355 M368	I322-V324 HydrophobicContact CD1-CG2 4.21Å; V324-R332 CarbonylContact O-C 3.6Å; V324-R332 VanDerWaalsContact O-CA 3.25Å; V324-R332 WeakPolarHBondContact O-CA 3.34Å; V324-L333 PolarHBondContact N-O 2.92Å; V324-L333 PolarHBondContact O-N 2.84Å; V324-V348 HydrophobicContact CG1-CG2 4.38Å; V324-V355 HydrophobicContact CB-CG2 4.28Å; V324-V355 HydrophobicContact CG1-CG2 4.03Å; V324-V355 HydrophobicContact CG2-CG1 4.04Å; V324-V355 HydrophobicContact CG2-CG2 4.27Å; V324-M368 HydrophobicContact CG1-CE 4.12Å; V324-M368 HydrophobicContact CG1-SD 3.73Å
325	K	79.5	Confident	72.4	Confident	96 Å²	96	73.3 Å²	73.3	42%	0.417	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.7	177	-81.3	175.5	171.1	168.8	0	108.1	D290 L323 R332	D290-K325 IonicContact OD2-NZ 3.93Å; L323-K325 HydrophobicContact CD1-CG 4.24Å; L323-K325 HydrophobicContact CD2-CD 4.23Å; L323-K325 HydrophobicContact CG-CD 4.23Å; L323-K325 HydrophobicContact CG-CG 4.16Å; K325-R332 HydrophobicContact CG-CB 3.78Å
326	N	77.3	Confident	74.4	Confident	37 Å²	37	70.7 Å²	70.7	20%	0.198	35%	0.346	C	S	.	.			trans	-64	143.6	164.2	-164.5	-35.2	0	0	0	107.6	K328 S329 E331 M368	N326-K328 PolarHBondContact OD1-N 2.78Å; N326-S329 WeakPolarHBondContact CB-OG 3.2Å; N326-S329 PolarHBondContact ND2-OG 3.18Å; N326-S329 PolarHBondContact OD1-N 2.97Å; N326-E331 HydrophobicContact CB-CB 4.25Å; N326-E331 PolarHBondContact N-O 2.65Å; N326-E331 PolarHBondContact ND2-OE2 3.39Å; N326-M368 HydrophobicContact CB-CE 3.89Å
327	R	73.4	Confident	76.4	Confident	248 Å²	248	68.1 Å²	68.1	94%	0.936	32%	0.319	S	S	*	.	S	Bend	trans	-90.7	-15.1	177.4	-69.9	-173.5	176.7	-168.2	0.1	112.9
328	K	74.9	Confident	78	Confident	196 Å²	196	67.3 Å²	67.3	85%	0.852	32%	0.316	S	S	*	.	S	Bend	trans	-106.7	-39.1	-176.5	-62.9	177.3	-178.9	172	0	112.2	N326	N326-K328 PolarHBondContact OD1-N 2.78Å
329	S	73.7	Confident	79.1	Confident	42 Å²	42	71.6 Å²	71.6	29%	0.294	33%	0.325	S	S	.	.	S	Bend	trans	-101	173.4	173.7	75.3	0	0	0	0	111.3	N326 E331	N326-S329 WeakPolarHBondContact CB-OG 3.2Å; N326-S329 PolarHBondContact ND2-OG 3.18Å; N326-S329 PolarHBondContact OD1-N 2.97Å; S329-E331 WeakPolarHBondContact CB-OE2 3.44Å; S329-E331 WeakPolarHBondContact OG-CB 3.27Å; S329-E331 VanDerWaalsContact OG-CG 3.32Å; S329-E331 WeakPolarHBondContact OG-CG 3.42Å; S329-E331 PolarHBondContact OG-N 2.6Å; S329-E331 PolarHBondContact OG-OE2 2.88Å
330	T	75.4	Confident	79.4	Confident	140 Å²	140	71.6 Å²	71.6	86%	0.859	33%	0.334	S	S	*	.	S	Bend	trans	-81.4	-0.3	173.1	48.4	0	0	0	0	113.5
331	E	77.1	Confident	79.6	Confident	57 Å²	57	71.9 Å²	71.9	27%	0.266	34%	0.335	S	S	.	.			trans	-66.6	134.4	-174.7	-62.7	158.3	149.6	0	0	111.6	N326 S329 M368	N326-E331 HydrophobicContact CB-CB 4.25Å; N326-E331 PolarHBondContact N-O 2.65Å; N326-E331 PolarHBondContact ND2-OE2 3.39Å; S329-E331 WeakPolarHBondContact CB-OE2 3.44Å; S329-E331 WeakPolarHBondContact OG-CB 3.27Å; S329-E331 VanDerWaalsContact OG-CG 3.32Å; S329-E331 WeakPolarHBondContact OG-CG 3.42Å; S329-E331 PolarHBondContact OG-N 2.6Å; S329-E331 PolarHBondContact OG-OE2 2.88Å; E331-M368 HydrophobicContact CB-CB 4.37Å; E331-M368 HydrophobicContact CB-CE 4.25Å
332	R	82.2	Confident	79.7	Confident	58 Å²	58	76.5 Å²	76.5	22%	0.219	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	142.3	179.1	66.1	-179.7	175.9	-146.4	1	111.2	E45 L323 V324 K325	E45-R332 IonicContact OE1-NH1 3.55Å; E45-R332 PolarHBondContact OE1-NH1 3.34Å; E45-R332 IonicContact OE2-CZ 3.72Å; E45-R332 IonicContact OE2-NH1 3.67Å; E45-R332 PolarHBondContact OE2-NH1 3.49Å; E45-R332 IonicContact OE2-NH2 3.9Å; E45-R332 PolarHBondContact OE2-NH2 2.97Å; L323-R332 HydrophobicContact CD1-CB 4.32Å; V324-R332 CarbonylContact O-C 3.6Å; V324-R332 VanDerWaalsContact O-CA 3.25Å; V324-R332 WeakPolarHBondContact O-CA 3.34Å; K325-R332 HydrophobicContact CG-CB 3.78Å
333	L	84	Confident	79.8	Confident	3 Å²	3	75.3 Å²	75.3	2%	0.016	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	122.2	177.3	-173	65	0	0	0	109.3	V324 L335 V355 M368 G371 F373	V324-L333 PolarHBondContact N-O 2.92Å; V324-L333 PolarHBondContact O-N 2.84Å; L333-L335 HydrophobicContact CD2-CD2 3.75Å; L333-L335 HydrophobicContact CD2-CG 4.24Å; L333-L335 HydrophobicContact CG-CD2 3.85Å; L333-L335 HydrophobicContact CG-CG 4.26Å; L333-V355 HydrophobicContact CD2-CB 4.08Å; L333-V355 HydrophobicContact CD2-CG2 3.98Å; L333-M368 HydrophobicContact CB-CG 3.93Å; L333-M368 HydrophobicContact CD2-CG 4.25Å; L333-G371 WeakPolarHBondContact CD1-O 3.11Å; L333-F373 HydrophobicContact CD1-CB 4.4Å; L333-F373 HydrophobicContact CD1-CD1 4.49Å
334	T	84.9	Confident	79.7	Confident	41 Å²	41	76.1 Å²	76.1	25%	0.252	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	101	174.6	-56.7	0	0	0	0	108.2	Q321 I322 L323 F373	Q321-T334 HydrophobicContact CG-CG2 3.97Å; I322-T334 CarbonylContact O-C 3.48Å; I322-T334 WeakPolarHBondContact O-CA 3.36Å; L323-T334 WeakPolarHBondContact CD1-OG1 3.45Å; T334-F373 VanDerWaalsContact O-CE1 3.24Å; T334-F373 WeakPolarHBondContact O-CE1 3.48Å
335	L	84.8	Confident	79.7	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	131.4	173.6	-62.9	-174.2	0	0	0	109.2	Q321 I322 L333 V355 A357 L364 F373	Q321-L335 CarbonylContact C-O 3.55Å; Q321-L335 WeakPolarHBondContact CA-O 3.33Å; I322-L335 HydrophobicContact CD1-CB 4.31Å; I322-L335 HydrophobicContact CD1-CD1 4.26Å; I322-L335 HydrophobicContact CG1-CB 3.79Å; I322-L335 PolarHBondContact N-O 3.38Å; I322-L335 PolarHBondContact O-N 2.11Å; L333-L335 HydrophobicContact CD2-CD2 3.75Å; L333-L335 HydrophobicContact CD2-CG 4.24Å; L333-L335 HydrophobicContact CG-CD2 3.85Å; L333-L335 HydrophobicContact CG-CG 4.26Å; L335-V355 HydrophobicContact CD1-CB 4.08Å; L335-V355 HydrophobicContact CD1-CG1 3.51Å; L335-A357 HydrophobicContact CD1-CB 3.85Å; L335-L364 HydrophobicContact CB-CD2 3.93Å; L335-L364 HydrophobicContact CD1-CB 4.32Å; L335-F373 HydrophobicContact CD2-CB 3.3Å; L335-F373 HydrophobicContact CD2-CD1 3.87Å; L335-F373 HydrophobicContact CD2-CD2 3.71Å; L335-F373 HydrophobicContact CD2-CE2 4.48Å; L335-F373 HydrophobicContact CD2-CG 3.35Å
336	R	84.2	Confident	80.1	Confident	105 Å²	105	75.9 Å²	75.9	40%	0.396	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	125.3	177.9	176.5	-175.6	178.2	163.3	7.2	109.1	P243 V320 Q321 R338 F373	P243-R336 PolarHBondContact O-NH1 3.38Å; V320-R336 WeakPolarHBondContact O-CA 3.49Å; Q321-R336 HydrophobicContact CG-CB 4.34Å; R336-R338 PolarHBondContact O-N 3.31Å; R336-F373 HydrophobicContact CB-CZ 4.42Å
337	S	85.2	Confident	80.5	Confident	2 Å²	2	78.2 Å²	78.2	1%	0.014	37%	0.371	C	S	.	.			trans	-71.7	126	168.4	-177.7	0	0	0	0	110.1	V320 Y339 D341 E375	V320-S337 PolarHBondContact O-N 3.31Å; S337-Y339 PolarHBondContact OG-N 2.96Å; S337-D341 PolarHBondContact OG-N 2.91Å; S337-E375 WeakPolarHBondContact CA-OE1 3.37Å; S337-E375 WeakPolarHBondContact CA-OE2 3.31Å; S337-E375 WeakPolarHBondContact CB-OE1 3.34Å; S337-E375 PolarHBondContact OG-OE1 2.98Å
338	R	82.4	Confident	81.1	Confident	159 Å²	159	69.4 Å²	69.4	60%	0.6	34%	0.344	S	S	*	.	S	Bend	trans	-75.3	-32.6	172.7	-59.4	175.3	178.7	-141.6	-3.2	111.1	R336 A340 E375 N410	R336-R338 PolarHBondContact O-N 3.31Å; R338-A340 PolarHBondContact O-N 2.92Å; R338-E375 WeakPolarHBondContact CB-OE2 3.28Å; R338-E375 WeakPolarHBondContact CG-OE2 3.38Å; R338-E375 PolarHBondContact N-OE2 3.03Å; R338-N410 VanDerWaalsContact CZ-CG 3.41Å; R338-N410 VanDerWaalsContact CZ-ND2 3.34Å; R338-N410 VanDerWaalsContact CZ-OD1 3.3Å; R338-N410 PolarHBondContact NE-OD1 3.05Å; R338-N410 PolarHBondContact NH1-ND2 3.12Å; R338-N410 PolarHBondContact NH2-ND2 3.26Å; R338-N410 PolarHBondContact NH2-OD1 3.46Å
339	Y	80.4	Confident	81.6	Confident	117 Å²	117	62.6 Å²	62.6	46%	0.459	32%	0.317	S	S	.	.	S	Bend	trans	-77.9	0.2	176.8	-57.4	-67.3	0	0	0	113.5	S337 D341 E375 L377	S337-Y339 PolarHBondContact OG-N 2.96Å; Y339-D341 PolarHBondContact O-N 2.85Å; Y339-D341 VanDerWaalsContact O-N 3.16Å; Y339-E375 HydrophobicContact CD2-CG 4.2Å; Y339-E375 WeakPolarHBondContact CD2-OE1 3.35Å; Y339-E375 HydrophobicContact CE2-CG 4.1Å; Y339-L377 HydrophobicContact CD2-CD2 4.36Å; Y339-L377 HydrophobicContact CE1-CD2 4.18Å; Y339-L377 HydrophobicContact CE2-CD2 3.79Å; Y339-L377 HydrophobicContact CE2-CG 4.38Å
340	A	71.9	Confident	81.7	Confident	51 Å²	51	62.6 Å²	62.6	42%	0.421	32%	0.323	S	S	.	.			trans	58.1	18	-174.2	0	0	0	0	0	114.7	V320 R338	V320-A340 HydrophobicContact CG1-CB 4.44Å; R338-A340 PolarHBondContact O-N 2.92Å
341	D	78.8	Confident	82	Confident	30 Å²	30	63.8 Å²	63.8	16%	0.16	32%	0.324	C	S	.	.			trans	-67.9	151.1	173.2	-94.5	-18.8	0	0	0	110.6	S337 Y339 I343 C359 N361	S337-D341 PolarHBondContact OG-N 2.91Å; Y339-D341 PolarHBondContact O-N 2.85Å; Y339-D341 VanDerWaalsContact O-N 3.16Å; D341-I343 PolarHBondContact O-N 2.74Å; D341-C359 HydrophobicContact CB-CB 3.78Å; D341-N361 PolarHBondContact OD2-N 2.79Å; D341-N361 VanDerWaalsContact OD2-N 3.09Å; D341-N361 PolarHBondContact OD2-ND2 3.47Å
342	E	80.1	Confident	82	Confident	118 Å²	118	65.6 Å²	65.6	55%	0.551	34%	0.336	S	S	*	.			trans	-74.7	122.7	173	-74.2	-174.6	-164.7	0	0	110.9	S344	E342-S344 PolarHBondContact O-N 3.15Å; E342-S344 VanDerWaalsContact O-N 3.08Å
343	I	82.6	Confident	82.3	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.021	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-68.5	104.5	170.1	-61.5	165.6	0	0	0	108.4	G318 F319 I322 D341 V346 A357 C359	G318-I343 WeakPolarHBondContact CA-O 3.43Å; F319-I343 WeakPolarHBondContact O-CB 3.28Å; F319-I343 VanDerWaalsContact O-CG1 3.23Å; F319-I343 WeakPolarHBondContact O-CG1 3.34Å; F319-I343 PolarHBondContact O-N 3.14Å; I322-I343 HydrophobicContact CD1-CD1 4.37Å; I322-I343 HydrophobicContact CD1-CG2 4.38Å; I322-I343 HydrophobicContact CG1-CD1 4.09Å; I322-I343 HydrophobicContact CG2-CD1 4.21Å; D341-I343 PolarHBondContact O-N 2.74Å; I343-V346 HydrophobicContact CG2-CG2 3.68Å; I343-A357 HydrophobicContact CG2-CB 3.74Å; I343-C359 VanDerWaalsContact CG1-SG 3.56Å
344	S	80	Confident	82.6	Confident	71 Å²	71	65.9 Å²	65.9	50%	0.497	34%	0.337	S	S	.	.			trans	-85.5	-35	-172.8	63.1	0	0	0	0	113.7	E342 K358	E342-S344 PolarHBondContact O-N 3.15Å; E342-S344 VanDerWaalsContact O-N 3.08Å; S344-K358 PolarHBondContact N-O 3.08Å; S344-K358 PolarHBondContact OG-O 2.98Å
345	E	81.8	Confident	82.9	Confident	70 Å²	70	63.9 Å²	63.9	33%	0.327	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	143.1	-178.6	-174.8	-179.7	-133.6	0	0	109.5	K347 A357 K358	E345-K347 VanDerWaalsContact CD-CE 3.45Å; E345-K347 HydrophobicContact CG-CG 4.48Å; E345-K347 WeakPolarHBondContact OE1-CE 3.44Å; E345-K347 IonicContact OE1-NZ 3.89Å; E345-K347 PolarHBondContact OE1-NZ 2.85Å; E345-K347 IonicContact OE2-NZ 3Å; E345-K347 PolarHBondContact OE2-NZ 2.86Å; E345-A357 CarbonylContact O-C 3.52Å; E345-A357 WeakPolarHBondContact O-CA 3.42Å; E345-K358 HydrophobicContact CB-CB 4.23Å; E345-K358 PolarHBondContact N-O 3.46Å; E345-K358 PolarHBondContact O-N 3.04Å
346	V	86.6	Confident	83.2	Confident	45 Å²	45	64 Å²	64	27%	0.273	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	127.1	174.1	-172	0	0	0	0	108.3	I322 I343 V355 A357	I322-V346 HydrophobicContact CD1-CB 4.25Å; I322-V346 HydrophobicContact CD1-CG1 3.75Å; I322-V346 HydrophobicContact CD1-CG2 3.41Å; I322-V346 VanDerWaalsContact CD1-CG2 3.41Å; I343-V346 HydrophobicContact CG2-CG2 3.68Å; V346-V355 HydrophobicContact CG1-CG1 3.85Å; V346-A357 HydrophobicContact CG1-CB 4.48Å; V346-A357 HydrophobicContact CG2-CB 4.24Å
347	K	85.8	Confident	83.5	Confident	86 Å²	86	59 Å²	59	37%	0.374	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.3	176.1	-75	170.5	173.7	142	0	108.9	E345 L349 V355 V356	E345-K347 VanDerWaalsContact CD-CE 3.45Å; E345-K347 HydrophobicContact CG-CG 4.48Å; E345-K347 WeakPolarHBondContact OE1-CE 3.44Å; E345-K347 IonicContact OE1-NZ 3.89Å; E345-K347 PolarHBondContact OE1-NZ 2.85Å; E345-K347 IonicContact OE2-NZ 3Å; E345-K347 PolarHBondContact OE2-NZ 2.86Å; K347-L349 HydrophobicContact CB-CD1 4.39Å; K347-L349 HydrophobicContact CB-CD2 4.46Å; K347-L349 HydrophobicContact CB-CG 4.22Å; K347-V355 WeakPolarHBondContact O-CA 3.34Å; K347-V356 PolarHBondContact N-O 3.33Å; K347-V356 PolarHBondContact O-N 3Å
348	V	85.8	Confident	83.7	Confident	62 Å²	62	60.7 Å²	60.7	38%	0.376	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131	167.2	-169.4	0	0	0	0	107	V324 D352 F354	V324-V348 HydrophobicContact CG1-CG2 4.38Å; V348-D352 HydrophobicContact CG1-CB 4.48Å; V348-F354 CarbonylContact C-O 3.51Å; V348-F354 VanDerWaalsContact CA-O 3.31Å; V348-F354 WeakPolarHBondContact CA-O 3.32Å
349	L	85.6	Confident	83.9	Confident	54 Å²	54	53.7 Å²	53.7	28%	0.283	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	160.9	-167.8	-61.7	174	0	0	0	110.3	K347 F354 V356 F386 F388	K347-L349 HydrophobicContact CB-CD1 4.39Å; K347-L349 HydrophobicContact CB-CD2 4.46Å; K347-L349 HydrophobicContact CB-CG 4.22Å; L349-F354 PolarHBondContact N-O 3.17Å; L349-F354 PolarHBondContact O-N 2.86Å; L349-V356 HydrophobicContact CD1-CB 4.42Å; L349-V356 HydrophobicContact CD1-CG2 3.97Å; L349-F386 HydrophobicContact CD1-CB 4.47Å; L349-F386 HydrophobicContact CD1-CD2 4.3Å; L349-F388 HydrophobicContact CB-CD2 4.36Å; L349-F388 HydrophobicContact CB-CE2 3.57Å; L349-F388 HydrophobicContact CB-CZ 4.05Å; L349-F388 HydrophobicContact CD1-CE2 3.74Å; L349-F388 HydrophobicContact CD1-CZ 3.83Å; L349-F388 HydrophobicContact CG-CE2 4.29Å
350	G	77.2	Confident	84.1	Confident	41 Å²	41	58 Å²	58	42%	0.423	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	64.5	178.2	0	0	0	0	0	113.2	D352 R353	G350-D352 PolarHBondContact O-N 2.83Å; G350-R353 WeakPolarHBondContact O-CB 3.12Å; G350-R353 PolarHBondContact O-N 2.9Å
351	N	79.8	Confident	84.7	Confident	166 Å²	166	59.6 Å²	59.6	89%	0.888	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	53	176.7	-60.7	-12.4	0	0	0	114.1	R353	N351-R353 PolarHBondContact O-N 2.83Å; N351-R353 VanDerWaalsContact O-N 3.12Å
352	D	79	Confident	85.3	Confident	94 Å²	94	58.4 Å²	58.4	50%	0.503	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	9.9	179.3	-60.6	-26.3	0	0	0	116	V348 G350	V348-D352 HydrophobicContact CG1-CB 4.48Å; G350-D352 PolarHBondContact O-N 2.83Å
353	R	86.8	Confident	85.9	Confident	57 Å²	57	52.8 Å²	52.8	22%	0.215	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-42.8	-178.9	-178.7	174.8	173.7	-176.6	2.6	114.4	G350 N351 D367 M368 F369 E391	G350-R353 WeakPolarHBondContact O-CB 3.12Å; G350-R353 PolarHBondContact O-N 2.9Å; N351-R353 PolarHBondContact O-N 2.83Å; N351-R353 VanDerWaalsContact O-N 3.12Å; R353-D367 WeakPolarHBondContact CG-OD1 3.31Å; R353-D367 IonicContact CZ-OD1 2.81Å; R353-D367 IonicContact CZ-OD2 2.98Å; R353-D367 IonicContact NE-OD1 3.01Å; R353-D367 PolarHBondContact NE-OD1 2.91Å; R353-D367 IonicContact NE-OD2 2.68Å; R353-D367 IonicContact NH2-OD1 3.33Å; R353-D367 PolarHBondContact NH2-OD1 2.8Å; R353-D367 IonicContact NH2-OD2 3.24Å; R353-D367 PolarHBondContact NH2-OD2 3Å; R353-M368 VanDerWaalsContact O-CB 3.25Å; R353-M368 WeakPolarHBondContact O-CB 3.36Å; R353-M368 VanDerWaalsContact O-CG 3.31Å; R353-M368 WeakPolarHBondContact O-CG 3.35Å; R353-M368 PolarHBondContact O-N 3.42Å; R353-F369 HydrophobicContact CG-CB 4.49Å; R353-E391 IonicContact CZ-OE1 3.36Å; R353-E391 IonicContact CZ-OE2 3.23Å; R353-E391 IonicContact NH1-OE1 3Å; R353-E391 PolarHBondContact NH1-OE1 3.17Å; R353-E391 IonicContact NH1-OE2 3.89Å; R353-E391 PolarHBondContact NH1-OE2 2.87Å; R353-E391 VanDerWaalsContact NH2-CD 3.29Å; R353-E391 IonicContact NH2-OE1 2.94Å; R353-E391 PolarHBondContact NH2-OE1 3.43Å; R353-E391 IonicContact NH2-OE2 2.8Å; R353-E391 PolarHBondContact NH2-OE2 3.08Å
354	F	90.5	Very high	86.4	Confident	10 Å²	10	52.6 Å²	52.6	4%	0.044	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.7	-169.8	-55.6	-78.4	0	0	0	111.8	V348 L349 G366 D367 F388 Y407	V348-F354 CarbonylContact C-O 3.51Å; V348-F354 VanDerWaalsContact CA-O 3.31Å; V348-F354 WeakPolarHBondContact CA-O 3.32Å; L349-F354 PolarHBondContact N-O 3.17Å; L349-F354 PolarHBondContact O-N 2.86Å; F354-G366 WeakPolarHBondContact CA-O 3.37Å; F354-D367 HydrophobicContact CD1-CB 3.99Å; F354-D367 HydrophobicContact CE1-CB 4.02Å; F354-F388 HydrophobicContact CB-CD1 3.78Å; F354-F388 HydrophobicContact CB-CE1 3.71Å; F354-F388 HydrophobicContact CB-CG 4.21Å; F354-F388 HydrophobicContact CB-CZ 4.1Å; F354-F388 HydrophobicContact CD1-CB 4.5Å; F354-F388 AromaticContact CD1-CD1 3.86Å; F354-F388 HydrophobicContact CD1-CD1 3.86Å; F354-F388 HydrophobicContact CD1-CE1 4.45Å; F354-F388 HydrophobicContact CD1-CG 4.42Å; F354-F388 HydrophobicContact CD2-CB 3.57Å; F354-F388 AromaticContact CD2-CD1 3.91Å; F354-F388 HydrophobicContact CD2-CD1 3.91Å; F354-F388 HydrophobicContact CD2-CD2 4.25Å; F354-F388 AromaticContact CD2-CG 3.67Å; F354-F388 HydrophobicContact CD2-CG 3.67Å; F354-F388 HydrophobicContact CE1-CB 4.41Å; F354-F388 HydrophobicContact CE1-CD1 4.43Å; F354-F388 HydrophobicContact CE2-CB 3.47Å; F354-F388 VanDerWaalsContact CE2-CB 3.47Å; F354-F388 HydrophobicContact CE2-CD1 4.47Å; F354-F388 HydrophobicContact CE2-CG 4.1Å; F354-F388 HydrophobicContact CG-CB 4.1Å; F354-F388 AromaticContact CG-CD1 3.55Å; F354-F388 HydrophobicContact CG-CD1 3.55Å; F354-F388 HydrophobicContact CG-CE1 4.03Å; F354-F388 AromaticContact CG-CG 3.83Å; F354-F388 HydrophobicContact CG-CG 3.83Å; F354-F388 HydrophobicContact CZ-CB 3.9Å; F354-Y407 HydrophobicContact CD1-CE1 4.25Å; F354-Y407 AromaticContact CD1-CZ 3.77Å; F354-Y407 WeakPolarHBondContact CD1-OH 3.41Å; F354-Y407 HydrophobicContact CE1-CE2 4.08Å; F354-Y407 AromaticContact CE1-CZ 3.74Å; F354-Y407 WeakPolarHBondContact CE1-OH 3.16Å
355	V	91	Very high	87.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.1	177.1	-170.8	0	0	0	0	109.6	V324 L333 L335 V346 K347 I365 G366 M368	V324-V355 HydrophobicContact CB-CG2 4.28Å; V324-V355 HydrophobicContact CG1-CG2 4.03Å; V324-V355 HydrophobicContact CG2-CG1 4.04Å; V324-V355 HydrophobicContact CG2-CG2 4.27Å; L333-V355 HydrophobicContact CD2-CB 4.08Å; L333-V355 HydrophobicContact CD2-CG2 3.98Å; L335-V355 HydrophobicContact CD1-CB 4.08Å; L335-V355 HydrophobicContact CD1-CG1 3.51Å; V346-V355 HydrophobicContact CG1-CG1 3.85Å; K347-V355 WeakPolarHBondContact O-CA 3.34Å; V355-I365 WeakPolarHBondContact O-CA 3.36Å; V355-G366 PolarHBondContact N-O 2.94Å; V355-G366 PolarHBondContact O-N 2.87Å; V355-M368 HydrophobicContact CG2-CG 3.76Å; V355-M368 HydrophobicContact CG2-SD 3.73Å
356	V	91.8	Very high	87.6	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.1	170	179.1	0	0	0	0	108.5	K347 L349 L363 L364 I365 F386 F388	K347-V356 PolarHBondContact N-O 3.33Å; K347-V356 PolarHBondContact O-N 3Å; L349-V356 HydrophobicContact CD1-CB 4.42Å; L349-V356 HydrophobicContact CD1-CG2 3.97Å; V356-L363 HydrophobicContact CG1-CD1 3.72Å; V356-L363 HydrophobicContact CG1-CG 4.5Å; V356-L364 CarbonylContact C-O 3.58Å; V356-L364 WeakPolarHBondContact CA-O 3.48Å; V356-I365 HydrophobicContact CG2-CG1 4.42Å; V356-F386 HydrophobicContact CG1-CE1 3.93Å; V356-F386 HydrophobicContact CG1-CE2 4.12Å; V356-F386 HydrophobicContact CG1-CZ 3.69Å; V356-F386 HydrophobicContact CG2-CD1 4.07Å; V356-F386 HydrophobicContact CG2-CE1 4.22Å; V356-F386 HydrophobicContact CG2-CG 4.27Å; V356-F388 HydrophobicContact CG2-CE1 4.28Å; V356-F388 HydrophobicContact CG2-CZ 3.78Å
357	A	90.3	Very high	87.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	126.9	178.4	0	0	0	0	0	111.1	I322 L335 I343 E345 V346 L364	I322-A357 HydrophobicContact CD1-CB 4.45Å; L335-A357 HydrophobicContact CD1-CB 3.85Å; I343-A357 HydrophobicContact CG2-CB 3.74Å; E345-A357 CarbonylContact O-C 3.52Å; E345-A357 WeakPolarHBondContact O-CA 3.42Å; V346-A357 HydrophobicContact CG1-CB 4.48Å; V346-A357 HydrophobicContact CG2-CB 4.24Å; A357-L364 HydrophobicContact CB-CB 4.19Å; A357-L364 PolarHBondContact N-O 2.91Å; A357-L364 PolarHBondContact O-N 3.04Å
358	K	88.6	Confident	87.9	Confident	36 Å²	36	40 Å²	40	16%	0.157	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	125.6	-178.1	-60.8	-159.3	176.7	-160.7	0	111.2	S344 E345 L363 S380 E384	S344-K358 PolarHBondContact N-O 3.08Å; S344-K358 PolarHBondContact OG-O 2.98Å; E345-K358 HydrophobicContact CB-CB 4.23Å; E345-K358 PolarHBondContact N-O 3.46Å; E345-K358 PolarHBondContact O-N 3.04Å; K358-L363 HydrophobicContact CG-CD1 3.82Å; K358-S380 PolarHBondContact NZ-OG 3.05Å; K358-E384 IonicContact NZ-OE1 2.65Å; K358-E384 PolarHBondContact NZ-OE1 3.14Å; K358-E384 IonicContact NZ-OE2 2.8Å; K358-E384 PolarHBondContact NZ-OE2 2.95Å
359	C	87.1	Confident	87.9	Confident	12 Å²	12	43.9 Å²	43.9	8%	0.081	22%	0.216	C	C	.	.			trans	-99.5	-175.9	165.6	-72	0	0	0	0	110	D341 I343 S362 L364	D341-C359 HydrophobicContact CB-CB 3.78Å; I343-C359 VanDerWaalsContact CG1-SG 3.56Å; C359-S362 WeakPolarHBondContact CA-O 3.41Å; C359-S362 WeakPolarHBondContact CB-O 3.31Å; C359-S362 WeakPolarHBondContact CB-OG 3.43Å; C359-S362 PolarHBondContact N-O 2.94Å; C359-L364 HydrophobicContact CB-CD1 4.47Å; C359-L364 WeakPolarHBondContact SG-CD1 3.36Å
360	R	83.9	Confident	87.8	Confident	209 Å²	209	43.4 Å²	43.4	79%	0.789	22%	0.218	S	C	*	.	S	Bend	trans	-67.1	-45.2	179.4	-178.3	-179.1	177.6	154.5	2.2	112.4
361	N	86.2	Confident	88.2	Confident	84 Å²	84	43.5 Å²	43.5	45%	0.449	22%	0.219	S	C	.	.	S	Bend	trans	-122.8	1.3	-176.8	-47.6	-72.1	0	0	0	113.4	D341 W378	D341-N361 PolarHBondContact OD2-N 2.79Å; D341-N361 VanDerWaalsContact OD2-N 3.09Å; D341-N361 PolarHBondContact OD2-ND2 3.47Å; N361-W378 CarbonylContact C-O 3.57Å; N361-W378 PolarHBondContact O-N 3.24Å
362	S	91.5	Very high	88.6	Confident	4 Å²	4	40.3 Å²	40.3	3%	0.028	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	162.8	-177.2	67.3	0	0	0	0	112.4	C359 E375 I376	C359-S362 WeakPolarHBondContact CA-O 3.41Å; C359-S362 WeakPolarHBondContact CB-O 3.31Å; C359-S362 WeakPolarHBondContact CB-OG 3.43Å; C359-S362 PolarHBondContact N-O 2.94Å; S362-E375 PolarHBondContact OG-OE1 3.25Å; S362-I376 CarbonylContact C-O 3.53Å; S362-I376 WeakPolarHBondContact CA-O 3.48Å; S362-I376 VanDerWaalsContact CB-O 3.24Å; S362-I376 WeakPolarHBondContact CB-O 3.28Å
