A0A077ZIF6_TRITR Loading...

DRBM domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZIF6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 253 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	41.4	Very low	68	Low	231 Å²	231	99.2 Å²	99.2	100%	1.138	50%	0.503	S	S	*	.				0	106.5	0	-62.4	-159.3	-72.6	0	0	106.5
2	D	48.9	Very low	69.5	Low	119 Å²	119	92.1 Å²	92.1	64%	0.636	47%	0.469	S	S	*	.			cis	-129.5	126.7	2.2	-78.9	-32.7	0	0	0	107.7	N4 V5	D2-N4 PolarHBondContact O-N 3.2Å; D2-V5 HydrophobicContact CB-CG2 3.99Å; D2-V5 PolarHBondContact O-N 3.39Å
3	E	52.9	Low	70.9	Confident	200 Å²	200	85.5 Å²	85.5	94%	0.935	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-8.5	175.8	-75.2	179.6	157.9	0	0	112.8
4	N	59.9	Low	71.8	Confident	143 Å²	143	83.8 Å²	83.8	77%	0.765	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	16.6	-176.7	-73.5	-20.5	0	0	0	114.6	D2 I6	D2-N4 PolarHBondContact O-N 3.2Å; N4-I6 PolarHBondContact O-N 3.07Å
5	V	64.3	Low	72.6	Confident	56 Å²	56	82.7 Å²	82.7	34%	0.339	42%	0.42	S	S	.	.			trans	-70.7	108.1	171.9	-179.6	0	0	0	0	108.5	D2 R70 D72	D2-V5 HydrophobicContact CB-CG2 3.99Å; D2-V5 PolarHBondContact O-N 3.39Å; V5-R70 VanDerWaalsContact CG1-NH2 3.25Å; V5-R70 PolarHBondContact O-NH2 2.94Å; V5-D72 WeakPolarHBondContact CG1-O 3.34Å
6	I	74.4	Confident	73.1	Confident	88 Å²	88	77.9 Å²	77.9	45%	0.451	40%	0.396	S	S	.	.			trans	-70.6	127	-175.5	-55.9	171.7	0	0	0	109	N4 T8 S73 R243	N4-I6 PolarHBondContact O-N 3.07Å; I6-T8 PolarHBondContact O-N 2.82Å; I6-S73 WeakPolarHBondContact O-CB 3.36Å; I6-R243 VanDerWaalsContact CD1-NH1 3.29Å; I6-R243 VanDerWaalsContact CG1-NH1 3.33Å
7	I	77.4	Confident	73.5	Confident	38 Å²	38	78.5 Å²	78.5	20%	0.195	40%	0.404	C	S	.	.			trans	-74.7	120.4	171.4	-60.1	154.1	0	0	0	107.7	S73 I75 V245	I7-S73 WeakPolarHBondContact CA-O 3.45Å; I7-I75 HydrophobicContact CD1-CD1 3.4Å; I7-I75 VanDerWaalsContact CD1-CD1 3.4Å; I7-I75 HydrophobicContact CD1-CG1 4.39Å; I7-I75 HydrophobicContact CG1-CD1 3.78Å; I7-I75 HydrophobicContact CG1-CG1 4.25Å; I7-I75 HydrophobicContact CG2-CD1 3.93Å; I7-I75 HydrophobicContact CG2-CG1 4.09Å; I7-V245 HydrophobicContact CG2-CG1 4.03Å
8	T	76.9	Confident	73.8	Confident	69 Å²	69	81.5 Å²	81.5	42%	0.423	41%	0.409	S	S	.	.			trans	-104.4	-31.5	180	54.4	0	0	0	0	111.5	I6 S73 Q246	I6-T8 PolarHBondContact O-N 2.82Å; T8-S73 PolarHBondContact N-O 3.3Å; T8-S73 PolarHBondContact OG1-O 3.27Å; T8-S73 PolarHBondContact OG1-OG 3.41Å; T8-Q246 PolarHBondContact O-N 2.93Å
9	Q	80.9	Confident	73.9	Confident	79 Å²	79	84.5 Å²	84.5	37%	0.369	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.5	-173.9	-68.7	-178.6	-16.8	0	0	111	L74 I75 Q246	Q9-L74 HydrophobicContact CB-CD1 3.58Å; Q9-L74 WeakPolarHBondContact O-CA 3.39Å; Q9-I75 PolarHBondContact O-N 2.81Å; Q9-Q246 WeakPolarHBondContact CA-O 3.48Å
10	W	83.7	Confident	73.9	Confident	52 Å²	52	81.1 Å²	81.1	20%	0.197	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	123.8	174.9	-168.5	-38.2	0	0	0	108.8	C12 L68 I75 Q77 V240 V245 Q246 V247 H248	W10-C12 PolarHBondContact NE1-SG 2.95Å; W10-C12 VanDerWaalsContact NE1-SG 3.37Å; W10-L68 HydrophobicContact CZ2-CD1 4.16Å; W10-I75 CarbonylContact C-O 3.59Å; W10-I75 WeakPolarHBondContact CA-O 3.08Å; W10-I75 HydrophobicContact CD2-CB 4.38Å; W10-I75 HydrophobicContact CD2-CG2 4.04Å; W10-I75 HydrophobicContact CG-CB 4.18Å; W10-I75 HydrophobicContact CG-CG2 4.06Å; W10-Q77 VanDerWaalsContact CZ2-OE1 3.26Å; W10-Q77 VanDerWaalsContact NE1-OE1 3.08Å; W10-V240 HydrophobicContact CZ3-CG2 4.4Å; W10-V245 HydrophobicContact CB-CG1 3.99Å; W10-Q246 PolarHBondContact N-O 3.41Å; W10-V247 HydrophobicContact CB-CG1 4.43Å; W10-V247 HydrophobicContact CB-CG2 4.12Å; W10-V247 CarbonylContact O-C 3.55Å; W10-V247 VanDerWaalsContact O-CA 3.24Å; W10-V247 WeakPolarHBondContact O-CA 3.42Å; W10-H248 PolarHBondContact O-N 2.67Å
11	I	87.3	Confident	74.2	Confident	16 Å²	16	77.2 Å²	77.2	8%	0.082	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.2	175.1	-62.3	172.1	0	0	0	108.7	I13 L74 I75 L76 Q77 F99 W105 H248 V250	I11-I13 HydrophobicContact CG2-CG1 4.33Å; I11-L74 HydrophobicContact CD1-CD1 3.86Å; I11-L74 HydrophobicContact CD1-CD2 4.33Å; I11-L74 HydrophobicContact CG1-CD1 4.01Å; I11-I75 PolarHBondContact N-O 3.46Å; I11-L76 HydrophobicContact CB-CD2 4.01Å; I11-L76 HydrophobicContact CB-CG 4.48Å; I11-L76 HydrophobicContact CD1-CD2 4.12Å; I11-L76 HydrophobicContact CG2-CD2 4.17Å; I11-L76 CarbonylContact O-C 3.48Å; I11-L76 WeakPolarHBondContact O-CA 3.21Å; I11-Q77 PolarHBondContact O-N 3.48Å; I11-F99 HydrophobicContact CG2-CE2 4.43Å; I11-F99 HydrophobicContact CG2-CZ 4Å; I11-W105 HydrophobicContact CD1-CH2 3.86Å; I11-W105 HydrophobicContact CD1-CZ3 4.49Å; I11-H248 CarbonylContact C-O 3.53Å; I11-H248 WeakPolarHBondContact CA-O 3.26Å; I11-H248 HydrophobicContact CG1-CB 4.3Å; I11-V250 HydrophobicContact CG2-CB 4.38Å; I11-V250 HydrophobicContact CG2-CG2 3.81Å
12	C	86.1	Confident	76.1	Confident	14 Å²	14	68.2 Å²	68.2	10%	0.095	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	106.2	174.5	-70	0	0	0	0	109.3	W10 L14 H248 Y249 V250	W10-C12 PolarHBondContact NE1-SG 2.95Å; W10-C12 VanDerWaalsContact NE1-SG 3.37Å; C12-L14 PolarHBondContact O-N 3.41Å; C12-H248 PolarHBondContact N-O 2.99Å; C12-Y249 HydrophobicContact CB-CD1 3.54Å; C12-Y249 HydrophobicContact CB-CE1 3.78Å; C12-Y249 HydrophobicContact CB-CG 4.34Å; C12-Y249 WeakPolarHBondContact O-CA 3.15Å; C12-V250 PolarHBondContact O-N 2.7Å
13	I	87.3	Confident	77.4	Confident	6 Å²	6	67.2 Å²	67.2	3%	0.031	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	106.6	175.7	-54.6	159.4	0	0	0	107.5	I11 L76 Q77 A78 L95 L96 F99 F252	I11-I13 HydrophobicContact CG2-CG1 4.33Å; I13-L76 HydrophobicContact CD1-CD2 4.47Å; I13-Q77 WeakPolarHBondContact CB-O 3.32Å; I13-Q77 PolarHBondContact N-O 3.02Å; I13-A78 HydrophobicContact CB-CB 4.28Å; I13-A78 HydrophobicContact CD1-CB 4.18Å; I13-L95 HydrophobicContact CG2-CD1 4.15Å; I13-L95 HydrophobicContact CG2-CD2 4.16Å; I13-L95 HydrophobicContact CG2-CG 3.94Å; I13-L96 HydrophobicContact CD1-CD1 3.75Å; I13-F99 HydrophobicContact CD1-CB 3.61Å; I13-F99 HydrophobicContact CD1-CD1 3.92Å; I13-F99 HydrophobicContact CD1-CD2 3.96Å; I13-F99 HydrophobicContact CD1-CG 3.52Å; I13-F99 HydrophobicContact CG1-CB 4.37Å; I13-F99 HydrophobicContact CG1-CD1 4.49Å; I13-F99 HydrophobicContact CG1-CD2 3.83Å; I13-F99 HydrophobicContact CG1-CE2 4.27Å; I13-F99 HydrophobicContact CG1-CG 3.95Å; I13-F99 HydrophobicContact CG2-CD2 4.5Å; I13-F252 HydrophobicContact CG2-CD2 3.98Å; I13-F252 HydrophobicContact CG2-CE2 4.22Å
14	L	83.8	Confident	78.7	Confident	62 Å²	62	58 Å²	58	33%	0.325	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	137	179.1	-62.6	179.3	0	0	0	109.9	C12 P16 Y249 V250	C12-L14 PolarHBondContact O-N 3.41Å; L14-P16 WeakPolarHBondContact O-CD 3.28Å; L14-Y249 HydrophobicContact CD2-CD1 4.01Å; L14-V250 PolarHBondContact N-O 2.68Å
15	Q	84	Confident	79.9	Confident	68 Å²	68	51.9 Å²	51.9	32%	0.318	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-58.1	122.4	172.8	-170.7	-175.6	-56	0	0	109	L21 Q79 V80	Q15-L21 HydrophobicContact CG-CD2 4.46Å; Q15-Q79 WeakPolarHBondContact CB-O 3.48Å; Q15-V80 VanDerWaalsContact OE1-CA 3.24Å
16	P	80.4	Confident	80.6	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.032	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-71.1	167.9	175.5	30.4	-33.6	0	0	0	110.5	L14 V20 L21 L95 F252	L14-P16 WeakPolarHBondContact O-CD 3.28Å; P16-V20 HydrophobicContact CB-CB 4.02Å; P16-V20 HydrophobicContact CB-CG1 3.77Å; P16-V20 HydrophobicContact CG-CG1 4.2Å; P16-L21 HydrophobicContact CG-CB 4.14Å; P16-L21 HydrophobicContact CG-CD1 4.31Å; P16-L95 HydrophobicContact CG-CD1 4.04Å; P16-F252 HydrophobicContact CB-CB 4.17Å; P16-F252 HydrophobicContact CG-CB 4.44Å
17	V	80.3	Confident	80.7	Confident	89 Å²	89	50.7 Å²	50.7	54%	0.539	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-58.4	148.2	173.3	-66.3	0	0	0	0	110.5	F19 V20 L21	V17-F19 PolarHBondContact O-N 3.47Å; V17-V20 HydrophobicContact CG2-CB 4.14Å; V17-V20 HydrophobicContact CG2-CG2 3.71Å; V17-V20 PolarHBondContact O-N 2.77Å; V17-L21 PolarHBondContact O-N 2.86Å
18	W	79.3	Confident	81	Confident	132 Å²	132	49 Å²	49	50%	0.5	24%	0.237	S	C	.	.	H	α-helix	trans	-49.2	-42.4	-172	-179.1	-107	0	0	0	113.7	V20 L21 M22 L91	W18-V20 PolarHBondContact O-N 2.74Å; W18-L21 HydrophobicContact CE3-CD2 4.13Å; W18-L21 HydrophobicContact CZ3-CD2 4.17Å; W18-L21 PolarHBondContact O-N 3.44Å; W18-M22 HydrophobicContact CD2-CE 4.25Å; W18-M22 HydrophobicContact CD2-CG 4.16Å; W18-M22 HydrophobicContact CE3-CE 4.09Å; W18-M22 HydrophobicContact CG-CG 4.43Å; W18-M22 HydrophobicContact CH2-CE 3.47Å; W18-M22 VanDerWaalsContact CH2-CE 3.47Å; W18-M22 HydrophobicContact CH2-SD 3.96Å; W18-M22 HydrophobicContact CZ2-CE 3.62Å; W18-M22 HydrophobicContact CZ2-CG 3.98Å; W18-M22 HydrophobicContact CZ2-SD 3.49Å; W18-M22 WeakPolarHBondContact CZ2-SD 3.41Å; W18-M22 HydrophobicContact CZ3-CE 3.72Å; W18-M22 WeakPolarHBondContact O-CG 3.24Å; W18-M22 PolarHBondContact O-N 3.34Å; W18-L91 HydrophobicContact CH2-CD1 4.47Å; W18-L91 HydrophobicContact CZ3-CD1 4.35Å
19	F	74.3	Confident	81.1	Confident	139 Å²	139	51.7 Å²	51.7	61%	0.61	25%	0.245	S	C	*	.	H	α-helix	trans	-58.8	-43.4	178.7	177.7	-108.1	0	0	0	113.3	V17 M22 Q23	V17-F19 PolarHBondContact O-N 3.47Å; F19-M22 PolarHBondContact O-N 3.12Å; F19-Q23 WeakPolarHBondContact O-CG 3.45Å; F19-Q23 PolarHBondContact O-N 3.05Å; F19-Q23 VanDerWaalsContact O-N 3.16Å