363	L	92.6	Very high	89.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	119.8	178.6	-176.1	66	0	0	0	108.3	V356 K358 I365 E375 I376 W378 F386 I396	V356-L363 HydrophobicContact CG1-CD1 3.72Å; V356-L363 HydrophobicContact CG1-CG 4.5Å; K358-L363 HydrophobicContact CG-CD1 3.82Å; L363-I365 HydrophobicContact CD2-CD1 3.95Å; L363-I365 HydrophobicContact CD2-CG1 4.35Å; L363-I365 HydrophobicContact CG-CD1 4.17Å; L363-I365 HydrophobicContact CG-CG1 4.03Å; L363-E375 WeakPolarHBondContact O-CA 3.27Å; L363-I376 HydrophobicContact CB-CG1 4.15Å; L363-I376 PolarHBondContact N-O 2.87Å; L363-I376 PolarHBondContact O-N 3.08Å; L363-W378 HydrophobicContact CB-CB 3.55Å; L363-W378 HydrophobicContact CB-CD2 4.46Å; L363-W378 HydrophobicContact CB-CG 3.76Å; L363-W378 HydrophobicContact CD2-CB 4.47Å; L363-W378 HydrophobicContact CD2-CD2 3.81Å; L363-W378 HydrophobicContact CD2-CE3 4.45Å; L363-W378 HydrophobicContact CD2-CG 3.8Å; L363-W378 HydrophobicContact CG-CG 4.41Å; L363-F386 HydrophobicContact CD1-CZ 4.42Å; L363-F386 HydrophobicContact CD2-CE1 3.91Å; L363-F386 HydrophobicContact CD2-CZ 4.06Å; L363-I396 HydrophobicContact CD2-CD1 4.01Å
364	L	93.3	Very high	89.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.4	174.7	-67.9	84	0	0	0	108.8	L335 V356 A357 C359 F373 S374 E375	L335-L364 HydrophobicContact CB-CD2 3.93Å; L335-L364 HydrophobicContact CD1-CB 4.32Å; V356-L364 CarbonylContact C-O 3.58Å; V356-L364 WeakPolarHBondContact CA-O 3.48Å; A357-L364 HydrophobicContact CB-CB 4.19Å; A357-L364 PolarHBondContact N-O 2.91Å; A357-L364 PolarHBondContact O-N 3.04Å; C359-L364 HydrophobicContact CB-CD1 4.47Å; C359-L364 WeakPolarHBondContact SG-CD1 3.36Å; L364-F373 HydrophobicContact CD2-CD2 4.16Å; L364-F373 HydrophobicContact CD2-CE2 3.95Å; L364-S374 CarbonylContact C-O 3.57Å; L364-S374 VanDerWaalsContact CA-O 3.3Å; L364-S374 WeakPolarHBondContact CA-O 3.47Å; L364-E375 HydrophobicContact CD1-CG 3.91Å; L364-E375 HydrophobicContact CG-CB 3.96Å; L364-E375 HydrophobicContact CG-CG 3.86Å
365	I	94.1	Very high	89.7	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.4	178.8	-58	175.6	0	0	0	107.5	V355 V356 L363 F373 S374 F386 C394 I396 Y407	V355-I365 WeakPolarHBondContact O-CA 3.36Å; V356-I365 HydrophobicContact CG2-CG1 4.42Å; L363-I365 HydrophobicContact CD2-CD1 3.95Å; L363-I365 HydrophobicContact CD2-CG1 4.35Å; L363-I365 HydrophobicContact CG-CD1 4.17Å; L363-I365 HydrophobicContact CG-CG1 4.03Å; I365-F373 CarbonylContact O-C 3.58Å; I365-F373 VanDerWaalsContact O-CA 3.31Å; I365-F373 WeakPolarHBondContact O-CA 3.33Å; I365-S374 PolarHBondContact N-O 3.45Å; I365-S374 PolarHBondContact O-N 2.68Å; I365-F386 HydrophobicContact CD1-CD1 4.42Å; I365-F386 HydrophobicContact CD1-CE1 4.05Å; I365-C394 HydrophobicContact CG2-CB 3.8Å; I365-I396 HydrophobicContact CD1-CD1 3.43Å; I365-I396 VanDerWaalsContact CD1-CD1 3.43Å; I365-I396 HydrophobicContact CD1-CG1 3.87Å; I365-Y407 HydrophobicContact CG2-CD1 4.45Å; I365-Y407 HydrophobicContact CG2-CE1 3.86Å
366	G	92.4	Very high	89.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	162.6	179.5	0	0	0	0	0	114.1	F354 V355 K372	F354-G366 WeakPolarHBondContact CA-O 3.37Å; V355-G366 PolarHBondContact N-O 2.94Å; V355-G366 PolarHBondContact O-N 2.87Å; G366-K372 CarbonylContact C-O 3.45Å; G366-K372 WeakPolarHBondContact CA-O 3.41Å
367	D	90.7	Very high	89.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124	-179.9	166.2	34.2	0	0	0	108.9	R353 F354 F369 S370 G371 K372 Y407	R353-D367 WeakPolarHBondContact CG-OD1 3.31Å; R353-D367 IonicContact CZ-OD1 2.81Å; R353-D367 IonicContact CZ-OD2 2.98Å; R353-D367 IonicContact NE-OD1 3.01Å; R353-D367 PolarHBondContact NE-OD1 2.91Å; R353-D367 IonicContact NE-OD2 2.68Å; R353-D367 IonicContact NH2-OD1 3.33Å; R353-D367 PolarHBondContact NH2-OD1 2.8Å; R353-D367 IonicContact NH2-OD2 3.24Å; R353-D367 PolarHBondContact NH2-OD2 3Å; F354-D367 HydrophobicContact CD1-CB 3.99Å; F354-D367 HydrophobicContact CE1-CB 4.02Å; D367-F369 VanDerWaalsContact C-N 3.26Å; D367-F369 PolarHBondContact O-N 2.94Å; D367-F369 WeakPolarHBondContact OD1-CB 3.43Å; D367-F369 PolarHBondContact OD1-N 2.79Å; D367-S370 WeakPolarHBondContact CB-OG 3.45Å; D367-S370 WeakPolarHBondContact OD2-CB 3.39Å; D367-S370 PolarHBondContact OD2-N 3.49Å; D367-S370 PolarHBondContact OD2-OG 2.95Å; D367-G371 WeakPolarHBondContact O-CA 3.49Å; D367-G371 PolarHBondContact O-N 3.37Å; D367-K372 PolarHBondContact N-O 2.79Å; D367-K372 PolarHBondContact O-N 3.13Å; D367-Y407 HydrophobicContact CB-CD1 4.2Å; D367-Y407 HydrophobicContact CB-CD2 4.21Å; D367-Y407 HydrophobicContact CB-CE1 4.21Å; D367-Y407 HydrophobicContact CB-CE2 4.27Å; D367-Y407 HydrophobicContact CB-CG 4.21Å
368	M	86.9	Confident	89.9	Confident	7 Å²	7	41.5 Å²	41.5	3%	0.034	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-22.6	179.9	-66.7	-175.2	52.2	0	0	112.8	V324 N326 E331 L333 R353 V355	V324-M368 HydrophobicContact CG1-CE 4.12Å; V324-M368 HydrophobicContact CG1-SD 3.73Å; N326-M368 HydrophobicContact CB-CE 3.89Å; E331-M368 HydrophobicContact CB-CB 4.37Å; E331-M368 HydrophobicContact CB-CE 4.25Å; L333-M368 HydrophobicContact CB-CG 3.93Å; L333-M368 HydrophobicContact CD2-CG 4.25Å; R353-M368 VanDerWaalsContact O-CB 3.25Å; R353-M368 WeakPolarHBondContact O-CB 3.36Å; R353-M368 VanDerWaalsContact O-CG 3.31Å; R353-M368 WeakPolarHBondContact O-CG 3.35Å; R353-M368 PolarHBondContact O-N 3.42Å; V355-M368 HydrophobicContact CG2-CG 3.76Å; V355-M368 HydrophobicContact CG2-SD 3.73Å
369	F	85.6	Confident	89.7	Confident	143 Å²	143	48.4 Å²	48.4	63%	0.627	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-54.4	179.6	-175.2	-103.6	0	0	0	111.5	R353 D367 G371	R353-F369 HydrophobicContact CG-CB 4.49Å; D367-F369 VanDerWaalsContact C-N 3.26Å; D367-F369 PolarHBondContact O-N 2.94Å; D367-F369 WeakPolarHBondContact OD1-CB 3.43Å; D367-F369 PolarHBondContact OD1-N 2.79Å; F369-G371 VanDerWaalsContact C-N 3.26Å; F369-G371 PolarHBondContact O-N 3.33Å
370	S	84.6	Confident	89.3	Confident	44 Å²	44	51 Å²	51	31%	0.308	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-13.6	174.8	63.8	0	0	0	0	114.1	D367 K372	D367-S370 WeakPolarHBondContact CB-OG 3.45Å; D367-S370 WeakPolarHBondContact OD2-CB 3.39Å; D367-S370 PolarHBondContact OD2-N 3.49Å; D367-S370 PolarHBondContact OD2-OG 2.95Å; S370-K372 PolarHBondContact O-N 3.39Å
371	G	85.3	Confident	88.8	Confident	43 Å²	43	43.9 Å²	43.9	44%	0.443	24%	0.239	S	C	.	.			trans	69.1	8.8	-177.4	0	0	0	0	0	114.3	L333 D367 F369	L333-G371 WeakPolarHBondContact CD1-O 3.11Å; D367-G371 WeakPolarHBondContact O-CA 3.49Å; D367-G371 PolarHBondContact O-N 3.37Å; F369-G371 VanDerWaalsContact C-N 3.26Å; F369-G371 PolarHBondContact O-N 3.33Å
372	K	88.2	Confident	88.4	Confident	99 Å²	99	42.3 Å²	42.3	43%	0.43	24%	0.244	S	C	.	.			trans	-93.3	146.2	-177.4	-63.1	177.1	-171.3	169.5	0	110.9	G366 D367 S370 Y407	G366-K372 CarbonylContact C-O 3.45Å; G366-K372 WeakPolarHBondContact CA-O 3.41Å; D367-K372 PolarHBondContact N-O 2.79Å; D367-K372 PolarHBondContact O-N 3.13Å; S370-K372 PolarHBondContact O-N 3.39Å; K372-Y407 WeakPolarHBondContact CD-O 3.37Å
373	F	92.8	Very high	88	Confident	42 Å²	42	48.5 Å²	48.5	18%	0.184	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	160	167.2	78.9	-86.8	0	0	0	111.9	L333 T334 L335 R336 L364 I365 G408	L333-F373 HydrophobicContact CD1-CB 4.4Å; L333-F373 HydrophobicContact CD1-CD1 4.49Å; T334-F373 VanDerWaalsContact O-CE1 3.24Å; T334-F373 WeakPolarHBondContact O-CE1 3.48Å; L335-F373 HydrophobicContact CD2-CB 3.3Å; L335-F373 HydrophobicContact CD2-CD1 3.87Å; L335-F373 HydrophobicContact CD2-CD2 3.71Å; L335-F373 HydrophobicContact CD2-CE2 4.48Å; L335-F373 HydrophobicContact CD2-CG 3.35Å; R336-F373 HydrophobicContact CB-CZ 4.42Å; L364-F373 HydrophobicContact CD2-CD2 4.16Å; L364-F373 HydrophobicContact CD2-CE2 3.95Å; I365-F373 CarbonylContact O-C 3.58Å; I365-F373 VanDerWaalsContact O-CA 3.31Å; I365-F373 WeakPolarHBondContact O-CA 3.33Å; F373-G408 WeakPolarHBondContact O-CA 3.24Å; F373-G408 PolarHBondContact O-N 2.53Å
374	S	93.3	Very high	87.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.2	-178.6	-61.3	0	0	0	0	108.8	L364 I365 E406 G408 C409	L364-S374 CarbonylContact C-O 3.57Å; L364-S374 VanDerWaalsContact CA-O 3.3Å; L364-S374 WeakPolarHBondContact CA-O 3.47Å; I365-S374 PolarHBondContact N-O 3.45Å; I365-S374 PolarHBondContact O-N 2.68Å; S374-E406 PolarHBondContact OG-O 3.41Å; S374-G408 PolarHBondContact OG-N 3.26Å; S374-C409 WeakPolarHBondContact CB-O 3.29Å; S374-C409 PolarHBondContact OG-N 2.93Å; S374-C409 PolarHBondContact OG-O 2.9Å
375	E	94.2	Very high	87.7	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	108.7	168.7	-175.7	177.1	-157.8	0	0	109.5	S337 R338 Y339 S362 L363 L364 N410	S337-E375 WeakPolarHBondContact CA-OE1 3.37Å; S337-E375 WeakPolarHBondContact CA-OE2 3.31Å; S337-E375 WeakPolarHBondContact CB-OE1 3.34Å; S337-E375 PolarHBondContact OG-OE1 2.98Å; R338-E375 WeakPolarHBondContact CB-OE2 3.28Å; R338-E375 WeakPolarHBondContact CG-OE2 3.38Å; R338-E375 PolarHBondContact N-OE2 3.03Å; Y339-E375 HydrophobicContact CD2-CG 4.2Å; Y339-E375 WeakPolarHBondContact CD2-OE1 3.35Å; Y339-E375 HydrophobicContact CE2-CG 4.1Å; S362-E375 PolarHBondContact OG-OE1 3.25Å; L363-E375 WeakPolarHBondContact O-CA 3.27Å; L364-E375 HydrophobicContact CD1-CG 3.91Å; L364-E375 HydrophobicContact CG-CB 3.96Å; L364-E375 HydrophobicContact CG-CG 3.86Å; E375-N410 PolarHBondContact N-OD1 3.08Å
376	I	93.5	Very high	87.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	148.9	176.5	60.4	165.8	0	0	0	110.5	S362 L363 W378 I396 V405 P412	S362-I376 CarbonylContact C-O 3.53Å; S362-I376 WeakPolarHBondContact CA-O 3.48Å; S362-I376 VanDerWaalsContact CB-O 3.24Å; S362-I376 WeakPolarHBondContact CB-O 3.28Å; L363-I376 HydrophobicContact CB-CG1 4.15Å; L363-I376 PolarHBondContact N-O 2.87Å; L363-I376 PolarHBondContact O-N 3.08Å; I376-W378 HydrophobicContact CD1-CD2 4.37Å; I376-W378 HydrophobicContact CD1-CE3 3.5Å; I376-W378 HydrophobicContact CD1-CZ3 3.89Å; I376-W378 HydrophobicContact CG1-CE3 4.4Å; I376-I396 HydrophobicContact CD1-CD1 3.73Å; I376-V405 HydrophobicContact CD1-CG2 3.84Å; I376-V405 HydrophobicContact CG2-CG1 4.2Å; I376-V405 HydrophobicContact CG2-CG2 4.41Å; I376-P412 HydrophobicContact CB-CG 4.3Å; I376-P412 HydrophobicContact CD1-CG 4.42Å; I376-P412 HydrophobicContact CG2-CG 4.1Å
377	L	92	Very high	87.5	Confident	111 Å²	111	59.4 Å²	59.4	58%	0.581	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	133.1	165.4	-67.9	173.9	0	0	0	108.9	Y339	Y339-L377 HydrophobicContact CD2-CD2 4.36Å; Y339-L377 HydrophobicContact CE1-CD2 4.18Å; Y339-L377 HydrophobicContact CE2-CD2 3.79Å; Y339-L377 HydrophobicContact CE2-CG 4.38Å
378	W	90.3	Very high	87.5	Confident	37 Å²	37	61.1 Å²	61.1	14%	0.14	33%	0.331	C	S	.	.			trans	-147.1	132.3	-170.3	-166	-105.3	0	0	0	113	N361 L363 I376 E384 I396 N398 T403	N361-W378 CarbonylContact C-O 3.57Å; N361-W378 PolarHBondContact O-N 3.24Å; L363-W378 HydrophobicContact CB-CB 3.55Å; L363-W378 HydrophobicContact CB-CD2 4.46Å; L363-W378 HydrophobicContact CB-CG 3.76Å; L363-W378 HydrophobicContact CD2-CB 4.47Å; L363-W378 HydrophobicContact CD2-CD2 3.81Å; L363-W378 HydrophobicContact CD2-CE3 4.45Å; L363-W378 HydrophobicContact CD2-CG 3.8Å; L363-W378 HydrophobicContact CG-CG 4.41Å; I376-W378 HydrophobicContact CD1-CD2 4.37Å; I376-W378 HydrophobicContact CD1-CE3 3.5Å; I376-W378 HydrophobicContact CD1-CZ3 3.89Å; I376-W378 HydrophobicContact CG1-CE3 4.4Å; W378-E384 HydrophobicContact CZ2-CG 3.91Å; W378-E384 PolarHBondContact NE1-OE1 3.49Å; W378-I396 HydrophobicContact CE3-CD1 4.4Å; W378-I396 HydrophobicContact CH2-CB 3.85Å; W378-I396 HydrophobicContact CH2-CD1 3.91Å; W378-I396 HydrophobicContact CH2-CG2 3.57Å; W378-I396 HydrophobicContact CZ2-CB 4.28Å; W378-I396 HydrophobicContact CZ2-CD1 4.45Å; W378-I396 HydrophobicContact CZ2-CG2 3.46Å; W378-I396 VanDerWaalsContact CZ2-CG2 3.46Å; W378-I396 HydrophobicContact CZ3-CD1 3.88Å; W378-N398 HydrophobicContact CH2-CB 4.24Å; W378-N398 HydrophobicContact CZ2-CB 3.74Å; W378-T403 HydrophobicContact CZ3-CG2 4.09Å
379	Q	84.8	Confident	87.4	Confident	180 Å²	180	66 Å²	66	84%	0.841	35%	0.353	S	S	*	.			trans	-110.7	104	171.8	-66	-174.4	1.4	0	0	109.1	A381 N398	Q379-A381 PolarHBondContact O-N 3.41Å; Q379-N398 PolarHBondContact O-ND2 3Å
380	S	78.8	Confident	87.5	Confident	67 Å²	67	59.8 Å²	59.8	47%	0.469	33%	0.326	S	S	.	.			trans	-70.4	121.7	-179.4	165.3	0	0	0	0	111.1	K358 G382 E384	K358-S380 PolarHBondContact NZ-OG 3.05Å; S380-G382 PolarHBondContact OG-N 3.27Å; S380-E384 WeakPolarHBondContact CA-OE1 3.43Å; S380-E384 WeakPolarHBondContact CB-OE1 3.48Å; S380-E384 PolarHBondContact OG-OE1 3.18Å; S380-E384 VanDerWaalsContact OG-OE1 3.11Å
381	A	74.3	Confident	87.6	Confident	59 Å²	59	61.5 Å²	61.5	49%	0.488	33%	0.329	S	S	.	.			trans	-87.6	8.9	163.3	0	0	0	0	0	112.2	Q379 N383 N398 A399	Q379-A381 PolarHBondContact O-N 3.41Å; A381-N383 VanDerWaalsContact C-N 3.27Å; A381-N383 PolarHBondContact O-N 3.3Å; A381-N398 WeakPolarHBondContact CB-OD1 3.36Å; A381-A399 HydrophobicContact CB-CB 4.1Å
382	G	77	Confident	87.8	Confident	52 Å²	52	60.8 Å²	60.8	54%	0.536	32%	0.315	S	S	.	.	S	Bend	trans	82.2	-9.5	176.3	0	0	0	0	0	115.7	S380	S380-G382 PolarHBondContact OG-N 3.27Å
383	N	83.6	Confident	88	Confident	133 Å²	133	56 Å²	56	71%	0.711	30%	0.295	S	S	*	.			trans	-120.8	34.3	-173	-72.2	-45.9	0	0	0	113	A381 K385	A381-N383 VanDerWaalsContact C-N 3.27Å; A381-N383 PolarHBondContact O-N 3.3Å; N383-K385 PolarHBondContact O-N 3.25Å
384	E	89.3	Confident	88.1	Confident	24 Å²	24	54 Å²	54	11%	0.112	29%	0.286	C	S	.	.			trans	-66.9	134.5	178.5	-53	98.2	138.3	0	0	112	K358 W378 S380 F386 I396 F397 N398	K358-E384 IonicContact NZ-OE1 2.65Å; K358-E384 PolarHBondContact NZ-OE1 3.14Å; K358-E384 IonicContact NZ-OE2 2.8Å; K358-E384 PolarHBondContact NZ-OE2 2.95Å; W378-E384 HydrophobicContact CZ2-CG 3.91Å; W378-E384 PolarHBondContact NE1-OE1 3.49Å; S380-E384 WeakPolarHBondContact CA-OE1 3.43Å; S380-E384 WeakPolarHBondContact CB-OE1 3.48Å; S380-E384 PolarHBondContact OG-OE1 3.18Å; S380-E384 VanDerWaalsContact OG-OE1 3.11Å; E384-F386 HydrophobicContact CB-CE2 3.86Å; E384-F386 HydrophobicContact CB-CZ 3.89Å; E384-I396 HydrophobicContact CB-CG2 4.16Å; E384-I396 HydrophobicContact CG-CG2 4.47Å; E384-F397 WeakPolarHBondContact CA-O 3.13Å; E384-N398 HydrophobicContact CG-CB 4.04Å
385	K	90.3	Very high	88.1	Confident	123 Å²	123	54 Å²	54	54%	0.535	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.5	170.1	-63.1	-177.7	-178.1	-179.5	0	109.3	N383 Y387 I396 F397	N383-K385 PolarHBondContact O-N 3.25Å; K385-Y387 HydrophobicContact CB-CE2 3.63Å; K385-I396 WeakPolarHBondContact O-CA 3.46Å; K385-F397 HydrophobicContact CB-CB 4.48Å; K385-F397 PolarHBondContact N-O 2.86Å; K385-F397 PolarHBondContact O-N 3.16Å
386	F	91.5	Very high	88	Confident	40 Å²	40	54 Å²	54	18%	0.175	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.3	-179	-60.9	-83.5	0	0	0	110.1	L349 V356 L363 I365 E384 F388 L395 I396	L349-F386 HydrophobicContact CD1-CB 4.47Å; L349-F386 HydrophobicContact CD1-CD2 4.3Å; V356-F386 HydrophobicContact CG1-CE1 3.93Å; V356-F386 HydrophobicContact CG1-CE2 4.12Å; V356-F386 HydrophobicContact CG1-CZ 3.69Å; V356-F386 HydrophobicContact CG2-CD1 4.07Å; V356-F386 HydrophobicContact CG2-CE1 4.22Å; V356-F386 HydrophobicContact CG2-CG 4.27Å; L363-F386 HydrophobicContact CD1-CZ 4.42Å; L363-F386 HydrophobicContact CD2-CE1 3.91Å; L363-F386 HydrophobicContact CD2-CZ 4.06Å; I365-F386 HydrophobicContact CD1-CD1 4.42Å; I365-F386 HydrophobicContact CD1-CE1 4.05Å; E384-F386 HydrophobicContact CB-CE2 3.86Å; E384-F386 HydrophobicContact CB-CZ 3.89Å; F386-F388 HydrophobicContact CB-CD2 4.39Å; F386-F388 HydrophobicContact CB-CE1 4.29Å; F386-F388 HydrophobicContact CB-CE2 3.49Å; F386-F388 VanDerWaalsContact CB-CE2 3.49Å; F386-F388 HydrophobicContact CB-CZ 3.43Å; F386-F388 VanDerWaalsContact CB-CZ 3.43Å; F386-F388 HydrophobicContact CD1-CZ 4.45Å; F386-F388 HydrophobicContact CG-CZ 4.11Å; F386-L395 WeakPolarHBondContact CA-O 3.49Å; F386-I396 HydrophobicContact CD1-CG1 4.15Å; F386-I396 HydrophobicContact CD1-CG2 4.08Å; F386-I396 HydrophobicContact CE1-CB 4.45Å; F386-I396 HydrophobicContact CE1-CD1 4.49Å; F386-I396 HydrophobicContact CE1-CG1 4.07Å; F386-I396 HydrophobicContact CE1-CG2 3.7Å; F386-I396 HydrophobicContact CZ-CG2 4.23Å
387	Y	91.1	Very high	87.9	Confident	44 Å²	44	55.5 Å²	55.5	17%	0.173	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.2	176.9	-57	-99.6	0	0	0	108.4	K385 L395 F397 M421 P423	K385-Y387 HydrophobicContact CB-CE2 3.63Å; Y387-L395 PolarHBondContact N-O 3.37Å; Y387-L395 PolarHBondContact O-N 2.94Å; Y387-F397 HydrophobicContact CE2-CB 4.16Å; Y387-M421 HydrophobicContact CD1-CE 3.61Å; Y387-M421 HydrophobicContact CD1-SD 4.15Å; Y387-M421 HydrophobicContact CD2-CE 3.47Å; Y387-M421 VanDerWaalsContact CD2-CE 3.47Å; Y387-M421 HydrophobicContact CD2-SD 4.2Å; Y387-M421 HydrophobicContact CE1-CE 3.69Å; Y387-M421 HydrophobicContact CE1-SD 3.58Å; Y387-M421 VanDerWaalsContact CE1-SD 3.58Å; Y387-M421 HydrophobicContact CE2-CE 3.56Å; Y387-M421 HydrophobicContact CE2-CG 4.04Å; Y387-M421 HydrophobicContact CE2-SD 3.65Å; Y387-M421 HydrophobicContact CG-CE 3.5Å; Y387-M421 VanDerWaalsContact CG-CE 3.5Å; Y387-M421 HydrophobicContact CG-SD 4.44Å; Y387-M421 PolarHBondContact OH-SD 2.88Å; Y387-P423 HydrophobicContact CD1-CB 4.33Å; Y387-P423 HydrophobicContact CD1-CG 4.36Å; Y387-P423 HydrophobicContact CE1-CG 4.38Å
388	F	89.9	Confident	87.8	Confident	36 Å²	36	50.9 Å²	50.9	16%	0.158	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	31.6	-172	-53.7	-77.6	0	0	0	111.4	L349 F354 V356 F386 F390 C394 Y407	L349-F388 HydrophobicContact CB-CD2 4.36Å; L349-F388 HydrophobicContact CB-CE2 3.57Å; L349-F388 HydrophobicContact CB-CZ 4.05Å; L349-F388 HydrophobicContact CD1-CE2 3.74Å; L349-F388 HydrophobicContact CD1-CZ 3.83Å; L349-F388 HydrophobicContact CG-CE2 4.29Å; F354-F388 HydrophobicContact CB-CD1 3.78Å; F354-F388 HydrophobicContact CB-CE1 3.71Å; F354-F388 HydrophobicContact CB-CG 4.21Å; F354-F388 HydrophobicContact CB-CZ 4.1Å; F354-F388 HydrophobicContact CD1-CB 4.5Å; F354-F388 AromaticContact CD1-CD1 3.86Å; F354-F388 HydrophobicContact CD1-CD1 3.86Å; F354-F388 HydrophobicContact CD1-CE1 4.45Å; F354-F388 HydrophobicContact CD1-CG 4.42Å; F354-F388 HydrophobicContact CD2-CB 3.57Å; F354-F388 AromaticContact CD2-CD1 3.91Å; F354-F388 HydrophobicContact CD2-CD1 3.91Å; F354-F388 HydrophobicContact CD2-CD2 4.25Å; F354-F388 AromaticContact CD2-CG 3.67Å; F354-F388 HydrophobicContact CD2-CG 3.67Å; F354-F388 HydrophobicContact CE1-CB 4.41Å; F354-F388 HydrophobicContact CE1-CD1 4.43Å; F354-F388 HydrophobicContact CE2-CB 3.47Å; F354-F388 VanDerWaalsContact CE2-CB 3.47Å; F354-F388 HydrophobicContact CE2-CD1 4.47Å; F354-F388 HydrophobicContact CE2-CG 4.1Å; F354-F388 HydrophobicContact CG-CB 4.1Å; F354-F388 AromaticContact CG-CD1 3.55Å; F354-F388 HydrophobicContact CG-CD1 3.55Å; F354-F388 HydrophobicContact CG-CE1 4.03Å; F354-F388 AromaticContact CG-CG 3.83Å; F354-F388 HydrophobicContact CG-CG 3.83Å; F354-F388 HydrophobicContact CZ-CB 3.9Å; V356-F388 HydrophobicContact CG2-CE1 4.28Å; V356-F388 HydrophobicContact CG2-CZ 3.78Å; F386-F388 HydrophobicContact CB-CD2 4.39Å; F386-F388 HydrophobicContact CB-CE1 4.29Å; F386-F388 HydrophobicContact CB-CE2 3.49Å; F386-F388 VanDerWaalsContact CB-CE2 3.49Å; F386-F388 HydrophobicContact CB-CZ 3.43Å; F386-F388 VanDerWaalsContact CB-CZ 3.43Å; F386-F388 HydrophobicContact CD1-CZ 4.45Å; F386-F388 HydrophobicContact CG-CZ 4.11Å; F388-F390 PolarHBondContact O-N 3.36Å; F388-C394 HydrophobicContact CD1-CB 4.31Å; F388-C394 HydrophobicContact CE1-CB 4.31Å; F388-C394 WeakPolarHBondContact CE1-SG 3.37Å; F388-Y407 WeakPolarHBondContact CD1-OH 3.5Å
389	E	84.7	Confident	87.7	Confident	109 Å²	109	53.2 Å²	53.2	51%	0.509	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-5.5	-176.6	-64	175.9	-146.2	0	0	113.1	P423	E389-P423 VanDerWaalsContact OE1-CB 3.24Å; E389-P423 WeakPolarHBondContact OE1-CB 3.24Å; E389-P423 WeakPolarHBondContact OE1-CG 3.43Å; E389-P423 WeakPolarHBondContact OE2-CB 3.48Å
390	F	88.3	Confident	87.7	Confident	13 Å²	13	45.6 Å²	45.6	6%	0.057	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.6	-176.4	-54.7	-73.5	0	0	0	110	F388 N392 A393 L395 I426 V428	F388-F390 PolarHBondContact O-N 3.36Å; F390-N392 PolarHBondContact O-N 2.88Å; F390-A393 HydrophobicContact CB-CB 3.93Å; F390-A393 PolarHBondContact O-N 3.06Å; F390-L395 HydrophobicContact CD2-CD1 4.16Å; F390-L395 HydrophobicContact CD2-CD2 4.23Å; F390-L395 HydrophobicContact CD2-CG 4Å; F390-L395 HydrophobicContact CE2-CD1 3.57Å; F390-L395 HydrophobicContact CE2-CD2 4.36Å; F390-L395 HydrophobicContact CE2-CG 3.94Å; F390-I426 HydrophobicContact CZ-CG2 4.41Å; F390-V428 HydrophobicContact CD1-CB 3.92Å; F390-V428 WeakPolarHBondContact CD1-O 3.28Å; F390-V428 HydrophobicContact CD2-CB 4.24Å; F390-V428 HydrophobicContact CE1-CB 4.14Å; F390-V428 VanDerWaalsContact CE1-N 3.25Å; F390-V428 HydrophobicContact CE2-CB 4.46Å; F390-V428 HydrophobicContact CG-CB 3.98Å; F390-V428 HydrophobicContact CZ-CB 4.4Å
391	E	86.2	Confident	88.2	Confident	80 Å²	80	47.2 Å²	47.2	37%	0.374	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-45.8	-167.5	-177.2	58.8	-158.6	0	0	112.8	R353 Y407 E432	R353-E391 IonicContact CZ-OE1 3.36Å; R353-E391 IonicContact CZ-OE2 3.23Å; R353-E391 IonicContact NH1-OE1 3Å; R353-E391 PolarHBondContact NH1-OE1 3.17Å; R353-E391 IonicContact NH1-OE2 3.89Å; R353-E391 PolarHBondContact NH1-OE2 2.87Å; R353-E391 VanDerWaalsContact NH2-CD 3.29Å; R353-E391 IonicContact NH2-OE1 2.94Å; R353-E391 PolarHBondContact NH2-OE1 3.43Å; R353-E391 IonicContact NH2-OE2 2.8Å; R353-E391 PolarHBondContact NH2-OE2 3.08Å; E391-Y407 WeakPolarHBondContact O-CE2 3.31Å; E391-E432 HydrophobicContact CB-CG 4.47Å
392	N	90.5	Very high	89.1	Confident	27 Å²	27	44.4 Å²	44.4	14%	0.144	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	6.7	-178.2	-74.2	-48	0	0	0	113.9	F390 E406 Y407 I430	F390-N392 PolarHBondContact O-N 2.88Å; N392-E406 WeakPolarHBondContact O-CA 3.36Å; N392-Y407 WeakPolarHBondContact O-CD2 3.21Å; N392-Y407 PolarHBondContact O-N 3.35Å; N392-Y407 VanDerWaalsContact O-N 3.14Å; N392-I430 HydrophobicContact CB-CB 4.19Å; N392-I430 HydrophobicContact CB-CG2 4.25Å; N392-I430 VanDerWaalsContact CB-O 3.25Å; N392-I430 WeakPolarHBondContact CB-O 3.44Å; N392-I430 PolarHBondContact ND2-O 2.88Å
393	A	92.6	Very high	89.8	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	143.7	-170.4	0	0	0	0	0	114.7	F390 V405 V428 I430	F390-A393 HydrophobicContact CB-CB 3.93Å; F390-A393 PolarHBondContact O-N 3.06Å; A393-V405 CarbonylContact C-O 3.57Å; A393-V405 WeakPolarHBondContact CA-O 3.49Å; A393-V428 HydrophobicContact CB-CG1 4.09Å; A393-I430 HydrophobicContact CB-CD1 3.79Å
394	C	93	Very high	90.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.7	163	-175.9	0	0	0	0	109.7	I365 F388 V405 Y407	I365-C394 HydrophobicContact CG2-CB 3.8Å; F388-C394 HydrophobicContact CD1-CB 4.31Å; F388-C394 HydrophobicContact CE1-CB 4.31Å; F388-C394 WeakPolarHBondContact CE1-SG 3.37Å; C394-V405 PolarHBondContact N-O 2.92Å; C394-V405 PolarHBondContact O-N 2.97Å; C394-Y407 HydrophobicContact CB-CE1 4.22Å
395	L	93.3	Very high	90.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.1	165.4	-41.7	-175.7	0	0	0	109.8	F386 Y387 F390 L402 T403 V404 M421 I426 V428	F386-L395 WeakPolarHBondContact CA-O 3.49Å; Y387-L395 PolarHBondContact N-O 3.37Å; Y387-L395 PolarHBondContact O-N 2.94Å; F390-L395 HydrophobicContact CD2-CD1 4.16Å; F390-L395 HydrophobicContact CD2-CD2 4.23Å; F390-L395 HydrophobicContact CD2-CG 4Å; F390-L395 HydrophobicContact CE2-CD1 3.57Å; F390-L395 HydrophobicContact CE2-CD2 4.36Å; F390-L395 HydrophobicContact CE2-CG 3.94Å; L395-L402 HydrophobicContact CB-CD1 3.96Å; L395-L402 HydrophobicContact CD1-CD1 4.48Å; L395-T403 WeakPolarHBondContact CA-O 3.15Å; L395-V404 HydrophobicContact CD2-CB 4.34Å; L395-V404 HydrophobicContact CD2-CG1 3.96Å; L395-V404 HydrophobicContact CD2-CG2 3.91Å; L395-M421 HydrophobicContact CD1-CE 4.15Å; L395-I426 HydrophobicContact CD1-CD1 4.49Å; L395-I426 HydrophobicContact CD1-CG2 3.95Å; L395-V428 HydrophobicContact CD2-CG2 4.03Å
396	I	93.4	Very high	90.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.4	176.2	-39.1	164.5	0	0	0	108	L363 I365 I376 W378 E384 K385 F386 L402 T403 V405	L363-I396 HydrophobicContact CD2-CD1 4.01Å; I365-I396 HydrophobicContact CD1-CD1 3.43Å; I365-I396 VanDerWaalsContact CD1-CD1 3.43Å; I365-I396 HydrophobicContact CD1-CG1 3.87Å; I376-I396 HydrophobicContact CD1-CD1 3.73Å; W378-I396 HydrophobicContact CE3-CD1 4.4Å; W378-I396 HydrophobicContact CH2-CB 3.85Å; W378-I396 HydrophobicContact CH2-CD1 3.91Å; W378-I396 HydrophobicContact CH2-CG2 3.57Å; W378-I396 HydrophobicContact CZ2-CB 4.28Å; W378-I396 HydrophobicContact CZ2-CD1 4.45Å; W378-I396 HydrophobicContact CZ2-CG2 3.46Å; W378-I396 VanDerWaalsContact CZ2-CG2 3.46Å; W378-I396 HydrophobicContact CZ3-CD1 3.88Å; E384-I396 HydrophobicContact CB-CG2 4.16Å; E384-I396 HydrophobicContact CG-CG2 4.47Å; K385-I396 WeakPolarHBondContact O-CA 3.46Å; F386-I396 HydrophobicContact CD1-CG1 4.15Å; F386-I396 HydrophobicContact CD1-CG2 4.08Å; F386-I396 HydrophobicContact CE1-CB 4.45Å; F386-I396 HydrophobicContact CE1-CD1 4.49Å; F386-I396 HydrophobicContact CE1-CG1 4.07Å; F386-I396 HydrophobicContact CE1-CG2 3.7Å; F386-I396 HydrophobicContact CZ-CG2 4.23Å; I396-L402 WeakPolarHBondContact O-CA 3.5Å; I396-T403 PolarHBondContact N-O 2.98Å; I396-T403 PolarHBondContact O-N 2.87Å; I396-V405 HydrophobicContact CD1-CG2 3.74Å; I396-V405 HydrophobicContact CG1-CG2 4.41Å
397	F	91.5	Very high	90.8	Very high	30 Å²	30	28.9 Å²	28.9	13%	0.132	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.5	171.7	-174.7	-106.7	0	0	0	110.2	E384 K385 Y387 E401 L402 M418 M421	E384-F397 WeakPolarHBondContact CA-O 3.13Å; K385-F397 HydrophobicContact CB-CB 4.48Å; K385-F397 PolarHBondContact N-O 2.86Å; K385-F397 PolarHBondContact O-N 3.16Å; Y387-F397 HydrophobicContact CE2-CB 4.16Å; F397-E401 WeakPolarHBondContact CA-O 3.43Å; F397-E401 VanDerWaalsContact CD2-O 3.29Å; F397-E401 WeakPolarHBondContact CD2-O 3.02Å; F397-L402 HydrophobicContact CB-CD1 4.13Å; F397-L402 HydrophobicContact CD2-CB 4.32Å; F397-L402 HydrophobicContact CD2-CD1 4.36Å; F397-M418 HydrophobicContact CE2-CB 4.3Å; F397-M418 WeakPolarHBondContact CE2-O 3.19Å; F397-M421 HydrophobicContact CB-CB 4.23Å; F397-M421 HydrophobicContact CB-CG 3.98Å; F397-M421 HydrophobicContact CD1-CB 3.9Å; F397-M421 HydrophobicContact CD2-CB 3.75Å; F397-M421 HydrophobicContact CD2-CG 4.08Å; F397-M421 HydrophobicContact CE1-CB 4.15Å; F397-M421 HydrophobicContact CE2-CB 4.01Å; F397-M421 HydrophobicContact CG-CB 3.68Å; F397-M421 HydrophobicContact CG-CG 3.96Å; F397-M421 HydrophobicContact CZ-CB 4.19Å
398	N	90	Very high	90.8	Very high	15 Å²	15	28.7 Å²	28.7	8%	0.08	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	132.3	-177.5	-178	34.1	0	0	0	109.6	W378 Q379 A381 E384 G400 E401	W378-N398 HydrophobicContact CH2-CB 4.24Å; W378-N398 HydrophobicContact CZ2-CB 3.74Å; Q379-N398 PolarHBondContact O-ND2 3Å; A381-N398 WeakPolarHBondContact CB-OD1 3.36Å; E384-N398 HydrophobicContact CG-CB 4.04Å; N398-G400 PolarHBondContact O-N 3.04Å; N398-E401 PolarHBondContact N-O 2.81Å; N398-E401 PolarHBondContact O-N 3.03Å
399	A	86.7	Confident	90.8	Very high	85 Å²	85	28.7 Å²	28.7	70%	0.702	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	24.4	174.3	0	0	0	0	0	117.7	A381	A381-A399 HydrophobicContact CB-CB 4.1Å
400	G	85.8	Confident	91.2	Very high	21 Å²	21	25.2 Å²	25.2	22%	0.216	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	11.2	-176.3	0	0	0	0	0	114.4	N398 M418	N398-G400 PolarHBondContact O-N 3.04Å; G400-M418 CarbonylContact C-O 3.52Å; G400-M418 CarbonylContact O-C 3.55Å; G400-M418 PolarHBondContact O-N 2.95Å; G400-M418 VanDerWaalsContact O-O 3.05Å
401	E	90.2	Very high	91.2	Very high	100 Å²	100	31.5 Å²	31.5	47%	0.467	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.3	174.2	-62.6	-174.3	163.6	0	0	110.1	F397 N398 L416	F397-E401 WeakPolarHBondContact CA-O 3.43Å; F397-E401 VanDerWaalsContact CD2-O 3.29Å; F397-E401 WeakPolarHBondContact CD2-O 3.02Å; N398-E401 PolarHBondContact N-O 2.81Å; N398-E401 PolarHBondContact O-N 3.03Å; E401-L416 CarbonylContact C-O 3.57Å; E401-L416 WeakPolarHBondContact CA-O 3.4Å
402	L	91.4	Very high	91.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.7	176.8	-176.5	72.6	0	0	0	108.7	L395 I396 F397 C415 L416 M418 M421 I426 M444	L395-L402 HydrophobicContact CB-CD1 3.96Å; L395-L402 HydrophobicContact CD1-CD1 4.48Å; I396-L402 WeakPolarHBondContact O-CA 3.5Å; F397-L402 HydrophobicContact CB-CD1 4.13Å; F397-L402 HydrophobicContact CD2-CB 4.32Å; F397-L402 HydrophobicContact CD2-CD1 4.36Å; L402-C415 CarbonylContact O-C 3.57Å; L402-C415 WeakPolarHBondContact O-CA 3.42Å; L402-L416 PolarHBondContact N-O 2.96Å; L402-L416 PolarHBondContact O-N 3.06Å; L402-M418 HydrophobicContact CB-CG 4.37Å; L402-M418 HydrophobicContact CB-SD 4.02Å; L402-M418 HydrophobicContact CD2-SD 3.51Å; L402-M418 VanDerWaalsContact CD2-SD 3.51Å; L402-M418 HydrophobicContact CG-SD 4.39Å; L402-M421 HydrophobicContact CD1-CG 4.25Å; L402-I426 HydrophobicContact CD2-CD1 3.64Å; L402-M444 HydrophobicContact CD2-CE 3.73Å
403	T	93.5	Very high	91.5	Very high	9 Å²	9	32.2 Å²	32.2	6%	0.055	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.9	177.4	-53.5	0	0	0	0	110.1	W378 L395 I396 V405 P412 I414	W378-T403 HydrophobicContact CZ3-CG2 4.09Å; L395-T403 WeakPolarHBondContact CA-O 3.15Å; I396-T403 PolarHBondContact N-O 2.98Å; I396-T403 PolarHBondContact O-N 2.87Å; T403-V405 HydrophobicContact CG2-CG2 4.25Å; T403-P412 HydrophobicContact CG2-CB 3.65Å; T403-P412 HydrophobicContact CG2-CG 4.15Å; T403-I414 WeakPolarHBondContact CA-O 3.38Å
404	V	93.9	Very high	91.4	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.024	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.9	175.5	-171.3	0	0	0	0	109.7	L395 L413 I414 V428 I430 M444	L395-V404 HydrophobicContact CD2-CB 4.34Å; L395-V404 HydrophobicContact CD2-CG1 3.96Å; L395-V404 HydrophobicContact CD2-CG2 3.91Å; V404-L413 PolarHBondContact O-N 3.44Å; V404-I414 HydrophobicContact CB-CG2 3.91Å; V404-I414 HydrophobicContact CG2-CG2 3.52Å; V404-I414 PolarHBondContact N-O 3.47Å; V404-V428 HydrophobicContact CG1-CG1 4.32Å; V404-I430 HydrophobicContact CG1-CD1 4.26Å; V404-M444 HydrophobicContact CG2-CE 4.39Å; V404-M444 HydrophobicContact CG2-SD 3.91Å
405	V	94.4	Very high	91.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.1	-179.3	-175	0	0	0	0	109.8	I376 A393 C394 I396 T403	I376-V405 HydrophobicContact CD1-CG2 3.84Å; I376-V405 HydrophobicContact CG2-CG1 4.2Å; I376-V405 HydrophobicContact CG2-CG2 4.41Å; A393-V405 CarbonylContact C-O 3.57Å; A393-V405 WeakPolarHBondContact CA-O 3.49Å; C394-V405 PolarHBondContact N-O 2.92Å; C394-V405 PolarHBondContact O-N 2.97Å; I396-V405 HydrophobicContact CD1-CG2 3.74Å; I396-V405 HydrophobicContact CG1-CG2 4.41Å; T403-V405 HydrophobicContact CG2-CG2 4.25Å
406	E	94.3	Very high	91.1	Very high	28 Å²	28	41.1 Å²	41.1	13%	0.131	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.8	170.6	170.1	177	-152.5	0	0	110.1	S374 N392 G408 C409 L413 I430 N431 K442	S374-E406 PolarHBondContact OG-O 3.41Å; N392-E406 WeakPolarHBondContact O-CA 3.36Å; E406-G408 PolarHBondContact O-N 2.88Å; E406-C409 HydrophobicContact CB-CB 3.95Å; E406-C409 HydrophobicContact CG-CB 4.2Å; E406-C409 WeakPolarHBondContact O-CB 3.49Å; E406-C409 PolarHBondContact O-N 3.17Å; E406-L413 HydrophobicContact CB-CD1 3.7Å; E406-L413 HydrophobicContact CB-CG 4.13Å; E406-I430 HydrophobicContact CB-CD1 4.42Å; E406-I430 HydrophobicContact CB-CG2 4.3Å; E406-I430 HydrophobicContact CG-CG2 3.84Å; E406-I430 VanDerWaalsContact OE1-CG2 3.26Å; E406-I430 WeakPolarHBondContact OE1-CG2 3.47Å; E406-N431 PolarHBondContact OE1-ND2 2.91Å; E406-K442 IonicContact OE1-NZ 2.89Å; E406-K442 WeakPolarHBondContact OE2-CE 3.18Å; E406-K442 IonicContact OE2-NZ 2.68Å; E406-K442 PolarHBondContact OE2-NZ 2.89Å
407	Y	92.4	Very high	90.8	Very high	6 Å²	6	49.4 Å²	49.4	2%	0.024	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	122.8	178.9	-58.8	-68.9	0	0	0	111.3	F354 I365 D367 K372 F388 E391 N392 C394	F354-Y407 HydrophobicContact CD1-CE1 4.25Å; F354-Y407 AromaticContact CD1-CZ 3.77Å; F354-Y407 WeakPolarHBondContact CD1-OH 3.41Å; F354-Y407 HydrophobicContact CE1-CE2 4.08Å; F354-Y407 AromaticContact CE1-CZ 3.74Å; F354-Y407 WeakPolarHBondContact CE1-OH 3.16Å; I365-Y407 HydrophobicContact CG2-CD1 4.45Å; I365-Y407 HydrophobicContact CG2-CE1 3.86Å; D367-Y407 HydrophobicContact CB-CD1 4.2Å; D367-Y407 HydrophobicContact CB-CD2 4.21Å; D367-Y407 HydrophobicContact CB-CE1 4.21Å; D367-Y407 HydrophobicContact CB-CE2 4.27Å; D367-Y407 HydrophobicContact CB-CG 4.21Å; K372-Y407 WeakPolarHBondContact CD-O 3.37Å; F388-Y407 WeakPolarHBondContact CD1-OH 3.5Å; E391-Y407 WeakPolarHBondContact O-CE2 3.31Å; N392-Y407 WeakPolarHBondContact O-CD2 3.21Å; N392-Y407 PolarHBondContact O-N 3.35Å; N392-Y407 VanDerWaalsContact O-N 3.14Å; C394-Y407 HydrophobicContact CB-CE1 4.22Å
408	G	90.5	Very high	90.3	Very high	40 Å²	40	49.5 Å²	49.5	41%	0.412	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	-16.3	-173.2	0	0	0	0	0	114.1	F373 S374 E406 N410	F373-G408 WeakPolarHBondContact O-CA 3.24Å; F373-G408 PolarHBondContact O-N 2.53Å; S374-G408 PolarHBondContact OG-N 3.26Å; E406-G408 PolarHBondContact O-N 2.88Å; G408-N410 PolarHBondContact O-ND2 2.52Å
409	C	90.9	Very high	89.6	Confident	36 Å²	36	56.1 Å²	56.1	24%	0.243	32%	0.318	C	S	.	.			trans	-93.9	120.9	174.8	-166.1	0	0	0	0	110.9	S374 E406 E411	S374-C409 WeakPolarHBondContact CB-O 3.29Å; S374-C409 PolarHBondContact OG-N 2.93Å; S374-C409 PolarHBondContact OG-O 2.9Å; E406-C409 HydrophobicContact CB-CB 3.95Å; E406-C409 HydrophobicContact CG-CB 4.2Å; E406-C409 WeakPolarHBondContact O-CB 3.49Å; E406-C409 PolarHBondContact O-N 3.17Å; C409-E411 VanDerWaalsContact C-N 3.25Å; C409-E411 PolarHBondContact O-N 2.61Å
410	N	91.5	Very high	89.2	Confident	35 Å²	35	57.5 Å²	57.5	19%	0.187	32%	0.317	C	S	.	.	S	Bend	trans	-91.2	10.7	-173.1	-57.7	-92.4	0	0	0	112.6	R338 E375 G408	R338-N410 VanDerWaalsContact CZ-CG 3.41Å; R338-N410 VanDerWaalsContact CZ-ND2 3.34Å; R338-N410 VanDerWaalsContact CZ-OD1 3.3Å; R338-N410 PolarHBondContact NE-OD1 3.05Å; R338-N410 PolarHBondContact NH1-ND2 3.12Å; R338-N410 PolarHBondContact NH2-ND2 3.26Å; R338-N410 PolarHBondContact NH2-OD1 3.46Å; E375-N410 PolarHBondContact N-OD1 3.08Å; G408-N410 PolarHBondContact O-ND2 2.52Å
411	E	90.3	Very high	88.9	Confident	146 Å²	146	57.9 Å²	57.9	68%	0.682	31%	0.314	S	S	*	.	S	Bend	trans	-121.2	136.6	174.1	-65.9	-178.4	173.8	0	0	107.9	C409 L413	C409-E411 VanDerWaalsContact C-N 3.25Å; C409-E411 PolarHBondContact O-N 2.61Å; E411-L413 PolarHBondContact O-N 2.98Å
412	P	90.8	Very high	88.5	Confident	61 Å²	61	56.2 Å²	56.2	40%	0.396	31%	0.308	S	S	.	.			trans	-57.4	132.1	169.4	-24.4	35.1	0	0	0	111.1	I376 T403	I376-P412 HydrophobicContact CB-CG 4.3Å; I376-P412 HydrophobicContact CD1-CG 4.42Å; I376-P412 HydrophobicContact CG2-CG 4.1Å; T403-P412 HydrophobicContact CG2-CB 3.65Å; T403-P412 HydrophobicContact CG2-CG 4.15Å
413	L	90.9	Very high	87.7	Confident	60 Å²	60	57.1 Å²	57.1	31%	0.314	31%	0.314	S	S	.	.	S	Bend	trans	-70.9	-39.4	178.8	-71.5	-176.2	0	0	0	112.1	V404 E406 E411 I430 K442	V404-L413 PolarHBondContact O-N 3.44Å; E406-L413 HydrophobicContact CB-CD1 3.7Å; E406-L413 HydrophobicContact CB-CG 4.13Å; E411-L413 PolarHBondContact O-N 2.98Å; L413-I430 HydrophobicContact CD1-CD1 3.39Å; L413-I430 HydrophobicContact CD1-CG1 4.28Å; L413-K442 HydrophobicContact CD1-CD 4.21Å; L413-K442 HydrophobicContact CD2-CD 4.13Å
414	I	90.8	Very high	86.9	Confident	75 Å²	75	62.5 Å²	62.5	39%	0.385	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	149.1	175.1	-163.6	167.5	0	0	0	109.9	T403 V404 L416 M444	T403-I414 WeakPolarHBondContact CA-O 3.38Å; V404-I414 HydrophobicContact CB-CG2 3.91Å; V404-I414 HydrophobicContact CG2-CG2 3.52Å; V404-I414 PolarHBondContact N-O 3.47Å; I414-L416 HydrophobicContact CD1-CD1 4.38Å; I414-L416 HydrophobicContact CD1-CD2 3.68Å; I414-L416 HydrophobicContact CD1-CG 4.04Å; I414-L416 HydrophobicContact CG1-CD2 3.98Å; I414-L416 HydrophobicContact CG1-CG 4.05Å; I414-L416 HydrophobicContact CG2-CG 4.46Å; I414-M444 HydrophobicContact CG2-SD 4.24Å
415	C	90.4	Very high	86.4	Confident	66 Å²	66	63.3 Å²	63.3	45%	0.446	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.5	165.9	-173.4	0	0	0	0	108.6	L402	L402-C415 CarbonylContact O-C 3.57Å; L402-C415 WeakPolarHBondContact O-CA 3.42Å
416	L	88.8	Confident	86.1	Confident	47 Å²	47	63.6 Å²	63.6	25%	0.246	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.6	-175.7	-66.9	176.9	0	0	0	110.7	E401 L402 I414 M418 M444	E401-L416 CarbonylContact C-O 3.57Å; E401-L416 WeakPolarHBondContact CA-O 3.4Å; L402-L416 PolarHBondContact N-O 2.96Å; L402-L416 PolarHBondContact O-N 3.06Å; I414-L416 HydrophobicContact CD1-CD1 4.38Å; I414-L416 HydrophobicContact CD1-CD2 3.68Å; I414-L416 HydrophobicContact CD1-CG 4.04Å; I414-L416 HydrophobicContact CG1-CD2 3.98Å; I414-L416 HydrophobicContact CG1-CG 4.05Å; I414-L416 HydrophobicContact CG2-CG 4.46Å; L416-M418 PolarHBondContact O-N 3.12Å; L416-M444 HydrophobicContact CD1-CE 3.79Å; L416-M444 HydrophobicContact CD1-SD 3.7Å
417	K	87.6	Confident	85.8	Confident	174 Å²	174	62.4 Å²	62.4	76%	0.757	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	121.8	173.5	-170	168.9	-174.6	167.1	0	110.5
418	M	81.6	Confident	85.8	Confident	32 Å²	32	62.2 Å²	62.2	16%	0.158	34%	0.339	C	S	.	.			trans	-137.4	121.8	-179	-65.4	-168.7	73	0	0	111.1	F397 G400 L402 L416 T420 I426	F397-M418 HydrophobicContact CE2-CB 4.3Å; F397-M418 WeakPolarHBondContact CE2-O 3.19Å; G400-M418 CarbonylContact C-O 3.52Å; G400-M418 CarbonylContact O-C 3.55Å; G400-M418 PolarHBondContact O-N 2.95Å; G400-M418 VanDerWaalsContact O-O 3.05Å; L402-M418 HydrophobicContact CB-CG 4.37Å; L402-M418 HydrophobicContact CB-SD 4.02Å; L402-M418 HydrophobicContact CD2-SD 3.51Å; L402-M418 VanDerWaalsContact CD2-SD 3.51Å; L402-M418 HydrophobicContact CG-SD 4.39Å; L416-M418 PolarHBondContact O-N 3.12Å; M418-T420 VanDerWaalsContact C-N 3.28Å; M418-T420 PolarHBondContact O-N 3.36Å; M418-I426 HydrophobicContact CE-CD1 4.21Å; M418-I426 HydrophobicContact SD-CD1 4.24Å
419	N	75.9	Confident	85.7	Confident	154 Å²	154	62.3 Å²	62.3	82%	0.824	33%	0.327	S	S	*	.	S	Bend	trans	-65.5	-32.1	-179.4	-66	-15	0	0	0	112.7
420	T	78	Confident	85.6	Confident	113 Å²	113	60.8 Å²	60.8	69%	0.693	32%	0.316	S	S	*	.	S	Bend	trans	-139.7	141	177	49.8	0	0	0	0	109.3	M418	M418-T420 VanDerWaalsContact C-N 3.28Å; M418-T420 PolarHBondContact O-N 3.36Å
421	M	79.5	Confident	85.2	Confident	29 Å²	29	61.1 Å²	61.1	14%	0.143	32%	0.318	C	S	.	.			trans	-100.7	125.9	173	-165.2	-70.6	178.1	0	0	108.9	Y387 L395 F397 L402 P423 I426	Y387-M421 HydrophobicContact CD1-CE 3.61Å; Y387-M421 HydrophobicContact CD1-SD 4.15Å; Y387-M421 HydrophobicContact CD2-CE 3.47Å; Y387-M421 VanDerWaalsContact CD2-CE 3.47Å; Y387-M421 HydrophobicContact CD2-SD 4.2Å; Y387-M421 HydrophobicContact CE1-CE 3.69Å; Y387-M421 HydrophobicContact CE1-SD 3.58Å; Y387-M421 VanDerWaalsContact CE1-SD 3.58Å; Y387-M421 HydrophobicContact CE2-CE 3.56Å; Y387-M421 HydrophobicContact CE2-CG 4.04Å; Y387-M421 HydrophobicContact CE2-SD 3.65Å; Y387-M421 HydrophobicContact CG-CE 3.5Å; Y387-M421 VanDerWaalsContact CG-CE 3.5Å; Y387-M421 HydrophobicContact CG-SD 4.44Å; Y387-M421 PolarHBondContact OH-SD 2.88Å; L395-M421 HydrophobicContact CD1-CE 4.15Å; F397-M421 HydrophobicContact CB-CB 4.23Å; F397-M421 HydrophobicContact CB-CG 3.98Å; F397-M421 HydrophobicContact CD1-CB 3.9Å; F397-M421 HydrophobicContact CD2-CB 3.75Å; F397-M421 HydrophobicContact CD2-CG 4.08Å; F397-M421 HydrophobicContact CE1-CB 4.15Å; F397-M421 HydrophobicContact CE2-CB 4.01Å; F397-M421 HydrophobicContact CG-CB 3.68Å; F397-M421 HydrophobicContact CG-CG 3.96Å; F397-M421 HydrophobicContact CZ-CB 4.19Å; L402-M421 HydrophobicContact CD1-CG 4.25Å; M421-P423 HydrophobicContact CE-CB 4Å; M421-I426 HydrophobicContact CE-CD1 4.13Å
422	N	80.5	Confident	84.7	Confident	65 Å²	65	56.3 Å²	56.3	35%	0.348	30%	0.295	S	S	.	.			trans	-137.5	118.4	167.2	170.5	8.4	0	0	0	107	H424 V425	N422-H424 VanDerWaalsContact C-N 3.26Å; N422-H424 PolarHBondContact O-N 2.71Å; N422-H424 PolarHBondContact OD1-CD2 3.24Å; N422-H424 PolarHBondContact OD1-N 3.15Å; N422-H424 VanDerWaalsContact OD1-N 3.12Å; N422-V425 HydrophobicContact CB-CG2 3.98Å; N422-V425 VanDerWaalsContact O-CG2 3.24Å; N422-V425 WeakPolarHBondContact O-CG2 3.49Å; N422-V425 PolarHBondContact O-N 3.25Å
423	P	74.7	Confident	84	Confident	19 Å²	19	54 Å²	54	12%	0.123	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-64.4	-32	-175.9	24.6	-32.2	0	0	0	112.1	Y387 E389 M421 V425 I426	Y387-P423 HydrophobicContact CD1-CB 4.33Å; Y387-P423 HydrophobicContact CD1-CG 4.36Å; Y387-P423 HydrophobicContact CE1-CG 4.38Å; E389-P423 VanDerWaalsContact OE1-CB 3.24Å; E389-P423 WeakPolarHBondContact OE1-CB 3.24Å; E389-P423 WeakPolarHBondContact OE1-CG 3.43Å; E389-P423 WeakPolarHBondContact OE2-CB 3.48Å; M421-P423 HydrophobicContact CE-CB 4Å; P423-V425 PolarHBondContact O-N 3.41Å; P423-V425 VanDerWaalsContact O-N 3.07Å; P423-I426 PolarHBondContact O-N 2.83Å
424	H	77	Confident	82.8	Confident	123 Å²	123	55.8 Å²	55.8	57%	0.569	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-68.7	-9	-177.6	-52.8	-50.3	0	0	0	114.9	N422 L452 I453	N422-H424 VanDerWaalsContact C-N 3.26Å; N422-H424 PolarHBondContact O-N 2.71Å; N422-H424 PolarHBondContact OD1-CD2 3.24Å; N422-H424 PolarHBondContact OD1-N 3.15Å; N422-H424 VanDerWaalsContact OD1-N 3.12Å; H424-L452 WeakPolarHBondContact O-CA 3.46Å; H424-I453 PolarHBondContact O-N 3.17Å
425	V	83.4	Confident	81.3	Confident	21 Å²	21	52.8 Å²	52.8	13%	0.127	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-106	14.5	172.3	-57.6	0	0	0	0	112.5	N422 P423 Y446 A447 P450 I453	N422-V425 HydrophobicContact CB-CG2 3.98Å; N422-V425 VanDerWaalsContact O-CG2 3.24Å; N422-V425 WeakPolarHBondContact O-CG2 3.49Å; N422-V425 PolarHBondContact O-N 3.25Å; P423-V425 PolarHBondContact O-N 3.41Å; P423-V425 VanDerWaalsContact O-N 3.07Å; V425-Y446 CarbonylContact O-C 3.55Å; V425-Y446 WeakPolarHBondContact O-CA 3.28Å; V425-A447 HydrophobicContact CB-CB 3.79Å; V425-A447 HydrophobicContact CG1-CB 4.29Å; V425-A447 PolarHBondContact O-N 2.62Å; V425-P450 WeakPolarHBondContact CG1-O 3.4Å; V425-I453 WeakPolarHBondContact O-CG2 3.47Å
426	I	88	Confident	79.7	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.6	177.3	-65.1	159.6	0	0	0	108.3	F390 L395 L402 M418 M421 P423 V428 M444 A445	F390-I426 HydrophobicContact CZ-CG2 4.41Å; L395-I426 HydrophobicContact CD1-CD1 4.49Å; L395-I426 HydrophobicContact CD1-CG2 3.95Å; L402-I426 HydrophobicContact CD2-CD1 3.64Å; M418-I426 HydrophobicContact CE-CD1 4.21Å; M418-I426 HydrophobicContact SD-CD1 4.24Å; M421-I426 HydrophobicContact CE-CD1 4.13Å; P423-I426 PolarHBondContact O-N 2.83Å; I426-V428 HydrophobicContact CG2-CG2 4.03Å; I426-M444 HydrophobicContact CG1-CE 4.47Å; I426-M444 HydrophobicContact CG2-CE 3.68Å; I426-A445 WeakPolarHBondContact CA-O 3.42Å
427	S	89.4	Confident	78	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	126.3	168.1	-169.4	0	0	0	0	109.2	M444 A445 L455	S427-M444 CarbonylContact O-C 3.55Å; S427-M444 WeakPolarHBondContact O-CA 3.23Å; S427-A445 PolarHBondContact N-O 3Å; S427-A445 PolarHBondContact O-N 2.95Å; S427-L455 PolarHBondContact OG-N 2.96Å