20	V	74	Confident	80.6	Confident	15 Å²	15	53 Å²	53	9%	0.091	25%	0.25	C	C	.	.	H	α-helix	trans	-70.4	-42.7	178	171.5	0	0	0	0	110.2	P16 V17 W18 M22 Q23 V24 P253	P16-V20 HydrophobicContact CB-CB 4.02Å; P16-V20 HydrophobicContact CB-CG1 3.77Å; P16-V20 HydrophobicContact CG-CG1 4.2Å; V17-V20 HydrophobicContact CG2-CB 4.14Å; V17-V20 HydrophobicContact CG2-CG2 3.71Å; V17-V20 PolarHBondContact O-N 2.77Å; W18-V20 PolarHBondContact O-N 2.74Å; V20-M22 PolarHBondContact O-N 2.86Å; V20-Q23 WeakPolarHBondContact O-CB 3.39Å; V20-Q23 PolarHBondContact O-N 3.39Å; V20-V24 PolarHBondContact O-N 3.23Å; V20-P253 WeakPolarHBondContact CG1-O 3.48Å
21	L	80.5	Confident	80	Confident	1 Å²	1	51 Å²	51	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-56.4	-41	175.1	-173.8	60.7	0	0	0	111.6	Q15 P16 V17 W18 V24 H25 V80 L91	Q15-L21 HydrophobicContact CG-CD2 4.46Å; P16-L21 HydrophobicContact CG-CB 4.14Å; P16-L21 HydrophobicContact CG-CD1 4.31Å; V17-L21 PolarHBondContact O-N 2.86Å; W18-L21 HydrophobicContact CE3-CD2 4.13Å; W18-L21 HydrophobicContact CZ3-CD2 4.17Å; W18-L21 PolarHBondContact O-N 3.44Å; L21-V24 PolarHBondContact O-N 3.41Å; L21-H25 PolarHBondContact O-N 2.91Å; L21-V80 HydrophobicContact CD1-CG2 4.49Å; L21-V80 HydrophobicContact CD2-CG1 3.84Å; L21-L91 HydrophobicContact CD1-CB 4.48Å; L21-L91 HydrophobicContact CD2-CD1 4.11Å; L21-L91 HydrophobicContact CG-CD2 4.37Å
22	M	81.6	Confident	79.1	Confident	42 Å²	42	57 Å²	57	21%	0.207	26%	0.264	C	S	.	.	H	α-helix	trans	-69.6	-29.7	176.3	-68	-57.1	97.3	0	0	113.2	W18 F19 V20 H25 D26 L91	W18-M22 HydrophobicContact CD2-CE 4.25Å; W18-M22 HydrophobicContact CD2-CG 4.16Å; W18-M22 HydrophobicContact CE3-CE 4.09Å; W18-M22 HydrophobicContact CG-CG 4.43Å; W18-M22 HydrophobicContact CH2-CE 3.47Å; W18-M22 VanDerWaalsContact CH2-CE 3.47Å; W18-M22 HydrophobicContact CH2-SD 3.96Å; W18-M22 HydrophobicContact CZ2-CE 3.62Å; W18-M22 HydrophobicContact CZ2-CG 3.98Å; W18-M22 HydrophobicContact CZ2-SD 3.49Å; W18-M22 WeakPolarHBondContact CZ2-SD 3.41Å; W18-M22 HydrophobicContact CZ3-CE 3.72Å; W18-M22 WeakPolarHBondContact O-CG 3.24Å; W18-M22 PolarHBondContact O-N 3.34Å; F19-M22 PolarHBondContact O-N 3.12Å; V20-M22 PolarHBondContact O-N 2.86Å; M22-H25 HydrophobicContact CE-CB 4.35Å; M22-H25 WeakPolarHBondContact O-CB 3.29Å; M22-H25 PolarHBondContact O-N 3.29Å; M22-D26 WeakPolarHBondContact O-CB 3.49Å; M22-D26 PolarHBondContact O-N 2.91Å; M22-L91 HydrophobicContact CE-CD1 3.99Å; M22-L91 HydrophobicContact CE-CD2 3.77Å
23	Q	76.9	Confident	78.9	Confident	97 Å²	97	59.6 Å²	59.6	45%	0.453	27%	0.274	S	S	.	.	H	α-helix	trans	-67	-41.2	171.5	-69.4	-177.4	10	0	0	112	F19 V20 H25 D26 F27	F19-Q23 WeakPolarHBondContact O-CG 3.45Å; F19-Q23 PolarHBondContact O-N 3.05Å; F19-Q23 VanDerWaalsContact O-N 3.16Å; V20-Q23 WeakPolarHBondContact O-CB 3.39Å; V20-Q23 PolarHBondContact O-N 3.39Å; Q23-H25 VanDerWaalsContact C-N 3.3Å; Q23-D26 PolarHBondContact O-N 2.83Å; Q23-F27 WeakPolarHBondContact O-CB 3.29Å; Q23-F27 PolarHBondContact O-N 2.75Å
24	V	78.7	Confident	78.9	Confident	7 Å²	7	66.1 Å²	66.1	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-43.5	173	177.7	0	0	0	0	109.8	V20 L21 F27 Y28 E94 H98	V20-V24 PolarHBondContact O-N 3.23Å; L21-V24 PolarHBondContact O-N 3.41Å; V24-F27 WeakPolarHBondContact O-CB 3.46Å; V24-F27 PolarHBondContact O-N 2.99Å; V24-Y28 HydrophobicContact CG1-CD2 3.95Å; V24-Y28 HydrophobicContact CG1-CE2 3.99Å; V24-Y28 WeakPolarHBondContact O-CD2 3.44Å; V24-Y28 PolarHBondContact O-N 2.82Å; V24-Y28 VanDerWaalsContact O-N 3.08Å; V24-E94 HydrophobicContact CG1-CB 4.25Å; V24-H98 HydrophobicContact CG1-CB 3.8Å
25	H	85.6	Confident	79.2	Confident	15 Å²	15	63.2 Å²	63.2	7%	0.069	29%	0.289	C	S	.	.	H	α-helix	trans	-57.8	-53.8	176	-175.7	46	0	0	0	112	L21 M22 Q23 F27 Y28 E29 R90 L91 E94	L21-H25 PolarHBondContact O-N 2.91Å; M22-H25 HydrophobicContact CE-CB 4.35Å; M22-H25 WeakPolarHBondContact O-CB 3.29Å; M22-H25 PolarHBondContact O-N 3.29Å; Q23-H25 VanDerWaalsContact C-N 3.3Å; H25-F27 PolarHBondContact O-N 2.8Å; H25-Y28 PolarHBondContact O-N 2.81Å; H25-Y28 VanDerWaalsContact O-N 3.13Å; H25-E29 WeakPolarHBondContact O-CB 3.39Å; H25-E29 PolarHBondContact O-N 3.16Å; H25-R90 PolarHBondContact CE1-NE 2.88Å; H25-R90 PolarHBondContact CE1-NH1 2.77Å; H25-R90 PolarHBondContact CE1-NH2 3.48Å; H25-R90 VanDerWaalsContact NE2-CZ 3.32Å; H25-R90 PolarHBondContact NE2-NH1 3.37Å; H25-R90 PolarHBondContact NE2-NH2 3.47Å; H25-L91 HydrophobicContact CB-CD2 3.82Å; H25-E94 WeakPolarHBondContact CA-OE2 3.4Å; H25-E94 IonicContact CE1-OE1 2.79Å; H25-E94 IonicContact CE1-OE2 2.63Å; H25-E94 IonicContact CG-OE2 3.92Å; H25-E94 IonicContact ND1-OE1 2.92Å; H25-E94 PolarHBondContact ND1-OE1 2.79Å; H25-E94 VanDerWaalsContact ND1-OE1 3.16Å; H25-E94 IonicContact ND1-OE2 2.88Å; H25-E94 PolarHBondContact ND1-OE2 3.13Å
26	D	79.6	Confident	79.6	Confident	66 Å²	66	62.4 Å²	62.4	35%	0.353	29%	0.287	S	S	.	.	H	α-helix	trans	-54.2	-37.5	175.9	-101.1	36.9	0	0	0	112.6	M22 Q23 K30	M22-D26 WeakPolarHBondContact O-CB 3.49Å; M22-D26 PolarHBondContact O-N 2.91Å; Q23-D26 PolarHBondContact O-N 2.83Å; D26-K30 WeakPolarHBondContact O-CB 3.32Å; D26-K30 VanDerWaalsContact O-CD 3.28Å; D26-K30 WeakPolarHBondContact O-CD 3.39Å; D26-K30 VanDerWaalsContact O-CG 3.23Å; D26-K30 WeakPolarHBondContact O-CG 3.44Å; D26-K30 PolarHBondContact O-N 2.91Å; D26-K30 IonicContact OD2-NZ 3.16Å; D26-K30 PolarHBondContact OD2-NZ 3.32Å
27	F	77	Confident	80.1	Confident	52 Å²	52	64.5 Å²	64.5	23%	0.228	30%	0.302	C	S	.	.	H	α-helix	trans	-65.5	-49.7	178.2	174.3	-100.1	0	0	0	110.6	Q23 V24 H25 K30 N31 F101 P112 L114	Q23-F27 WeakPolarHBondContact O-CB 3.29Å; Q23-F27 PolarHBondContact O-N 2.75Å; V24-F27 WeakPolarHBondContact O-CB 3.46Å; V24-F27 PolarHBondContact O-N 2.99Å; H25-F27 PolarHBondContact O-N 2.8Å; F27-K30 PolarHBondContact O-N 2.95Å; F27-N31 WeakPolarHBondContact CD1-ND2 3.37Å; F27-N31 WeakPolarHBondContact CE1-ND2 3.46Å; F27-N31 PolarHBondContact O-N 3.16Å; F27-N31 PolarHBondContact O-ND2 3.01Å; F27-F101 HydrophobicContact CZ-CE1 4.41Å; F27-P112 HydrophobicContact CE1-CB 3.57Å; F27-P112 HydrophobicContact CE1-CG 3.74Å; F27-P112 HydrophobicContact CZ-CB 3.73Å; F27-P112 HydrophobicContact CZ-CG 4.15Å; F27-L114 HydrophobicContact CD2-CD2 4.19Å; F27-L114 HydrophobicContact CE2-CD2 4.09Å
28	Y	82.9	Confident	80.6	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-72.6	-30.6	179	-79.3	-80	0	0	0	114.1	V24 H25 K30 N31 A35 I38 E94 A97 H98 P112	V24-Y28 HydrophobicContact CG1-CD2 3.95Å; V24-Y28 HydrophobicContact CG1-CE2 3.99Å; V24-Y28 WeakPolarHBondContact O-CD2 3.44Å; V24-Y28 PolarHBondContact O-N 2.82Å; V24-Y28 VanDerWaalsContact O-N 3.08Å; H25-Y28 PolarHBondContact O-N 2.81Å; H25-Y28 VanDerWaalsContact O-N 3.13Å; Y28-K30 VanDerWaalsContact C-N 3.27Å; Y28-K30 PolarHBondContact O-N 2.84Å; Y28-N31 PolarHBondContact O-N 3.03Å; Y28-N31 VanDerWaalsContact O-N 3.17Å; Y28-A35 HydrophobicContact CD1-CB 3.89Å; Y28-A35 HydrophobicContact CE1-CB 4.13Å; Y28-A35 HydrophobicContact CG-CB 4.23Å; Y28-I38 HydrophobicContact CD1-CD1 4.34Å; Y28-I38 HydrophobicContact CE1-CD1 3.79Å; Y28-E94 HydrophobicContact CD2-CB 4Å; Y28-E94 HydrophobicContact CD2-CG 4.07Å; Y28-E94 HydrophobicContact CG-CB 4.45Å; Y28-E94 HydrophobicContact CG-CG 4.02Å; Y28-A97 HydrophobicContact CE1-CB 4.16Å; Y28-A97 PolarHBondContact OH-O 3.13Å; Y28-H98 HydrophobicContact CE2-CB 3.89Å; Y28-H98 AromaticContact CE2-ND1 3.87Å; Y28-H98 WeakPolarHBondContact OH-CA 3.48Å; Y28-H98 PolarHBondContact OH-N 3.07Å; Y28-H98 VanDerWaalsContact OH-N 3.13Å; Y28-P112 HydrophobicContact CE1-CB 4.22Å; Y28-P112 HydrophobicContact CE1-CG 3.75Å
29	E	79.7	Confident	81.3	Confident	124 Å²	124	54 Å²	54	58%	0.579	25%	0.252	S	S	*	.	H	α-helix	trans	-64.2	-35.2	173.6	-170.8	175.1	-146.4	0	0	111.6	H25 N31	H25-E29 WeakPolarHBondContact O-CB 3.39Å; H25-E29 PolarHBondContact O-N 3.16Å; E29-N31 VanDerWaalsContact C-N 3.3Å; E29-N31 PolarHBondContact O-N 2.92Å
30	K	69.8	Low	82.2	Confident	108 Å²	108	51.7 Å²	51.7	47%	0.47	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	0.7	176.1	-66.8	166.4	-165.1	145.6	0	113.5	D26 F27 Y28 V115	D26-K30 WeakPolarHBondContact O-CB 3.32Å; D26-K30 VanDerWaalsContact O-CD 3.28Å; D26-K30 WeakPolarHBondContact O-CD 3.39Å; D26-K30 VanDerWaalsContact O-CG 3.23Å; D26-K30 WeakPolarHBondContact O-CG 3.44Å; D26-K30 PolarHBondContact O-N 2.91Å; D26-K30 IonicContact OD2-NZ 3.16Å; D26-K30 PolarHBondContact OD2-NZ 3.32Å; F27-K30 PolarHBondContact O-N 2.95Å; Y28-K30 VanDerWaalsContact C-N 3.27Å; Y28-K30 PolarHBondContact O-N 2.84Å; K30-V115 WeakPolarHBondContact O-CB 3.23Å; K30-V115 WeakPolarHBondContact O-CG2 3.49Å; K30-V115 PolarHBondContact O-N 3.29Å
31	N	70.8	Confident	83.1	Confident	9 Å²	9	53.5 Å²	53.5	5%	0.048	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-95.3	148.7	179.3	-79.3	-44.9	0	0	0	111.7	F27 Y28 E29 K33 P112 Q113 L114	F27-N31 WeakPolarHBondContact CD1-ND2 3.37Å; F27-N31 WeakPolarHBondContact CE1-ND2 3.46Å; F27-N31 PolarHBondContact O-N 3.16Å; F27-N31 PolarHBondContact O-ND2 3.01Å; Y28-N31 PolarHBondContact O-N 3.03Å; Y28-N31 VanDerWaalsContact O-N 3.17Å; E29-N31 VanDerWaalsContact C-N 3.3Å; E29-N31 PolarHBondContact O-N 2.92Å; N31-K33 PolarHBondContact O-N 2.89Å; N31-P112 WeakPolarHBondContact ND2-CB 3.23Å; N31-Q113 WeakPolarHBondContact CA-O 3.31Å; N31-Q113 PolarHBondContact OD1-O 3.35Å; N31-L114 WeakPolarHBondContact OD1-CA 3.49Å; N31-L114 PolarHBondContact OD1-N 3.31Å
32	R	68.9	Low	83.7	Confident	141 Å²	141	53.4 Å²	53.4	53%	0.532	25%	0.253	S	S	.	.	S	Bend	trans	-64.5	-29.2	-178.4	-72.2	-175.5	-179.1	176.7	5.4	111.7	Q113 V115 E117	R32-Q113 PolarHBondContact N-O 3.16Å; R32-Q113 VanDerWaalsContact N-O 3.1Å; R32-V115 HydrophobicContact CB-CG2 4.22Å; R32-V115 HydrophobicContact CG-CB 4.21Å; R32-V115 HydrophobicContact CG-CG2 3.61Å; R32-V115 VanDerWaalsContact N-CG2 3.27Å; R32-E117 IonicContact CZ-OE1 3.55Å; R32-E117 IonicContact NH2-OE1 3.89Å; R32-E117 PolarHBondContact NH2-OE1 2.86Å
33	K	80.9	Confident	84.2	Confident	70 Å²	70	52.8 Å²	52.8	30%	0.304	25%	0.253	S	S	.	.	S	Bend	trans	-111.4	127.1	-179.9	-67.8	-168.9	172.5	-163.9	0	110.4	N31 I38 E41	N31-K33 PolarHBondContact O-N 2.89Å; K33-I38 HydrophobicContact CB-CD1 4.26Å; K33-I38 HydrophobicContact CB-CG1 4.04Å; K33-E41 VanDerWaalsContact NZ-CD 3.26Å; K33-E41 IonicContact NZ-OE1 2.75Å; K33-E41 PolarHBondContact NZ-OE1 2.89Å; K33-E41 IonicContact NZ-OE2 2.78Å; K33-E41 PolarHBondContact NZ-OE2 3.13Å
34	Q	87.5	Confident	84.9	Confident	142 Å²	142	55.1 Å²	55.1	66%	0.664	26%	0.264	S	S	*	.			trans	-68.4	148.2	171.4	-64.8	-177.2	-7.2	0	0	110.7	L36 S37 I38	Q34-L36 VanDerWaalsContact C-N 3.29Å; Q34-L36 PolarHBondContact O-N 2.78Å; Q34-S37 WeakPolarHBondContact O-CA 3.32Å; Q34-S37 VanDerWaalsContact O-CB 3.29Å; Q34-S37 WeakPolarHBondContact O-CB 3.42Å; Q34-S37 PolarHBondContact O-N 3.33Å; Q34-I38 PolarHBondContact O-N 2.84Å
35	A	90.9	Very high	85.4	Confident	2 Å²	2	58.3 Å²	58.3	2%	0.017	28%	0.28	C	S	.	.	H	α-helix	trans	-56.7	-39.7	179.3	0	0	0	0	0	113.3	Y28 S37 I38 L39 A93 E94 A97	Y28-A35 HydrophobicContact CD1-CB 3.89Å; Y28-A35 HydrophobicContact CE1-CB 4.13Å; Y28-A35 HydrophobicContact CG-CB 4.23Å; A35-S37 VanDerWaalsContact C-N 3.29Å; A35-S37 PolarHBondContact O-N 2.96Å; A35-I38 WeakPolarHBondContact O-CB 3.37Å; A35-I38 PolarHBondContact O-N 2.83Å; A35-I38 VanDerWaalsContact O-N 3.13Å; A35-L39 WeakPolarHBondContact O-CG 3.21Å; A35-L39 PolarHBondContact O-N 2.98Å; A35-A93 HydrophobicContact CB-CB 4.32Å; A35-E94 HydrophobicContact CB-CB 4.12Å; A35-E94 HydrophobicContact CB-CG 3.52Å; A35-A97 HydrophobicContact CB-CB 3.87Å
36	L	91.9	Very high	85.6	Confident	50 Å²	50	61.3 Å²	61.3	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-60.1	-38.6	174.7	-76.4	168.9	0	0	0	112.5	Q34 L39 N40 W54 A93	Q34-L36 VanDerWaalsContact C-N 3.29Å; Q34-L36 PolarHBondContact O-N 2.78Å; L36-L39 PolarHBondContact O-N 3.44Å; L36-N40 WeakPolarHBondContact O-CB 3.33Å; L36-N40 PolarHBondContact O-N 3.39Å; L36-N40 PolarHBondContact O-ND2 3.39Å; L36-W54 HydrophobicContact CD2-CH2 4.1Å; L36-W54 HydrophobicContact CD2-CZ2 4.06Å; L36-A93 HydrophobicContact CD2-CB 3.51Å; L36-A93 HydrophobicContact CG-CB 3.7Å
37	S	91.1	Very high	85.8	Confident	49 Å²	49	61.8 Å²	61.8	34%	0.343	31%	0.305	S	S	.	.	H	α-helix	trans	-64.9	-42.8	174.8	-168	0	0	0	0	110.8	Q34 A35 L39 N40 E41	Q34-S37 WeakPolarHBondContact O-CA 3.32Å; Q34-S37 VanDerWaalsContact O-CB 3.29Å; Q34-S37 WeakPolarHBondContact O-CB 3.42Å; Q34-S37 PolarHBondContact O-N 3.33Å; A35-S37 VanDerWaalsContact C-N 3.29Å; A35-S37 PolarHBondContact O-N 2.96Å; S37-L39 PolarHBondContact O-N 3.19Å; S37-N40 PolarHBondContact O-N 3.45Å; S37-E41 WeakPolarHBondContact O-CB 3.49Å; S37-E41 WeakPolarHBondContact O-CG 3.38Å; S37-E41 PolarHBondContact O-N 2.92Å; S37-E41 PolarHBondContact OG-OE1 2.83Å
38	I	91.5	Very high	86	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.2	-47.8	177.4	-68.2	168.4	0	0	0	110.7	Y28 K33 Q34 A35 E41 L42 L106 L110 P112	Y28-I38 HydrophobicContact CD1-CD1 4.34Å; Y28-I38 HydrophobicContact CE1-CD1 3.79Å; K33-I38 HydrophobicContact CB-CD1 4.26Å; K33-I38 HydrophobicContact CB-CG1 4.04Å; Q34-I38 PolarHBondContact O-N 2.84Å; A35-I38 WeakPolarHBondContact O-CB 3.37Å; A35-I38 PolarHBondContact O-N 2.83Å; A35-I38 VanDerWaalsContact O-N 3.13Å; I38-E41 PolarHBondContact O-N 2.77Å; I38-L42 VanDerWaalsContact O-CB 3.27Å; I38-L42 WeakPolarHBondContact O-CB 3.42Å; I38-L42 PolarHBondContact O-N 2.78Å; I38-L106 HydrophobicContact CG2-CD1 4.09Å; I38-L106 HydrophobicContact CG2-CD2 3.98Å; I38-L110 HydrophobicContact CG2-CB 4.3Å; I38-P112 HydrophobicContact CD1-CG 4.46Å
39	L	93.8	Very high	86.2	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-64.5	-42.6	178.9	-65.9	-178.4	0	0	0	112	A35 L36 S37 L42 S43 Y52 A93 L96 A97 L100	A35-L39 WeakPolarHBondContact O-CG 3.21Å; A35-L39 PolarHBondContact O-N 2.98Å; L36-L39 PolarHBondContact O-N 3.44Å; S37-L39 PolarHBondContact O-N 3.19Å; L39-L42 WeakPolarHBondContact O-CB 3.49Å; L39-L42 PolarHBondContact O-N 2.71Å; L39-S43 PolarHBondContact O-N 3.02Å; L39-Y52 WeakPolarHBondContact CA-OH 3.3Å; L39-Y52 HydrophobicContact CB-CE1 4.37Å; L39-Y52 HydrophobicContact CB-CE2 4.18Å; L39-Y52 HydrophobicContact CD2-CE1 4.31Å; L39-Y52 WeakPolarHBondContact O-CE2 3.42Å; L39-Y52 PolarHBondContact O-OH 3.22Å; L39-A93 HydrophobicContact CD1-CB 3.91Å; L39-L96 HydrophobicContact CD1-CD2 4.01Å; L39-L96 HydrophobicContact CD2-CD2 4.12Å; L39-L96 HydrophobicContact CD2-CG 4.21Å; L39-A97 HydrophobicContact CD2-CB 4.32Å; L39-A97 HydrophobicContact CG-CB 4.5Å; L39-L100 HydrophobicContact CD2-CD1 3.98Å
40	N	93	Very high	86.8	Confident	90 Å²	90	64.7 Å²	64.7	48%	0.481	34%	0.335	S	S	.	.	H	α-helix	trans	-62.3	-49.5	176.9	-73.7	-15.2	0	0	0	111.4	L36 S37 L42 S43 Q44	L36-N40 WeakPolarHBondContact O-CB 3.33Å; L36-N40 PolarHBondContact O-N 3.39Å; L36-N40 PolarHBondContact O-ND2 3.39Å; S37-N40 PolarHBondContact O-N 3.45Å; N40-L42 VanDerWaalsContact C-N 3.26Å; N40-L42 PolarHBondContact O-N 3.09Å; N40-S43 PolarHBondContact O-N 2.86Å; N40-S43 PolarHBondContact O-OG 2.68Å; N40-Q44 WeakPolarHBondContact O-CG 3.4Å; N40-Q44 PolarHBondContact O-N 3.25Å; N40-Q44 VanDerWaalsContact O-N 3.1Å
41	E	92.6	Very high	87.9	Confident	53 Å²	53	61.7 Å²	61.7	25%	0.248	33%	0.328	C	S	.	.	H	α-helix	trans	-59.5	-39.8	175.2	-72	-179.9	-120.7	0	0	110.9	K33 S37 I38 S43 Q44 L45 L110	K33-E41 VanDerWaalsContact NZ-CD 3.26Å; K33-E41 IonicContact NZ-OE1 2.75Å; K33-E41 PolarHBondContact NZ-OE1 2.89Å; K33-E41 IonicContact NZ-OE2 2.78Å; K33-E41 PolarHBondContact NZ-OE2 3.13Å; S37-E41 WeakPolarHBondContact O-CB 3.49Å; S37-E41 WeakPolarHBondContact O-CG 3.38Å; S37-E41 PolarHBondContact O-N 2.92Å; S37-E41 PolarHBondContact OG-OE1 2.83Å; I38-E41 PolarHBondContact O-N 2.77Å; E41-S43 PolarHBondContact O-N 2.78Å; E41-Q44 WeakPolarHBondContact O-CB 3.47Å; E41-Q44 PolarHBondContact O-N 2.88Å; E41-Q44 VanDerWaalsContact O-N 3.13Å; E41-L45 VanDerWaalsContact O-CG 3.27Å; E41-L45 WeakPolarHBondContact O-CG 3.35Å; E41-L45 PolarHBondContact O-N 2.87Å; E41-L110 HydrophobicContact CB-CD1 4.24Å; E41-L110 HydrophobicContact CB-CD2 3.61Å; E41-L110 HydrophobicContact CG-CD2 4.29Å; E41-L110 WeakPolarHBondContact OE2-CD2 3.24Å
42	L	92.6	Very high	89	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.9	-44.4	176.8	-171.7	70.7	0	0	0	111.6	I38 L39 N40 Q44 L45 Y46 I50 M69 W71 L100 L106 P107 L110	I38-L42 VanDerWaalsContact O-CB 3.27Å; I38-L42 WeakPolarHBondContact O-CB 3.42Å; I38-L42 PolarHBondContact O-N 2.78Å; L39-L42 WeakPolarHBondContact O-CB 3.49Å; L39-L42 PolarHBondContact O-N 2.71Å; N40-L42 VanDerWaalsContact C-N 3.26Å; N40-L42 PolarHBondContact O-N 3.09Å; L42-Q44 VanDerWaalsContact C-N 3.28Å; L42-Q44 PolarHBondContact O-N 3.4Å; L42-L45 PolarHBondContact O-N 2.95Å; L42-Y46 HydrophobicContact CD1-CD2 3.76Å; L42-Y46 HydrophobicContact CD1-CE2 3.6Å; L42-Y46 HydrophobicContact CG-CD2 4.24Å; L42-Y46 WeakPolarHBondContact O-CD2 3.44Å; L42-Y46 PolarHBondContact O-N 3.27Å; L42-Y46 VanDerWaalsContact O-N 3.09Å; L42-I50 HydrophobicContact CD1-CD1 4.48Å; L42-I50 HydrophobicContact CD2-CD1 4.09Å; L42-I50 HydrophobicContact CG-CD1 3.79Å; L42-M69 HydrophobicContact CD2-CE 3.79Å; L42-W71 HydrophobicContact CD2-CZ3 4.35Å; L42-L100 HydrophobicContact CD2-CD1 3.66Å; L42-L106 HydrophobicContact CD1-CD2 4.36Å; L42-L106 HydrophobicContact CD2-CD2 4.14Å; L42-P107 HydrophobicContact CD1-CG 4.27Å; L42-L110 HydrophobicContact CB-CD1 3.82Å; L42-L110 HydrophobicContact CD1-CD1 3.83Å; L42-L110 HydrophobicContact CG-CD1 4.47Å
43	S	92.4	Very high	90.2	Very high	29 Å²	29	60.8 Å²	60.8	20%	0.203	33%	0.328	C	S	.	.	H	α-helix	trans	-64.8	-31.5	175.5	60.2	0	0	0	0	113.5	L39 N40 E41 Y46 A47	L39-S43 PolarHBondContact O-N 3.02Å; N40-S43 PolarHBondContact O-N 2.86Å; N40-S43 PolarHBondContact O-OG 2.68Å; E41-S43 PolarHBondContact O-N 2.78Å; S43-Y46 CarbonylContact O-C 3.54Å; S43-A47 VanDerWaalsContact O-CA 3.31Å; S43-A47 WeakPolarHBondContact O-CA 3.44Å; S43-A47 PolarHBondContact O-N 3.09Å; S43-A47 VanDerWaalsContact O-N 3.16Å
44	Q	91.7	Very high	90.9	Very high	146 Å²	146	61.1 Å²	61.1	68%	0.682	33%	0.327	S	S	*	.	H	α-helix	trans	-71.4	-38	175	-68.7	175.1	-7.1	0	0	111.8	N40 E41 L42 Y46	N40-Q44 WeakPolarHBondContact O-CG 3.4Å; N40-Q44 PolarHBondContact O-N 3.25Å; N40-Q44 VanDerWaalsContact O-N 3.1Å; E41-Q44 WeakPolarHBondContact O-CB 3.47Å; E41-Q44 PolarHBondContact O-N 2.88Å; E41-Q44 VanDerWaalsContact O-N 3.13Å; L42-Q44 VanDerWaalsContact C-N 3.28Å; L42-Q44 PolarHBondContact O-N 3.4Å; Q44-Y46 VanDerWaalsContact C-N 3.34Å
45	L	89.7	Confident	91.2	Very high	73 Å²	73	60.7 Å²	60.7	38%	0.382	32%	0.321	S	S	.	.	H	α-helix	trans	-67.5	-35.5	177.7	-68.6	176.5	0	0	0	113.1	E41 L42 K109 L110	E41-L45 VanDerWaalsContact O-CG 3.27Å; E41-L45 WeakPolarHBondContact O-CG 3.35Å; E41-L45 PolarHBondContact O-N 2.87Å; L42-L45 PolarHBondContact O-N 2.95Å; L45-K109 HydrophobicContact CD1-CD 4.48Å; L45-K109 VanDerWaalsContact CD2-CE 3.48Å; L45-L110 HydrophobicContact CD1-CD1 3.54Å; L45-L110 HydrophobicContact CD1-CG 4.01Å