428	V	90.6	Very high	76.5	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136	179.9	174.4	0	0	0	0	108.7	F390 A393 L395 V404 I426 I430 F443 M444	F390-V428 HydrophobicContact CD1-CB 3.92Å; F390-V428 WeakPolarHBondContact CD1-O 3.28Å; F390-V428 HydrophobicContact CD2-CB 4.24Å; F390-V428 HydrophobicContact CE1-CB 4.14Å; F390-V428 VanDerWaalsContact CE1-N 3.25Å; F390-V428 HydrophobicContact CE2-CB 4.46Å; F390-V428 HydrophobicContact CG-CB 3.98Å; F390-V428 HydrophobicContact CZ-CB 4.4Å; A393-V428 HydrophobicContact CB-CG1 4.09Å; L395-V428 HydrophobicContact CD2-CG2 4.03Å; V404-V428 HydrophobicContact CG1-CG1 4.32Å; I426-V428 HydrophobicContact CG2-CG2 4.03Å; V428-I430 HydrophobicContact CG1-CD1 3.68Å; V428-I430 HydrophobicContact CG1-CG1 3.87Å; V428-F443 WeakPolarHBondContact CA-O 2.89Å; V428-M444 HydrophobicContact CG2-CB 4.16Å; V428-M444 HydrophobicContact CG2-CE 4.45Å; V428-M444 HydrophobicContact CG2-CG 3.82Å; V428-M444 HydrophobicContact CG2-SD 4.25Å
429	R	88.9	Confident	75.7	Confident	43 Å²	43	56.8 Å²	56.8	16%	0.162	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	116	176	-64.3	-65.5	176.1	-137.2	-5.3	109.3	E432 F443 L455 N456 A459	R429-E432 WeakPolarHBondContact CD-OE2 3.14Å; R429-E432 IonicContact CZ-OE2 2.65Å; R429-E432 IonicContact NE-OE2 2.66Å; R429-E432 IonicContact NH1-OE1 3.06Å; R429-E432 IonicContact NH1-OE2 2.68Å; R429-E432 PolarHBondContact NH1-OE2 2.9Å; R429-F443 PolarHBondContact N-O 3.19Å; R429-F443 PolarHBondContact O-N 2.89Å; R429-L455 HydrophobicContact CG-CB 3.58Å; R429-L455 HydrophobicContact CG-CD1 4.17Å; R429-L455 PolarHBondContact NE-O 2.97Å; R429-L455 PolarHBondContact NH2-O 3.23Å; R429-N456 WeakPolarHBondContact CG-O 3.47Å; R429-A459 HydrophobicContact CB-CB 4.35Å
430	I	89	Confident	75.7	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.015	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	106.6	-176.8	-67	171	0	0	0	108.6	N392 A393 V404 E406 L413 V428 E432 I441 K442	N392-I430 HydrophobicContact CB-CB 4.19Å; N392-I430 HydrophobicContact CB-CG2 4.25Å; N392-I430 VanDerWaalsContact CB-O 3.25Å; N392-I430 WeakPolarHBondContact CB-O 3.44Å; N392-I430 PolarHBondContact ND2-O 2.88Å; A393-I430 HydrophobicContact CB-CD1 3.79Å; V404-I430 HydrophobicContact CG1-CD1 4.26Å; E406-I430 HydrophobicContact CB-CD1 4.42Å; E406-I430 HydrophobicContact CB-CG2 4.3Å; E406-I430 HydrophobicContact CG-CG2 3.84Å; E406-I430 VanDerWaalsContact OE1-CG2 3.26Å; E406-I430 WeakPolarHBondContact OE1-CG2 3.47Å; L413-I430 HydrophobicContact CD1-CD1 3.39Å; L413-I430 HydrophobicContact CD1-CG1 4.28Å; V428-I430 HydrophobicContact CG1-CD1 3.68Å; V428-I430 HydrophobicContact CG1-CG1 3.87Å; I430-E432 PolarHBondContact N-OE1 3.11Å; I430-E432 PolarHBondContact O-N 2.83Å; I430-I441 CarbonylContact C-O 3.56Å; I430-I441 VanDerWaalsContact CA-O 3.29Å; I430-I441 WeakPolarHBondContact CA-O 3.28Å; I430-K442 HydrophobicContact CG2-CG 4.44Å
431	N	83.8	Confident	75.8	Confident	43 Å²	43	50.3 Å²	50.3	23%	0.23	27%	0.271	C	S	.	.	S	Bend	trans	49.6	33.8	172.3	-60.5	-47.7	0	0	0	114.3	E406 Q440 I441	E406-N431 PolarHBondContact OE1-ND2 2.91Å; N431-Q440 WeakPolarHBondContact OD1-CA 3.48Å; N431-I441 PolarHBondContact N-O 2.87Å; N431-I441 PolarHBondContact OD1-N 3.36Å; N431-I441 PolarHBondContact OD1-O 2.84Å
432	E	79.7	Confident	76.1	Confident	44 Å²	44	52.9 Å²	52.9	21%	0.206	28%	0.281	C	S	.	.	S	Bend	trans	-76.7	-53.8	-177.7	-79.1	160.1	-133.5	0	0	111.5	E391 R429 I430 E457	E391-E432 HydrophobicContact CB-CG 4.47Å; R429-E432 WeakPolarHBondContact CD-OE2 3.14Å; R429-E432 IonicContact CZ-OE2 2.65Å; R429-E432 IonicContact NE-OE2 2.66Å; R429-E432 IonicContact NH1-OE1 3.06Å; R429-E432 IonicContact NH1-OE2 2.68Å; R429-E432 PolarHBondContact NH1-OE2 2.9Å; I430-E432 PolarHBondContact N-OE1 3.11Å; I430-E432 PolarHBondContact O-N 2.83Å; E432-E457 HydrophobicContact CB-CB 4.26Å
433	R	75.6	Confident	76.4	Confident	14 Å²	14	54.5 Å²	54.5	5%	0.053	29%	0.286	C	S	.	.	S	Bend	trans	-133	96.5	178	-173	175.9	168.1	-140	-10	111	G435 I441 E457 T458 D498 T549 E552 D553	R433-G435 PolarHBondContact O-N 2.67Å; R433-I441 WeakPolarHBondContact O-CD1 3.41Å; R433-E457 HydrophobicContact CB-CB 3.68Å; R433-T458 HydrophobicContact CB-CG2 4.09Å; R433-T458 HydrophobicContact CG-CG2 3.82Å; R433-D498 IonicContact NH1-OD1 2.79Å; R433-D498 PolarHBondContact NH1-OD1 3.04Å; R433-D498 VanDerWaalsContact NH1-OD1 3.12Å; R433-D498 IonicContact NH1-OD2 3.12Å; R433-T549 PolarHBondContact NH2-O 3.41Å; R433-E552 IonicContact NH2-OE2 3.54Å; R433-D553 IonicContact CZ-OD1 2.71Å; R433-D553 IonicContact CZ-OD2 3.41Å; R433-D553 VanDerWaalsContact NE-CG 3.26Å; R433-D553 IonicContact NE-OD1 3.92Å; R433-D553 PolarHBondContact NE-OD1 3.03Å; R433-D553 IonicContact NE-OD2 3.06Å; R433-D553 PolarHBondContact NE-OD2 3.31Å; R433-D553 IonicContact NH2-OD1 3.25Å; R433-D553 PolarHBondContact NH2-OD1 2.79Å; R433-D553 IonicContact NH2-OD2 3.78Å
434	L	66.5	Low	77.1	Confident	97 Å²	97	56 Å²	56	51%	0.508	29%	0.292	S	S	.	.			trans	-73	92.6	-177.5	-68.1	173.4	0	0	0	111.7	I441	L434-I441 HydrophobicContact CD2-CD1 4.25Å; L434-I441 HydrophobicContact CD2-CG1 4.22Å
435	G	58.8	Low	77.5	Confident	11 Å²	11	51 Å²	51	11%	0.113	27%	0.271	C	S	.	.			trans	-64.3	157.6	171.8	0	0	0	0	0	113.4	R433 Q437 V438	R433-G435 PolarHBondContact O-N 2.67Å; G435-Q437 PolarHBondContact O-N 3.06Å; G435-V438 PolarHBondContact O-N 2.61Å; G435-V438 VanDerWaalsContact O-N 3.09Å
436	I	55.8	Low	77.6	Confident	96 Å²	96	56.9 Å²	56.9	49%	0.492	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.7	-27.3	-167.3	-57.3	155.4	0	0	0	116.7	E552 K554	I436-E552 WeakPolarHBondContact CD1-O 3.43Å; I436-E552 WeakPolarHBondContact CG1-O 3.49Å; I436-K554 HydrophobicContact CD1-CD 3.95Å; I436-K554 HydrophobicContact CD1-CG 3.85Å; I436-K554 HydrophobicContact CG1-CB 4.29Å; I436-K554 HydrophobicContact CG1-CD 3.86Å; I436-K554 HydrophobicContact CG1-CG 3.84Å; I436-K554 HydrophobicContact CG2-CD 3.96Å
437	Q	53	Low	77.2	Confident	181 Å²	181	57.2 Å²	57.2	85%	0.846	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	0.2	-170.9	-66.2	-173.8	-14.5	0	0	115	G435	G435-Q437 PolarHBondContact O-N 3.06Å
438	V	56.3	Low	76.5	Confident	53 Å²	53	62.9 Å²	62.9	32%	0.321	33%	0.33	S	S	.	.			trans	-111.9	105.5	-171.5	-168.2	0	0	0	0	110.8	G435 Q440 I441	G435-V438 PolarHBondContact O-N 2.61Å; G435-V438 VanDerWaalsContact O-N 3.09Å; V438-Q440 VanDerWaalsContact C-N 3.32Å; V438-Q440 VanDerWaalsContact CG1-O 3.32Å; V438-Q440 WeakPolarHBondContact CG1-O 3.49Å; V438-Q440 PolarHBondContact O-N 3.08Å; V438-I441 HydrophobicContact CB-CG1 4.04Å; V438-I441 HydrophobicContact CG1-CG1 3.58Å
439	G	66.3	Low	75.7	Confident	74 Å²	74	67.4 Å²	67.4	76%	0.763	35%	0.354	S	S	*	.	S	Bend	trans	-65.8	-29.4	-176.5	0	0	0	0	0	114.9
440	Q	75.3	Confident	74.6	Confident	131 Å²	131	66.8 Å²	66.8	61%	0.612	36%	0.355	S	S	*	.			trans	-148.8	133.8	169.3	-66.4	-171.3	2.5	0	0	109.5	N431 V438	N431-Q440 WeakPolarHBondContact OD1-CA 3.48Å; V438-Q440 VanDerWaalsContact C-N 3.32Å; V438-Q440 VanDerWaalsContact CG1-O 3.32Å; V438-Q440 WeakPolarHBondContact CG1-O 3.49Å; V438-Q440 PolarHBondContact O-N 3.08Å
441	I	78.8	Confident	74	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.381	C	S	.	.			trans	-104.2	114.6	175.7	-66.5	172.1	0	0	0	106.8	I430 N431 R433 L434 V438 F443 A459	I430-I441 CarbonylContact C-O 3.56Å; I430-I441 VanDerWaalsContact CA-O 3.29Å; I430-I441 WeakPolarHBondContact CA-O 3.28Å; N431-I441 PolarHBondContact N-O 2.87Å; N431-I441 PolarHBondContact OD1-N 3.36Å; N431-I441 PolarHBondContact OD1-O 2.84Å; R433-I441 WeakPolarHBondContact O-CD1 3.41Å; L434-I441 HydrophobicContact CD2-CD1 4.25Å; L434-I441 HydrophobicContact CD2-CG1 4.22Å; V438-I441 HydrophobicContact CB-CG1 4.04Å; V438-I441 HydrophobicContact CG1-CG1 3.58Å; I441-F443 HydrophobicContact CG2-CD2 3.85Å; I441-F443 HydrophobicContact CG2-CE2 4.38Å; I441-A459 HydrophobicContact CG2-CB 3.88Å
442	K	87.4	Confident	73.8	Confident	83 Å²	83	72.4 Å²	72.4	36%	0.361	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	82.8	174.3	-59.9	-164.7	-171.7	-164.4	0	109.6	E406 L413 I430	E406-K442 IonicContact OE1-NZ 2.89Å; E406-K442 WeakPolarHBondContact OE2-CE 3.18Å; E406-K442 IonicContact OE2-NZ 2.68Å; E406-K442 PolarHBondContact OE2-NZ 2.89Å; L413-K442 HydrophobicContact CD1-CD 4.21Å; L413-K442 HydrophobicContact CD2-CD 4.13Å; I430-K442 HydrophobicContact CG2-CG 4.44Å
443	F	86.8	Confident	74.1	Confident	99 Å²	99	71.1 Å²	71.1	43%	0.434	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.3	-176.3	-73.4	-95.9	0	0	0	111.6	V428 R429 I441 L455 A459	V428-F443 WeakPolarHBondContact CA-O 2.89Å; R429-F443 PolarHBondContact N-O 3.19Å; R429-F443 PolarHBondContact O-N 2.89Å; I441-F443 HydrophobicContact CG2-CD2 3.85Å; I441-F443 HydrophobicContact CG2-CE2 4.38Å; F443-L455 HydrophobicContact CB-CD1 3.91Å; F443-A459 HydrophobicContact CB-CB 3.81Å; F443-A459 HydrophobicContact CD1-CB 4.47Å; F443-A459 HydrophobicContact CD2-CB 3.46Å; F443-A459 VanDerWaalsContact CD2-CB 3.46Å; F443-A459 HydrophobicContact CE2-CB 4.12Å; F443-A459 HydrophobicContact CG-CB 3.67Å
444	M	89.1	Confident	74.7	Confident	51 Å²	51	71.4 Å²	71.4	25%	0.251	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	122.5	171.2	178.7	175.1	-171.4	0	0	108.7	L402 V404 I414 L416 I426 S427 V428	L402-M444 HydrophobicContact CD2-CE 3.73Å; V404-M444 HydrophobicContact CG2-CE 4.39Å; V404-M444 HydrophobicContact CG2-SD 3.91Å; I414-M444 HydrophobicContact CG2-SD 4.24Å; L416-M444 HydrophobicContact CD1-CE 3.79Å; L416-M444 HydrophobicContact CD1-SD 3.7Å; I426-M444 HydrophobicContact CG1-CE 4.47Å; I426-M444 HydrophobicContact CG2-CE 3.68Å; S427-M444 CarbonylContact O-C 3.55Å; S427-M444 WeakPolarHBondContact O-CA 3.23Å; V428-M444 HydrophobicContact CG2-CB 4.16Å; V428-M444 HydrophobicContact CG2-CE 4.45Å; V428-M444 HydrophobicContact CG2-CG 3.82Å; V428-M444 HydrophobicContact CG2-SD 4.25Å
445	A	85.9	Confident	75.8	Confident	16 Å²	16	66.9 Å²	66.9	13%	0.132	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.3	170.3	0	0	0	0	0	109.1	I426 S427 I453 L455 L462	I426-A445 WeakPolarHBondContact CA-O 3.42Å; S427-A445 PolarHBondContact N-O 3Å; S427-A445 PolarHBondContact O-N 2.95Å; A445-I453 HydrophobicContact CB-CD1 3.75Å; A445-I453 HydrophobicContact CB-CG1 4.21Å; A445-L455 HydrophobicContact CB-CD1 3.95Å; A445-L455 HydrophobicContact CB-CD2 4.48Å; A445-L455 HydrophobicContact CB-CG 4.05Å; A445-L462 HydrophobicContact CB-CD1 3.84Å
446	Y	83.7	Confident	77.1	Confident	145 Å²	145	66.4 Å²	66.4	57%	0.569	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.3	173.8	75.9	-87.7	0	0	0	110.9	V425 V448	V425-Y446 CarbonylContact O-C 3.55Å; V425-Y446 WeakPolarHBondContact O-CA 3.28Å; Y446-V448 HydrophobicContact CD2-CG2 4.48Å; Y446-V448 HydrophobicContact CE2-CG2 3.98Å
447	A	80.1	Confident	78.4	Confident	12 Å²	12	63.9 Å²	63.9	10%	0.099	34%	0.336	C	S	.	.			trans	-112.3	120.9	-174.5	0	0	0	0	0	110.7	V425 P450 I453	V425-A447 HydrophobicContact CB-CB 3.79Å; V425-A447 HydrophobicContact CG1-CB 4.29Å; V425-A447 PolarHBondContact O-N 2.62Å; A447-P450 HydrophobicContact CB-CB 3.65Å; A447-P450 HydrophobicContact CB-CG 3.62Å; A447-I453 HydrophobicContact CB-CB 4.08Å; A447-I453 HydrophobicContact CB-CD1 4.05Å; A447-I453 HydrophobicContact CB-CG2 4.02Å
448	V	74.4	Confident	79.8	Confident	122 Å²	122	55.7 Å²	55.7	74%	0.739	30%	0.299	S	S	*	.	S	Bend	trans	-75.3	-42.2	175.1	179.7	0	0	0	0	111.5	Y446	Y446-V448 HydrophobicContact CD2-CG2 4.48Å; Y446-V448 HydrophobicContact CE2-CG2 3.98Å
449	D	73.7	Confident	81.1	Confident	98 Å²	98	53.5 Å²	53.5	52%	0.524	29%	0.286	S	S	.	.	S	Bend	trans	-129.3	-19.6	-174.5	-88.8	-37.2	0	0	0	116.6	K467	D449-K467 VanDerWaalsContact CG-NZ 3.27Å; D449-K467 VanDerWaalsContact O-CE 3.22Å; D449-K467 WeakPolarHBondContact O-CE 3.32Å; D449-K467 VanDerWaalsContact OD1-CE 3.28Å; D449-K467 WeakPolarHBondContact OD1-CE 3.46Å; D449-K467 IonicContact OD1-NZ 2.6Å; D449-K467 PolarHBondContact OD1-NZ 3.48Å; D449-K467 IonicContact OD2-NZ 3.82Å
450	P	67.4	Low	81.9	Confident	30 Å²	30	53 Å²	53	20%	0.195	26%	0.262	C	S	.	.			trans	-58.2	150.4	170.8	-26.3	33.1	0	0	0	113.4	V425 A447 W464 R465	V425-P450 WeakPolarHBondContact CG1-O 3.4Å; A447-P450 HydrophobicContact CB-CB 3.65Å; A447-P450 HydrophobicContact CB-CG 3.62Å; P450-W464 HydrophobicContact CG-CE3 4.46Å; P450-R465 WeakPolarHBondContact CA-O 3.48Å
451	K	75.2	Confident	82.5	Confident	128 Å²	128	49.2 Å²	49.2	56%	0.557	24%	0.244	S	C	*	.	S	Bend	trans	-88.8	-14.1	174.8	-77	-166.5	171.7	-172.2	0	113.9	R465	K451-R465 PolarHBondContact N-O 2.94Å
452	L	79.8	Confident	82.9	Confident	36 Å²	36	50.1 Å²	50.1	19%	0.188	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	138.4	178.4	-179.9	150.2	0	0	0	107.9	H424 A454 W464 R465 V491	H424-L452 WeakPolarHBondContact O-CA 3.46Å; L452-A454 HydrophobicContact CD2-CB 4.45Å; L452-W464 VanDerWaalsContact O-CA 3.31Å; L452-W464 WeakPolarHBondContact O-CA 3.38Å; L452-R465 HydrophobicContact CB-CB 4.2Å; L452-R465 PolarHBondContact O-N 2.81Å; L452-V491 HydrophobicContact CD1-CG1 3.7Å; L452-V491 HydrophobicContact CD2-CG1 3.61Å; L452-V491 HydrophobicContact CG-CG1 4.3Å
453	I	86.4	Confident	83	Confident	17 Å²	17	46.2 Å²	46.2	9%	0.087	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	136.3	171.8	-166.2	166.1	0	0	0	108.9	H424 V425 A445 A447 L462 L463 W464	H424-I453 PolarHBondContact O-N 3.17Å; V425-I453 WeakPolarHBondContact O-CG2 3.47Å; A445-I453 HydrophobicContact CB-CD1 3.75Å; A445-I453 HydrophobicContact CB-CG1 4.21Å; A447-I453 HydrophobicContact CB-CB 4.08Å; A447-I453 HydrophobicContact CB-CD1 4.05Å; A447-I453 HydrophobicContact CB-CG2 4.02Å; I453-L462 HydrophobicContact CD1-CD1 4.05Å; I453-L462 HydrophobicContact CD1-CD2 4.42Å; I453-L462 HydrophobicContact CG1-CD1 3.61Å; I453-L462 HydrophobicContact CG1-CG 4.38Å; I453-L463 CarbonylContact C-O 3.48Å; I453-L463 WeakPolarHBondContact CA-O 3.29Å; I453-W464 HydrophobicContact CG1-CB 4.41Å
454	A	87.8	Confident	83.2	Confident	19 Å²	19	43.9 Å²	43.9	16%	0.157	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	119.6	-178.5	0	0	0	0	0	111.6	L452 L463 W493	L452-A454 HydrophobicContact CD2-CB 4.45Å; A454-L463 HydrophobicContact CB-CB 4.43Å; A454-L463 PolarHBondContact N-O 2.99Å; A454-L463 PolarHBondContact O-N 3.38Å; A454-W493 PolarHBondContact O-NE1 3.06Å
455	L	88.7	Confident	83.2	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.016	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	144.8	166.4	-70.8	165.8	0	0	0	110.3	S427 R429 F443 A445 F461 L462 L476	S427-L455 PolarHBondContact OG-N 2.96Å; R429-L455 HydrophobicContact CG-CB 3.58Å; R429-L455 HydrophobicContact CG-CD1 4.17Å; R429-L455 PolarHBondContact NE-O 2.97Å; R429-L455 PolarHBondContact NH2-O 3.23Å; F443-L455 HydrophobicContact CB-CD1 3.91Å; A445-L455 HydrophobicContact CB-CD1 3.95Å; A445-L455 HydrophobicContact CB-CD2 4.48Å; A445-L455 HydrophobicContact CB-CG 4.05Å; L455-F461 WeakPolarHBondContact CA-O 3.48Å; L455-L462 HydrophobicContact CD2-CB 4.3Å; L455-L462 HydrophobicContact CD2-CD1 3.72Å; L455-L462 HydrophobicContact CG-CD1 3.97Å; L455-L476 HydrophobicContact CD2-CD1 3.65Å
456	N	86.8	Confident	83.2	Confident	1 Å²	1	44 Å²	44	1%	0.005	22%	0.217	C	C	.	.			trans	-72.9	168	164.4	72.2	-31.9	0	0	0	111.1	R429 T458 A459 K460 F461 W493 D498	R429-N456 WeakPolarHBondContact CG-O 3.47Å; N456-T458 VanDerWaalsContact C-N 3.3Å; N456-T458 PolarHBondContact ND2-OG1 2.98Å; N456-T458 PolarHBondContact O-N 2.8Å; N456-A459 PolarHBondContact O-N 2.81Å; N456-A459 WeakPolarHBondContact OD1-CA 3.37Å; N456-A459 PolarHBondContact OD1-N 3.38Å; N456-A459 VanDerWaalsContact OD1-N 3.16Å; N456-K460 PolarHBondContact OD1-N 2.61Å; N456-F461 PolarHBondContact N-O 2.91Å; N456-F461 VanDerWaalsContact N-O 3.13Å; N456-F461 PolarHBondContact OD1-N 2.84Å; N456-F461 PolarHBondContact OD1-O 2.86Å; N456-W493 HydrophobicContact CB-CD2 3.75Å; N456-W493 HydrophobicContact CB-CE3 3.86Å; N456-W493 HydrophobicContact CB-CG 4.36Å; N456-W493 HydrophobicContact CB-CH2 3.98Å; N456-W493 HydrophobicContact CB-CZ2 3.83Å; N456-W493 HydrophobicContact CB-CZ3 3.98Å; N456-D498 PolarHBondContact ND2-OD1 3Å; N456-D498 PolarHBondContact ND2-OD2 3.19Å
457	E	83.1	Confident	83.3	Confident	42 Å²	42	43 Å²	43	20%	0.196	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-27	-172.7	-65.5	174.2	-175.6	0	0	114.1	E432 R433 A459 P495 G496	E432-E457 HydrophobicContact CB-CB 4.26Å; R433-E457 HydrophobicContact CB-CB 3.68Å; E457-A459 VanDerWaalsContact C-N 3.29Å; E457-P495 WeakPolarHBondContact OE1-CA 3.24Å; E457-G496 VanDerWaalsContact CD-N 3.26Å; E457-G496 PolarHBondContact OE1-N 2.94Å; E457-G496 WeakPolarHBondContact OE2-CA 3.44Å; E457-G496 PolarHBondContact OE2-N 2.68Å; E457-G496 VanDerWaalsContact OE2-N 3.11Å
458	T	82.9	Confident	83.6	Confident	10 Å²	10	52 Å²	52	6%	0.061	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-6.5	173.5	64.6	0	0	0	0	113.2	R433 N456 K460	R433-T458 HydrophobicContact CB-CG2 4.09Å; R433-T458 HydrophobicContact CG-CG2 3.82Å; N456-T458 VanDerWaalsContact C-N 3.3Å; N456-T458 PolarHBondContact ND2-OG1 2.98Å; N456-T458 PolarHBondContact O-N 2.8Å; T458-K460 PolarHBondContact O-N 3.29Å
459	A	84.4	Confident	84.1	Confident	6 Å²	6	51.1 Å²	51.1	5%	0.05	23%	0.23	C	C	.	.	S	Bend	trans	54.3	23.9	-174.5	0	0	0	0	0	115.5	R429 I441 F443 N456 E457 L476	R429-A459 HydrophobicContact CB-CB 4.35Å; I441-A459 HydrophobicContact CG2-CB 3.88Å; F443-A459 HydrophobicContact CB-CB 3.81Å; F443-A459 HydrophobicContact CD1-CB 4.47Å; F443-A459 HydrophobicContact CD2-CB 3.46Å; F443-A459 VanDerWaalsContact CD2-CB 3.46Å; F443-A459 HydrophobicContact CE2-CB 4.12Å; F443-A459 HydrophobicContact CG-CB 3.67Å; N456-A459 PolarHBondContact O-N 2.81Å; N456-A459 WeakPolarHBondContact OD1-CA 3.37Å; N456-A459 PolarHBondContact OD1-N 3.38Å; N456-A459 VanDerWaalsContact OD1-N 3.16Å; E457-A459 VanDerWaalsContact C-N 3.29Å; A459-L476 WeakPolarHBondContact O-CD1 3.43Å
460	K	82.4	Confident	84.9	Confident	63 Å²	63	49.9 Å²	49.9	27%	0.274	22%	0.221	S	C	.	.	S	Bend	trans	-81.8	-30.6	173.3	-72	175.8	170	-80.9	0	113.2	N456 T458 L476 E477	N456-K460 PolarHBondContact OD1-N 2.61Å; T458-K460 PolarHBondContact O-N 3.29Å; K460-L476 WeakPolarHBondContact O-CB 3.37Å; K460-L476 WeakPolarHBondContact O-CG 3.37Å; K460-L476 PolarHBondContact O-N 2.8Å; K460-E477 IonicContact NZ-OE1 3.55Å; K460-E477 PolarHBondContact NZ-OE1 2.89Å; K460-E477 IonicContact NZ-OE2 2.6Å; K460-E477 PolarHBondContact NZ-OE2 3.06Å
461	F	86.7	Confident	85.9	Confident	53 Å²	53	48.5 Å²	48.5	23%	0.232	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.3	-171.8	-62.4	-61.4	0	0	0	112.1	L455 N456 L473 Q474 D475 W493 D498	L455-F461 WeakPolarHBondContact CA-O 3.48Å; N456-F461 PolarHBondContact N-O 2.91Å; N456-F461 VanDerWaalsContact N-O 3.13Å; N456-F461 PolarHBondContact OD1-N 2.84Å; N456-F461 PolarHBondContact OD1-O 2.86Å; F461-L473 HydrophobicContact CB-CD1 3.98Å; F461-L473 HydrophobicContact CD1-CD1 4.46Å; F461-L473 HydrophobicContact CG-CD1 4.44Å; F461-Q474 WeakPolarHBondContact CA-O 3.38Å; F461-D475 HydrophobicContact CD1-CB 4.3Å; F461-D475 HydrophobicContact CE1-CB 4.14Å; F461-W493 HydrophobicContact CB-CH2 3.43Å; F461-W493 VanDerWaalsContact CB-CH2 3.43Å; F461-W493 HydrophobicContact CB-CZ2 3.76Å; F461-W493 HydrophobicContact CB-CZ3 4.47Å; F461-W493 HydrophobicContact CD2-CH2 4.48Å; F461-W493 HydrophobicContact CG-CH2 4.26Å; F461-D498 HydrophobicContact CD2-CB 4.45Å
462	L	89	Confident	86.5	Confident	19 Å²	19	43.4 Å²	43.4	10%	0.099	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	116	178.1	-177	68.3	0	0	0	110.3	A445 I453 L455 Q474 L476	A445-L462 HydrophobicContact CB-CD1 3.84Å; I453-L462 HydrophobicContact CD1-CD1 4.05Å; I453-L462 HydrophobicContact CD1-CD2 4.42Å; I453-L462 HydrophobicContact CG1-CD1 3.61Å; I453-L462 HydrophobicContact CG1-CG 4.38Å; L455-L462 HydrophobicContact CD2-CB 4.3Å; L455-L462 HydrophobicContact CD2-CD1 3.72Å; L455-L462 HydrophobicContact CG-CD1 3.97Å; L462-Q474 HydrophobicContact CB-CB 4.35Å; L462-Q474 PolarHBondContact N-O 2.86Å; L462-Q474 PolarHBondContact O-N 3.04Å; L462-L476 HydrophobicContact CB-CD1 4.22Å; L462-L476 HydrophobicContact CB-CD2 4.07Å; L462-L476 HydrophobicContact CB-CG 4.26Å; L462-L476 HydrophobicContact CD2-CD2 4.45Å
463	L	89.6	Confident	86.8	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	138.1	163.8	-78.1	173.2	0	0	0	110.3	I453 A454 L471 F472 L473 L484 V491 W493 I500	I453-L463 CarbonylContact C-O 3.48Å; I453-L463 WeakPolarHBondContact CA-O 3.29Å; A454-L463 HydrophobicContact CB-CB 4.43Å; A454-L463 PolarHBondContact N-O 2.99Å; A454-L463 PolarHBondContact O-N 3.38Å; L463-L471 HydrophobicContact CD2-CD1 4.09Å; L463-L471 HydrophobicContact CD2-CD2 4.43Å; L463-L471 HydrophobicContact CD2-CG 4.27Å; L463-F472 WeakPolarHBondContact CA-O 3.36Å; L463-L473 HydrophobicContact CD2-CB 4.27Å; L463-L473 HydrophobicContact CD2-CD1 4Å; L463-L473 HydrophobicContact CG-CD1 4.31Å; L463-L484 HydrophobicContact CD2-CD1 3.83Å; L463-V491 HydrophobicContact CD1-CG2 3.81Å; L463-W493 HydrophobicContact CB-CZ2 4.25Å; L463-W493 HydrophobicContact CD1-CD2 3.9Å; L463-W493 VanDerWaalsContact CD1-CE2 3.49Å; L463-W493 HydrophobicContact CD1-CE3 4.48Å; L463-W493 HydrophobicContact CD1-CG 4.32Å; L463-W493 HydrophobicContact CD1-CH2 4.33Å; L463-W493 HydrophobicContact CD1-CZ2 3.75Å; L463-W493 HydrophobicContact CG-CH2 4.18Å; L463-W493 HydrophobicContact CG-CZ2 3.52Å; L463-I500 HydrophobicContact CD1-CB 4.48Å; L463-I500 HydrophobicContact CD1-CD1 4.43Å; L463-I500 HydrophobicContact CD1-CG1 4.11Å; L463-I500 HydrophobicContact CD1-CG2 3.66Å; L463-I500 HydrophobicContact CD2-CD1 4.11Å; L463-I500 HydrophobicContact CD2-CG2 4.23Å; L463-I500 HydrophobicContact CG-CD1 4.49Å