46	Y	88.5	Confident	91.4	Very high	78 Å²	78	64 Å²	64	31%	0.306	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	47	178.1	-62	-83.2	0	0	0	110.1	L42 S43 Q44 G48 R49 I50 W71 P107	L42-Y46 HydrophobicContact CD1-CD2 3.76Å; L42-Y46 HydrophobicContact CD1-CE2 3.6Å; L42-Y46 HydrophobicContact CG-CD2 4.24Å; L42-Y46 WeakPolarHBondContact O-CD2 3.44Å; L42-Y46 PolarHBondContact O-N 3.27Å; L42-Y46 VanDerWaalsContact O-N 3.09Å; S43-Y46 CarbonylContact O-C 3.54Å; Q44-Y46 VanDerWaalsContact C-N 3.34Å; Y46-G48 PolarHBondContact O-N 2.87Å; Y46-R49 WeakPolarHBondContact O-CB 3.47Å; Y46-R49 PolarHBondContact O-N 3.03Å; Y46-I50 HydrophobicContact CD2-CD1 3.68Å; Y46-I50 HydrophobicContact CG-CD1 3.84Å; Y46-I50 HydrophobicContact CG-CG1 4.48Å; Y46-I50 PolarHBondContact O-N 3.08Å; Y46-I50 VanDerWaalsContact O-N 3.16Å; Y46-W71 HydrophobicContact CD1-CZ2 4.35Å; Y46-W71 HydrophobicContact CD2-CZ2 4.21Å; Y46-W71 HydrophobicContact CE1-CZ2 4.21Å; Y46-W71 HydrophobicContact CE2-CH2 4.32Å; Y46-W71 HydrophobicContact CE2-CZ2 4.07Å; Y46-W71 HydrophobicContact CG-CZ2 4.35Å; Y46-P107 HydrophobicContact CE2-CG 4.08Å
47	A	84.1	Confident	91.4	Very high	76 Å²	76	68 Å²	68	63%	0.628	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	130.1	-177.5	0	0	0	0	0	111.4	S43 R49	S43-A47 VanDerWaalsContact O-CA 3.31Å; S43-A47 WeakPolarHBondContact O-CA 3.44Å; S43-A47 PolarHBondContact O-N 3.09Å; S43-A47 VanDerWaalsContact O-N 3.16Å; A47-R49 PolarHBondContact O-N 3.38Å
48	G	82.3	Confident	91.4	Very high	83 Å²	83	70.6 Å²	70.6	86%	0.856	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	-15.1	-177.7	0	0	0	0	0	115.5	Y46	Y46-G48 PolarHBondContact O-N 2.87Å
49	R	87.3	Confident	91.2	Very high	148 Å²	148	72.4 Å²	72.4	56%	0.558	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-33.5	176.8	-61.4	-169.3	-175	-166.2	-0.1	113.1	Y46 A47 W71 D72	Y46-R49 WeakPolarHBondContact O-CB 3.47Å; Y46-R49 PolarHBondContact O-N 3.03Å; A47-R49 PolarHBondContact O-N 3.38Å; R49-W71 WeakPolarHBondContact O-CA 3.41Å; R49-D72 VanDerWaalsContact CB-OD1 3.29Å; R49-D72 WeakPolarHBondContact CB-OD1 3.01Å; R49-D72 WeakPolarHBondContact CD-OD1 3.27Å; R49-D72 VanDerWaalsContact CG-OD1 3.29Å; R49-D72 WeakPolarHBondContact CG-OD1 3.13Å; R49-D72 PolarHBondContact O-N 3.39Å
50	I	92.2	Very high	90.8	Very high	10 Å²	10	80.9 Å²	80.9	5%	0.051	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.5	179.2	-62.2	178	0	0	0	110.1	L42 Y46 Y52 M69 R70 W71	L42-I50 HydrophobicContact CD1-CD1 4.48Å; L42-I50 HydrophobicContact CD2-CD1 4.09Å; L42-I50 HydrophobicContact CG-CD1 3.79Å; Y46-I50 HydrophobicContact CD2-CD1 3.68Å; Y46-I50 HydrophobicContact CG-CD1 3.84Å; Y46-I50 HydrophobicContact CG-CG1 4.48Å; Y46-I50 PolarHBondContact O-N 3.08Å; Y46-I50 VanDerWaalsContact O-N 3.16Å; I50-Y52 HydrophobicContact CG2-CE1 4.12Å; I50-Y52 HydrophobicContact CG2-CE2 4.08Å; I50-M69 HydrophobicContact CD1-CE 3.74Å; I50-M69 HydrophobicContact CG1-CE 4.12Å; I50-M69 HydrophobicContact CG2-CE 3.68Å; I50-M69 HydrophobicContact CG2-CG 4.3Å; I50-R70 VanDerWaalsContact CA-O 3.23Å; I50-R70 WeakPolarHBondContact CA-O 3.27Å; I50-W71 HydrophobicContact CD1-CD2 3.66Å; I50-W71 HydrophobicContact CD1-CE3 3.93Å; I50-W71 HydrophobicContact CD1-CG 4.17Å; I50-W71 HydrophobicContact CD1-CH2 4.11Å; I50-W71 HydrophobicContact CD1-CZ2 3.88Å; I50-W71 HydrophobicContact CD1-CZ3 4.14Å; I50-W71 HydrophobicContact CG1-CB 4.29Å; I50-W71 HydrophobicContact CG1-CD2 3.81Å; I50-W71 HydrophobicContact CG1-CE3 4.43Å; I50-W71 HydrophobicContact CG1-CG 3.74Å
51	S	91.7	Very high	90.2	Very high	46 Å²	46	85.2 Å²	85.2	32%	0.322	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	152.7	169.9	65.2	0	0	0	0	111.2	M69 R70	S51-M69 WeakPolarHBondContact O-CA 3.47Å; S51-R70 PolarHBondContact N-O 3.37Å; S51-R70 PolarHBondContact O-N 2.87Å
52	Y	94.3	Very high	89.9	Confident	39 Å²	39	83.5 Å²	83.5	15%	0.153	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.7	-178.8	-55.7	-73.5	0	0	0	110.7	L39 I50 V67 L68 M69 L96	L39-Y52 WeakPolarHBondContact CA-OH 3.3Å; L39-Y52 HydrophobicContact CB-CE1 4.37Å; L39-Y52 HydrophobicContact CB-CE2 4.18Å; L39-Y52 HydrophobicContact CD2-CE1 4.31Å; L39-Y52 WeakPolarHBondContact O-CE2 3.42Å; L39-Y52 PolarHBondContact O-OH 3.22Å; I50-Y52 HydrophobicContact CG2-CE1 4.12Å; I50-Y52 HydrophobicContact CG2-CE2 4.08Å; Y52-V67 HydrophobicContact CD1-CG2 4.33Å; Y52-L68 CarbonylContact C-O 3.56Å; Y52-L68 WeakPolarHBondContact CA-O 3.43Å; Y52-M69 HydrophobicContact CD1-CB 3.71Å; Y52-M69 HydrophobicContact CD1-CG 3.88Å; Y52-M69 HydrophobicContact CE1-CB 3.76Å; Y52-M69 HydrophobicContact CE1-CE 4.3Å; Y52-M69 HydrophobicContact CE1-CG 3.49Å; Y52-M69 VanDerWaalsContact CE1-CG 3.49Å; Y52-M69 HydrophobicContact CE1-SD 3.78Å; Y52-L96 HydrophobicContact CE1-CD2 4.25Å
53	H	94.2	Very high	89.8	Confident	92 Å²	92	84.1 Å²	84.1	43%	0.426	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.5	170.5	-63.5	82.5	0	0	0	109.1	Y55 L68	H53-Y55 HydrophobicContact CB-CE2 3.85Å; H53-L68 HydrophobicContact CB-CB 4.44Å; H53-L68 PolarHBondContact N-O 3.34Å; H53-L68 PolarHBondContact O-N 3.4Å
54	W	95.2	Very high	89.8	Confident	76 Å²	76	83.3 Å²	83.3	29%	0.288	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.6	-176	-67.3	86.2	0	0	0	109.7	L36 S66 V67 K89 A92 A93	L36-W54 HydrophobicContact CD2-CH2 4.1Å; L36-W54 HydrophobicContact CD2-CZ2 4.06Å; W54-S66 WeakPolarHBondContact CA-O 3.16Å; W54-V67 HydrophobicContact CD2-CB 4.16Å; W54-V67 HydrophobicContact CD2-CG2 4.07Å; W54-V67 HydrophobicContact CE3-CB 3.78Å; W54-V67 HydrophobicContact CE3-CG2 4.18Å; W54-V67 HydrophobicContact CH2-CB 3.71Å; W54-V67 HydrophobicContact CH2-CG1 4.3Å; W54-V67 HydrophobicContact CH2-CG2 3.73Å; W54-V67 HydrophobicContact CZ2-CB 4.09Å; W54-V67 HydrophobicContact CZ2-CG2 3.6Å; W54-V67 HydrophobicContact CZ3-CB 3.57Å; W54-V67 HydrophobicContact CZ3-CG1 4.3Å; W54-V67 HydrophobicContact CZ3-CG2 4.05Å; W54-K89 HydrophobicContact CE3-CG 4.06Å; W54-K89 HydrophobicContact CH2-CG 4.2Å; W54-K89 HydrophobicContact CZ3-CG 3.76Å; W54-A92 HydrophobicContact CZ3-CB 4.24Å; W54-A93 HydrophobicContact CH2-CB 3.98Å
55	Y	94.5	Very high	89.9	Confident	133 Å²	133	77.4 Å²	77.4	52%	0.522	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	145.1	176.9	-56.8	-84.6	0	0	0	109.7	H53 K65 S66 L68	H53-Y55 HydrophobicContact CB-CE2 3.85Å; Y55-K65 WeakPolarHBondContact O-CA 3.5Å; Y55-K65 WeakPolarHBondContact O-CD 3.37Å; Y55-S66 PolarHBondContact N-O 2.82Å; Y55-S66 PolarHBondContact O-N 3.5Å; Y55-L68 HydrophobicContact CE2-CB 4.19Å
56	T	94.2	Very high	90	Very high	72 Å²	72	74.6 Å²	74.6	44%	0.442	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.6	177.5	-33.9	0	0	0	0	108.2	V58 V63 T64 K65	T56-V58 HydrophobicContact CG2-CG2 4.41Å; T56-V63 HydrophobicContact CG2-CG1 3.98Å; T56-T64 WeakPolarHBondContact CA-O 3.32Å; T56-K65 HydrophobicContact CG2-CD 3.83Å; T56-K65 HydrophobicContact CG2-CG 4.47Å; T56-K65 VanDerWaalsContact OG1-CE 3.3Å; T56-K65 WeakPolarHBondContact OG1-CE 3.1Å; T56-K65 PolarHBondContact OG1-NZ 3.46Å
57	F	91.8	Very high	90.4	Very high	135 Å²	135	70.9 Å²	70.9	59%	0.592	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.7	169.9	-178	-105.2	0	0	0	107.9	T64	F57-T64 PolarHBondContact N-O 3.41Å; F57-T64 PolarHBondContact O-N 3.4Å
58	V	91.9	Very high	90.8	Very high	102 Å²	102	68.6 Å²	68.6	62%	0.618	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.6	178.9	-177.3	0	0	0	0	106.5	T56	T56-V58 HydrophobicContact CG2-CG2 4.41Å
59	S	87.4	Confident	91.4	Very high	39 Å²	39	64.6 Å²	64.6	27%	0.273	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	174.4	176.1	62.6	0	0	0	0	110.5	E61 G62	S59-E61 PolarHBondContact O-N 2.86Å; S59-G62 PolarHBondContact N-O 3.38Å; S59-G62 PolarHBondContact O-N 3.38Å; S59-G62 VanDerWaalsContact O-N 3.09Å; S59-G62 VanDerWaalsContact O-O 3.06Å; S59-G62 PolarHBondContact OG-O 2.94Å
60	D	84.4	Confident	91.6	Very high	179 Å²	179	60.8 Å²	60.8	96%	0.957	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.5	175.6	-60.8	-21.7	0	0	0	112.4	G62	D60-G62 VanDerWaalsContact C-N 3.3Å
61	E	81.4	Confident	91.5	Very high	180 Å²	180	62.2 Å²	62.2	84%	0.841	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.3	177.8	-60.9	-175	169.1	0	0	113.3	S59	S59-E61 PolarHBondContact O-N 2.86Å
62	G	86.5	Confident	91.3	Very high	17 Å²	17	63 Å²	63	18%	0.175	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	135.8	-161.7	178.2	0	0	0	0	0	113.6	S59 D60	S59-G62 PolarHBondContact N-O 3.38Å; S59-G62 PolarHBondContact O-N 3.38Å; S59-G62 VanDerWaalsContact O-N 3.09Å; S59-G62 VanDerWaalsContact O-O 3.06Å; S59-G62 PolarHBondContact OG-O 2.94Å; D60-G62 VanDerWaalsContact C-N 3.3Å
63	V	90.6	Very high	90.8	Very high	13 Å²	13	63.3 Å²	63.3	8%	0.079	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	136	177.6	-177	0	0	0	0	108.7	T56 T81 A82 V85 T88	T56-V63 HydrophobicContact CG2-CG1 3.98Å; V63-T81 CarbonylContact O-C 3.57Å; V63-T81 VanDerWaalsContact O-CA 3.27Å; V63-T81 WeakPolarHBondContact O-CA 3.49Å; V63-A82 PolarHBondContact N-O 3.4Å; V63-A82 PolarHBondContact O-N 3.36Å; V63-V85 HydrophobicContact CG1-CB 4.42Å; V63-V85 HydrophobicContact CG1-CG2 3.81Å; V63-V85 HydrophobicContact CG2-CG2 4.17Å; V63-T88 HydrophobicContact CB-CG2 4.16Å; V63-T88 HydrophobicContact CG1-CG2 4.25Å; V63-T88 WeakPolarHBondContact O-CG2 3.38Å
64	T	91.4	Very high	90.5	Very high	13 Å²	13	60 Å²	60	8%	0.08	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.7	171.4	-58.3	0	0	0	0	109.2	T56 F57 Q79 V80 T81	T56-T64 WeakPolarHBondContact CA-O 3.32Å; F57-T64 PolarHBondContact N-O 3.41Å; F57-T64 PolarHBondContact O-N 3.4Å; T64-Q79 HydrophobicContact CG2-CG 3.51Å; T64-Q79 VanDerWaalsContact CG2-NE2 3.31Å; T64-V80 WeakPolarHBondContact CA-O 3.49Å; T64-T81 PolarHBondContact OG1-OG1 3.1Å
65	K	93.6	Very high	90.2	Very high	21 Å²	21	56.9 Å²	56.9	9%	0.091	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	135.2	169.5	-77.3	-76.5	-168.2	171.1	0	110.2	Y55 T56 Q79 V80 V85 T88 K89	Y55-K65 WeakPolarHBondContact O-CA 3.5Å; Y55-K65 WeakPolarHBondContact O-CD 3.37Å; T56-K65 HydrophobicContact CG2-CD 3.83Å; T56-K65 HydrophobicContact CG2-CG 4.47Å; T56-K65 VanDerWaalsContact OG1-CE 3.3Å; T56-K65 WeakPolarHBondContact OG1-CE 3.1Å; T56-K65 PolarHBondContact OG1-NZ 3.46Å; K65-Q79 WeakPolarHBondContact O-CA 3.3Å; K65-V80 PolarHBondContact N-O 2.88Å; K65-V80 PolarHBondContact O-N 3.49Å; K65-V85 VanDerWaalsContact CE-CG1 3.46Å; K65-T88 WeakPolarHBondContact CG-OG1 3.36Å; K65-K89 HydrophobicContact CG-CB 4.42Å
66	S	93.1	Very high	90.1	Very high	15 Å²	15	50.6 Å²	50.6	11%	0.105	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130	172.3	-49.8	0	0	0	0	109.1	W54 Y55 A78 Q79	W54-S66 WeakPolarHBondContact CA-O 3.16Å; Y55-S66 PolarHBondContact N-O 2.82Å; Y55-S66 PolarHBondContact O-N 3.5Å; S66-A78 CarbonylContact C-O 3.18Å; S66-A78 WeakPolarHBondContact CA-O 3.45Å; S66-Q79 VanDerWaalsContact OG-CD 3.27Å; S66-Q79 VanDerWaalsContact OG-CG 3.23Å; S66-Q79 WeakPolarHBondContact OG-CG 3.28Å; S66-Q79 PolarHBondContact OG-OE1 2.87Å
67	V	95.6	Very high	90.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.3	169.3	58.8	0	0	0	0	108.3	Y52 W54 Q77 A78 A92 L96	Y52-V67 HydrophobicContact CD1-CG2 4.33Å; W54-V67 HydrophobicContact CD2-CB 4.16Å; W54-V67 HydrophobicContact CD2-CG2 4.07Å; W54-V67 HydrophobicContact CE3-CB 3.78Å; W54-V67 HydrophobicContact CE3-CG2 4.18Å; W54-V67 HydrophobicContact CH2-CB 3.71Å; W54-V67 HydrophobicContact CH2-CG1 4.3Å; W54-V67 HydrophobicContact CH2-CG2 3.73Å; W54-V67 HydrophobicContact CZ2-CB 4.09Å; W54-V67 HydrophobicContact CZ2-CG2 3.6Å; W54-V67 HydrophobicContact CZ3-CB 3.57Å; W54-V67 HydrophobicContact CZ3-CG1 4.3Å; W54-V67 HydrophobicContact CZ3-CG2 4.05Å; V67-Q77 WeakPolarHBondContact O-CA 3.12Å; V67-A78 HydrophobicContact CG1-CB 3.8Å; V67-A78 PolarHBondContact N-O 2.86Å; V67-A78 PolarHBondContact O-N 2.94Å; V67-A92 HydrophobicContact CG1-CB 4.24Å; V67-L96 HydrophobicContact CG1-CB 4.19Å; V67-L96 HydrophobicContact CG1-CD2 3.9Å; V67-L96 HydrophobicContact CG2-CD2 4Å
68	L	93.8	Very high	90.1	Very high	27 Å²	27	42.9 Å²	42.9	14%	0.141	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.8	172.2	-167	150.8	0	0	0	107.5	W10 Y52 H53 Y55 I75 L76	W10-L68 HydrophobicContact CZ2-CD1 4.16Å; Y52-L68 CarbonylContact C-O 3.56Å; Y52-L68 WeakPolarHBondContact CA-O 3.43Å; H53-L68 HydrophobicContact CB-CB 4.44Å; H53-L68 PolarHBondContact N-O 3.34Å; H53-L68 PolarHBondContact O-N 3.4Å; Y55-L68 HydrophobicContact CE2-CB 4.19Å; L68-I75 HydrophobicContact CD1-CG2 4Å; L68-I75 HydrophobicContact CD2-CD1 4.24Å; L68-I75 HydrophobicContact CD2-CG1 4.35Å; L68-I75 HydrophobicContact CD2-CG2 3.76Å; L68-I75 HydrophobicContact CG-CG2 3.65Å; L68-L76 CarbonylContact C-O 3.42Å; L68-L76 WeakPolarHBondContact CA-O 3.49Å
69	M	94.4	Very high	90.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.6	173.6	173.1	-176.3	-176.4	0	0	108.4	L42 I50 S51 Y52 W71 I75 L76 L96 L100	L42-M69 HydrophobicContact CD2-CE 3.79Å; I50-M69 HydrophobicContact CD1-CE 3.74Å; I50-M69 HydrophobicContact CG1-CE 4.12Å; I50-M69 HydrophobicContact CG2-CE 3.68Å; I50-M69 HydrophobicContact CG2-CG 4.3Å; S51-M69 WeakPolarHBondContact O-CA 3.47Å; Y52-M69 HydrophobicContact CD1-CB 3.71Å; Y52-M69 HydrophobicContact CD1-CG 3.88Å; Y52-M69 HydrophobicContact CE1-CB 3.76Å; Y52-M69 HydrophobicContact CE1-CE 4.3Å; Y52-M69 HydrophobicContact CE1-CG 3.49Å; Y52-M69 VanDerWaalsContact CE1-CG 3.49Å; Y52-M69 HydrophobicContact CE1-SD 3.78Å; M69-W71 HydrophobicContact CE-CB 4.4Å; M69-W71 HydrophobicContact CE-CD2 4.01Å; M69-W71 HydrophobicContact CE-CE3 3.27Å; M69-W71 HydrophobicContact CE-CZ3 3.8Å; M69-I75 CarbonylContact O-C 3.6Å; M69-I75 WeakPolarHBondContact O-CA 3.27Å; M69-L76 HydrophobicContact CB-CB 4.21Å; M69-L76 HydrophobicContact CG-CD1 4.33Å; M69-L76 PolarHBondContact N-O 3.48Å; M69-L76 PolarHBondContact O-N 3.26Å; M69-L76 HydrophobicContact SD-CD1 3.87Å; M69-L96 HydrophobicContact CB-CD2 3.84Å; M69-L96 HydrophobicContact SD-CD1 4.25Å; M69-L96 HydrophobicContact SD-CD2 4.1Å; M69-L96 HydrophobicContact SD-CG 4.46Å; M69-L100 HydrophobicContact CE-CD1 4.21Å; M69-L100 HydrophobicContact SD-CD1 3.98Å; M69-L100 HydrophobicContact SD-CD2 4.42Å
70	R	91.1	Very high	90.4	Very high	68 Å²	68	40 Å²	40	26%	0.257	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.8	167.7	-177.9	-178.5	178.3	122.3	22.8	108.3	V5 I50 S51 D72	V5-R70 VanDerWaalsContact CG1-NH2 3.25Å; V5-R70 PolarHBondContact O-NH2 2.94Å; I50-R70 VanDerWaalsContact CA-O 3.23Å; I50-R70 WeakPolarHBondContact CA-O 3.27Å; S51-R70 PolarHBondContact N-O 3.37Å; S51-R70 PolarHBondContact O-N 2.87Å; R70-D72 PolarHBondContact NE-O 2.98Å; R70-D72 PolarHBondContact NH2-O 3.17Å; R70-D72 VanDerWaalsContact NH2-O 3.12Å
71	W	90.6	Very high	90.6	Very high	40 Å²	40	33.6 Å²	33.6	15%	0.152	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	98.6	171.8	-164.9	-24.8	0	0	0	108.6	L42 Y46 R49 I50 M69 S73 L74 L100 W105	L42-W71 HydrophobicContact CD2-CZ3 4.35Å; Y46-W71 HydrophobicContact CD1-CZ2 4.35Å; Y46-W71 HydrophobicContact CD2-CZ2 4.21Å; Y46-W71 HydrophobicContact CE1-CZ2 4.21Å; Y46-W71 HydrophobicContact CE2-CH2 4.32Å; Y46-W71 HydrophobicContact CE2-CZ2 4.07Å; Y46-W71 HydrophobicContact CG-CZ2 4.35Å; R49-W71 WeakPolarHBondContact O-CA 3.41Å; I50-W71 HydrophobicContact CD1-CD2 3.66Å; I50-W71 HydrophobicContact CD1-CE3 3.93Å; I50-W71 HydrophobicContact CD1-CG 4.17Å; I50-W71 HydrophobicContact CD1-CH2 4.11Å; I50-W71 HydrophobicContact CD1-CZ2 3.88Å; I50-W71 HydrophobicContact CD1-CZ3 4.14Å; I50-W71 HydrophobicContact CG1-CB 4.29Å; I50-W71 HydrophobicContact CG1-CD2 3.81Å; I50-W71 HydrophobicContact CG1-CE3 4.43Å; I50-W71 HydrophobicContact CG1-CG 3.74Å; M69-W71 HydrophobicContact CE-CB 4.4Å; M69-W71 HydrophobicContact CE-CD2 4.01Å; M69-W71 HydrophobicContact CE-CE3 3.27Å; M69-W71 HydrophobicContact CE-CZ3 3.8Å; W71-S73 PolarHBondContact O-N 3.42Å; W71-L74 PolarHBondContact N-O 3.34Å; W71-L74 WeakPolarHBondContact O-CB 3.46Å; W71-L74 PolarHBondContact O-N 3Å; W71-L100 HydrophobicContact CZ3-CD2 4.19Å; W71-W105 HydrophobicContact CZ3-CB 4.43Å
72	D	87.7	Confident	91	Very high	63 Å²	63	25.7 Å²	25.7	34%	0.337	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-108	-173.6	-60.7	-46.2	0	0	0	112.2	V5 R49 R70	V5-D72 WeakPolarHBondContact CG1-O 3.34Å; R49-D72 VanDerWaalsContact CB-OD1 3.29Å; R49-D72 WeakPolarHBondContact CB-OD1 3.01Å; R49-D72 WeakPolarHBondContact CD-OD1 3.27Å; R49-D72 VanDerWaalsContact CG-OD1 3.29Å; R49-D72 WeakPolarHBondContact CG-OD1 3.13Å; R49-D72 PolarHBondContact O-N 3.39Å; R70-D72 PolarHBondContact NE-O 2.98Å; R70-D72 PolarHBondContact NH2-O 3.17Å; R70-D72 VanDerWaalsContact NH2-O 3.12Å
73	S	83.8	Confident	91	Very high	45 Å²	45	30.6 Å²	30.6	32%	0.315	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-2.2	177.9	57.9	0	0	0	0	114	I6 I7 T8 W71	I6-S73 WeakPolarHBondContact O-CB 3.36Å; I7-S73 WeakPolarHBondContact CA-O 3.45Å; T8-S73 PolarHBondContact N-O 3.3Å; T8-S73 PolarHBondContact OG1-O 3.27Å; T8-S73 PolarHBondContact OG1-OG 3.41Å; W71-S73 PolarHBondContact O-N 3.42Å
74	L	87	Confident	90.9	Very high	23 Å²	23	33 Å²	33	12%	0.12	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	137.4	178.7	179.1	67.3	0	0	0	110.2	Q9 I11 W71 L76 W105	Q9-L74 HydrophobicContact CB-CD1 3.58Å; Q9-L74 WeakPolarHBondContact O-CA 3.39Å; I11-L74 HydrophobicContact CD1-CD1 3.86Å; I11-L74 HydrophobicContact CD1-CD2 4.33Å; I11-L74 HydrophobicContact CG1-CD1 4.01Å; W71-L74 PolarHBondContact N-O 3.34Å; W71-L74 WeakPolarHBondContact O-CB 3.46Å; W71-L74 PolarHBondContact O-N 3Å; L74-L76 HydrophobicContact CD2-CD1 3.94Å; L74-L76 HydrophobicContact CD2-CG 4.24Å; L74-L76 HydrophobicContact CG-CD1 4.34Å; L74-L76 HydrophobicContact CG-CG 4.38Å; L74-W105 HydrophobicContact CD2-CH2 3.72Å; L74-W105 HydrophobicContact CD2-CZ3 3.58Å
75	I	89.7	Confident	90.8	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.051	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.8	165.6	-69.9	-179.1	0	0	0	109.2	I7 Q9 W10 I11 L68 M69	I7-I75 HydrophobicContact CD1-CD1 3.4Å; I7-I75 VanDerWaalsContact CD1-CD1 3.4Å; I7-I75 HydrophobicContact CD1-CG1 4.39Å; I7-I75 HydrophobicContact CG1-CD1 3.78Å; I7-I75 HydrophobicContact CG1-CG1 4.25Å; I7-I75 HydrophobicContact CG2-CD1 3.93Å; I7-I75 HydrophobicContact CG2-CG1 4.09Å; Q9-I75 PolarHBondContact O-N 2.81Å; W10-I75 CarbonylContact C-O 3.59Å; W10-I75 WeakPolarHBondContact CA-O 3.08Å; W10-I75 HydrophobicContact CD2-CB 4.38Å; W10-I75 HydrophobicContact CD2-CG2 4.04Å; W10-I75 HydrophobicContact CG-CB 4.18Å; W10-I75 HydrophobicContact CG-CG2 4.06Å; I11-I75 PolarHBondContact N-O 3.46Å; L68-I75 HydrophobicContact CD1-CG2 4Å; L68-I75 HydrophobicContact CD2-CD1 4.24Å; L68-I75 HydrophobicContact CD2-CG1 4.35Å; L68-I75 HydrophobicContact CD2-CG2 3.76Å; L68-I75 HydrophobicContact CG-CG2 3.65Å; M69-I75 CarbonylContact O-C 3.6Å; M69-I75 WeakPolarHBondContact O-CA 3.27Å