464	W	89.9	Confident	86.8	Confident	49 Å²	49	45.3 Å²	45.3	19%	0.186	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	148.2	169	59.3	-86.8	0	0	0	112.4	P450 L452 I453 D466 F472 K481	P450-W464 HydrophobicContact CG-CE3 4.46Å; L452-W464 VanDerWaalsContact O-CA 3.31Å; L452-W464 WeakPolarHBondContact O-CA 3.38Å; I453-W464 HydrophobicContact CG1-CB 4.41Å; W464-D466 HydrophobicContact CZ3-CB 4.06Å; W464-F472 HydrophobicContact CD2-CB 3.98Å; W464-F472 HydrophobicContact CD2-CD2 4.06Å; W464-F472 HydrophobicContact CD2-CG 4.4Å; W464-F472 AromaticContact CE3-CD2 3.72Å; W464-F472 HydrophobicContact CE3-CD2 3.72Å; W464-F472 HydrophobicContact CE3-CE2 4.44Å; W464-F472 HydrophobicContact CE3-CG 4.49Å; W464-F472 HydrophobicContact CG-CB 4.4Å; W464-F472 AromaticContact CH2-CD2 3.63Å; W464-F472 HydrophobicContact CH2-CD2 3.63Å; W464-F472 AromaticContact CH2-CE2 3.94Å; W464-F472 HydrophobicContact CH2-CE2 3.94Å; W464-F472 HydrophobicContact CH2-CG 4.14Å; W464-F472 HydrophobicContact CZ2-CB 4.05Å; W464-F472 AromaticContact CZ2-CD2 3.94Å; W464-F472 HydrophobicContact CZ2-CD2 3.94Å; W464-F472 HydrophobicContact CZ2-CG 4.01Å; W464-F472 AromaticContact CZ3-CD2 3.48Å; W464-F472 HydrophobicContact CZ3-CD2 3.48Å; W464-F472 VanDerWaalsContact CZ3-CD2 3.48Å; W464-F472 AromaticContact CZ3-CE2 3.82Å; W464-F472 HydrophobicContact CZ3-CE2 3.82Å; W464-F472 HydrophobicContact CZ3-CG 4.36Å; W464-F472 PolarHBondContact N-O 2.83Å; W464-F472 PolarHBondContact O-N 3.04Å; W464-K481 VanDerWaalsContact CH2-NZ 3.33Å; W464-K481 HydrophobicContact CZ2-CD 4.06Å; W464-K481 VanDerWaalsContact CZ2-NZ 3.28Å
465	R	88.8	Confident	86.6	Confident	37 Å²	37	45.4 Å²	45.4	14%	0.14	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.1	179.7	-173.7	-179.8	58.4	-179.4	-11.5	111.2	P450 K451 L452 Q470 L471 C488 E489	P450-R465 WeakPolarHBondContact CA-O 3.48Å; K451-R465 PolarHBondContact N-O 2.94Å; L452-R465 HydrophobicContact CB-CB 4.2Å; L452-R465 PolarHBondContact O-N 2.81Å; R465-Q470 WeakPolarHBondContact CA-O 3.46Å; R465-L471 HydrophobicContact CB-CD1 4.41Å; R465-C488 VanDerWaalsContact CD-O 3.23Å; R465-C488 WeakPolarHBondContact CD-O 3.34Å; R465-C488 PolarHBondContact NH1-O 2.84Å; R465-E489 VanDerWaalsContact NH1-C 3.3Å; R465-E489 PolarHBondContact NH1-O 2.8Å
466	D	86.7	Confident	86.5	Confident	32 Å²	32	48.5 Å²	48.5	17%	0.171	21%	0.213	C	C	.	.			trans	-77.9	178.9	-178.6	88.2	-17.1	0	0	0	113.3	W464 R468 R469 Q470 F472	W464-D466 HydrophobicContact CZ3-CB 4.06Å; D466-R468 PolarHBondContact O-N 3.09Å; D466-R468 VanDerWaalsContact OD1-C 3.25Å; D466-R468 VanDerWaalsContact OD1-CA 3.25Å; D466-R468 WeakPolarHBondContact OD1-CA 3.37Å; D466-R468 WeakPolarHBondContact OD1-CB 3.44Å; D466-R468 PolarHBondContact OD1-N 2.85Å; D466-R469 PolarHBondContact O-N 2.85Å; D466-R469 PolarHBondContact OD1-N 2.94Å; D466-Q470 PolarHBondContact N-O 3.42Å; D466-Q470 PolarHBondContact OD1-N 3.43Å; D466-F472 HydrophobicContact CB-CE2 4.25Å
467	K	85.1	Confident	86.1	Confident	126 Å²	126	54.4 Å²	54.4	55%	0.548	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-19	177.7	-66.4	179.1	-178	172.2	0	113.5	D449 R469	D449-K467 VanDerWaalsContact CG-NZ 3.27Å; D449-K467 VanDerWaalsContact O-CE 3.22Å; D449-K467 WeakPolarHBondContact O-CE 3.32Å; D449-K467 VanDerWaalsContact OD1-CE 3.28Å; D449-K467 WeakPolarHBondContact OD1-CE 3.46Å; D449-K467 IonicContact OD1-NZ 2.6Å; D449-K467 PolarHBondContact OD1-NZ 3.48Å; D449-K467 IonicContact OD2-NZ 3.82Å; K467-R469 VanDerWaalsContact C-N 3.33Å
468	R	86.1	Confident	85.9	Confident	201 Å²	201	58.7 Å²	58.7	76%	0.758	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	5.8	176	-60.3	179.7	170.6	-172.2	-2.5	113.1	D466 Q470	D466-R468 PolarHBondContact O-N 3.09Å; D466-R468 VanDerWaalsContact OD1-C 3.25Å; D466-R468 VanDerWaalsContact OD1-CA 3.25Å; D466-R468 WeakPolarHBondContact OD1-CA 3.37Å; D466-R468 WeakPolarHBondContact OD1-CB 3.44Å; D466-R468 PolarHBondContact OD1-N 2.85Å; R468-Q470 VanDerWaalsContact C-N 3.25Å; R468-Q470 PolarHBondContact O-N 3.37Å
469	R	86.5	Confident	85.7	Confident	103 Å²	103	60.7 Å²	60.7	39%	0.389	29%	0.285	S	S	.	.			trans	63	24.9	-174	-52.8	-172.7	-172.4	-174	-2	113.8	D466 K467 Q487 C488 E489	D466-R469 PolarHBondContact O-N 2.85Å; D466-R469 PolarHBondContact OD1-N 2.94Å; K467-R469 VanDerWaalsContact C-N 3.33Å; R469-Q487 PolarHBondContact O-N 3.35Å; R469-C488 PolarHBondContact O-N 3.14Å; R469-E489 IonicContact CZ-OE1 3.97Å; R469-E489 IonicContact NH1-OE1 2.76Å; R469-E489 PolarHBondContact NH1-OE1 2.9Å
470	Q	89.1	Confident	85.4	Confident	72 Å²	72	62.9 Å²	62.9	34%	0.336	30%	0.3	S	S	.	.			trans	-83	126.5	170	-168.3	166.9	12.5	0	0	109.5	R465 D466 R468 F472	R465-Q470 WeakPolarHBondContact CA-O 3.46Å; D466-Q470 PolarHBondContact N-O 3.42Å; D466-Q470 PolarHBondContact OD1-N 3.43Å; R468-Q470 VanDerWaalsContact C-N 3.25Å; R468-Q470 PolarHBondContact O-N 3.37Å; Q470-F472 HydrophobicContact CB-CE2 3.88Å; Q470-F472 HydrophobicContact CB-CZ 4.13Å; Q470-F472 VanDerWaalsContact CD-CZ 3.44Å; Q470-F472 HydrophobicContact CG-CD2 4.5Å; Q470-F472 HydrophobicContact CG-CE1 4.19Å; Q470-F472 HydrophobicContact CG-CE2 3.79Å; Q470-F472 HydrophobicContact CG-CZ 3.62Å
471	L	88.7	Confident	85.5	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	131.1	176.7	-175.3	64.8	0	0	0	109.9	L463 R465 L484 L485 C488 V491 A502 W511	L463-L471 HydrophobicContact CD2-CD1 4.09Å; L463-L471 HydrophobicContact CD2-CD2 4.43Å; L463-L471 HydrophobicContact CD2-CG 4.27Å; R465-L471 HydrophobicContact CB-CD1 4.41Å; L471-L484 HydrophobicContact CB-CB 4.46Å; L471-L484 HydrophobicContact CD2-CB 4.09Å; L471-L484 HydrophobicContact CD2-CD1 4.08Å; L471-L484 HydrophobicContact CG-CB 4.21Å; L471-L484 HydrophobicContact CG-CD1 4.41Å; L471-L484 PolarHBondContact O-N 2.81Å; L471-L485 HydrophobicContact CB-CB 4.08Å; L471-L485 HydrophobicContact CD2-CB 4.31Å; L471-L485 PolarHBondContact N-O 2.91Å; L471-C488 HydrophobicContact CB-CB 3.88Å; L471-V491 HydrophobicContact CD1-CB 4.25Å; L471-V491 HydrophobicContact CD1-CG1 3.92Å; L471-V491 HydrophobicContact CD1-CG2 3.98Å; L471-V491 HydrophobicContact CD2-CB 4.27Å; L471-V491 HydrophobicContact CD2-CG2 3.78Å; L471-A502 HydrophobicContact CD2-CB 4.16Å; L471-W511 HydrophobicContact CD2-CH2 3.95Å; L471-W511 HydrophobicContact CD2-CZ3 4.13Å
472	F	87.8	Confident	85.2	Confident	21 Å²	21	66.2 Å²	66.2	9%	0.092	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142.9	174.3	-61.4	-83.3	0	0	0	110.4	L463 W464 D466 Q470 K481 V482 A483	L463-F472 WeakPolarHBondContact CA-O 3.36Å; W464-F472 HydrophobicContact CD2-CB 3.98Å; W464-F472 HydrophobicContact CD2-CD2 4.06Å; W464-F472 HydrophobicContact CD2-CG 4.4Å; W464-F472 AromaticContact CE3-CD2 3.72Å; W464-F472 HydrophobicContact CE3-CD2 3.72Å; W464-F472 HydrophobicContact CE3-CE2 4.44Å; W464-F472 HydrophobicContact CE3-CG 4.49Å; W464-F472 HydrophobicContact CG-CB 4.4Å; W464-F472 AromaticContact CH2-CD2 3.63Å; W464-F472 HydrophobicContact CH2-CD2 3.63Å; W464-F472 AromaticContact CH2-CE2 3.94Å; W464-F472 HydrophobicContact CH2-CE2 3.94Å; W464-F472 HydrophobicContact CH2-CG 4.14Å; W464-F472 HydrophobicContact CZ2-CB 4.05Å; W464-F472 AromaticContact CZ2-CD2 3.94Å; W464-F472 HydrophobicContact CZ2-CD2 3.94Å; W464-F472 HydrophobicContact CZ2-CG 4.01Å; W464-F472 AromaticContact CZ3-CD2 3.48Å; W464-F472 HydrophobicContact CZ3-CD2 3.48Å; W464-F472 VanDerWaalsContact CZ3-CD2 3.48Å; W464-F472 AromaticContact CZ3-CE2 3.82Å; W464-F472 HydrophobicContact CZ3-CE2 3.82Å; W464-F472 HydrophobicContact CZ3-CG 4.36Å; W464-F472 PolarHBondContact N-O 2.83Å; W464-F472 PolarHBondContact O-N 3.04Å; D466-F472 HydrophobicContact CB-CE2 4.25Å; Q470-F472 HydrophobicContact CB-CE2 3.88Å; Q470-F472 HydrophobicContact CB-CZ 4.13Å; Q470-F472 VanDerWaalsContact CD-CZ 3.44Å; Q470-F472 HydrophobicContact CG-CD2 4.5Å; Q470-F472 HydrophobicContact CG-CE1 4.19Å; Q470-F472 HydrophobicContact CG-CE2 3.79Å; Q470-F472 HydrophobicContact CG-CZ 3.62Å; F472-K481 HydrophobicContact CD1-CD 4.41Å; F472-K481 HydrophobicContact CD1-CG 4.41Å; F472-V482 VanDerWaalsContact CA-O 3.31Å; F472-V482 WeakPolarHBondContact CA-O 3.11Å; F472-A483 HydrophobicContact CD1-CB 3.88Å; F472-A483 HydrophobicContact CE1-CB 3.77Å
473	L	87.1	Confident	85	Confident	36 Å²	36	68 Å²	68	19%	0.188	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136	164.9	179.9	63.6	0	0	0	107.9	F461 L463 K481 V482 L484 W493 I500	F461-L473 HydrophobicContact CB-CD1 3.98Å; F461-L473 HydrophobicContact CD1-CD1 4.46Å; F461-L473 HydrophobicContact CG-CD1 4.44Å; L463-L473 HydrophobicContact CD2-CB 4.27Å; L463-L473 HydrophobicContact CD2-CD1 4Å; L463-L473 HydrophobicContact CG-CD1 4.31Å; L473-K481 WeakPolarHBondContact O-CA 3.47Å; L473-V482 PolarHBondContact N-O 2.83Å; L473-V482 PolarHBondContact O-N 2.8Å; L473-L484 HydrophobicContact CB-CD1 3.78Å; L473-L484 HydrophobicContact CB-CD2 4.1Å; L473-L484 HydrophobicContact CB-CG 3.79Å; L473-L484 HydrophobicContact CD2-CD1 4.49Å; L473-L484 HydrophobicContact CD2-CD2 4.38Å; L473-W493 HydrophobicContact CD1-CH2 3.8Å; L473-W493 HydrophobicContact CD1-CZ2 4.19Å; L473-I500 HydrophobicContact CD1-CD1 3.88Å; L473-I500 HydrophobicContact CD2-CD1 3.92Å; L473-I500 HydrophobicContact CG-CD1 4.44Å
474	Q	86.5	Confident	84.7	Confident	58 Å²	58	69.5 Å²	69.5	27%	0.271	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.1	175.1	179.9	171.9	-14.1	0	0	109.9	F461 L462 L476 S480	F461-Q474 WeakPolarHBondContact CA-O 3.38Å; L462-Q474 HydrophobicContact CB-CB 4.35Å; L462-Q474 PolarHBondContact N-O 2.86Å; L462-Q474 PolarHBondContact O-N 3.04Å; Q474-L476 HydrophobicContact CG-CD2 4.32Å; Q474-S480 CarbonylContact C-O 3.57Å; Q474-S480 VanDerWaalsContact CA-O 3.3Å; Q474-S480 WeakPolarHBondContact CA-O 3.34Å; Q474-S480 WeakPolarHBondContact CG-O 3.43Å
475	D	83.7	Confident	84.4	Confident	21 Å²	21	68.3 Å²	68.3	11%	0.112	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	125	169.3	-174.4	-45.6	0	0	0	108.3	F461 E477 I478 G479 S480	F461-D475 HydrophobicContact CD1-CB 4.3Å; F461-D475 HydrophobicContact CE1-CB 4.14Å; D475-E477 WeakPolarHBondContact OD1-CA 3.49Å; D475-E477 PolarHBondContact OD1-N 2.85Å; D475-I478 HydrophobicContact CB-CB 4.42Å; D475-I478 PolarHBondContact OD1-N 3.19Å; D475-I478 WeakPolarHBondContact OD2-CD1 3.46Å; D475-G479 CarbonylContact O-C 3.56Å; D475-G479 WeakPolarHBondContact O-CA 3.48Å; D475-G479 PolarHBondContact O-N 3.37Å; D475-S480 WeakPolarHBondContact CB-OG 3.2Å; D475-S480 PolarHBondContact N-O 2.83Å; D475-S480 PolarHBondContact O-N 3.16Å
476	L	85	Confident	84.2	Confident	68 Å²	68	69.9 Å²	69.9	36%	0.356	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-14.9	-176.8	-60	177.2	0	0	0	113.2	L455 A459 K460 L462 Q474	L455-L476 HydrophobicContact CD2-CD1 3.65Å; A459-L476 WeakPolarHBondContact O-CD1 3.43Å; K460-L476 WeakPolarHBondContact O-CB 3.37Å; K460-L476 WeakPolarHBondContact O-CG 3.37Å; K460-L476 PolarHBondContact O-N 2.8Å; L462-L476 HydrophobicContact CB-CD1 4.22Å; L462-L476 HydrophobicContact CB-CD2 4.07Å; L462-L476 HydrophobicContact CB-CG 4.26Å; L462-L476 HydrophobicContact CD2-CD2 4.45Å; Q474-L476 HydrophobicContact CG-CD2 4.32Å
477	E	78.5	Confident	84.1	Confident	125 Å²	125	71.6 Å²	71.6	58%	0.584	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-45.2	175	-64.4	-173.6	160.9	0	0	110.9	K460 D475	K460-E477 IonicContact NZ-OE1 3.55Å; K460-E477 PolarHBondContact NZ-OE1 2.89Å; K460-E477 IonicContact NZ-OE2 2.6Å; K460-E477 PolarHBondContact NZ-OE2 3.06Å; D475-E477 WeakPolarHBondContact OD1-CA 3.49Å; D475-E477 PolarHBondContact OD1-N 2.85Å
478	I	78.5	Confident	84.1	Confident	132 Å²	132	65.6 Å²	65.6	68%	0.677	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-21.7	-179.1	-53.5	179.4	0	0	0	111.2	D475 S480	D475-I478 HydrophobicContact CB-CB 4.42Å; D475-I478 PolarHBondContact OD1-N 3.19Å; D475-I478 WeakPolarHBondContact OD2-CD1 3.46Å; I478-S480 PolarHBondContact O-N 2.94Å
479	G	79.6	Confident	84	Confident	51 Å²	51	60.5 Å²	60.5	53%	0.526	33%	0.325	S	S	.	.			trans	73.3	11.3	-172.4	0	0	0	0	0	113.7	D475	D475-G479 CarbonylContact O-C 3.56Å; D475-G479 WeakPolarHBondContact O-CA 3.48Å; D475-G479 PolarHBondContact O-N 3.37Å
480	S	78.1	Confident	83.9	Confident	52 Å²	52	59.1 Å²	59.1	36%	0.364	32%	0.322	S	S	.	.			trans	-73.5	147.8	-178.8	86.8	0	0	0	0	111.3	Q474 D475 I478	Q474-S480 CarbonylContact C-O 3.57Å; Q474-S480 VanDerWaalsContact CA-O 3.3Å; Q474-S480 WeakPolarHBondContact CA-O 3.34Å; Q474-S480 WeakPolarHBondContact CG-O 3.43Å; D475-S480 WeakPolarHBondContact CB-OG 3.2Å; D475-S480 PolarHBondContact N-O 2.83Å; D475-S480 PolarHBondContact O-N 3.16Å; I478-S480 PolarHBondContact O-N 2.94Å
481	K	84	Confident	83.7	Confident	109 Å²	109	56.1 Å²	56.1	47%	0.474	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.5	180	178.7	-172.8	168	-174.8	0	110.4	W464 F472 L473	W464-K481 VanDerWaalsContact CH2-NZ 3.33Å; W464-K481 HydrophobicContact CZ2-CD 4.06Å; W464-K481 VanDerWaalsContact CZ2-NZ 3.28Å; F472-K481 HydrophobicContact CD1-CD 4.41Å; F472-K481 HydrophobicContact CD1-CG 4.41Å; L473-K481 WeakPolarHBondContact O-CA 3.47Å
482	V	81.2	Confident	83.6	Confident	78 Å²	78	60.8 Å²	60.8	47%	0.473	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.9	179.6	-176	0	0	0	0	109.7	F472 L473 L484	F472-V482 VanDerWaalsContact CA-O 3.31Å; F472-V482 WeakPolarHBondContact CA-O 3.11Å; L473-V482 PolarHBondContact N-O 2.83Å; L473-V482 PolarHBondContact O-N 2.8Å; V482-L484 HydrophobicContact CG1-CD2 4.36Å
483	A	84.8	Confident	83.4	Confident	55 Å²	55	60.7 Å²	60.7	46%	0.455	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.8	168.7	0	0	0	0	0	109	F472	F472-A483 HydrophobicContact CD1-CB 3.88Å; F472-A483 HydrophobicContact CE1-CB 3.77Å
484	L	82.9	Confident	83.2	Confident	33 Å²	33	59.3 Å²	59.3	17%	0.173	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-48.9	-176.2	-70	-171.2	0	0	0	112.9	L463 L471 L473 V482 I500 W511	L463-L484 HydrophobicContact CD2-CD1 3.83Å; L471-L484 HydrophobicContact CB-CB 4.46Å; L471-L484 HydrophobicContact CD2-CB 4.09Å; L471-L484 HydrophobicContact CD2-CD1 4.08Å; L471-L484 HydrophobicContact CG-CB 4.21Å; L471-L484 HydrophobicContact CG-CD1 4.41Å; L471-L484 PolarHBondContact O-N 2.81Å; L473-L484 HydrophobicContact CB-CD1 3.78Å; L473-L484 HydrophobicContact CB-CD2 4.1Å; L473-L484 HydrophobicContact CB-CG 3.79Å; L473-L484 HydrophobicContact CD2-CD1 4.49Å; L473-L484 HydrophobicContact CD2-CD2 4.38Å; V482-L484 HydrophobicContact CG1-CD2 4.36Å; L484-I500 HydrophobicContact CD1-CD1 3.88Å; L484-I500 HydrophobicContact CD1-CG2 4.38Å; L484-W511 HydrophobicContact CB-CH2 4.07Å; L484-W511 HydrophobicContact CB-CZ2 3.65Å; L484-W511 HydrophobicContact CD1-CD2 4.06Å; L484-W511 HydrophobicContact CD1-CE3 4.15Å; L484-W511 HydrophobicContact CD1-CH2 4.43Å; L484-W511 HydrophobicContact CD1-CZ2 4.42Å; L484-W511 HydrophobicContact CD1-CZ3 4.33Å; L484-W511 HydrophobicContact CD2-CD2 4.42Å; L484-W511 HydrophobicContact CD2-CG 4.4Å; L484-W511 HydrophobicContact CG-CZ2 4.49Å
485	L	83.6	Confident	82.8	Confident	24 Å²	24	60.3 Å²	60.3	13%	0.126	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	137.4	-167.7	-162.4	61.8	0	0	0	111.6	L471 C488 A502 S504 C509 W511	L471-L485 HydrophobicContact CB-CB 4.08Å; L471-L485 HydrophobicContact CD2-CB 4.31Å; L471-L485 PolarHBondContact N-O 2.91Å; L485-C488 HydrophobicContact CB-CB 4.44Å; L485-C488 HydrophobicContact CD2-CB 4.21Å; L485-C488 HydrophobicContact CG-CB 4.49Å; L485-A502 HydrophobicContact CD2-CB 3.81Å; L485-S504 VanDerWaalsContact CD2-CB 3.44Å; L485-C509 HydrophobicContact CD1-CB 3.77Å; L485-C509 HydrophobicContact CD2-CB 3.73Å; L485-C509 HydrophobicContact CG-CB 4.43Å; L485-W511 HydrophobicContact CB-CH2 3.81Å; L485-W511 HydrophobicContact CB-CZ2 3.93Å; L485-W511 HydrophobicContact CD1-CZ2 4.38Å; L485-W511 HydrophobicContact CD2-CH2 3.85Å; L485-W511 HydrophobicContact CD2-CZ2 4.49Å; L485-W511 HydrophobicContact CG-CH2 4.28Å; L485-W511 HydrophobicContact CG-CZ2 4.5Å
486	C	84.6	Confident	82.4	Confident	71 Å²	71	60.3 Å²	60.3	48%	0.48	34%	0.339	S	S	.	.	S	Bend	trans	-91.4	153.6	168.7	64.1	0	0	0	0	110.3	C488 S504	C486-C488 PolarHBondContact O-N 2.94Å; C486-C488 VanDerWaalsContact O-N 3.12Å; C486-S504 WeakPolarHBondContact O-CB 3.49Å; C486-S504 PolarHBondContact O-OG 2.86Å
487	Q	85.6	Confident	82	Confident	68 Å²	68	57.1 Å²	57.1	32%	0.318	32%	0.322	S	S	.	.	S	Bend	trans	47.4	38	-176.4	-59.8	-53.7	-35.2	0	0	115	R469 E489 S504 Y505	R469-Q487 PolarHBondContact O-N 3.35Å; Q487-E489 WeakPolarHBondContact O-CG 3.43Å; Q487-E489 PolarHBondContact O-N 3.35Å; Q487-S504 PolarHBondContact O-OG 2.85Å; Q487-Y505 HydrophobicContact CB-CD2 4.18Å; Q487-Y505 HydrophobicContact CB-CE1 4.2Å; Q487-Y505 HydrophobicContact CB-CE2 3.71Å; Q487-Y505 HydrophobicContact CG-CE1 3.92Å; Q487-Y505 HydrophobicContact CG-CE2 3.8Å; Q487-Y505 WeakPolarHBondContact CG-OH 3.39Å
488	C	85.1	Confident	81.9	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	117	174.6	168.3	0	0	0	0	110.1	R465 R469 L471 L485 C486 F490 Q503	R465-C488 VanDerWaalsContact CD-O 3.23Å; R465-C488 WeakPolarHBondContact CD-O 3.34Å; R465-C488 PolarHBondContact NH1-O 2.84Å; R469-C488 PolarHBondContact O-N 3.14Å; L471-C488 HydrophobicContact CB-CB 3.88Å; L485-C488 HydrophobicContact CB-CB 4.44Å; L485-C488 HydrophobicContact CD2-CB 4.21Å; L485-C488 HydrophobicContact CG-CB 4.49Å; C486-C488 PolarHBondContact O-N 2.94Å; C486-C488 VanDerWaalsContact O-N 3.12Å; C488-F490 PolarHBondContact SG-O 2.78Å; C488-Q503 CarbonylContact C-O 3.47Å; C488-Q503 WeakPolarHBondContact CA-O 3.26Å
489	E	83	Confident	82	Confident	93 Å²	93	47.5 Å²	47.5	44%	0.435	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-43.2	-178.3	-54.4	-153.8	113.3	0	0	111.2	R465 R469 Q487 Q503	R465-E489 VanDerWaalsContact NH1-C 3.3Å; R465-E489 PolarHBondContact NH1-O 2.8Å; R469-E489 IonicContact CZ-OE1 3.97Å; R469-E489 IonicContact NH1-OE1 2.76Å; R469-E489 PolarHBondContact NH1-OE1 2.9Å; Q487-E489 WeakPolarHBondContact O-CG 3.43Å; Q487-E489 PolarHBondContact O-N 3.35Å; E489-Q503 PolarHBondContact N-O 3.24Å
490	F	83.9	Confident	82.1	Confident	74 Å²	74	45.4 Å²	45.4	33%	0.325	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.9	174.2	178	-101.7	0	0	0	110.1	C488 Q492 V501 A502 Q503	C488-F490 PolarHBondContact SG-O 2.78Å; F490-Q492 HydrophobicContact CE1-CB 4.11Å; F490-Q492 HydrophobicContact CZ-CB 3.94Å; F490-V501 HydrophobicContact CE1-CG1 4.06Å; F490-A502 CarbonylContact O-C 3.51Å; F490-A502 VanDerWaalsContact O-CA 3.22Å; F490-A502 WeakPolarHBondContact O-CA 3.36Å; F490-A502 WeakPolarHBondContact O-CB 3.46Å; F490-Q503 HydrophobicContact CB-CB 4.06Å; F490-Q503 PolarHBondContact O-N 2.81Å
491	V	86.2	Confident	82.4	Confident	9 Å²	9	43.1 Å²	43.1	6%	0.055	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	142.4	169.6	57.5	0	0	0	0	111	L452 L463 L471 I500 V501 A502	L452-V491 HydrophobicContact CD1-CG1 3.7Å; L452-V491 HydrophobicContact CD2-CG1 3.61Å; L452-V491 HydrophobicContact CG-CG1 4.3Å; L463-V491 HydrophobicContact CD1-CG2 3.81Å; L471-V491 HydrophobicContact CD1-CB 4.25Å; L471-V491 HydrophobicContact CD1-CG1 3.92Å; L471-V491 HydrophobicContact CD1-CG2 3.98Å; L471-V491 HydrophobicContact CD2-CB 4.27Å; L471-V491 HydrophobicContact CD2-CG2 3.78Å; V491-I500 HydrophobicContact CG2-CG2 4.15Å; V491-V501 CarbonylContact C-O 3.59Å; V491-V501 WeakPolarHBondContact CA-O 3.46Å; V491-V501 WeakPolarHBondContact CG2-O 2.86Å; V491-A502 HydrophobicContact CB-CB 4.03Å; V491-A502 HydrophobicContact CG2-CB 4.14Å
492	Q	85.2	Confident	82.4	Confident	99 Å²	99	38 Å²	38	46%	0.463	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	153.7	175.4	-156.2	-177.7	-31.2	0	0	111.1	F490 V501	F490-Q492 HydrophobicContact CE1-CB 4.11Å; F490-Q492 HydrophobicContact CZ-CB 3.94Å; Q492-V501 PolarHBondContact N-O 3.49Å; Q492-V501 WeakPolarHBondContact O-CB 3.31Å; Q492-V501 PolarHBondContact O-N 3.36Å
493	W	85.1	Confident	82.6	Confident	18 Å²	18	37.2 Å²	37.2	7%	0.068	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	142.4	161.1	-68.1	106.2	0	0	0	109.8	A454 N456 F461 L463 L473 P495 D498 I500	A454-W493 PolarHBondContact O-NE1 3.06Å; N456-W493 HydrophobicContact CB-CD2 3.75Å; N456-W493 HydrophobicContact CB-CE3 3.86Å; N456-W493 HydrophobicContact CB-CG 4.36Å; N456-W493 HydrophobicContact CB-CH2 3.98Å; N456-W493 HydrophobicContact CB-CZ2 3.83Å; N456-W493 HydrophobicContact CB-CZ3 3.98Å; F461-W493 HydrophobicContact CB-CH2 3.43Å; F461-W493 VanDerWaalsContact CB-CH2 3.43Å; F461-W493 HydrophobicContact CB-CZ2 3.76Å; F461-W493 HydrophobicContact CB-CZ3 4.47Å; F461-W493 HydrophobicContact CD2-CH2 4.48Å; F461-W493 HydrophobicContact CG-CH2 4.26Å; L463-W493 HydrophobicContact CB-CZ2 4.25Å; L463-W493 HydrophobicContact CD1-CD2 3.9Å; L463-W493 VanDerWaalsContact CD1-CE2 3.49Å; L463-W493 HydrophobicContact CD1-CE3 4.48Å; L463-W493 HydrophobicContact CD1-CG 4.32Å; L463-W493 HydrophobicContact CD1-CH2 4.33Å; L463-W493 HydrophobicContact CD1-CZ2 3.75Å; L463-W493 HydrophobicContact CG-CH2 4.18Å; L463-W493 HydrophobicContact CG-CZ2 3.52Å; L473-W493 HydrophobicContact CD1-CH2 3.8Å; L473-W493 HydrophobicContact CD1-CZ2 4.19Å; W493-P495 WeakPolarHBondContact O-CD 3.45Å; W493-D498 WeakPolarHBondContact CZ3-O 3.14Å; W493-I500 HydrophobicContact CD2-CG1 4.48Å; W493-I500 HydrophobicContact CE3-CG1 3.68Å; W493-I500 HydrophobicContact CH2-CD1 3.85Å; W493-I500 HydrophobicContact CH2-CG1 3.81Å; W493-I500 HydrophobicContact CZ3-CD1 3.8Å; W493-I500 HydrophobicContact CZ3-CG1 3.28Å
494	V	81.8	Confident	82.6	Confident	7 Å²	7	34.8 Å²	34.8	4%	0.042	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-73.7	120.8	168.4	170.3	0	0	0	0	109.2	G496 S497 V499 V501 I518	V494-G496 PolarHBondContact O-N 2.92Å; V494-S497 VanDerWaalsContact CB-OG 3.28Å; V494-S497 WeakPolarHBondContact CB-OG 3.23Å; V494-S497 VanDerWaalsContact CG1-OG 3.28Å; V494-S497 WeakPolarHBondContact CG1-OG 3.41Å; V494-S497 PolarHBondContact O-N 2.86Å; V494-S497 PolarHBondContact O-OG 3.25Å; V494-V499 HydrophobicContact CB-CB 3.99Å; V494-V499 HydrophobicContact CB-CG1 4.15Å; V494-V499 HydrophobicContact CG2-CB 4.01Å; V494-V499 HydrophobicContact CG2-CG1 3.6Å; V494-V499 PolarHBondContact N-O 3Å; V494-V501 HydrophobicContact CG2-CG2 3.37Å; V494-I518 HydrophobicContact CB-CD1 4.49Å; V494-I518 HydrophobicContact CG1-CD1 3.44Å; V494-I518 VanDerWaalsContact CG1-CD1 3.44Å; V494-I518 HydrophobicContact CG1-CG1 4.31Å; V494-I518 HydrophobicContact CG2-CD1 4.25Å; V494-I518 HydrophobicContact CG2-CG1 4.42Å
495	P	79	Confident	82.6	Confident	79 Å²	79	41 Å²	41	51%	0.513	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	138.5	179.3	-24.6	34.5	0	0	0	112.4	E457 W493 S497	E457-P495 WeakPolarHBondContact OE1-CA 3.24Å; W493-P495 WeakPolarHBondContact O-CD 3.45Å; P495-S497 VanDerWaalsContact C-N 3.35Å
496	G	75.6	Confident	82.3	Confident	21 Å²	21	42.3 Å²	42.3	22%	0.216	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	17.9	-177.8	0	0	0	0	0	115	E457 V494 T549	E457-G496 VanDerWaalsContact CD-N 3.26Å; E457-G496 PolarHBondContact OE1-N 2.94Å; E457-G496 WeakPolarHBondContact OE2-CA 3.44Å; E457-G496 PolarHBondContact OE2-N 2.68Å; E457-G496 VanDerWaalsContact OE2-N 3.11Å; V494-G496 PolarHBondContact O-N 2.92Å; G496-T549 WeakPolarHBondContact O-CG2 3.35Å
497	S	75.7	Confident	81.8	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.007	23%	0.233	C	C	.	.	S	Bend	trans	-156.3	172.3	178.6	72.1	0	0	0	0	112.4	V494 P495 V499	V494-S497 VanDerWaalsContact CB-OG 3.28Å; V494-S497 WeakPolarHBondContact CB-OG 3.23Å; V494-S497 VanDerWaalsContact CG1-OG 3.28Å; V494-S497 WeakPolarHBondContact CG1-OG 3.41Å; V494-S497 PolarHBondContact O-N 2.86Å; V494-S497 PolarHBondContact O-OG 3.25Å; P495-S497 VanDerWaalsContact C-N 3.35Å; S497-V499 VanDerWaalsContact C-N 3.33Å; S497-V499 WeakPolarHBondContact OG-CB 3.43Å; S497-V499 PolarHBondContact OG-N 2.61Å
498	D	77.2	Confident	81.3	Confident	38 Å²	38	43.7 Å²	43.7	20%	0.203	23%	0.233	C	C	.	.	S	Bend	trans	-98.1	26.8	174.8	-70.3	-12.7	0	0	0	112.7	R433 N456 F461 W493	R433-D498 IonicContact NH1-OD1 2.79Å; R433-D498 PolarHBondContact NH1-OD1 3.04Å; R433-D498 VanDerWaalsContact NH1-OD1 3.12Å; R433-D498 IonicContact NH1-OD2 3.12Å; N456-D498 PolarHBondContact ND2-OD1 3Å; N456-D498 PolarHBondContact ND2-OD2 3.19Å; F461-D498 HydrophobicContact CD2-CB 4.45Å; W493-D498 WeakPolarHBondContact CZ3-O 3.14Å
499	V	79.6	Confident	80.7	Confident	18 Å²	18	45.3 Å²	45.3	11%	0.109	24%	0.244	C	C	.	.			trans	-91.7	142.7	-176	167.3	0	0	0	0	112.2	V494 S497 Y512 V545	V494-V499 HydrophobicContact CB-CB 3.99Å; V494-V499 HydrophobicContact CB-CG1 4.15Å; V494-V499 HydrophobicContact CG2-CB 4.01Å; V494-V499 HydrophobicContact CG2-CG1 3.6Å; V494-V499 PolarHBondContact N-O 3Å; S497-V499 VanDerWaalsContact C-N 3.33Å; S497-V499 WeakPolarHBondContact OG-CB 3.43Å; S497-V499 PolarHBondContact OG-N 2.61Å; V499-Y512 HydrophobicContact CB-CD2 4.32Å; V499-Y512 HydrophobicContact CB-CG 4.29Å; V499-Y512 HydrophobicContact CG1-CD1 3.78Å; V499-Y512 HydrophobicContact CG1-CD2 3.02Å; V499-Y512 HydrophobicContact CG1-CE1 3.91Å; V499-Y512 HydrophobicContact CG1-CE2 3.11Å; V499-Y512 HydrophobicContact CG1-CG 3.34Å; V499-Y512 HydrophobicContact CG2-CD1 4.05Å; V499-Y512 HydrophobicContact CG2-CD2 4.45Å; V499-Y512 HydrophobicContact CG2-CG 3.93Å; V499-V545 HydrophobicContact CG2-CG1 4.39Å
500	I	82.7	Confident	80.1	Confident	6 Å²	6	42.4 Å²	42.4	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.5	-173	-54.4	165.3	0	0	0	112.1	L463 L473 L484 V491 W493 W511	L463-I500 HydrophobicContact CD1-CB 4.48Å; L463-I500 HydrophobicContact CD1-CD1 4.43Å; L463-I500 HydrophobicContact CD1-CG1 4.11Å; L463-I500 HydrophobicContact CD1-CG2 3.66Å; L463-I500 HydrophobicContact CD2-CD1 4.11Å; L463-I500 HydrophobicContact CD2-CG2 4.23Å; L463-I500 HydrophobicContact CG-CD1 4.49Å; L473-I500 HydrophobicContact CD1-CD1 3.88Å; L473-I500 HydrophobicContact CD2-CD1 3.92Å; L473-I500 HydrophobicContact CG-CD1 4.44Å; L484-I500 HydrophobicContact CD1-CD1 3.88Å; L484-I500 HydrophobicContact CD1-CG2 4.38Å; V491-I500 HydrophobicContact CG2-CG2 4.15Å; W493-I500 HydrophobicContact CD2-CG1 4.48Å; W493-I500 HydrophobicContact CE3-CG1 3.68Å; W493-I500 HydrophobicContact CH2-CD1 3.85Å; W493-I500 HydrophobicContact CH2-CG1 3.81Å; W493-I500 HydrophobicContact CZ3-CD1 3.8Å; W493-I500 HydrophobicContact CZ3-CG1 3.28Å; I500-W511 HydrophobicContact CB-CB 4.4Å; I500-W511 HydrophobicContact CB-CE3 3.74Å; I500-W511 HydrophobicContact CB-CZ3 4.45Å; I500-W511 HydrophobicContact CG2-CE3 3.49Å; I500-W511 VanDerWaalsContact CG2-CE3 3.49Å; I500-W511 HydrophobicContact CG2-CZ3 3.71Å; I500-W511 PolarHBondContact N-O 2.66Å; I500-W511 PolarHBondContact O-N 2.93Å; I500-W511 VanDerWaalsContact O-N 3.14Å
501	V	83.5	Confident	79.5	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.03	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.9	177.6	176.2	0	0	0	0	110.1	F490 V491 Q492 V494 V516 Q517	F490-V501 HydrophobicContact CE1-CG1 4.06Å; V491-V501 CarbonylContact C-O 3.59Å; V491-V501 WeakPolarHBondContact CA-O 3.46Å; V491-V501 WeakPolarHBondContact CG2-O 2.86Å; Q492-V501 PolarHBondContact N-O 3.49Å; Q492-V501 WeakPolarHBondContact O-CB 3.31Å; Q492-V501 PolarHBondContact O-N 3.36Å; V494-V501 HydrophobicContact CG2-CG2 3.37Å; V501-V516 VanDerWaalsContact CA-CG2 3.46Å; V501-V516 HydrophobicContact CB-CG2 3.56Å; V501-V516 HydrophobicContact CG1-CG2 3.56Å; V501-V516 HydrophobicContact CG2-CG2 3.4Å; V501-Q517 HydrophobicContact CG1-CB 3.91Å; V501-Q517 HydrophobicContact CG1-CG 3.97Å
502	A	85.4	Confident	78.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	168.4	169.9	0	0	0	0	0	114.4	L471 L485 F490 V491 C509 W511	L471-A502 HydrophobicContact CD2-CB 4.16Å; L485-A502 HydrophobicContact CD2-CB 3.81Å; F490-A502 CarbonylContact O-C 3.51Å; F490-A502 VanDerWaalsContact O-CA 3.22Å; F490-A502 WeakPolarHBondContact O-CA 3.36Å; F490-A502 WeakPolarHBondContact O-CB 3.46Å; V491-A502 HydrophobicContact CB-CB 4.03Å; V491-A502 HydrophobicContact CG2-CB 4.14Å; A502-C509 CarbonylContact C-O 3.56Å; A502-C509 VanDerWaalsContact CA-O 3.31Å; A502-C509 WeakPolarHBondContact CA-O 3.38Å; A502-C509 WeakPolarHBondContact CB-O 3.46Å; A502-C509 PolarHBondContact N-O 2.93Å; A502-C509 PolarHBondContact O-N 3.37Å; A502-W511 HydrophobicContact CB-CH2 3.79Å; A502-W511 HydrophobicContact CB-CZ3 3.55Å
503	Q	85.4	Confident	76.3	Confident	62 Å²	62	47 Å²	47	29%	0.29	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	138.4	174.2	-167	-176.2	22.4	0	0	110.1	C488 E489 F490 N507	C488-Q503 CarbonylContact C-O 3.47Å; C488-Q503 WeakPolarHBondContact CA-O 3.26Å; E489-Q503 PolarHBondContact N-O 3.24Å; F490-Q503 HydrophobicContact CB-CB 4.06Å; F490-Q503 PolarHBondContact O-N 2.81Å; Q503-N507 CarbonylContact C-O 3.52Å; Q503-N507 WeakPolarHBondContact CA-O 3.35Å; Q503-N507 WeakPolarHBondContact CG-O 3.41Å
504	S	83.3	Confident	73.6	Confident	4 Å²	4	52.7 Å²	52.7	3%	0.028	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	136.3	171.5	172.3	0	0	0	0	111.4	L485 C486 Q487 G506 N507	L485-S504 VanDerWaalsContact CD2-CB 3.44Å; C486-S504 WeakPolarHBondContact O-CB 3.49Å; C486-S504 PolarHBondContact O-OG 2.86Å; Q487-S504 PolarHBondContact O-OG 2.85Å; S504-G506 PolarHBondContact O-N 2.94Å; S504-G506 VanDerWaalsContact O-N 3.16Å; S504-N507 PolarHBondContact N-O 2.94Å; S504-N507 WeakPolarHBondContact O-CA 3.39Å; S504-N507 WeakPolarHBondContact O-CB 3.42Å; S504-N507 PolarHBondContact O-N 2.99Å
505	Y	83.5	Confident	71.2	Confident	163 Å²	163	55.8 Å²	55.8	64%	0.639	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	34.8	-178.4	-63.3	-75	0	0	0	113.8	Q487 N507	Q487-Y505 HydrophobicContact CB-CD2 4.18Å; Q487-Y505 HydrophobicContact CB-CE1 4.2Å; Q487-Y505 HydrophobicContact CB-CE2 3.71Å; Q487-Y505 HydrophobicContact CG-CE1 3.92Å; Q487-Y505 HydrophobicContact CG-CE2 3.8Å; Q487-Y505 WeakPolarHBondContact CG-OH 3.39Å; Y505-N507 PolarHBondContact O-N 3.34Å
506	G	77	Confident	69.2	Low	53 Å²	53	52.2 Å²	52.2	55%	0.546	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	-13.1	-173.6	0	0	0	0	0	115.1	S504	S504-G506 PolarHBondContact O-N 2.94Å; S504-G506 VanDerWaalsContact O-N 3.16Å
507	N	74.3	Confident	67.3	Low	108 Å²	108	53.6 Å²	53.6	58%	0.578	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	148.7	171.3	-63.2	-51.2	0	0	0	110.9	Q503 S504 Y505	Q503-N507 CarbonylContact C-O 3.52Å; Q503-N507 WeakPolarHBondContact CA-O 3.35Å; Q503-N507 WeakPolarHBondContact CG-O 3.41Å; S504-N507 PolarHBondContact N-O 2.94Å; S504-N507 WeakPolarHBondContact O-CA 3.39Å; S504-N507 WeakPolarHBondContact O-CB 3.42Å; S504-N507 PolarHBondContact O-N 2.99Å; Y505-N507 PolarHBondContact O-N 3.34Å
508	L	75.9	Confident	65.7	Low	60 Å²	60	56.2 Å²	56.2	31%	0.314	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	109.8	178.3	-164.9	63.2	0	0	0	107.2	V516 V527 I529	L508-V516 HydrophobicContact CB-CG1 4.46Å; L508-V516 HydrophobicContact CD1-CG1 3.87Å; L508-V516 HydrophobicContact CD2-CG1 3.41Å; L508-V516 VanDerWaalsContact CD2-CG1 3.41Å; L508-V516 HydrophobicContact CG-CG1 3.27Å; L508-V527 HydrophobicContact CD2-CG1 3.59Å; L508-I529 HydrophobicContact CD2-CD1 4.23Å
509	C	71.9	Confident	64	Low	34 Å²	34	57.6 Å²	57.6	23%	0.23	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.1	-164.9	-65.8	0	0	0	0	111.7	L485 A502 W511	L485-C509 HydrophobicContact CD1-CB 3.77Å; L485-C509 HydrophobicContact CD2-CB 3.73Å; L485-C509 HydrophobicContact CG-CB 4.43Å; A502-C509 CarbonylContact C-O 3.56Å; A502-C509 VanDerWaalsContact CA-O 3.31Å; A502-C509 WeakPolarHBondContact CA-O 3.38Å; A502-C509 WeakPolarHBondContact CB-O 3.46Å; A502-C509 PolarHBondContact N-O 2.93Å; A502-C509 PolarHBondContact O-N 3.37Å; C509-W511 HydrophobicContact CB-CH2 4.41Å; C509-W511 WeakPolarHBondContact O-CZ3 3.49Å
510	V	71	Confident	62.3	Low	31 Å²	31	63.3 Å²	63.3	19%	0.188	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167	141.8	-148	153.2	0	0	0	0	112.2	Y512 P515 V516	V510-Y512 HydrophobicContact CG1-CD2 3.24Å; V510-Y512 HydrophobicContact CG1-CE2 3.38Å; V510-Y512 HydrophobicContact CG1-CG 4.49Å; V510-P515 HydrophobicContact CB-CB 3.87Å; V510-P515 HydrophobicContact CG1-CB 3.47Å; V510-P515 VanDerWaalsContact CG1-CB 3.47Å; V510-P515 HydrophobicContact CG2-CB 3.14Å; V510-P515 HydrophobicContact CG2-CG 4.15Å; V510-V516 HydrophobicContact CB-CB 3.58Å; V510-V516 HydrophobicContact CB-CG1 4.04Å; V510-V516 HydrophobicContact CB-CG2 3.41Å; V510-V516 VanDerWaalsContact CB-CG2 3.41Å; V510-V516 HydrophobicContact CG1-CB 3.5Å; V510-V516 HydrophobicContact CG1-CG1 4.46Å; V510-V516 HydrophobicContact CG1-CG2 3.38Å; V510-V516 HydrophobicContact CG2-CB 3.61Å; V510-V516 HydrophobicContact CG2-CG1 3.64Å; V510-V516 HydrophobicContact CG2-CG2 3.99Å
511	W	69.6	Low	60.5	Low	72 Å²	72	69.5 Å²	69.5	27%	0.273	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	85.7	-174.8	-48.7	-95.3	0	0	0	108.1	L471 L484 L485 I500 A502 C509	L471-W511 HydrophobicContact CD2-CH2 3.95Å; L471-W511 HydrophobicContact CD2-CZ3 4.13Å; L484-W511 HydrophobicContact CB-CH2 4.07Å; L484-W511 HydrophobicContact CB-CZ2 3.65Å; L484-W511 HydrophobicContact CD1-CD2 4.06Å; L484-W511 HydrophobicContact CD1-CE3 4.15Å; L484-W511 HydrophobicContact CD1-CH2 4.43Å; L484-W511 HydrophobicContact CD1-CZ2 4.42Å; L484-W511 HydrophobicContact CD1-CZ3 4.33Å; L484-W511 HydrophobicContact CD2-CD2 4.42Å; L484-W511 HydrophobicContact CD2-CG 4.4Å; L484-W511 HydrophobicContact CG-CZ2 4.49Å; L485-W511 HydrophobicContact CB-CH2 3.81Å; L485-W511 HydrophobicContact CB-CZ2 3.93Å; L485-W511 HydrophobicContact CD1-CZ2 4.38Å; L485-W511 HydrophobicContact CD2-CH2 3.85Å; L485-W511 HydrophobicContact CD2-CZ2 4.49Å; L485-W511 HydrophobicContact CG-CH2 4.28Å; L485-W511 HydrophobicContact CG-CZ2 4.5Å; I500-W511 HydrophobicContact CB-CB 4.4Å; I500-W511 HydrophobicContact CB-CE3 3.74Å; I500-W511 HydrophobicContact CB-CZ3 4.45Å; I500-W511 HydrophobicContact CG2-CE3 3.49Å; I500-W511 VanDerWaalsContact CG2-CE3 3.49Å; I500-W511 HydrophobicContact CG2-CZ3 3.71Å; I500-W511 PolarHBondContact N-O 2.66Å; I500-W511 PolarHBondContact O-N 2.93Å; I500-W511 VanDerWaalsContact O-N 3.14Å; A502-W511 HydrophobicContact CB-CH2 3.79Å; A502-W511 HydrophobicContact CB-CZ3 3.55Å; C509-W511 HydrophobicContact CB-CH2 4.41Å; C509-W511 WeakPolarHBondContact O-CZ3 3.49Å
512	Y	58.6	Low	58.5	Low	48 Å²	48	77.3 Å²	77.3	19%	0.188	40%	0.396	C	S	.	.	S	Bend	trans	-112	-171.1	142.7	-34.9	-162.4	0	0	0	103.6	V499 V510 I514 V516 L540 V545	V499-Y512 HydrophobicContact CB-CD2 4.32Å; V499-Y512 HydrophobicContact CB-CG 4.29Å; V499-Y512 HydrophobicContact CG1-CD1 3.78Å; V499-Y512 HydrophobicContact CG1-CD2 3.02Å; V499-Y512 HydrophobicContact CG1-CE1 3.91Å; V499-Y512 HydrophobicContact CG1-CE2 3.11Å; V499-Y512 HydrophobicContact CG1-CG 3.34Å; V499-Y512 HydrophobicContact CG2-CD1 4.05Å; V499-Y512 HydrophobicContact CG2-CD2 4.45Å; V499-Y512 HydrophobicContact CG2-CG 3.93Å; V510-Y512 HydrophobicContact CG1-CD2 3.24Å; V510-Y512 HydrophobicContact CG1-CE2 3.38Å; V510-Y512 HydrophobicContact CG1-CG 4.49Å; Y512-I514 VanDerWaalsContact C-N 3.32Å; Y512-I514 WeakPolarHBondContact CB-O 3.1Å; Y512-I514 WeakPolarHBondContact CD1-O 3.04Å; Y512-I514 WeakPolarHBondContact CD2-O 3.41Å; Y512-I514 WeakPolarHBondContact CE1-O 3.22Å; Y512-I514 PolarHBondContact O-N 2.68Å; Y512-V516 HydrophobicContact CE2-CB 4.05Å; Y512-V516 HydrophobicContact CE2-CG2 3.91Å; Y512-V516 VanDerWaalsContact OH-CA 3.32Å; Y512-V516 WeakPolarHBondContact OH-CA 3.33Å; Y512-L540 VanDerWaalsContact OH-CD1 3.24Å; Y512-L540 WeakPolarHBondContact OH-CD1 3.41Å; Y512-V545 HydrophobicContact CD1-CG2 3.61Å; Y512-V545 HydrophobicContact CE1-CG2 3.48Å; Y512-V545 VanDerWaalsContact CE1-CG2 3.48Å
513	D	46.5	Very low	56.8	Low	160 Å²	160	80.3 Å²	80.3	86%	0.856	43%	0.427	S	S	*	.	S	Bend	trans	-72.8	92.8	132	-76.7	-46.1	0	0	0	108.1
514	I	28	Very low	54.8	Low	137 Å²	137	81.9 Å²	81.9	70%	0.703	43%	0.433	S	S	*	.	S	Bend	trans	91.8	144.8	171.3	-52.9	153.6	0	0	0	119.2	Y512	Y512-I514 VanDerWaalsContact C-N 3.32Å; Y512-I514 WeakPolarHBondContact CB-O 3.1Å; Y512-I514 WeakPolarHBondContact CD1-O 3.04Å; Y512-I514 WeakPolarHBondContact CD2-O 3.41Å; Y512-I514 WeakPolarHBondContact CE1-O 3.22Å; Y512-I514 PolarHBondContact O-N 2.68Å
515	P	31.7	Very low	53.1	Low	72 Å²	72	81.9 Å²	81.9	47%	0.468	43%	0.432	S	S	.	.			trans	-129.7	168.1	-149.2	34.7	-18	0	0	0	121.6	V510 L540	V510-P515 HydrophobicContact CB-CB 3.87Å; V510-P515 HydrophobicContact CG1-CB 3.47Å; V510-P515 VanDerWaalsContact CG1-CB 3.47Å; V510-P515 HydrophobicContact CG2-CB 3.14Å; V510-P515 HydrophobicContact CG2-CG 4.15Å; P515-L540 WeakPolarHBondContact O-CD2 3.34Å
516	V	36.8	Very low	51.4	Low	4 Å²	4	76.4 Å²	76.4	2%	0.024	41%	0.412	C	S	.	.			cis	-167.6	160.6	-21.1	73.5	0	0	0	0	115.5	V501 L508 V510 Y512 V527	V501-V516 VanDerWaalsContact CA-CG2 3.46Å; V501-V516 HydrophobicContact CB-CG2 3.56Å; V501-V516 HydrophobicContact CG1-CG2 3.56Å; V501-V516 HydrophobicContact CG2-CG2 3.4Å; L508-V516 HydrophobicContact CB-CG1 4.46Å; L508-V516 HydrophobicContact CD1-CG1 3.87Å; L508-V516 HydrophobicContact CD2-CG1 3.41Å; L508-V516 VanDerWaalsContact CD2-CG1 3.41Å; L508-V516 HydrophobicContact CG-CG1 3.27Å; V510-V516 HydrophobicContact CB-CB 3.58Å; V510-V516 HydrophobicContact CB-CG1 4.04Å; V510-V516 HydrophobicContact CB-CG2 3.41Å; V510-V516 VanDerWaalsContact CB-CG2 3.41Å; V510-V516 HydrophobicContact CG1-CB 3.5Å; V510-V516 HydrophobicContact CG1-CG1 4.46Å; V510-V516 HydrophobicContact CG1-CG2 3.38Å; V510-V516 HydrophobicContact CG2-CB 3.61Å; V510-V516 HydrophobicContact CG2-CG1 3.64Å; V510-V516 HydrophobicContact CG2-CG2 3.99Å; Y512-V516 HydrophobicContact CE2-CB 4.05Å; Y512-V516 HydrophobicContact CE2-CG2 3.91Å; Y512-V516 VanDerWaalsContact OH-CA 3.32Å; Y512-V516 WeakPolarHBondContact OH-CA 3.33Å; V516-V527 VanDerWaalsContact O-CG1 3.32Å; V516-V527 WeakPolarHBondContact O-CG1 3.45Å; V516-V527 WeakPolarHBondContact O-CG2 3.24Å
517	Q	36.6	Very low	50.1	Low	50 Å²	50	74 Å²	74	23%	0.234	39%	0.387	C	S	.	.			trans	83.7	124.5	168.6	-153.5	-179.9	-6.5	0	0	114.5	V501 F526 V527	V501-Q517 HydrophobicContact CG1-CB 3.91Å; V501-Q517 HydrophobicContact CG1-CG 3.97Å; Q517-F526 CarbonylContact O-C 3.57Å; Q517-F526 VanDerWaalsContact O-C 3.31Å; Q517-F526 VanDerWaalsContact O-O 3.12Å; Q517-V527 HydrophobicContact CB-CG1 3.98Å; Q517-V527 VanDerWaalsContact O-CA 3.31Å; Q517-V527 WeakPolarHBondContact O-CA 3.5Å; Q517-V527 PolarHBondContact O-N 2.78Å
518	I	41.9	Very low	48.9	Very low	56 Å²	56	70.7 Å²	70.7	29%	0.287	37%	0.371	S	S	.	.			trans	-128.6	110.5	-161.3	-52.5	-158.7	0	0	0	112.7	V494 R520 T525 L540	V494-I518 HydrophobicContact CB-CD1 4.49Å; V494-I518 HydrophobicContact CG1-CD1 3.44Å; V494-I518 VanDerWaalsContact CG1-CD1 3.44Å; V494-I518 HydrophobicContact CG1-CG1 4.31Å; V494-I518 HydrophobicContact CG2-CD1 4.25Å; V494-I518 HydrophobicContact CG2-CG1 4.42Å; I518-R520 HydrophobicContact CG2-CB 4.37Å; I518-R520 HydrophobicContact CG2-CG 4Å; I518-T525 HydrophobicContact CB-CG2 3.93Å; I518-T525 HydrophobicContact CD1-CG2 3.52Å; I518-T525 HydrophobicContact CG1-CG2 3.45Å; I518-T525 VanDerWaalsContact CG1-CG2 3.45Å; I518-T525 HydrophobicContact CG2-CG2 3.76Å; I518-L540 HydrophobicContact CD1-CD1 4.41Å; I518-L540 HydrophobicContact CG1-CD1 3.99Å
519	V	41.7	Very low	47.6	Very low	67 Å²	67	70.4 Å²	70.4	41%	0.406	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.7	149	-180	0	0	0	0	107	F526 V528	V519-F526 PolarHBondContact N-O 2.77Å; V519-F526 PolarHBondContact O-N 3Å; V519-V528 HydrophobicContact CB-CG2 4.25Å; V519-V528 HydrophobicContact CG2-CB 4.36Å; V519-V528 HydrophobicContact CG2-CG2 3.68Å
520	R	44	Very low	46.1	Very low	138 Å²	138	76.7 Å²	76.7	52%	0.521	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	109.2	173.6	-107.1	179.5	173.9	170.2	-2.3	109.7	I518 K524 E542 E546	I518-R520 HydrophobicContact CG2-CB 4.37Å; I518-R520 HydrophobicContact CG2-CG 4Å; R520-K524 WeakPolarHBondContact CA-O 3.45Å; R520-E542 IonicContact CZ-OE1 3.29Å; R520-E542 IonicContact NE-OE1 2.66Å; R520-E542 PolarHBondContact NE-OE1 3.47Å; R520-E542 IonicContact NH2-OE1 3.68Å; R520-E542 PolarHBondContact NH2-OE1 3.24Å; R520-E546 IonicContact NH2-OE2 3.38Å; R520-E546 PolarHBondContact NH2-OE2 2.81Å
521	Q	43.1	Very low	44.6	Very low	135 Å²	135	77.5 Å²	77.5	63%	0.631	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.6	163.1	-83.8	-171.4	-8.2	0	0	108.7	G523 K524	Q521-G523 PolarHBondContact O-N 3.09Å; Q521-K524 PolarHBondContact N-O 3.35Å; Q521-K524 PolarHBondContact O-N 3.29Å
522	D	42.5	Very low	43.2	Very low	169 Å²	169	87 Å²	87	90%	0.904	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	37.5	173.4	-60.5	-21.7	0	0	0	116.1	K524	D522-K524 VanDerWaalsContact C-N 3.33Å
523	G	49.1	Very low	42.6	Very low	64 Å²	64	89.1 Å²	89.1	66%	0.66	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	22.6	178.8	0	0	0	0	0	114.4	Q521	Q521-G523 PolarHBondContact O-N 3.09Å
524	K	44.4	Very low	42.3	Very low	94 Å²	94	83.1 Å²	83.1	41%	0.409	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	151.3	170.1	-73.2	179	169.2	-103.1	0	111.1	R520 Q521 D522 F526 E539	R520-K524 WeakPolarHBondContact CA-O 3.45Å; Q521-K524 PolarHBondContact N-O 3.35Å; Q521-K524 PolarHBondContact O-N 3.29Å; D522-K524 VanDerWaalsContact C-N 3.33Å; K524-F526 HydrophobicContact CB-CD2 4.23Å; K524-F526 HydrophobicContact CB-CE2 3.51Å; K524-F526 HydrophobicContact CB-CZ 3.79Å; K524-F526 HydrophobicContact CD-CE2 4.16Å; K524-F526 HydrophobicContact CD-CZ 3.68Å; K524-F526 HydrophobicContact CG-CZ 4.39Å; K524-E539 IonicContact NZ-OE1 2.93Å; K524-E539 PolarHBondContact NZ-OE1 3.26Å; K524-E539 IonicContact NZ-OE2 2.78Å
525	T	48.2	Very low	43.3	Very low	4 Å²	4	80.9 Å²	80.9	3%	0.025	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	112.7	-178.2	-73.2	0	0	0	0	110.2	I518 L540 E542	I518-T525 HydrophobicContact CB-CG2 3.93Å; I518-T525 HydrophobicContact CD1-CG2 3.52Å; I518-T525 HydrophobicContact CG1-CG2 3.45Å; I518-T525 VanDerWaalsContact CG1-CG2 3.45Å; I518-T525 HydrophobicContact CG2-CG2 3.76Å; T525-L540 HydrophobicContact CG2-CB 3.67Å; T525-L540 HydrophobicContact CG2-CD1 3.4Å; T525-L540 HydrophobicContact CG2-CG 3.74Å; T525-L540 PolarHBondContact O-N 3.34Å; T525-L540 VanDerWaalsContact O-N 3.13Å; T525-E542 PolarHBondContact OG1-OE2 3.35Å; T525-E542 VanDerWaalsContact OG1-OE2 3.08Å
526	F	46.9	Very low	44.2	Very low	48 Å²	48	83.3 Å²	83.3	21%	0.211	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.1	-179.1	-60.8	-77.9	0	0	0	114	Q517 V519 K524 V528 H538 E539	Q517-F526 CarbonylContact O-C 3.57Å; Q517-F526 VanDerWaalsContact O-C 3.31Å; Q517-F526 VanDerWaalsContact O-O 3.12Å; V519-F526 PolarHBondContact N-O 2.77Å; V519-F526 PolarHBondContact O-N 3Å; K524-F526 HydrophobicContact CB-CD2 4.23Å; K524-F526 HydrophobicContact CB-CE2 3.51Å; K524-F526 HydrophobicContact CB-CZ 3.79Å; K524-F526 HydrophobicContact CD-CE2 4.16Å; K524-F526 HydrophobicContact CD-CZ 3.68Å; K524-F526 HydrophobicContact CG-CZ 4.39Å; F526-V528 HydrophobicContact CB-CG2 4.5Å; F526-V528 PolarHBondContact O-N 2.93Å; F526-H538 CarbonylContact C-O 3.51Å; F526-H538 WeakPolarHBondContact CA-O 3.45Å; F526-E539 HydrophobicContact CD1-CB 4.41Å; F526-E539 HydrophobicContact CE1-CB 4.38Å; F526-E539 HydrophobicContact CE1-CG 4.47Å
527	V	48.8	Very low	44.9	Very low	3 Å²	3	89.4 Å²	89.4	2%	0.018	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	102.3	167	-170.2	0	0	0	0	108.5	L508 V516 Q517 I529 E537 H538 L540	L508-V527 HydrophobicContact CD2-CG1 3.59Å; V516-V527 VanDerWaalsContact O-CG1 3.32Å; V516-V527 WeakPolarHBondContact O-CG1 3.45Å; V516-V527 WeakPolarHBondContact O-CG2 3.24Å; Q517-V527 HydrophobicContact CB-CG1 3.98Å; Q517-V527 VanDerWaalsContact O-CA 3.31Å; Q517-V527 WeakPolarHBondContact O-CA 3.5Å; Q517-V527 PolarHBondContact O-N 2.78Å; V527-I529 HydrophobicContact CG1-CD1 4.32Å; V527-I529 HydrophobicContact CG1-CG1 4.01Å; V527-E537 VanDerWaalsContact O-CA 3.26Å; V527-E537 WeakPolarHBondContact O-CA 3.46Å; V527-H538 HydrophobicContact CB-CB 3.9Å; V527-H538 HydrophobicContact CG2-CB 3.82Å; V527-H538 WeakPolarHBondContact CG2-O 3.46Å; V527-H538 PolarHBondContact N-O 2.73Å; V527-H538 PolarHBondContact O-N 2.98Å; V527-L540 HydrophobicContact CG2-CD1 4.25Å; V527-L540 HydrophobicContact CG2-CD2 3.47Å; V527-L540 VanDerWaalsContact CG2-CD2 3.47Å; V527-L540 HydrophobicContact CG2-CG 3.75Å