76	L	92.3	Very high	90.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.8	168	-66.2	128.3	0	0	0	108.5	I11 I13 L68 M69 L74 L96 F99 L100 W105	I11-L76 HydrophobicContact CB-CD2 4.01Å; I11-L76 HydrophobicContact CB-CG 4.48Å; I11-L76 HydrophobicContact CD1-CD2 4.12Å; I11-L76 HydrophobicContact CG2-CD2 4.17Å; I11-L76 CarbonylContact O-C 3.48Å; I11-L76 WeakPolarHBondContact O-CA 3.21Å; I13-L76 HydrophobicContact CD1-CD2 4.47Å; L68-L76 CarbonylContact C-O 3.42Å; L68-L76 WeakPolarHBondContact CA-O 3.49Å; M69-L76 HydrophobicContact CB-CB 4.21Å; M69-L76 HydrophobicContact CG-CD1 4.33Å; M69-L76 PolarHBondContact N-O 3.48Å; M69-L76 PolarHBondContact O-N 3.26Å; M69-L76 HydrophobicContact SD-CD1 3.87Å; L74-L76 HydrophobicContact CD2-CD1 3.94Å; L74-L76 HydrophobicContact CD2-CG 4.24Å; L74-L76 HydrophobicContact CG-CD1 4.34Å; L74-L76 HydrophobicContact CG-CG 4.38Å; L76-L96 HydrophobicContact CB-CD1 4.03Å; L76-F99 HydrophobicContact CD2-CD1 3.65Å; L76-F99 HydrophobicContact CD2-CE1 3.35Å; L76-F99 HydrophobicContact CD2-CZ 4.24Å; L76-L100 HydrophobicContact CD1-CD2 4.41Å; L76-W105 HydrophobicContact CD1-CZ3 4.03Å; L76-W105 HydrophobicContact CD2-CZ3 3.86Å; L76-W105 HydrophobicContact CG-CZ3 4.44Å
77	Q	93.2	Very high	90.5	Very high	46 Å²	46	45 Å²	45	22%	0.215	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.9	177.5	-178.8	-177.9	-0.6	0	0	109.5	W10 I11 I13 V67	W10-Q77 VanDerWaalsContact CZ2-OE1 3.26Å; W10-Q77 VanDerWaalsContact NE1-OE1 3.08Å; I11-Q77 PolarHBondContact O-N 3.48Å; I13-Q77 WeakPolarHBondContact CB-O 3.32Å; I13-Q77 PolarHBondContact N-O 3.02Å; V67-Q77 WeakPolarHBondContact O-CA 3.12Å
78	A	93.5	Very high	90.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.4	167.1	0	0	0	0	0	109.2	I13 S66 V67 L95 L96	I13-A78 HydrophobicContact CB-CB 4.28Å; I13-A78 HydrophobicContact CD1-CB 4.18Å; S66-A78 CarbonylContact C-O 3.18Å; S66-A78 WeakPolarHBondContact CA-O 3.45Å; V67-A78 HydrophobicContact CG1-CB 3.8Å; V67-A78 PolarHBondContact N-O 2.86Å; V67-A78 PolarHBondContact O-N 2.94Å; A78-L95 HydrophobicContact CB-CD2 4.25Å; A78-L95 HydrophobicContact CB-CG 4.38Å; A78-L96 HydrophobicContact CB-CB 4.1Å
79	Q	91.7	Very high	90.3	Very high	80 Å²	80	47.9 Å²	47.9	37%	0.374	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.1	-179.4	177.6	169.3	-40	0	0	110	Q15 T64 K65 S66	Q15-Q79 WeakPolarHBondContact CB-O 3.48Å; T64-Q79 HydrophobicContact CG2-CG 3.51Å; T64-Q79 VanDerWaalsContact CG2-NE2 3.31Å; K65-Q79 WeakPolarHBondContact O-CA 3.3Å; S66-Q79 VanDerWaalsContact OG-CD 3.27Å; S66-Q79 VanDerWaalsContact OG-CG 3.23Å; S66-Q79 WeakPolarHBondContact OG-CG 3.28Å; S66-Q79 PolarHBondContact OG-OE1 2.87Å
80	V	92.2	Very high	90.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	133.2	176.9	179.6	0	0	0	0	111.4	Q15 L21 T64 K65 L91 A92 L95	Q15-V80 VanDerWaalsContact OE1-CA 3.24Å; L21-V80 HydrophobicContact CD1-CG2 4.49Å; L21-V80 HydrophobicContact CD2-CG1 3.84Å; T64-V80 WeakPolarHBondContact CA-O 3.49Å; K65-V80 PolarHBondContact N-O 2.88Å; K65-V80 PolarHBondContact O-N 3.49Å; V80-L91 HydrophobicContact CB-CB 4.32Å; V80-L91 HydrophobicContact CG1-CB 3.76Å; V80-L91 HydrophobicContact CG1-CD1 4.05Å; V80-L91 HydrophobicContact CG2-CB 4.28Å; V80-A92 HydrophobicContact CB-CB 4.23Å; V80-A92 HydrophobicContact CG2-CB 4.04Å; V80-L95 HydrophobicContact CG2-CD2 3.99Å
81	T	89.8	Confident	90.3	Very high	45 Å²	45	49.2 Å²	49.2	28%	0.276	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	130	171.7	-50.9	0	0	0	0	110.8	V63 T64	V63-T81 CarbonylContact O-C 3.57Å; V63-T81 VanDerWaalsContact O-CA 3.27Å; V63-T81 WeakPolarHBondContact O-CA 3.49Å; T64-T81 PolarHBondContact OG1-OG1 3.1Å
82	A	88.9	Confident	90.5	Very high	13 Å²	13	47.3 Å²	47.3	11%	0.107	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	-174.1	175.7	0	0	0	0	0	111	V63 E87 T88 L91	V63-A82 PolarHBondContact N-O 3.4Å; V63-A82 PolarHBondContact O-N 3.36Å; A82-E87 HydrophobicContact CB-CG 4.11Å; A82-T88 HydrophobicContact CB-CG2 3.58Å; A82-T88 VanDerWaalsContact N-CG2 3.28Å; A82-L91 HydrophobicContact CB-CD1 4.35Å
83	V	86.8	Confident	90.8	Very high	120 Å²	120	44.3 Å²	44.3	73%	0.727	23%	0.227	S	C	*	.	S	Bend	trans	-73.3	-36.6	-171.4	-173.3	0	0	0	0	112.2
84	T	89.7	Confident	91.2	Very high	65 Å²	65	42.6 Å²	42.6	40%	0.399	21%	0.214	S	C	.	.			trans	-123.8	151.3	-173.3	73.7	0	0	0	0	113.7	K86 E87 T88	T84-K86 VanDerWaalsContact C-N 3.25Å; T84-K86 PolarHBondContact O-N 2.99Å; T84-E87 PolarHBondContact O-N 3.32Å; T84-E87 WeakPolarHBondContact OG1-CB 3.45Å; T84-E87 PolarHBondContact OG1-N 3.19Å; T84-T88 WeakPolarHBondContact O-CB 3.21Å; T84-T88 VanDerWaalsContact O-CG2 3.3Å; T84-T88 WeakPolarHBondContact O-CG2 3.37Å; T84-T88 PolarHBondContact O-N 3.18Å; T84-T88 PolarHBondContact O-OG1 2.83Å
85	V	88.9	Confident	91.3	Very high	71 Å²	71	41.5 Å²	41.5	43%	0.43	21%	0.209	S	C	.	.	H	α-helix	trans	-57.4	-37.4	174.5	177.4	0	0	0	0	112.2	V63 K65 T88 K89	V63-V85 HydrophobicContact CG1-CB 4.42Å; V63-V85 HydrophobicContact CG1-CG2 3.81Å; V63-V85 HydrophobicContact CG2-CG2 4.17Å; K65-V85 VanDerWaalsContact CE-CG1 3.46Å; V85-T88 VanDerWaalsContact C-OG1 3.31Å; V85-T88 VanDerWaalsContact CA-OG1 3.32Å; V85-T88 WeakPolarHBondContact CA-OG1 3.48Å; V85-T88 PolarHBondContact O-OG1 2.82Å; V85-K89 WeakPolarHBondContact O-CB 3.34Å; V85-K89 PolarHBondContact O-N 3.31Å
86	K	90.6	Very high	91.4	Very high	182 Å²	182	41 Å²	41	79%	0.791	21%	0.206	S	C	*	.	H	α-helix	trans	-70.6	-45.3	-178.7	-175.1	-179.6	178.3	-176.9	0	111.1	T84 R90	T84-K86 VanDerWaalsContact C-N 3.25Å; T84-K86 PolarHBondContact O-N 2.99Å; K86-R90 WeakPolarHBondContact O-CB 3.37Å; K86-R90 PolarHBondContact O-N 2.83Å; K86-R90 VanDerWaalsContact O-N 3.13Å
87	E	89.6	Confident	91.3	Very high	48 Å²	48	41 Å²	41	22%	0.224	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-49.9	179.2	-178.4	178.7	-161.2	0	0	111.6	A82 T84 K89 R90 L91	A82-E87 HydrophobicContact CB-CG 4.11Å; T84-E87 PolarHBondContact O-N 3.32Å; T84-E87 WeakPolarHBondContact OG1-CB 3.45Å; T84-E87 PolarHBondContact OG1-N 3.19Å; E87-K89 VanDerWaalsContact C-N 3.34Å; E87-K89 PolarHBondContact O-N 2.97Å; E87-R90 WeakPolarHBondContact O-CB 3.33Å; E87-R90 PolarHBondContact O-N 3.26Å; E87-R90 VanDerWaalsContact O-N 3.11Å; E87-L91 HydrophobicContact CG-CD1 3.78Å; E87-L91 HydrophobicContact CG-CG 4.28Å; E87-L91 WeakPolarHBondContact O-CG 3.41Å; E87-L91 PolarHBondContact O-N 3.09Å
88	T	91.7	Very high	90.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.3	-43.7	177.4	46.9	0	0	0	0	112.5	V63 K65 A82 T84 V85 R90 L91 A92	V63-T88 HydrophobicContact CB-CG2 4.16Å; V63-T88 HydrophobicContact CG1-CG2 4.25Å; V63-T88 WeakPolarHBondContact O-CG2 3.38Å; K65-T88 WeakPolarHBondContact CG-OG1 3.36Å; A82-T88 HydrophobicContact CB-CG2 3.58Å; A82-T88 VanDerWaalsContact N-CG2 3.28Å; T84-T88 WeakPolarHBondContact O-CB 3.21Å; T84-T88 VanDerWaalsContact O-CG2 3.3Å; T84-T88 WeakPolarHBondContact O-CG2 3.37Å; T84-T88 PolarHBondContact O-N 3.18Å; T84-T88 PolarHBondContact O-OG1 2.83Å; V85-T88 VanDerWaalsContact C-OG1 3.31Å; V85-T88 VanDerWaalsContact CA-OG1 3.32Å; V85-T88 WeakPolarHBondContact CA-OG1 3.48Å; V85-T88 PolarHBondContact O-OG1 2.82Å; T88-R90 VanDerWaalsContact C-N 3.34Å; T88-R90 PolarHBondContact O-N 2.85Å; T88-L91 PolarHBondContact O-N 2.88Å; T88-A92 WeakPolarHBondContact O-CB 3.44Å; T88-A92 PolarHBondContact O-N 3.33Å
89	K	93.8	Very high	90.5	Very high	87 Å²	87	40.6 Å²	40.6	38%	0.378	20%	0.204	S	C	.	.	H	α-helix	trans	-61.9	-42.8	176.1	-175.9	176.2	-177.8	177.4	0	111.7	W54 K65 V85 E87 A93	W54-K89 HydrophobicContact CE3-CG 4.06Å; W54-K89 HydrophobicContact CH2-CG 4.2Å; W54-K89 HydrophobicContact CZ3-CG 3.76Å; K65-K89 HydrophobicContact CG-CB 4.42Å; V85-K89 WeakPolarHBondContact O-CB 3.34Å; V85-K89 PolarHBondContact O-N 3.31Å; E87-K89 VanDerWaalsContact C-N 3.34Å; E87-K89 PolarHBondContact O-N 2.97Å; K89-A93 WeakPolarHBondContact O-CB 3.23Å; K89-A93 PolarHBondContact O-N 2.97Å; K89-A93 VanDerWaalsContact O-N 3.13Å
90	R	93.2	Very high	90.1	Very high	95 Å²	95	36.8 Å²	36.8	36%	0.358	19%	0.186	S	C	.	.	H	α-helix	trans	-63.7	-52.2	177.7	178	178.8	65.8	161.5	7.2	110.9	H25 K86 E87 T88 A92 A93 E94	H25-R90 PolarHBondContact CE1-NE 2.88Å; H25-R90 PolarHBondContact CE1-NH1 2.77Å; H25-R90 PolarHBondContact CE1-NH2 3.48Å; H25-R90 VanDerWaalsContact NE2-CZ 3.32Å; H25-R90 PolarHBondContact NE2-NH1 3.37Å; H25-R90 PolarHBondContact NE2-NH2 3.47Å; K86-R90 WeakPolarHBondContact O-CB 3.37Å; K86-R90 PolarHBondContact O-N 2.83Å; K86-R90 VanDerWaalsContact O-N 3.13Å; E87-R90 WeakPolarHBondContact O-CB 3.33Å; E87-R90 PolarHBondContact O-N 3.26Å; E87-R90 VanDerWaalsContact O-N 3.11Å; T88-R90 VanDerWaalsContact C-N 3.34Å; T88-R90 PolarHBondContact O-N 2.85Å; R90-A92 PolarHBondContact O-N 3.37Å; R90-A93 WeakPolarHBondContact O-CB 3.22Å; R90-A93 PolarHBondContact O-N 3.13Å; R90-E94 WeakPolarHBondContact CG-OE1 3.49Å; R90-E94 WeakPolarHBondContact O-CG 3.26Å; R90-E94 PolarHBondContact O-N 2.98Å
91	L	92.1	Very high	89.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-39.2	-178.7	-66.7	174.9	0	0	0	112.3	W18 L21 M22 H25 V80 A82 E87 T88 A93 E94 L95	W18-L91 HydrophobicContact CH2-CD1 4.47Å; W18-L91 HydrophobicContact CZ3-CD1 4.35Å; L21-L91 HydrophobicContact CD1-CB 4.48Å; L21-L91 HydrophobicContact CD2-CD1 4.11Å; L21-L91 HydrophobicContact CG-CD2 4.37Å; M22-L91 HydrophobicContact CE-CD1 3.99Å; M22-L91 HydrophobicContact CE-CD2 3.77Å; H25-L91 HydrophobicContact CB-CD2 3.82Å; V80-L91 HydrophobicContact CB-CB 4.32Å; V80-L91 HydrophobicContact CG1-CB 3.76Å; V80-L91 HydrophobicContact CG1-CD1 4.05Å; V80-L91 HydrophobicContact CG2-CB 4.28Å; A82-L91 HydrophobicContact CB-CD1 4.35Å; E87-L91 HydrophobicContact CG-CD1 3.78Å; E87-L91 HydrophobicContact CG-CG 4.28Å; E87-L91 WeakPolarHBondContact O-CG 3.41Å; E87-L91 PolarHBondContact O-N 3.09Å; T88-L91 PolarHBondContact O-N 2.88Å; L91-A93 VanDerWaalsContact C-N 3.34Å; L91-A93 PolarHBondContact O-N 3.49Å; L91-E94 PolarHBondContact O-N 2.85Å; L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 PolarHBondContact O-N 3.11Å
92	A	93.5	Very high	88.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.6	-38.6	175.4	0	0	0	0	0	112.1	W54 V67 V80 T88 R90 L96	W54-A92 HydrophobicContact CZ3-CB 4.24Å; V67-A92 HydrophobicContact CG1-CB 4.24Å; V80-A92 HydrophobicContact CB-CB 4.23Å; V80-A92 HydrophobicContact CG2-CB 4.04Å; T88-A92 WeakPolarHBondContact O-CB 3.44Å; T88-A92 PolarHBondContact O-N 3.33Å; R90-A92 PolarHBondContact O-N 3.37Å; A92-L96 WeakPolarHBondContact O-CB 3.43Å; A92-L96 PolarHBondContact O-N 3.18Å; A92-L96 VanDerWaalsContact O-N 3.09Å
93	A	94.6	Very high	88.1	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-43.5	173.1	0	0	0	0	0	112	A35 L36 L39 W54 K89 R90 L91 L96 A97	A35-A93 HydrophobicContact CB-CB 4.32Å; L36-A93 HydrophobicContact CD2-CB 3.51Å; L36-A93 HydrophobicContact CG-CB 3.7Å; L39-A93 HydrophobicContact CD1-CB 3.91Å; W54-A93 HydrophobicContact CH2-CB 3.98Å; K89-A93 WeakPolarHBondContact O-CB 3.23Å; K89-A93 PolarHBondContact O-N 2.97Å; K89-A93 VanDerWaalsContact O-N 3.13Å; R90-A93 WeakPolarHBondContact O-CB 3.22Å; R90-A93 PolarHBondContact O-N 3.13Å; L91-A93 VanDerWaalsContact C-N 3.34Å; L91-A93 PolarHBondContact O-N 3.49Å; A93-L96 PolarHBondContact O-N 2.85Å; A93-A97 VanDerWaalsContact O-CB 3.26Å; A93-A97 WeakPolarHBondContact O-CB 3.32Å; A93-A97 PolarHBondContact O-N 3.45Å
94	E	91.6	Very high	87.4	Confident	10 Å²	10	36.2 Å²	36.2	5%	0.047	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-44.5	177.8	-72	168.1	-178.5	0	0	111.3	V24 H25 Y28 A35 R90 L91 L96 A97 H98	V24-E94 HydrophobicContact CG1-CB 4.25Å; H25-E94 WeakPolarHBondContact CA-OE2 3.4Å; H25-E94 IonicContact CE1-OE1 2.79Å; H25-E94 IonicContact CE1-OE2 2.63Å; H25-E94 IonicContact CG-OE2 3.92Å; H25-E94 IonicContact ND1-OE1 2.92Å; H25-E94 PolarHBondContact ND1-OE1 2.79Å; H25-E94 VanDerWaalsContact ND1-OE1 3.16Å; H25-E94 IonicContact ND1-OE2 2.88Å; H25-E94 PolarHBondContact ND1-OE2 3.13Å; Y28-E94 HydrophobicContact CD2-CB 4Å; Y28-E94 HydrophobicContact CD2-CG 4.07Å; Y28-E94 HydrophobicContact CG-CB 4.45Å; Y28-E94 HydrophobicContact CG-CG 4.02Å; A35-E94 HydrophobicContact CB-CB 4.12Å; A35-E94 HydrophobicContact CB-CG 3.52Å; R90-E94 WeakPolarHBondContact CG-OE1 3.49Å; R90-E94 WeakPolarHBondContact O-CG 3.26Å; R90-E94 PolarHBondContact O-N 2.98Å; L91-E94 PolarHBondContact O-N 2.85Å; E94-L96 PolarHBondContact O-N 2.93Å; E94-A97 PolarHBondContact O-N 3.13Å; E94-H98 WeakPolarHBondContact O-CB 3.49Å; E94-H98 PolarHBondContact O-N 3.21Å
95	L	89.6	Confident	87.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-47.2	176.5	-176.7	59.9	0	0	0	111.8	I13 P16 A78 V80 L91 H98 F99 F252	I13-L95 HydrophobicContact CG2-CD1 4.15Å; I13-L95 HydrophobicContact CG2-CD2 4.16Å; I13-L95 HydrophobicContact CG2-CG 3.94Å; P16-L95 HydrophobicContact CG-CD1 4.04Å; A78-L95 HydrophobicContact CB-CD2 4.25Å; A78-L95 HydrophobicContact CB-CG 4.38Å; V80-L95 HydrophobicContact CG2-CD2 3.99Å; L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 PolarHBondContact O-N 3.11Å; L95-H98 PolarHBondContact O-N 3.46Å; L95-F99 PolarHBondContact O-N 3.29Å; L95-F252 HydrophobicContact CD1-CD2 3.82Å; L95-F252 HydrophobicContact CD1-CE2 4.25Å; L95-F252 HydrophobicContact CD1-CG 4.43Å
96	L	91.4	Very high	86.7	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.2	-45.3	177.1	178.9	62.1	0	0	0	111.9	I13 L39 Y52 V67 M69 L76 A78 A92 A93 E94 H98 F99 L100	I13-L96 HydrophobicContact CD1-CD1 3.75Å; L39-L96 HydrophobicContact CD1-CD2 4.01Å; L39-L96 HydrophobicContact CD2-CD2 4.12Å; L39-L96 HydrophobicContact CD2-CG 4.21Å; Y52-L96 HydrophobicContact CE1-CD2 4.25Å; V67-L96 HydrophobicContact CG1-CB 4.19Å; V67-L96 HydrophobicContact CG1-CD2 3.9Å; V67-L96 HydrophobicContact CG2-CD2 4Å; M69-L96 HydrophobicContact CB-CD2 3.84Å; M69-L96 HydrophobicContact SD-CD1 4.25Å; M69-L96 HydrophobicContact SD-CD2 4.1Å; M69-L96 HydrophobicContact SD-CG 4.46Å; L76-L96 HydrophobicContact CB-CD1 4.03Å; A78-L96 HydrophobicContact CB-CB 4.1Å; A92-L96 WeakPolarHBondContact O-CB 3.43Å; A92-L96 PolarHBondContact O-N 3.18Å; A92-L96 VanDerWaalsContact O-N 3.09Å; A93-L96 PolarHBondContact O-N 2.85Å; E94-L96 PolarHBondContact O-N 2.93Å; L96-H98 VanDerWaalsContact C-N 3.26Å; L96-H98 PolarHBondContact O-N 2.81Å; L96-F99 VanDerWaalsContact O-CB 3.32Å; L96-F99 WeakPolarHBondContact O-CB 3.14Å; L96-F99 PolarHBondContact O-N 3.27Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3.31Å; L96-L100 VanDerWaalsContact O-N 3.08Å
97	A	90.2	Very high	86.3	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.6	-37.4	177.6	0	0	0	0	0	111.4	Y28 A35 L39 A93 E94 L100 F101	Y28-A97 HydrophobicContact CE1-CB 4.16Å; Y28-A97 PolarHBondContact OH-O 3.13Å; A35-A97 HydrophobicContact CB-CB 3.87Å; L39-A97 HydrophobicContact CD2-CB 4.32Å; L39-A97 HydrophobicContact CG-CB 4.5Å; A93-A97 VanDerWaalsContact O-CB 3.26Å; A93-A97 WeakPolarHBondContact O-CB 3.32Å; A93-A97 PolarHBondContact O-N 3.45Å; E94-A97 PolarHBondContact O-N 3.13Å; A97-L100 PolarHBondContact O-N 2.97Å; A97-F101 WeakPolarHBondContact O-CB 3.29Å; A97-F101 PolarHBondContact O-N 3.19Å
98	H	85.6	Confident	85.7	Confident	30 Å²	30	33.6 Å²	33.6	14%	0.139	17%	0.167	C	C	.	.	H	α-helix	trans	-66.3	-41.5	176.4	-157.2	56.3	0	0	0	111.1	V24 Y28 E94 L95 L96 L100 F101 C102 F252	V24-H98 HydrophobicContact CG1-CB 3.8Å; Y28-H98 HydrophobicContact CE2-CB 3.89Å; Y28-H98 AromaticContact CE2-ND1 3.87Å; Y28-H98 WeakPolarHBondContact OH-CA 3.48Å; Y28-H98 PolarHBondContact OH-N 3.07Å; Y28-H98 VanDerWaalsContact OH-N 3.13Å; E94-H98 WeakPolarHBondContact O-CB 3.49Å; E94-H98 PolarHBondContact O-N 3.21Å; L95-H98 PolarHBondContact O-N 3.46Å; L96-H98 VanDerWaalsContact C-N 3.26Å; L96-H98 PolarHBondContact O-N 2.81Å; H98-L100 VanDerWaalsContact C-N 3.34Å; H98-L100 PolarHBondContact O-N 3.34Å; H98-F101 WeakPolarHBondContact O-CB 3.4Å; H98-F101 PolarHBondContact O-N 3.44Å; H98-F101 VanDerWaalsContact O-N 3.17Å; H98-C102 WeakPolarHBondContact O-CB 3.47Å; H98-C102 PolarHBondContact O-N 3.17Å; H98-C102 PolarHBondContact O-SG 2.92Å; H98-F252 HydrophobicContact CB-CZ 4.2Å; H98-F252 AromaticContact CD2-CD1 3.85Å; H98-F252 AromaticContact CD2-CE1 3.23Å; H98-F252 WeakPolarHBondContact CD2-CE1 3.42Å; H98-F252 AromaticContact CD2-CZ 3.66Å; H98-F252 AromaticContact NE2-CE1 3.89Å
99	F	84.2	Confident	85.2	Confident	7 Å²	7	39.7 Å²	39.7	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-52.3	-52.5	171.7	-174.2	-96	0	0	0	112	I11 I13 L76 L95 L96 F101 C102 S103 W105 I230 V250 F252	I11-F99 HydrophobicContact CG2-CE2 4.43Å; I11-F99 HydrophobicContact CG2-CZ 4Å; I13-F99 HydrophobicContact CD1-CB 3.61Å; I13-F99 HydrophobicContact CD1-CD1 3.92Å; I13-F99 HydrophobicContact CD1-CD2 3.96Å; I13-F99 HydrophobicContact CD1-CG 3.52Å; I13-F99 HydrophobicContact CG1-CB 4.37Å; I13-F99 HydrophobicContact CG1-CD1 4.49Å; I13-F99 HydrophobicContact CG1-CD2 3.83Å; I13-F99 HydrophobicContact CG1-CE2 4.27Å; I13-F99 HydrophobicContact CG1-CG 3.95Å; I13-F99 HydrophobicContact CG2-CD2 4.5Å; L76-F99 HydrophobicContact CD2-CD1 3.65Å; L76-F99 HydrophobicContact CD2-CE1 3.35Å; L76-F99 HydrophobicContact CD2-CZ 4.24Å; L95-F99 PolarHBondContact O-N 3.29Å; L96-F99 VanDerWaalsContact O-CB 3.32Å; L96-F99 WeakPolarHBondContact O-CB 3.14Å; L96-F99 PolarHBondContact O-N 3.27Å; F99-F101 VanDerWaalsContact C-N 3.27Å; F99-F101 PolarHBondContact O-N 3.37Å; F99-C102 PolarHBondContact O-N 2.75Å; F99-S103 WeakPolarHBondContact CE1-OG 3.32Å; F99-S103 WeakPolarHBondContact CZ-OG 3.2Å; F99-S103 VanDerWaalsContact O-CB 3.28Å; F99-S103 WeakPolarHBondContact O-CB 3.21Å; F99-S103 PolarHBondContact O-N 3.45Å; F99-S103 PolarHBondContact O-OG 3.28Å; F99-W105 HydrophobicContact CE1-CE3 4.43Å; F99-W105 HydrophobicContact CE1-CH2 4.31Å; F99-W105 HydrophobicContact CE1-CZ3 4.05Å; F99-I230 HydrophobicContact CD2-CD1 4.03Å; F99-I230 HydrophobicContact CE2-CD1 3.86Å; F99-I230 HydrophobicContact CE2-CG2 3.92Å; F99-I230 HydrophobicContact CZ-CD1 4.48Å; F99-V250 HydrophobicContact CE2-CB 4.48Å; F99-V250 HydrophobicContact CE2-CG1 3.91Å; F99-F252 HydrophobicContact CB-CE2 3.68Å; F99-F252 HydrophobicContact CB-CZ 4.07Å; F99-F252 AromaticContact CD2-CE2 3.76Å; F99-F252 HydrophobicContact CD2-CE2 3.76Å; F99-F252 HydrophobicContact CD2-CZ 4.32Å; F99-F252 HydrophobicContact CG-CE2 4.22Å; F99-F252 VanDerWaalsContact N-CZ 3.32Å
100	L	85	Confident	84.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.6	-34.8	-178.8	-62.7	173.6	0	0	0	111.7	L39 L42 M69 W71 L76 L96 A97 H98 G104 W105 L106	L39-L100 HydrophobicContact CD2-CD1 3.98Å; L42-L100 HydrophobicContact CD2-CD1 3.66Å; M69-L100 HydrophobicContact CE-CD1 4.21Å; M69-L100 HydrophobicContact SD-CD1 3.98Å; M69-L100 HydrophobicContact SD-CD2 4.42Å; W71-L100 HydrophobicContact CZ3-CD2 4.19Å; L76-L100 HydrophobicContact CD1-CD2 4.41Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3.31Å; L96-L100 VanDerWaalsContact O-N 3.08Å; A97-L100 PolarHBondContact O-N 2.97Å; H98-L100 VanDerWaalsContact C-N 3.34Å; H98-L100 PolarHBondContact O-N 3.34Å; L100-G104 PolarHBondContact O-N 3.4Å; L100-W105 HydrophobicContact CD2-CB 4.18Å; L100-W105 HydrophobicContact CD2-CD2 4.49Å; L100-W105 HydrophobicContact CD2-CE3 3.68Å; L100-W105 HydrophobicContact CD2-CZ3 4.48Å; L100-W105 PolarHBondContact O-N 3Å; L100-L106 HydrophobicContact CB-CD1 4.39Å; L100-L106 HydrophobicContact CB-CD2 3.76Å; L100-L106 HydrophobicContact CB-CG 3.65Å; L100-L106 HydrophobicContact CD1-CD2 4.09Å; L100-L106 PolarHBondContact O-N 3.28Å