528	V	50.2	Low	45.6	Very low	39 Å²	39	92.5 Å²	92.5	24%	0.236	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	111.7	175.4	-172	0	0	0	0	110	V519 F526 T535 Y536 E537	V519-V528 HydrophobicContact CB-CG2 4.25Å; V519-V528 HydrophobicContact CG2-CB 4.36Å; V519-V528 HydrophobicContact CG2-CG2 3.68Å; F526-V528 HydrophobicContact CB-CG2 4.5Å; F526-V528 PolarHBondContact O-N 2.93Å; V528-T535 HydrophobicContact CG1-CG2 4.08Å; V528-Y536 WeakPolarHBondContact CA-O 3.46Å; V528-E537 HydrophobicContact CG2-CG 4.4Å
529	I	48.7	Very low	46	Very low	54 Å²	54	95.2 Å²	95.2	28%	0.277	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	105.3	176	-53.4	176.6	0	0	0	108.7	L508 V527 T535 Y536	L508-I529 HydrophobicContact CD2-CD1 4.23Å; V527-I529 HydrophobicContact CG1-CD1 4.32Å; V527-I529 HydrophobicContact CG1-CG1 4.01Å; I529-T535 WeakPolarHBondContact O-CA 3.41Å; I529-Y536 PolarHBondContact N-O 2.91Å; I529-Y536 PolarHBondContact O-N 2.77Å
530	E	40.5	Very low	46.6	Very low	166 Å²	166	93 Å²	93	78%	0.776	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	119.2	169.6	-76.5	-170.5	171.5	0	0	111.1	T535	E530-T535 HydrophobicContact CG-CG2 3.64Å
531	S	39.8	Very low	47.3	Very low	47 Å²	47	91.3 Å²	91.3	33%	0.329	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	164.1	174	78	0	0	0	0	111.2	S533 G534	S531-S533 PolarHBondContact O-N 3.42Å; S531-S533 PolarHBondContact OG-N 3.19Å; S531-S533 VanDerWaalsContact OG-N 3.16Å; S531-S533 PolarHBondContact OG-OG 3.07Å; S531-G534 WeakPolarHBondContact CB-O 3.41Å; S531-G534 PolarHBondContact N-O 3.12Å; S531-G534 PolarHBondContact O-N 2.99Å; S531-G534 VanDerWaalsContact O-N 3.07Å; S531-G534 PolarHBondContact OG-N 3.48Å; S531-G534 PolarHBondContact OG-O 3.1Å
532	R	39.1	Very low	48.1	Very low	271 Å²	271	86.9 Å²	86.9	100%	1.023	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-13.9	170.3	-71.3	-174.1	177.4	-174.7	-0.5	113.8
533	S	46.3	Very low	49	Very low	94 Å²	94	80 Å²	80	66%	0.657	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-2.5	178.6	31	0	0	0	0	114	S531	S531-S533 PolarHBondContact O-N 3.42Å; S531-S533 PolarHBondContact OG-N 3.19Å; S531-S533 VanDerWaalsContact OG-N 3.16Å; S531-S533 PolarHBondContact OG-OG 3.07Å
534	G	40.9	Very low	49.9	Very low	33 Å²	33	80.8 Å²	80.8	34%	0.34	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	132.2	174.4	-178.8	0	0	0	0	0	113.8	S531	S531-G534 WeakPolarHBondContact CB-O 3.41Å; S531-G534 PolarHBondContact N-O 3.12Å; S531-G534 PolarHBondContact O-N 2.99Å; S531-G534 VanDerWaalsContact O-N 3.07Å; S531-G534 PolarHBondContact OG-N 3.48Å; S531-G534 PolarHBondContact OG-O 3.1Å
535	T	48.2	Very low	51	Low	90 Å²	90	77.6 Å²	77.6	55%	0.552	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.6	170.8	25.4	0	0	0	0	111.1	V528 I529 E530	V528-T535 HydrophobicContact CG1-CG2 4.08Å; I529-T535 WeakPolarHBondContact O-CA 3.41Å; E530-T535 HydrophobicContact CG-CG2 3.64Å
536	Y	50.4	Low	52.2	Low	123 Å²	123	79 Å²	79	48%	0.482	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.5	171.1	-60.7	-86.3	0	0	0	110.1	V528 I529	V528-Y536 WeakPolarHBondContact CA-O 3.46Å; I529-Y536 PolarHBondContact N-O 2.91Å; I529-Y536 PolarHBondContact O-N 2.77Å
537	E	50.9	Low	53.8	Low	133 Å²	133	76.8 Å²	76.8	62%	0.621	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.3	179.8	-65.5	179	175.2	0	0	109.9	V527 V528	V527-E537 VanDerWaalsContact O-CA 3.26Å; V527-E537 WeakPolarHBondContact O-CA 3.46Å; V528-E537 HydrophobicContact CG2-CG 4.4Å
538	H	51.2	Low	55.2	Low	114 Å²	114	79.7 Å²	79.7	53%	0.528	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.9	164.5	-66.7	-85.6	0	0	0	109.9	F526 V527	F526-H538 CarbonylContact C-O 3.51Å; F526-H538 WeakPolarHBondContact CA-O 3.45Å; V527-H538 HydrophobicContact CB-CB 3.9Å; V527-H538 HydrophobicContact CG2-CB 3.82Å; V527-H538 WeakPolarHBondContact CG2-O 3.46Å; V527-H538 PolarHBondContact N-O 2.73Å; V527-H538 PolarHBondContact O-N 2.98Å
539	E	51.7	Low	56.5	Low	113 Å²	113	78.1 Å²	78.1	53%	0.528	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	134.8	176	-173.3	165.1	-160	0	0	109.3	K524 F526	K524-E539 IonicContact NZ-OE1 2.93Å; K524-E539 PolarHBondContact NZ-OE1 3.26Å; K524-E539 IonicContact NZ-OE2 2.78Å; F526-E539 HydrophobicContact CD1-CB 4.41Å; F526-E539 HydrophobicContact CE1-CB 4.38Å; F526-E539 HydrophobicContact CE1-CG 4.47Å
540	L	54.7	Low	58	Low	20 Å²	20	75.5 Å²	75.5	11%	0.105	38%	0.375	C	S	.	.			trans	-95.1	148.3	177.8	-58.6	-178.8	0	0	0	112.2	Y512 P515 I518 T525 V527 E542	Y512-L540 VanDerWaalsContact OH-CD1 3.24Å; Y512-L540 WeakPolarHBondContact OH-CD1 3.41Å; P515-L540 WeakPolarHBondContact O-CD2 3.34Å; I518-L540 HydrophobicContact CD1-CD1 4.41Å; I518-L540 HydrophobicContact CG1-CD1 3.99Å; T525-L540 HydrophobicContact CG2-CB 3.67Å; T525-L540 HydrophobicContact CG2-CD1 3.4Å; T525-L540 HydrophobicContact CG2-CG 3.74Å; T525-L540 PolarHBondContact O-N 3.34Å; T525-L540 VanDerWaalsContact O-N 3.13Å; V527-L540 HydrophobicContact CG2-CD1 4.25Å; V527-L540 HydrophobicContact CG2-CD2 3.47Å; V527-L540 VanDerWaalsContact CG2-CD2 3.47Å; V527-L540 HydrophobicContact CG2-CG 3.75Å; L540-E542 VanDerWaalsContact C-N 3.32Å; L540-E542 PolarHBondContact O-N 2.76Å
541	D	57.6	Low	60.1	Low	104 Å²	104	68.1 Å²	68.1	56%	0.556	34%	0.341	S	S	*	.			trans	-75	85	174.5	-150.7	-23.3	0	0	0	110.5	N543	D541-N543 PolarHBondContact O-N 2.93Å; D541-N543 VanDerWaalsContact O-N 3.11Å; D541-N543 VanDerWaalsContact OD1-CB 3.28Å; D541-N543 WeakPolarHBondContact OD1-CB 3.3Å; D541-N543 VanDerWaalsContact OD1-CG 3.24Å; D541-N543 PolarHBondContact OD1-ND2 3.15Å
542	E	59.3	Low	61.9	Low	41 Å²	41	69.6 Å²	69.6	19%	0.192	34%	0.342	C	S	.	.	H	α-helix	trans	-61.1	-19.7	-176.5	-166.5	156.7	-174.2	0	0	112.3	R520 T525 L540 M544 V545 Y562	R520-E542 IonicContact CZ-OE1 3.29Å; R520-E542 IonicContact NE-OE1 2.66Å; R520-E542 PolarHBondContact NE-OE1 3.47Å; R520-E542 IonicContact NH2-OE1 3.68Å; R520-E542 PolarHBondContact NH2-OE1 3.24Å; T525-E542 PolarHBondContact OG1-OE2 3.35Å; T525-E542 VanDerWaalsContact OG1-OE2 3.08Å; L540-E542 VanDerWaalsContact C-N 3.32Å; L540-E542 PolarHBondContact O-N 2.76Å; E542-M544 VanDerWaalsContact C-N 3.3Å; E542-M544 PolarHBondContact O-N 2.95Å; E542-V545 PolarHBondContact O-N 3.28Å; E542-Y562 VanDerWaalsContact C-OH 3.22Å; E542-Y562 PolarHBondContact O-OH 2.88Å
543	N	62.9	Low	63.7	Low	26 Å²	26	58.2 Å²	58.2	14%	0.139	30%	0.302	C	S	.	.	H	α-helix	trans	-53.4	-33.9	-173.9	-65.6	-34.7	0	0	0	115.2	D541 Y562 L566 H569 M575	D541-N543 PolarHBondContact O-N 2.93Å; D541-N543 VanDerWaalsContact O-N 3.11Å; D541-N543 VanDerWaalsContact OD1-CB 3.28Å; D541-N543 WeakPolarHBondContact OD1-CB 3.3Å; D541-N543 VanDerWaalsContact OD1-CG 3.24Å; D541-N543 PolarHBondContact OD1-ND2 3.15Å; N543-Y562 WeakPolarHBondContact CA-OH 3.36Å; N543-Y562 PolarHBondContact N-OH 3.11Å; N543-Y562 WeakPolarHBondContact O-CE1 3.21Å; N543-L566 WeakPolarHBondContact OD1-CD2 3.3Å; N543-H569 PolarHBondContact ND2-CE1 3.42Å; N543-H569 VanDerWaalsContact ND2-CE1 3.3Å; N543-M575 WeakPolarHBondContact O-CE 3.43Å
544	M	67.6	Low	65.2	Low	80 Å²	80	57.7 Å²	57.7	39%	0.394	29%	0.288	S	S	.	.	H	α-helix	trans	-91.1	-37.7	-177.9	-79.2	-108	57.5	0	0	113.4	E542 Q548	E542-M544 VanDerWaalsContact C-N 3.3Å; E542-M544 PolarHBondContact O-N 2.95Å; M544-Q548 VanDerWaalsContact O-CB 3.3Å; M544-Q548 WeakPolarHBondContact O-CB 3.13Å; M544-Q548 PolarHBondContact O-N 2.89Å
545	V	67.1	Low	67.2	Low	27 Å²	27	59.4 Å²	59.4	16%	0.164	29%	0.289	C	S	.	.	H	α-helix	trans	-69.6	-48.9	-169.5	-178.4	0	0	0	0	112	V499 Y512 E542 F547 Q548 T549	V499-V545 HydrophobicContact CG2-CG1 4.39Å; Y512-V545 HydrophobicContact CD1-CG2 3.61Å; Y512-V545 HydrophobicContact CE1-CG2 3.48Å; Y512-V545 VanDerWaalsContact CE1-CG2 3.48Å; E542-V545 PolarHBondContact O-N 3.28Å; V545-F547 VanDerWaalsContact C-N 3.34Å; V545-F547 PolarHBondContact O-N 3.25Å; V545-Q548 PolarHBondContact O-N 3.35Å; V545-T549 VanDerWaalsContact O-CB 3.25Å; V545-T549 WeakPolarHBondContact O-CB 3.27Å; V545-T549 PolarHBondContact O-N 2.65Å; V545-T549 PolarHBondContact O-OG1 3.13Å
546	E	73.4	Confident	69	Low	34 Å²	34	56 Å²	56	16%	0.159	27%	0.267	C	S	.	.	H	α-helix	trans	-66	-39	-175.7	-176.3	69.8	-160.3	0	0	111	R520 A550 R558 Y562	R520-E546 IonicContact NH2-OE2 3.38Å; R520-E546 PolarHBondContact NH2-OE2 2.81Å; E546-A550 WeakPolarHBondContact O-CB 3.35Å; E546-A550 PolarHBondContact O-N 2.94Å; E546-A550 VanDerWaalsContact O-N 3.13Å; E546-R558 IonicContact OE1-CZ 3.58Å; E546-R558 IonicContact OE1-NE 3.64Å; E546-R558 PolarHBondContact OE1-NE 2.83Å; E546-R558 IonicContact OE1-NH2 2.77Å; E546-R558 PolarHBondContact OE1-NH2 3.39Å; E546-R558 IonicContact OE2-CZ 3.58Å; E546-R558 IonicContact OE2-NH2 2.69Å; E546-R558 PolarHBondContact OE2-NH2 3.31Å; E546-Y562 HydrophobicContact CB-CD2 4.11Å; E546-Y562 HydrophobicContact CB-CE1 4.09Å; E546-Y562 HydrophobicContact CB-CE2 3.64Å; E546-Y562 HydrophobicContact CG-CD2 3.49Å; E546-Y562 VanDerWaalsContact CG-CD2 3.49Å; E546-Y562 HydrophobicContact CG-CE1 4.46Å; E546-Y562 HydrophobicContact CG-CE2 3.47Å; E546-Y562 VanDerWaalsContact CG-CE2 3.47Å; E546-Y562 HydrophobicContact CG-CG 4.03Å
547	F	81	Confident	70.7	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.4	-52.5	175.1	176.1	-106.7	0	0	0	112.6	V545 T549 A550 I551 A559 Y562 L563 M575 Q578 L579	V545-F547 VanDerWaalsContact C-N 3.34Å; V545-F547 PolarHBondContact O-N 3.25Å; F547-T549 VanDerWaalsContact C-N 3.31Å; F547-T549 PolarHBondContact O-N 2.73Å; F547-A550 PolarHBondContact O-N 2.88Å; F547-A550 VanDerWaalsContact O-N 3.12Å; F547-I551 HydrophobicContact CD1-CG1 4.31Å; F547-I551 HydrophobicContact CD2-CG1 4.25Å; F547-I551 HydrophobicContact CE1-CD1 4.45Å; F547-I551 HydrophobicContact CE1-CG1 3.81Å; F547-I551 HydrophobicContact CE2-CD1 3.83Å; F547-I551 HydrophobicContact CE2-CG1 3.73Å; F547-I551 HydrophobicContact CZ-CD1 3.66Å; F547-I551 HydrophobicContact CZ-CG1 3.48Å; F547-I551 VanDerWaalsContact CZ-CG1 3.48Å; F547-I551 WeakPolarHBondContact O-CG1 3.33Å; F547-I551 PolarHBondContact O-N 2.94Å; F547-A559 HydrophobicContact CD2-CB 4.32Å; F547-A559 HydrophobicContact CE2-CB 4.28Å; F547-Y562 HydrophobicContact CB-CD1 3.88Å; F547-Y562 HydrophobicContact CB-CE1 3.96Å; F547-L563 HydrophobicContact CD2-CD1 4.18Å; F547-L563 HydrophobicContact CD2-CD2 3.89Å; F547-L563 HydrophobicContact CD2-CG 3.96Å; F547-L563 HydrophobicContact CE2-CD1 3.7Å; F547-L563 HydrophobicContact CE2-CD2 4.15Å; F547-L563 HydrophobicContact CE2-CG 4.01Å; F547-L563 HydrophobicContact CZ-CD1 4.49Å; F547-M575 HydrophobicContact CB-CE 3.38Å; F547-M575 HydrophobicContact CD1-CB 4.03Å; F547-M575 HydrophobicContact CD1-CE 3.66Å; F547-M575 HydrophobicContact CD1-CG 3.98Å; F547-M575 HydrophobicContact CD2-CB 4.45Å; F547-M575 HydrophobicContact CD2-CE 4.15Å; F547-M575 HydrophobicContact CE1-CB 3.69Å; F547-M575 HydrophobicContact CE1-CG 3.99Å; F547-M575 HydrophobicContact CE2-CB 4.15Å; F547-M575 HydrophobicContact CG-CB 4.41Å; F547-M575 HydrophobicContact CG-CE 3.44Å; F547-M575 VanDerWaalsContact CG-CE 3.44Å; F547-M575 HydrophobicContact CZ-CB 3.76Å; F547-M575 WeakPolarHBondContact CZ-O 3.41Å; F547-Q578 HydrophobicContact CE1-CB 4.42Å; F547-Q578 HydrophobicContact CE1-CG 4.44Å; F547-Q578 HydrophobicContact CZ-CB 4.38Å; F547-L579 HydrophobicContact CE2-CB 4.1Å; F547-L579 HydrophobicContact CZ-CB 4.13Å
548	Q	76.9	Confident	72.3	Confident	65 Å²	65	54.9 Å²	54.9	30%	0.304	26%	0.26	S	S	.	.	H	α-helix	trans	-62.4	-40.8	-177	-178.7	60	25.1	0	0	111.2	M544 V545 A550 I551 E552	M544-Q548 VanDerWaalsContact O-CB 3.3Å; M544-Q548 WeakPolarHBondContact O-CB 3.13Å; M544-Q548 PolarHBondContact O-N 2.89Å; V545-Q548 PolarHBondContact O-N 3.35Å; Q548-A550 PolarHBondContact O-N 2.77Å; Q548-I551 PolarHBondContact O-N 2.88Å; Q548-E552 WeakPolarHBondContact CG-OE1 3.33Å; Q548-E552 PolarHBondContact NE2-OE1 2.76Å; Q548-E552 WeakPolarHBondContact O-CG 3.5Å; Q548-E552 PolarHBondContact O-N 2.91Å
549	T	77.7	Confident	73.9	Confident	5 Å²	5	49.4 Å²	49.4	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-56.1	-49.3	171.5	-60.6	0	0	0	0	111.7	R433 G496 V545 F547 I551 E552 D553	R433-T549 PolarHBondContact NH2-O 3.41Å; G496-T549 WeakPolarHBondContact O-CG2 3.35Å; V545-T549 VanDerWaalsContact O-CB 3.25Å; V545-T549 WeakPolarHBondContact O-CB 3.27Å; V545-T549 PolarHBondContact O-N 2.65Å; V545-T549 PolarHBondContact O-OG1 3.13Å; F547-T549 VanDerWaalsContact C-N 3.31Å; F547-T549 PolarHBondContact O-N 2.73Å; T549-I551 VanDerWaalsContact C-N 3.31Å; T549-I551 PolarHBondContact O-N 3.22Å; T549-E552 PolarHBondContact O-N 2.91Å; T549-D553 PolarHBondContact O-N 3.1Å
550	A	82	Confident	75.6	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-33.1	-178.8	0	0	0	0	0	112.8	E546 F547 Q548 K554 D555 R558 A559	E546-A550 WeakPolarHBondContact O-CB 3.35Å; E546-A550 PolarHBondContact O-N 2.94Å; E546-A550 VanDerWaalsContact O-N 3.13Å; F547-A550 PolarHBondContact O-N 2.88Å; F547-A550 VanDerWaalsContact O-N 3.12Å; Q548-A550 PolarHBondContact O-N 2.77Å; A550-K554 PolarHBondContact O-N 3.16Å; A550-D555 PolarHBondContact O-N 2.67Å; A550-R558 HydrophobicContact CB-CB 3.98Å; A550-R558 HydrophobicContact CB-CG 3.89Å; A550-A559 HydrophobicContact CB-CB 3.87Å
551	I	83.7	Confident	77.1	Confident	10 Å²	10	48.8 Å²	48.8	5%	0.051	24%	0.24	C	C	.	.	H	α-helix	trans	-66.1	-46.1	172.5	-69.3	-67.9	0	0	0	111.2	F547 Q548 T549 D553 K554 A559 L579 V582	F547-I551 HydrophobicContact CD1-CG1 4.31Å; F547-I551 HydrophobicContact CD2-CG1 4.25Å; F547-I551 HydrophobicContact CE1-CD1 4.45Å; F547-I551 HydrophobicContact CE1-CG1 3.81Å; F547-I551 HydrophobicContact CE2-CD1 3.83Å; F547-I551 HydrophobicContact CE2-CG1 3.73Å; F547-I551 HydrophobicContact CZ-CD1 3.66Å; F547-I551 HydrophobicContact CZ-CG1 3.48Å; F547-I551 VanDerWaalsContact CZ-CG1 3.48Å; F547-I551 WeakPolarHBondContact O-CG1 3.33Å; F547-I551 PolarHBondContact O-N 2.94Å; Q548-I551 PolarHBondContact O-N 2.88Å; T549-I551 VanDerWaalsContact C-N 3.31Å; T549-I551 PolarHBondContact O-N 3.22Å; I551-D553 VanDerWaalsContact C-N 3.34Å; I551-D553 PolarHBondContact O-N 2.92Å; I551-K554 PolarHBondContact O-N 2.83Å; I551-K554 VanDerWaalsContact O-N 3.08Å; I551-A559 HydrophobicContact CD1-CB 4.42Å; I551-L579 HydrophobicContact CD1-CB 4.03Å; I551-L579 HydrophobicContact CD1-CD1 3.57Å; I551-L579 HydrophobicContact CD1-CG 4.4Å; I551-V582 HydrophobicContact CG2-CB 4.46Å; I551-V582 HydrophobicContact CG2-CG1 4.31Å; I551-V582 HydrophobicContact CG2-CG2 4.02Å
552	E	78.2	Confident	78.3	Confident	78 Å²	78	45.9 Å²	45.9	36%	0.364	22%	0.222	S	C	.	.	H	α-helix	trans	-65.2	-34.4	178.9	-74	167.8	-174.2	0	0	113.1	R433 I436 Q548 T549 K554	R433-E552 IonicContact NH2-OE2 3.54Å; I436-E552 WeakPolarHBondContact CD1-O 3.43Å; I436-E552 WeakPolarHBondContact CG1-O 3.49Å; Q548-E552 WeakPolarHBondContact CG-OE1 3.33Å; Q548-E552 PolarHBondContact NE2-OE1 2.76Å; Q548-E552 WeakPolarHBondContact O-CG 3.5Å; Q548-E552 PolarHBondContact O-N 2.91Å; T549-E552 PolarHBondContact O-N 2.91Å; E552-K554 PolarHBondContact O-N 3.48Å
553	D	76.9	Confident	79.6	Confident	32 Å²	32	44.1 Å²	44.1	17%	0.171	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.6	174.2	-69.4	-15.5	0	0	0	113	R433 T549 I551 D555 R558	R433-D553 IonicContact CZ-OD1 2.71Å; R433-D553 IonicContact CZ-OD2 3.41Å; R433-D553 VanDerWaalsContact NE-CG 3.26Å; R433-D553 IonicContact NE-OD1 3.92Å; R433-D553 PolarHBondContact NE-OD1 3.03Å; R433-D553 IonicContact NE-OD2 3.06Å; R433-D553 PolarHBondContact NE-OD2 3.31Å; R433-D553 IonicContact NH2-OD1 3.25Å; R433-D553 PolarHBondContact NH2-OD1 2.79Å; R433-D553 IonicContact NH2-OD2 3.78Å; T549-D553 PolarHBondContact O-N 3.1Å; I551-D553 VanDerWaalsContact C-N 3.34Å; I551-D553 PolarHBondContact O-N 2.92Å; D553-D555 HydrophobicContact CB-CB 4.4Å; D553-D555 PolarHBondContact O-N 3.42Å; D553-R558 IonicContact OD2-NH1 2.67Å
554	K	77.9	Confident	80.6	Confident	83 Å²	83	47 Å²	47	36%	0.361	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	27.3	-162	-68.4	-178.2	-177.1	178.5	0	113.1	I436 A550 I551 E552 F556 A586	I436-K554 HydrophobicContact CD1-CD 3.95Å; I436-K554 HydrophobicContact CD1-CG 3.85Å; I436-K554 HydrophobicContact CG1-CB 4.29Å; I436-K554 HydrophobicContact CG1-CD 3.86Å; I436-K554 HydrophobicContact CG1-CG 3.84Å; I436-K554 HydrophobicContact CG2-CD 3.96Å; A550-K554 PolarHBondContact O-N 3.16Å; I551-K554 PolarHBondContact O-N 2.83Å; I551-K554 VanDerWaalsContact O-N 3.08Å; E552-K554 PolarHBondContact O-N 3.48Å; K554-F556 HydrophobicContact CB-CD2 4.45Å; K554-F556 HydrophobicContact CB-CE2 3.81Å; K554-F556 HydrophobicContact CB-CZ 3.86Å; K554-F556 HydrophobicContact CD-CE2 4.5Å; K554-F556 HydrophobicContact CD-CZ 4.24Å; K554-F556 HydrophobicContact CG-CE2 4.26Å; K554-F556 HydrophobicContact CG-CZ 3.86Å; K554-F556 WeakPolarHBondContact O-CD2 3.4Å; K554-F556 PolarHBondContact O-N 3Å; K554-A586 HydrophobicContact CD-CB 4.28Å
555	D	81.4	Confident	81.3	Confident	69 Å²	69	46 Å²	46	37%	0.369	24%	0.236	S	C	.	.			trans	-78.2	74.1	166.4	-167.4	-13.8	0	0	0	109.8	A550 D553 K557 R558 A559	A550-D555 PolarHBondContact O-N 2.67Å; D553-D555 HydrophobicContact CB-CB 4.4Å; D553-D555 PolarHBondContact O-N 3.42Å; D555-K557 PolarHBondContact O-N 2.68Å; D555-K557 VanDerWaalsContact O-N 3.11Å; D555-K557 WeakPolarHBondContact OD1-CB 3.37Å; D555-K557 PolarHBondContact OD1-N 3.07Å; D555-K557 VanDerWaalsContact OD1-N 3.1Å; D555-R558 HydrophobicContact CB-CB 3.92Å; D555-R558 PolarHBondContact O-N 3Å; D555-R558 VanDerWaalsContact O-N 3.15Å; D555-R558 PolarHBondContact OD1-N 3Å; D555-R558 WeakPolarHBondContact OD2-CB 3.2Å; D555-A559 PolarHBondContact O-N 3.31Å
556	F	87.1	Confident	81.8	Confident	20 Å²	20	45.7 Å²	45.7	9%	0.088	23%	0.234	C	C	.	.	H	α-helix	trans	-56.8	-24.8	176.7	-60.2	-62	0	0	0	113.3	K554 V560 L579 V582 A583 A586 N588 V591	K554-F556 HydrophobicContact CB-CD2 4.45Å; K554-F556 HydrophobicContact CB-CE2 3.81Å; K554-F556 HydrophobicContact CB-CZ 3.86Å; K554-F556 HydrophobicContact CD-CE2 4.5Å; K554-F556 HydrophobicContact CD-CZ 4.24Å; K554-F556 HydrophobicContact CG-CE2 4.26Å; K554-F556 HydrophobicContact CG-CZ 3.86Å; K554-F556 WeakPolarHBondContact O-CD2 3.4Å; K554-F556 PolarHBondContact O-N 3Å; F556-V560 WeakPolarHBondContact O-CB 3.32Å; F556-V560 VanDerWaalsContact O-CG2 3.24Å; F556-V560 WeakPolarHBondContact O-CG2 3.35Å; F556-V560 PolarHBondContact O-N 2.84Å; F556-L579 HydrophobicContact CD1-CD1 3.85Å; F556-V582 HydrophobicContact CE1-CG1 4.08Å; F556-V582 HydrophobicContact CZ-CG1 4.43Å; F556-A583 HydrophobicContact CD1-CB 4.25Å; F556-A583 HydrophobicContact CE1-CB 4.08Å; F556-A586 HydrophobicContact CE2-CB 3.87Å; F556-A586 HydrophobicContact CZ-CB 3.51Å; F556-N588 HydrophobicContact CD2-CB 4.3Å; F556-N588 WeakPolarHBondContact CD2-ND2 3.46Å; F556-N588 HydrophobicContact CE2-CB 4.25Å; F556-V591 HydrophobicContact CB-CB 4.41Å; F556-V591 HydrophobicContact CB-CG1 4.12Å; F556-V591 HydrophobicContact CB-CG2 3.96Å; F556-V591 HydrophobicContact CD1-CG1 4.44Å
557	K	84.9	Confident	81.6	Confident	164 Å²	164	50.2 Å²	50.2	71%	0.713	26%	0.264	S	S	*	.	H	α-helix	trans	-77.5	-43.2	178.3	-68.2	178.7	-178.6	171.9	0	110.9	D555 A559 V560 T561	D555-K557 PolarHBondContact O-N 2.68Å; D555-K557 VanDerWaalsContact O-N 3.11Å; D555-K557 WeakPolarHBondContact OD1-CB 3.37Å; D555-K557 PolarHBondContact OD1-N 3.07Å; D555-K557 VanDerWaalsContact OD1-N 3.1Å; K557-A559 VanDerWaalsContact C-N 3.34Å; K557-V560 PolarHBondContact O-N 3.46Å; K557-T561 WeakPolarHBondContact O-CB 3.44Å; K557-T561 PolarHBondContact O-N 2.88Å; K557-T561 PolarHBondContact O-OG1 3.45Å
558	R	84.4	Confident	81.1	Confident	67 Å²	67	53.9 Å²	53.9	25%	0.253	30%	0.302	S	S	.	.	H	α-helix	trans	-58.4	-48.1	171.3	-174.7	178.2	178.8	-162.5	-4.4	110.1	E546 A550 D553 D555 V560 T561 Y562	E546-R558 IonicContact OE1-CZ 3.58Å; E546-R558 IonicContact OE1-NE 3.64Å; E546-R558 PolarHBondContact OE1-NE 2.83Å; E546-R558 IonicContact OE1-NH2 2.77Å; E546-R558 PolarHBondContact OE1-NH2 3.39Å; E546-R558 IonicContact OE2-CZ 3.58Å; E546-R558 IonicContact OE2-NH2 2.69Å; E546-R558 PolarHBondContact OE2-NH2 3.31Å; A550-R558 HydrophobicContact CB-CB 3.98Å; A550-R558 HydrophobicContact CB-CG 3.89Å; D553-R558 IonicContact OD2-NH1 2.67Å; D555-R558 HydrophobicContact CB-CB 3.92Å; D555-R558 PolarHBondContact O-N 3Å; D555-R558 VanDerWaalsContact O-N 3.15Å; D555-R558 PolarHBondContact OD1-N 3Å; D555-R558 WeakPolarHBondContact OD2-CB 3.2Å; R558-V560 PolarHBondContact O-N 2.75Å; R558-T561 PolarHBondContact O-N 2.8Å; R558-Y562 WeakPolarHBondContact O-CB 3.4Å; R558-Y562 PolarHBondContact O-N 2.84Å
559	A	86.1	Confident	80.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.2	-47.4	176.6	0	0	0	0	0	113.4	F547 A550 I551 D555 K557 Y562 L563 L579	F547-A559 HydrophobicContact CD2-CB 4.32Å; F547-A559 HydrophobicContact CE2-CB 4.28Å; A550-A559 HydrophobicContact CB-CB 3.87Å; I551-A559 HydrophobicContact CD1-CB 4.42Å; D555-A559 PolarHBondContact O-N 3.31Å; K557-A559 VanDerWaalsContact C-N 3.34Å; A559-Y562 PolarHBondContact O-N 3.44Å; A559-L563 WeakPolarHBondContact O-CG 3.31Å; A559-L563 PolarHBondContact O-N 2.74Å; A559-L579 HydrophobicContact CB-CD1 3.85Å; A559-L579 HydrophobicContact CB-CD2 4.38Å
560	V	87.4	Confident	80.5	Confident	20 Å²	20	62.2 Å²	62.2	12%	0.121	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-49.2	176.2	166.8	0	0	0	0	111.6	F556 K557 R558 Y562 L563 E564 W576 L579 V591 R594	F556-V560 WeakPolarHBondContact O-CB 3.32Å; F556-V560 VanDerWaalsContact O-CG2 3.24Å; F556-V560 WeakPolarHBondContact O-CG2 3.35Å; F556-V560 PolarHBondContact O-N 2.84Å; K557-V560 PolarHBondContact O-N 3.46Å; R558-V560 PolarHBondContact O-N 2.75Å; V560-Y562 PolarHBondContact O-N 3.3Å; V560-L563 PolarHBondContact O-N 3.45Å; V560-E564 HydrophobicContact CG1-CG 4.17Å; V560-E564 WeakPolarHBondContact O-CB 3.5Å; V560-E564 WeakPolarHBondContact O-CG 3.44Å; V560-E564 PolarHBondContact O-N 3.2Å; V560-W576 HydrophobicContact CG1-CH2 4.32Å; V560-W576 HydrophobicContact CG2-CH2 4.48Å; V560-W576 HydrophobicContact CG2-CZ3 4.39Å; V560-L579 HydrophobicContact CG2-CD2 3.82Å; V560-V591 HydrophobicContact CG2-CG1 3.82Å; V560-V591 HydrophobicContact CG2-CG2 4.46Å; V560-R594 HydrophobicContact CG1-CG 4.42Å
561	T	86.2	Confident	80	Confident	99 Å²	99	66.8 Å²	66.8	61%	0.607	37%	0.37	S	S	*	.	H	α-helix	trans	-57.8	-37.2	-179.4	-52.2	0	0	0	0	110.9	K557 R558 G565	K557-T561 WeakPolarHBondContact O-CB 3.44Å; K557-T561 PolarHBondContact O-N 2.88Å; K557-T561 PolarHBondContact O-OG1 3.45Å; R558-T561 PolarHBondContact O-N 2.8Å; T561-G565 PolarHBondContact O-N 2.96Å
562	Y	82.5	Confident	80	Confident	44 Å²	44	67.1 Å²	67.1	17%	0.173	37%	0.373	C	S	.	.	H	α-helix	trans	-69.6	-49.5	178.3	-169.2	-107.4	0	0	0	112.8	E542 N543 E546 F547 R558 A559 V560 E564 G565 L566 M575	E542-Y562 VanDerWaalsContact C-OH 3.22Å; E542-Y562 PolarHBondContact O-OH 2.88Å; N543-Y562 WeakPolarHBondContact CA-OH 3.36Å; N543-Y562 PolarHBondContact N-OH 3.11Å; N543-Y562 WeakPolarHBondContact O-CE1 3.21Å; E546-Y562 HydrophobicContact CB-CD2 4.11Å; E546-Y562 HydrophobicContact CB-CE1 4.09Å; E546-Y562 HydrophobicContact CB-CE2 3.64Å; E546-Y562 HydrophobicContact CG-CD2 3.49Å; E546-Y562 VanDerWaalsContact CG-CD2 3.49Å; E546-Y562 HydrophobicContact CG-CE1 4.46Å; E546-Y562 HydrophobicContact CG-CE2 3.47Å; E546-Y562 VanDerWaalsContact CG-CE2 3.47Å; E546-Y562 HydrophobicContact CG-CG 4.03Å; F547-Y562 HydrophobicContact CB-CD1 3.88Å; F547-Y562 HydrophobicContact CB-CE1 3.96Å; R558-Y562 WeakPolarHBondContact O-CB 3.4Å; R558-Y562 PolarHBondContact O-N 2.84Å; A559-Y562 PolarHBondContact O-N 3.44Å; V560-Y562 PolarHBondContact O-N 3.3Å; Y562-E564 VanDerWaalsContact C-N 3.31Å; Y562-E564 PolarHBondContact O-N 2.88Å; Y562-G565 PolarHBondContact O-N 3.17Å; Y562-L566 HydrophobicContact CD1-CD1 3.86Å; Y562-L566 HydrophobicContact CE1-CD1 3.43Å; Y562-L566 VanDerWaalsContact CE1-CD1 3.43Å; Y562-L566 HydrophobicContact CE1-CG 4.44Å; Y562-L566 PolarHBondContact O-N 2.91Å; Y562-M575 HydrophobicContact CE1-CE 4.43Å
563	L	85.8	Confident	80.2	Confident	4 Å²	4	66 Å²	66	2%	0.021	38%	0.377	C	S	.	.	H	α-helix	trans	-65.9	-31	176.8	-67.5	-176.3	0	0	0	113.3	F547 A559 V560 G565 L566 M575 W576 L579	F547-L563 HydrophobicContact CD2-CD1 4.18Å; F547-L563 HydrophobicContact CD2-CD2 3.89Å; F547-L563 HydrophobicContact CD2-CG 3.96Å; F547-L563 HydrophobicContact CE2-CD1 3.7Å; F547-L563 HydrophobicContact CE2-CD2 4.15Å; F547-L563 HydrophobicContact CE2-CG 4.01Å; F547-L563 HydrophobicContact CZ-CD1 4.49Å; A559-L563 WeakPolarHBondContact O-CG 3.31Å; A559-L563 PolarHBondContact O-N 2.74Å; V560-L563 PolarHBondContact O-N 3.45Å; L563-G565 VanDerWaalsContact C-N 3.26Å; L563-G565 PolarHBondContact O-N 2.87Å; L563-L566 PolarHBondContact O-N 2.91Å; L563-M575 HydrophobicContact CD1-CB 4.32Å; L563-M575 HydrophobicContact CD2-CB 3.61Å; L563-M575 HydrophobicContact CD2-CE 3.78Å; L563-M575 HydrophobicContact CD2-CG 4.43Å; L563-M575 HydrophobicContact CD2-SD 4.09Å; L563-W576 HydrophobicContact CB-CD2 4.29Å; L563-W576 HydrophobicContact CB-CH2 4.19Å; L563-W576 HydrophobicContact CB-CZ2 3.46Å; L563-W576 VanDerWaalsContact CB-CZ2 3.46Å; L563-W576 HydrophobicContact CD1-CB 4.47Å; L563-W576 HydrophobicContact CD1-CD2 3.59Å; L563-W576 HydrophobicContact CD1-CE3 4.01Å; L563-W576 HydrophobicContact CD1-CG 3.82Å; L563-W576 HydrophobicContact CD1-CZ2 4.22Å; L563-W576 HydrophobicContact CD1-CZ3 4.47Å; L563-L579 HydrophobicContact CD1-CB 4.38Å; L563-L579 HydrophobicContact CD1-CD2 3.76Å
564	E	85.6	Confident	80.6	Confident	87 Å²	87	67.6 Å²	67.6	41%	0.407	39%	0.391	S	S	.	.	H	α-helix	trans	-68.5	-24.4	172.1	-73.2	-176.6	163.9	0	0	112.5	V560 Y562 W576 R594	V560-E564 HydrophobicContact CG1-CG 4.17Å; V560-E564 WeakPolarHBondContact O-CB 3.5Å; V560-E564 WeakPolarHBondContact O-CG 3.44Å; V560-E564 PolarHBondContact O-N 3.2Å; Y562-E564 VanDerWaalsContact C-N 3.31Å; Y562-E564 PolarHBondContact O-N 2.88Å; E564-W576 HydrophobicContact CG-CH2 4.29Å; E564-W576 HydrophobicContact CG-CZ2 4.2Å; E564-R594 IonicContact OE1-CZ 2.73Å; E564-R594 VanDerWaalsContact OE1-CZ 3.24Å; E564-R594 IonicContact OE1-NE 3.49Å; E564-R594 PolarHBondContact OE1-NE 2.78Å; E564-R594 IonicContact OE1-NH2 3.36Å; E564-R594 PolarHBondContact OE1-NH2 3.07Å
565	G	81.9	Confident	81	Confident	59 Å²	59	63.9 Å²	63.9	61%	0.608	38%	0.375	S	S	*	.	H	α-helix	trans	-77.3	-27.1	171.1	0	0	0	0	0	114	T561 Y562 L563 T567	T561-G565 PolarHBondContact O-N 2.96Å; Y562-G565 PolarHBondContact O-N 3.17Å; L563-G565 VanDerWaalsContact C-N 3.26Å; L563-G565 PolarHBondContact O-N 2.87Å; G565-T567 PolarHBondContact O-N 2.87Å; G565-T567 VanDerWaalsContact O-N 3.14Å
566	L	77.2	Confident	81.3	Confident	20 Å²	20	63.3 Å²	63.3	11%	0.105	37%	0.368	C	S	.	.			trans	-89	59.8	-176.4	-68.2	173.4	0	0	0	113.1	N543 Y562 L563 G568 V572 M575	N543-L566 WeakPolarHBondContact OD1-CD2 3.3Å; Y562-L566 HydrophobicContact CD1-CD1 3.86Å; Y562-L566 HydrophobicContact CE1-CD1 3.43Å; Y562-L566 VanDerWaalsContact CE1-CD1 3.43Å; Y562-L566 HydrophobicContact CE1-CG 4.44Å; Y562-L566 PolarHBondContact O-N 2.91Å; L563-L566 PolarHBondContact O-N 2.91Å; L566-G568 PolarHBondContact O-N 3.31Å; L566-V572 HydrophobicContact CB-CG2 3.67Å; L566-V572 HydrophobicContact CD1-CG2 4.48Å; L566-V572 WeakPolarHBondContact O-CG2 3.28Å; L566-M575 HydrophobicContact CD1-CE 4.33Å
567	T	69.4	Low	81.4	Confident	129 Å²	129	70.8 Å²	70.8	79%	0.791	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	102.5	174.9	58.8	0	0	0	0	111.6	G565	G565-T567 PolarHBondContact O-N 2.87Å; G565-T567 VanDerWaalsContact O-N 3.14Å
568	G	69.3	Low	81.6	Confident	77 Å²	77	66.1 Å²	66.1	79%	0.794	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	122.7	-6.4	167.8	0	0	0	0	0	116.6	L566	L566-G568 PolarHBondContact O-N 3.31Å
569	H	70.4	Confident	81.9	Confident	104 Å²	104	63 Å²	63	48%	0.481	36%	0.364	S	S	.	.			trans	-74.6	141.6	174.2	-78.1	-102.9	0	0	0	111.7	N543 E571 V572	N543-H569 PolarHBondContact ND2-CE1 3.42Å; N543-H569 VanDerWaalsContact ND2-CE1 3.3Å; H569-E571 VanDerWaalsContact C-N 3.27Å; H569-E571 PolarHBondContact O-N 3.29Å; H569-V572 HydrophobicContact CB-CG2 3.69Å; H569-V572 WeakPolarHBondContact O-CB 3.19Å; H569-V572 PolarHBondContact O-N 2.83Å
570	V	72.2	Confident	82.1	Confident	140 Å²	140	64.1 Å²	64.1	85%	0.848	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-33.2	-175.1	-179.3	0	0	0	0	112.3
571	E	72.7	Confident	82.2	Confident	96 Å²	96	69 Å²	69	45%	0.449	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-15.9	-172.9	-59.9	-178.6	167.4	0	0	113.9	H569 A573 S574 M575	H569-E571 VanDerWaalsContact C-N 3.27Å; H569-E571 PolarHBondContact O-N 3.29Å; E571-A573 VanDerWaalsContact C-N 3.25Å; E571-A573 PolarHBondContact O-N 3.27Å; E571-S574 WeakPolarHBondContact O-CA 3.14Å; E571-S574 WeakPolarHBondContact O-CB 3.2Å; E571-S574 PolarHBondContact O-N 3.17Å; E571-S574 PolarHBondContact O-OG 2.89Å; E571-M575 HydrophobicContact CB-SD 4.27Å; E571-M575 WeakPolarHBondContact O-CG 3.29Å; E571-M575 PolarHBondContact O-N 2.92Å; E571-M575 VanDerWaalsContact O-N 3.1Å
572	V	82.5	Confident	82.4	Confident	18 Å²	18	65.6 Å²	65.6	11%	0.109	37%	0.374	C	S	.	.	H	α-helix	trans	-59.5	-36.2	-174.4	170.7	0	0	0	0	111.7	L566 H569 S574 M575 W576	L566-V572 HydrophobicContact CB-CG2 3.67Å; L566-V572 HydrophobicContact CD1-CG2 4.48Å; L566-V572 WeakPolarHBondContact O-CG2 3.28Å; H569-V572 HydrophobicContact CB-CG2 3.69Å; H569-V572 WeakPolarHBondContact O-CB 3.19Å; H569-V572 PolarHBondContact O-N 2.83Å; V572-S574 VanDerWaalsContact C-N 3.3Å; V572-S574 PolarHBondContact O-N 3.31Å; V572-M575 HydrophobicContact CG2-SD 4.5Å; V572-M575 PolarHBondContact O-N 2.92Å; V572-W576 VanDerWaalsContact CG1-CD1 3.49Å; V572-W576 PolarHBondContact O-N 3.2Å
573	A	83.2	Confident	82.7	Confident	55 Å²	55	63.5 Å²	63.5	46%	0.455	37%	0.366	S	S	.	.	H	α-helix	trans	-66.5	-27.4	176.4	0	0	0	0	0	113.7	E571 R577	E571-A573 VanDerWaalsContact C-N 3.25Å; E571-A573 PolarHBondContact O-N 3.27Å; A573-R577 WeakPolarHBondContact O-CG 3.29Å; A573-R577 PolarHBondContact O-NH1 3.32Å
574	S	84.1	Confident	82.8	Confident	65 Å²	65	68.2 Å²	68.2	46%	0.455	39%	0.391	S	S	.	.	H	α-helix	trans	-75.4	-44.2	170.8	4	0	0	0	0	110.9	E571 V572 W576 R577 Q578	E571-S574 WeakPolarHBondContact O-CA 3.14Å; E571-S574 WeakPolarHBondContact O-CB 3.2Å; E571-S574 PolarHBondContact O-N 3.17Å; E571-S574 PolarHBondContact O-OG 2.89Å; V572-S574 VanDerWaalsContact C-N 3.3Å; V572-S574 PolarHBondContact O-N 3.31Å; S574-W576 PolarHBondContact O-N 3.06Å; S574-R577 WeakPolarHBondContact O-CB 3.44Å; S574-R577 PolarHBondContact O-N 3.43Å; S574-R577 VanDerWaalsContact O-N 3.1Å; S574-Q578 PolarHBondContact O-N 2.93Å
575	M	86.2	Confident	82.9	Confident	5 Å²	5	70.8 Å²	70.8	3%	0.025	40%	0.403	C	S	.	.	H	α-helix	trans	-63.3	-42.2	-178.9	-59.6	159.1	82.5	0	0	111.6	N543 F547 Y562 L563 L566 E571 V572 R577 Q578 L579	N543-M575 WeakPolarHBondContact O-CE 3.43Å; F547-M575 HydrophobicContact CB-CE 3.38Å; F547-M575 HydrophobicContact CD1-CB 4.03Å; F547-M575 HydrophobicContact CD1-CE 3.66Å; F547-M575 HydrophobicContact CD1-CG 3.98Å; F547-M575 HydrophobicContact CD2-CB 4.45Å; F547-M575 HydrophobicContact CD2-CE 4.15Å; F547-M575 HydrophobicContact CE1-CB 3.69Å; F547-M575 HydrophobicContact CE1-CG 3.99Å; F547-M575 HydrophobicContact CE2-CB 4.15Å; F547-M575 HydrophobicContact CG-CB 4.41Å; F547-M575 HydrophobicContact CG-CE 3.44Å; F547-M575 VanDerWaalsContact CG-CE 3.44Å; F547-M575 HydrophobicContact CZ-CB 3.76Å; F547-M575 WeakPolarHBondContact CZ-O 3.41Å; Y562-M575 HydrophobicContact CE1-CE 4.43Å; L563-M575 HydrophobicContact CD1-CB 4.32Å; L563-M575 HydrophobicContact CD2-CB 3.61Å; L563-M575 HydrophobicContact CD2-CE 3.78Å; L563-M575 HydrophobicContact CD2-CG 4.43Å; L563-M575 HydrophobicContact CD2-SD 4.09Å; L566-M575 HydrophobicContact CD1-CE 4.33Å; E571-M575 HydrophobicContact CB-SD 4.27Å; E571-M575 WeakPolarHBondContact O-CG 3.29Å; E571-M575 PolarHBondContact O-N 2.92Å; E571-M575 VanDerWaalsContact O-N 3.1Å; V572-M575 HydrophobicContact CG2-SD 4.5Å; V572-M575 PolarHBondContact O-N 2.92Å; M575-R577 VanDerWaalsContact C-N 3.31Å; M575-R577 PolarHBondContact O-N 3.23Å; M575-Q578 PolarHBondContact O-N 3.11Å; M575-L579 WeakPolarHBondContact O-CB 3.36Å; M575-L579 PolarHBondContact O-N 2.99Å
576	W	89.3	Confident	83.1	Confident	57 Å²	57	69.6 Å²	69.6	22%	0.216	39%	0.387	C	S	.	.	H	α-helix	trans	-58.4	-38.8	172	-82.2	107.7	0	0	0	112.9	V560 L563 E564 V572 S574 L579 A580 R594	V560-W576 HydrophobicContact CG1-CH2 4.32Å; V560-W576 HydrophobicContact CG2-CH2 4.48Å; V560-W576 HydrophobicContact CG2-CZ3 4.39Å; L563-W576 HydrophobicContact CB-CD2 4.29Å; L563-W576 HydrophobicContact CB-CH2 4.19Å; L563-W576 HydrophobicContact CB-CZ2 3.46Å; L563-W576 VanDerWaalsContact CB-CZ2 3.46Å; L563-W576 HydrophobicContact CD1-CB 4.47Å; L563-W576 HydrophobicContact CD1-CD2 3.59Å; L563-W576 HydrophobicContact CD1-CE3 4.01Å; L563-W576 HydrophobicContact CD1-CG 3.82Å; L563-W576 HydrophobicContact CD1-CZ2 4.22Å; L563-W576 HydrophobicContact CD1-CZ3 4.47Å; E564-W576 HydrophobicContact CG-CH2 4.29Å; E564-W576 HydrophobicContact CG-CZ2 4.2Å; V572-W576 VanDerWaalsContact CG1-CD1 3.49Å; V572-W576 PolarHBondContact O-N 3.2Å; S574-W576 PolarHBondContact O-N 3.06Å; W576-L579 HydrophobicContact CE3-CD2 4.01Å; W576-L579 HydrophobicContact CZ3-CD2 3.94Å; W576-L579 PolarHBondContact O-N 3.23Å; W576-A580 WeakPolarHBondContact O-CB 3.43Å; W576-A580 PolarHBondContact O-N 3.31Å; W576-R594 HydrophobicContact CH2-CG 4.07Å; W576-R594 HydrophobicContact CZ3-CB 4.32Å; W576-R594 HydrophobicContact CZ3-CG 3.93Å
577	R	89.3	Confident	83.5	Confident	176 Å²	176	76.8 Å²	76.8	66%	0.664	42%	0.42	S	S	*	.	H	α-helix	trans	-67	-41.6	176	-68.6	-178.4	-166.2	110.6	-2.9	112	A573 S574 M575 A580 Q581	A573-R577 WeakPolarHBondContact O-CG 3.29Å; A573-R577 PolarHBondContact O-NH1 3.32Å; S574-R577 WeakPolarHBondContact O-CB 3.44Å; S574-R577 PolarHBondContact O-N 3.43Å; S574-R577 VanDerWaalsContact O-N 3.1Å; M575-R577 VanDerWaalsContact C-N 3.31Å; M575-R577 PolarHBondContact O-N 3.23Å; R577-A580 PolarHBondContact O-N 3.38Å; R577-Q581 WeakPolarHBondContact O-CB 3.48Å; R577-Q581 PolarHBondContact O-N 2.87Å
578	Q	88.6	Confident	84.3	Confident	67 Å²	67	72.8 Å²	72.8	31%	0.313	39%	0.394	S	S	.	.	H	α-helix	trans	-62.8	-45.4	175.4	-175.8	-179.5	-13.2	0	0	110.9	F547 S574 M575 Q581 V582	F547-Q578 HydrophobicContact CE1-CB 4.42Å; F547-Q578 HydrophobicContact CE1-CG 4.44Å; F547-Q578 HydrophobicContact CZ-CB 4.38Å; S574-Q578 PolarHBondContact O-N 2.93Å; M575-Q578 PolarHBondContact O-N 3.11Å; Q578-Q581 PolarHBondContact O-N 3.3Å; Q578-V582 WeakPolarHBondContact O-CG2 3.45Å; Q578-V582 PolarHBondContact O-N 3.43Å
579	L	90.4	Very high	85.1	Confident	1 Å²	1	74.7 Å²	74.7	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-58.5	-48.4	174.8	176.9	60.5	0	0	0	111.7	F547 I551 F556 A559 V560 L563 M575 W576 Q581 V582 A583 V591	F547-L579 HydrophobicContact CE2-CB 4.1Å; F547-L579 HydrophobicContact CZ-CB 4.13Å; I551-L579 HydrophobicContact CD1-CB 4.03Å; I551-L579 HydrophobicContact CD1-CD1 3.57Å; I551-L579 HydrophobicContact CD1-CG 4.4Å; F556-L579 HydrophobicContact CD1-CD1 3.85Å; A559-L579 HydrophobicContact CB-CD1 3.85Å; A559-L579 HydrophobicContact CB-CD2 4.38Å; V560-L579 HydrophobicContact CG2-CD2 3.82Å; L563-L579 HydrophobicContact CD1-CB 4.38Å; L563-L579 HydrophobicContact CD1-CD2 3.76Å; M575-L579 WeakPolarHBondContact O-CB 3.36Å; M575-L579 PolarHBondContact O-N 2.99Å; W576-L579 HydrophobicContact CE3-CD2 4.01Å; W576-L579 HydrophobicContact CZ3-CD2 3.94Å; W576-L579 PolarHBondContact O-N 3.23Å; L579-Q581 PolarHBondContact O-N 2.72Å; L579-Q581 VanDerWaalsContact C-N 3.35Å; L579-V582 PolarHBondContact O-N 2.83Å; L579-A583 WeakPolarHBondContact O-CB 3.42Å; L579-A583 PolarHBondContact O-N 2.81Å; L579-V591 HydrophobicContact CD1-CG1 3.93Å; L579-V591 HydrophobicContact CD2-CG1 4.19Å; L579-V591 HydrophobicContact CG-CG1 4Å
580	A	90.1	Very high	85.9	Confident	24 Å²	24	76.1 Å²	76.1	20%	0.198	40%	0.396	C	S	.	.	H	α-helix	trans	-60.9	-42.1	178.2	0	0	0	0	0	112.1	W576 R577 A583 L584	W576-A580 WeakPolarHBondContact O-CB 3.43Å; W576-A580 PolarHBondContact O-N 3.31Å; R577-A580 PolarHBondContact O-N 3.38Å; A580-A583 PolarHBondContact O-N 3.37Å; A580-L584 WeakPolarHBondContact O-CB 3.49Å; A580-L584 VanDerWaalsContact O-CG 3.25Å; A580-L584 WeakPolarHBondContact O-CG 3.49Å; A580-L584 PolarHBondContact O-N 2.79Å
581	Q	90.1	Very high	86.6	Confident	121 Å²	121	70.3 Å²	70.3	57%	0.565	36%	0.361	S	S	*	.	H	α-helix	trans	-64.2	-45.3	177.6	-175.8	175.2	-7.8	0	0	112.4	R577 Q578 L579 L584 Q585	R577-Q581 WeakPolarHBondContact O-CB 3.48Å; R577-Q581 PolarHBondContact O-N 2.87Å; Q578-Q581 PolarHBondContact O-N 3.3Å; L579-Q581 PolarHBondContact O-N 2.72Å; L579-Q581 VanDerWaalsContact C-N 3.35Å; Q581-L584 PolarHBondContact O-N 2.96Å; Q581-Q585 WeakPolarHBondContact O-CG 3.35Å; Q581-Q585 VanDerWaalsContact O-N 3.1Å; Q581-Q585 PolarHBondContact O-N 2.9Å
582	V	88.7	Confident	87.4	Confident	28 Å²	28	66.8 Å²	66.8	17%	0.17	35%	0.349	C	S	.	.	H	α-helix	trans	-71.5	-36	178.7	-180	0	0	0	0	111.3	I551 F556 Q578 L579 Q585 A586	I551-V582 HydrophobicContact CG2-CB 4.46Å; I551-V582 HydrophobicContact CG2-CG1 4.31Å; I551-V582 HydrophobicContact CG2-CG2 4.02Å; F556-V582 HydrophobicContact CE1-CG1 4.08Å; F556-V582 HydrophobicContact CZ-CG1 4.43Å; Q578-V582 WeakPolarHBondContact O-CG2 3.45Å; Q578-V582 PolarHBondContact O-N 3.43Å; L579-V582 PolarHBondContact O-N 2.83Å; V582-Q585 PolarHBondContact O-N 3.21Å; V582-A586 WeakPolarHBondContact O-CB 3.03Å; V582-A586 PolarHBondContact O-N 3.14Å
583	A	89	Confident	87.6	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-64.8	-39.6	174.4	0	0	0	0	0	112.1	F556 L579 A580 A586 E587 N588 V591 A592	F556-A583 HydrophobicContact CD1-CB 4.25Å; F556-A583 HydrophobicContact CE1-CB 4.08Å; L579-A583 WeakPolarHBondContact O-CB 3.42Å; L579-A583 PolarHBondContact O-N 2.81Å; A580-A583 PolarHBondContact O-N 3.37Å; A583-A586 CarbonylContact O-C 3.6Å; A583-A586 PolarHBondContact O-N 2.8Å; A583-E587 PolarHBondContact O-N 2.79Å; A583-E587 VanDerWaalsContact O-N 3.17Å; A583-N588 HydrophobicContact CB-CB 4.46Å; A583-N588 PolarHBondContact O-N 3.25Å; A583-V591 HydrophobicContact CB-CB 4.11Å; A583-V591 HydrophobicContact CB-CG1 3.94Å; A583-A592 HydrophobicContact CB-CB 4.07Å
584	L	89.2	Confident	87.7	Confident	104 Å²	104	80 Å²	80	55%	0.545	39%	0.392	S	S	.	.	H	α-helix	trans	-62.1	-45.9	172.1	-77.2	168.3	0	0	0	111.9	A580 Q581 A586 E587 L589 A592	A580-L584 WeakPolarHBondContact O-CB 3.49Å; A580-L584 VanDerWaalsContact O-CG 3.25Å; A580-L584 WeakPolarHBondContact O-CG 3.49Å; A580-L584 PolarHBondContact O-N 2.79Å; Q581-L584 PolarHBondContact O-N 2.96Å; L584-A586 PolarHBondContact O-N 3.05Å; L584-E587 PolarHBondContact O-N 3.02Å; L584-E587 VanDerWaalsContact O-N 3.09Å; L584-L589 HydrophobicContact CD2-CD2 4.49Å; L584-A592 HydrophobicContact CD2-CB 3.77Å; L584-A592 HydrophobicContact CG-CB 3.7Å
585	Q	87.9	Confident	87.9	Confident	141 Å²	141	80.7 Å²	80.7	66%	0.659	39%	0.389	S	S	*	.	H	α-helix	trans	-64	-20.4	176.2	-72.2	177.2	-6.3	0	0	113.5	Q581 V582	Q581-Q585 WeakPolarHBondContact O-CG 3.35Å; Q581-Q585 VanDerWaalsContact O-N 3.1Å; Q581-Q585 PolarHBondContact O-N 2.9Å; V582-Q585 PolarHBondContact O-N 3.21Å
586	A	85.8	Confident	88	Confident	34 Å²	34	84.7 Å²	84.7	28%	0.281	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	13.2	175.9	0	0	0	0	0	113.6	K554 F556 V582 A583 L584 N588	K554-A586 HydrophobicContact CD-CB 4.28Å; F556-A586 HydrophobicContact CE2-CB 3.87Å; F556-A586 HydrophobicContact CZ-CB 3.51Å; V582-A586 WeakPolarHBondContact O-CB 3.03Å; V582-A586 PolarHBondContact O-N 3.14Å; A583-A586 CarbonylContact O-C 3.6Å; A583-A586 PolarHBondContact O-N 2.8Å; L584-A586 PolarHBondContact O-N 3.05Å; A586-N588 PolarHBondContact O-N 3.29Å
587	E	85.9	Confident	87.9	Confident	170 Å²	170	86.2 Å²	86.2	79%	0.794	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	16.6	-179.1	-56.6	-175	169.1	0	0	115.1	A583 L584 L589	A583-E587 PolarHBondContact O-N 2.79Å; A583-E587 VanDerWaalsContact O-N 3.17Å; L584-E587 PolarHBondContact O-N 3.02Å; L584-E587 VanDerWaalsContact O-N 3.09Å; E587-L589 VanDerWaalsContact C-N 3.28Å; E587-L589 PolarHBondContact O-N 3.49Å
588	N	85	Confident	87.8	Confident	45 Å²	45	80.9 Å²	80.9	24%	0.241	40%	0.404	C	S	.	.			trans	-85	70.1	179.7	-169.6	-2.7	0	0	0	111.2	F556 A583 A586 N590 V591 A592	F556-N588 HydrophobicContact CD2-CB 4.3Å; F556-N588 WeakPolarHBondContact CD2-ND2 3.46Å; F556-N588 HydrophobicContact CE2-CB 4.25Å; A583-N588 HydrophobicContact CB-CB 4.46Å; A583-N588 PolarHBondContact O-N 3.25Å; A586-N588 PolarHBondContact O-N 3.29Å; N588-N590 PolarHBondContact O-N 3.29Å; N588-N590 VanDerWaalsContact O-N 3.15Å; N588-V591 WeakPolarHBondContact ND2-CG2 3.09Å; N588-V591 PolarHBondContact O-N 3.07Å; N588-A592 PolarHBondContact O-N 3.19Å
589	L	86.8	Confident	87.8	Confident	118 Å²	118	81.8 Å²	81.8	62%	0.618	41%	0.41	S	S	*	.	H	α-helix	trans	-54.7	-34.2	-175.3	-58.6	-179.4	0	0	0	113.6	L584 E587 V591 A592 Q593	L584-L589 HydrophobicContact CD2-CD2 4.49Å; E587-L589 VanDerWaalsContact C-N 3.28Å; E587-L589 PolarHBondContact O-N 3.49Å; L589-V591 VanDerWaalsContact C-N 3.31Å; L589-V591 PolarHBondContact O-N 3.1Å; L589-A592 PolarHBondContact O-N 3Å; L589-Q593 VanDerWaalsContact O-CB 3.31Å; L589-Q593 WeakPolarHBondContact O-CB 3.42Å; L589-Q593 PolarHBondContact O-N 3.02Å
590	N	87.2	Confident	87.6	Confident	133 Å²	133	87.2 Å²	87.2	71%	0.711	44%	0.437	S	S	*	.	H	α-helix	trans	-65.4	-33.8	179.6	-66.3	-51.7	0	0	0	112.8	N588	N588-N590 PolarHBondContact O-N 3.29Å; N588-N590 VanDerWaalsContact O-N 3.15Å
591	V	87.6	Confident	87.4	Confident	18 Å²	18	91.7 Å²	91.7	11%	0.109	45%	0.454	C	S	.	.	H	α-helix	trans	-85.7	-35.2	176.6	174.2	0	0	0	0	110.7	F556 V560 L579 A583 N588 L589 Q593 R594	F556-V591 HydrophobicContact CB-CB 4.41Å; F556-V591 HydrophobicContact CB-CG1 4.12Å; F556-V591 HydrophobicContact CB-CG2 3.96Å; F556-V591 HydrophobicContact CD1-CG1 4.44Å; V560-V591 HydrophobicContact CG2-CG1 3.82Å; V560-V591 HydrophobicContact CG2-CG2 4.46Å; L579-V591 HydrophobicContact CD1-CG1 3.93Å; L579-V591 HydrophobicContact CD2-CG1 4.19Å; L579-V591 HydrophobicContact CG-CG1 4Å; A583-V591 HydrophobicContact CB-CB 4.11Å; A583-V591 HydrophobicContact CB-CG1 3.94Å; N588-V591 WeakPolarHBondContact ND2-CG2 3.09Å; N588-V591 PolarHBondContact O-N 3.07Å; L589-V591 VanDerWaalsContact C-N 3.31Å; L589-V591 PolarHBondContact O-N 3.1Å; V591-Q593 PolarHBondContact O-N 3.01Å; V591-R594 WeakPolarHBondContact O-CB 3.38Å; V591-R594 PolarHBondContact O-N 3.3Å; V591-R594 VanDerWaalsContact O-N 3.13Å
592	A	88	Confident	87.2	Confident	23 Å²	23	89.5 Å²	89.5	19%	0.19	45%	0.445	C	S	.	.	H	α-helix	trans	-65.1	-24.9	174.1	0	0	0	0	0	114	A583 L584 N588 L589	A583-A592 HydrophobicContact CB-CB 4.07Å; L584-A592 HydrophobicContact CD2-CB 3.77Å; L584-A592 HydrophobicContact CG-CB 3.7Å; N588-A592 PolarHBondContact O-N 3.19Å; L589-A592 PolarHBondContact O-N 3Å
593	Q	88.5	Confident	87.1	Confident	172 Å²	172	94.6 Å²	94.6	80%	0.804	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-19	173.9	-177	177.2	5.1	0	0	113.1	L589 V591	L589-Q593 VanDerWaalsContact O-CB 3.31Å; L589-Q593 WeakPolarHBondContact O-CB 3.42Å; L589-Q593 PolarHBondContact O-N 3.02Å; V591-Q593 PolarHBondContact O-N 3.01Å
594	R	84.2	Confident	86.9	Confident	177 Å²	177	103.2 Å²	103.2	67%	0.668	51%	0.511	S	S	*	.			trans	-77.4	0	-175.3	-172.8	62.9	169.2	172.5	0.9	111.3	V560 E564 W576 V591	V560-R594 HydrophobicContact CG1-CG 4.42Å; E564-R594 IonicContact OE1-CZ 2.73Å; E564-R594 VanDerWaalsContact OE1-CZ 3.24Å; E564-R594 IonicContact OE1-NE 3.49Å; E564-R594 PolarHBondContact OE1-NE 2.78Å; E564-R594 IonicContact OE1-NH2 3.36Å; E564-R594 PolarHBondContact OE1-NH2 3.07Å; W576-R594 HydrophobicContact CH2-CG 4.07Å; W576-R594 HydrophobicContact CZ3-CB 4.32Å; W576-R594 HydrophobicContact CZ3-CG 3.93Å; V591-R594 WeakPolarHBondContact O-CB 3.38Å; V591-R594 PolarHBondContact O-N 3.3Å; V591-R594 VanDerWaalsContact O-N 3.13Å

Retrieved 594 of 594 residues in 930.6 ms (Link to these results)

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