101	F	81	Confident	84.1	Confident	55 Å²	55	34.5 Å²	34.5	24%	0.241	17%	0.174	C	C	.	.	H	α-helix	trans	-65.1	-52.8	174.8	176.7	-118.8	0	0	0	111.4	F27 A97 H98 F99 S103 G104 L106 Q111 P112	F27-F101 HydrophobicContact CZ-CE1 4.41Å; A97-F101 WeakPolarHBondContact O-CB 3.29Å; A97-F101 PolarHBondContact O-N 3.19Å; H98-F101 WeakPolarHBondContact O-CB 3.4Å; H98-F101 PolarHBondContact O-N 3.44Å; H98-F101 VanDerWaalsContact O-N 3.17Å; F99-F101 VanDerWaalsContact C-N 3.27Å; F99-F101 PolarHBondContact O-N 3.37Å; F101-S103 VanDerWaalsContact C-N 3.3Å; F101-S103 PolarHBondContact O-N 3.18Å; F101-G104 PolarHBondContact O-N 2.92Å; F101-L106 HydrophobicContact CB-CD1 3.84Å; F101-Q111 HydrophobicContact CD2-CB 4.46Å; F101-Q111 HydrophobicContact CD2-CG 4.22Å; F101-Q111 HydrophobicContact CE2-CB 4.35Å; F101-Q111 HydrophobicContact CE2-CG 4.3Å; F101-P112 HydrophobicContact CD2-CG 4.34Å; F101-P112 HydrophobicContact CG-CG 4.3Å
102	C	72.2	Confident	83	Confident	22 Å²	22	35.3 Å²	35.3	15%	0.149	18%	0.18	C	C	.	.	H	α-helix	trans	-68.1	-29.6	-177.6	-66.9	0	0	0	0	112.6	H98 F99 G104 M227 I230 F252	H98-C102 WeakPolarHBondContact O-CB 3.47Å; H98-C102 PolarHBondContact O-N 3.17Å; H98-C102 PolarHBondContact O-SG 2.92Å; F99-C102 PolarHBondContact O-N 2.75Å; C102-G104 PolarHBondContact O-N 3.06Å; C102-M227 HydrophobicContact CB-CE 4.43Å; C102-M227 WeakPolarHBondContact O-CE 3.34Å; C102-I230 HydrophobicContact CB-CD1 3.8Å; C102-I230 HydrophobicContact CB-CG1 4.18Å; C102-F252 HydrophobicContact CB-CE1 4.13Å; C102-F252 HydrophobicContact CB-CZ 4.22Å
103	S	75.7	Confident	81.7	Confident	35 Å²	35	40.5 Å²	40.5	25%	0.245	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-8.8	172.5	-55.5	0	0	0	0	113.2	F99 F101 W105 I230	F99-S103 WeakPolarHBondContact CE1-OG 3.32Å; F99-S103 WeakPolarHBondContact CZ-OG 3.2Å; F99-S103 VanDerWaalsContact O-CB 3.28Å; F99-S103 WeakPolarHBondContact O-CB 3.21Å; F99-S103 PolarHBondContact O-N 3.45Å; F99-S103 PolarHBondContact O-OG 3.28Å; F101-S103 VanDerWaalsContact C-N 3.3Å; F101-S103 PolarHBondContact O-N 3.18Å; S103-W105 VanDerWaalsContact C-N 3.28Å; S103-W105 PolarHBondContact O-N 3.06Å; S103-W105 PolarHBondContact O-NE1 3.04Å; S103-I230 WeakPolarHBondContact OG-CD1 3.41Å
104	G	71.9	Confident	79.9	Confident	54 Å²	54	43.1 Å²	43.1	56%	0.557	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.2	16.4	-175.8	0	0	0	0	0	114.3	L100 F101 C102	L100-G104 PolarHBondContact O-N 3.4Å; F101-G104 PolarHBondContact O-N 2.92Å; C102-G104 PolarHBondContact O-N 3.06Å
105	W	82.3	Confident	78	Confident	97 Å²	97	46.2 Å²	46.2	37%	0.367	24%	0.237	S	C	.	.			trans	-87.6	-15	-176.7	-62.4	1.2	0	0	0	113	I11 W71 L74 L76 F99 L100 S103 P107	I11-W105 HydrophobicContact CD1-CH2 3.86Å; I11-W105 HydrophobicContact CD1-CZ3 4.49Å; W71-W105 HydrophobicContact CZ3-CB 4.43Å; L74-W105 HydrophobicContact CD2-CH2 3.72Å; L74-W105 HydrophobicContact CD2-CZ3 3.58Å; L76-W105 HydrophobicContact CD1-CZ3 4.03Å; L76-W105 HydrophobicContact CD2-CZ3 3.86Å; L76-W105 HydrophobicContact CG-CZ3 4.44Å; F99-W105 HydrophobicContact CE1-CE3 4.43Å; F99-W105 HydrophobicContact CE1-CH2 4.31Å; F99-W105 HydrophobicContact CE1-CZ3 4.05Å; L100-W105 HydrophobicContact CD2-CB 4.18Å; L100-W105 HydrophobicContact CD2-CD2 4.49Å; L100-W105 HydrophobicContact CD2-CE3 3.68Å; L100-W105 HydrophobicContact CD2-CZ3 4.48Å; L100-W105 PolarHBondContact O-N 3Å; S103-W105 VanDerWaalsContact C-N 3.28Å; S103-W105 PolarHBondContact O-N 3.06Å; S103-W105 PolarHBondContact O-NE1 3.04Å; W105-P107 WeakPolarHBondContact O-CD 3.37Å
106	L	81.1	Confident	76.1	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	26%	0.256	C	S	.	.	S	Bend	trans	-75.2	125.6	172	-72.1	-176.3	0	0	0	111.7	I38 L42 L100 F101 Q111	I38-L106 HydrophobicContact CG2-CD1 4.09Å; I38-L106 HydrophobicContact CG2-CD2 3.98Å; L42-L106 HydrophobicContact CD1-CD2 4.36Å; L42-L106 HydrophobicContact CD2-CD2 4.14Å; L100-L106 HydrophobicContact CB-CD1 4.39Å; L100-L106 HydrophobicContact CB-CD2 3.76Å; L100-L106 HydrophobicContact CB-CG 3.65Å; L100-L106 HydrophobicContact CD1-CD2 4.09Å; L100-L106 PolarHBondContact O-N 3.28Å; F101-L106 HydrophobicContact CB-CD1 3.84Å; L106-Q111 HydrophobicContact CB-CG 4.2Å; L106-Q111 PolarHBondContact O-NE2 2.93Å
107	P	81.3	Confident	73.8	Confident	29 Å²	29	55.5 Å²	55.5	19%	0.188	28%	0.281	C	S	.	.			trans	-57.1	146.4	170.4	-23.1	32.9	0	0	0	111.6	L42 Y46 W105 K109 L110 Q111	L42-P107 HydrophobicContact CD1-CG 4.27Å; Y46-P107 HydrophobicContact CE2-CG 4.08Å; W105-P107 WeakPolarHBondContact O-CD 3.37Å; P107-K109 HydrophobicContact CB-CG 4.36Å; P107-K109 PolarHBondContact O-N 3.45Å; P107-L110 WeakPolarHBondContact O-CA 3.4Å; P107-L110 PolarHBondContact O-N 2.9Å; P107-Q111 PolarHBondContact O-N 2.79Å
108	K	76.7	Confident	71.7	Confident	181 Å²	181	57.9 Å²	57.9	79%	0.787	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-35.2	-177.2	-68.2	-175.2	178.8	-179.6	0	114.8	L110 Q111	K108-L110 VanDerWaalsContact C-N 3.3Å; K108-L110 PolarHBondContact O-N 3.33Å; K108-Q111 PolarHBondContact O-N 3.08Å
109	K	81.8	Confident	70	Confident	128 Å²	128	58.6 Å²	58.6	56%	0.557	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-18.9	179.3	66.2	-174.4	-178.8	-176.2	0	114.8	L45 P107	L45-K109 HydrophobicContact CD1-CD 4.48Å; L45-K109 VanDerWaalsContact CD2-CE 3.48Å; P107-K109 HydrophobicContact CB-CG 4.36Å; P107-K109 PolarHBondContact O-N 3.45Å
110	L	84.7	Confident	68.5	Low	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-4.6	177.4	-65.4	-170.8	0	0	0	112.7	I38 E41 L42 L45 P107 K108	I38-L110 HydrophobicContact CG2-CB 4.3Å; E41-L110 HydrophobicContact CB-CD1 4.24Å; E41-L110 HydrophobicContact CB-CD2 3.61Å; E41-L110 HydrophobicContact CG-CD2 4.29Å; E41-L110 WeakPolarHBondContact OE2-CD2 3.24Å; L42-L110 HydrophobicContact CB-CD1 3.82Å; L42-L110 HydrophobicContact CD1-CD1 3.83Å; L42-L110 HydrophobicContact CG-CD1 4.47Å; L45-L110 HydrophobicContact CD1-CD1 3.54Å; L45-L110 HydrophobicContact CD1-CG 4.01Å; P107-L110 WeakPolarHBondContact O-CA 3.4Å; P107-L110 PolarHBondContact O-N 2.9Å; K108-L110 VanDerWaalsContact C-N 3.3Å; K108-L110 PolarHBondContact O-N 3.33Å
111	Q	79.2	Confident	67.3	Low	72 Å²	72	61.3 Å²	61.3	34%	0.336	31%	0.314	S	S	.	.	S	Bend	trans	-62.2	138.2	176.5	-72.4	178.6	-2.3	0	0	109.4	F101 L106 P107 K108 Q113	F101-Q111 HydrophobicContact CD2-CB 4.46Å; F101-Q111 HydrophobicContact CD2-CG 4.22Å; F101-Q111 HydrophobicContact CE2-CB 4.35Å; F101-Q111 HydrophobicContact CE2-CG 4.3Å; L106-Q111 HydrophobicContact CB-CG 4.2Å; L106-Q111 PolarHBondContact O-NE2 2.93Å; P107-Q111 PolarHBondContact O-N 2.79Å; K108-Q111 PolarHBondContact O-N 3.08Å; Q111-Q113 PolarHBondContact O-N 3.22Å
112	P	70.3	Confident	66.3	Low	17 Å²	17	62.4 Å²	62.4	11%	0.11	33%	0.326	C	S	.	.			trans	-58.8	124.5	-178.3	-18.7	30.1	0	0	0	110.5	F27 Y28 N31 I38 F101	F27-P112 HydrophobicContact CE1-CB 3.57Å; F27-P112 HydrophobicContact CE1-CG 3.74Å; F27-P112 HydrophobicContact CZ-CB 3.73Å; F27-P112 HydrophobicContact CZ-CG 4.15Å; Y28-P112 HydrophobicContact CE1-CB 4.22Å; Y28-P112 HydrophobicContact CE1-CG 3.75Å; N31-P112 WeakPolarHBondContact ND2-CB 3.23Å; I38-P112 HydrophobicContact CD1-CG 4.46Å; F101-P112 HydrophobicContact CD2-CG 4.34Å; F101-P112 HydrophobicContact CG-CG 4.3Å
113	Q	65	Low	65.9	Low	110 Å²	110	65.8 Å²	65.8	51%	0.514	34%	0.336	S	S	.	.			trans	-103.3	114.2	174.9	-65.3	178.4	-4.8	0	0	107.8	N31 R32 Q111 V115	N31-Q113 WeakPolarHBondContact CA-O 3.31Å; N31-Q113 PolarHBondContact OD1-O 3.35Å; R32-Q113 PolarHBondContact N-O 3.16Å; R32-Q113 VanDerWaalsContact N-O 3.1Å; Q111-Q113 PolarHBondContact O-N 3.22Å; Q113-V115 PolarHBondContact O-N 3.08Å
114	L	56.1	Low	65.7	Low	54 Å²	54	66.5 Å²	66.5	28%	0.283	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-53.8	128.1	173.4	-71.1	163.7	0	0	0	108.1	F27 N31 Q116 E117	F27-L114 HydrophobicContact CD2-CD2 4.19Å; F27-L114 HydrophobicContact CE2-CD2 4.09Å; N31-L114 WeakPolarHBondContact OD1-CA 3.49Å; N31-L114 PolarHBondContact OD1-N 3.31Å; L114-Q116 CarbonylContact C-O 3.54Å; L114-Q116 WeakPolarHBondContact CB-O 3.36Å; L114-Q116 CarbonylContact O-C 3.56Å; L114-Q116 PolarHBondContact O-N 3.42Å; L114-Q116 VanDerWaalsContact O-O 3.1Å; L114-E117 PolarHBondContact O-N 3.21Å
115	V	52.1	Low	66	Low	76 Å²	76	70.8 Å²	70.8	46%	0.461	34%	0.343	S	S	.	.	S	Bend	trans	-59.2	-35.7	176.5	174.6	0	0	0	0	109.8	K30 R32 Q113 E117	K30-V115 WeakPolarHBondContact O-CB 3.23Å; K30-V115 WeakPolarHBondContact O-CG2 3.49Å; K30-V115 PolarHBondContact O-N 3.29Å; R32-V115 HydrophobicContact CB-CG2 4.22Å; R32-V115 HydrophobicContact CG-CB 4.21Å; R32-V115 HydrophobicContact CG-CG2 3.61Å; R32-V115 VanDerWaalsContact N-CG2 3.27Å; Q113-V115 PolarHBondContact O-N 3.08Å; V115-E117 PolarHBondContact O-N 3.13Å
116	Q	49.6	Very low	65.9	Low	85 Å²	85	72.5 Å²	72.5	40%	0.397	35%	0.353	S	S	.	.	S	Bend	trans	-68.9	96.2	158.4	-67.8	177.7	5.2	0	0	105.4	L114 N118	L114-Q116 CarbonylContact C-O 3.54Å; L114-Q116 WeakPolarHBondContact CB-O 3.36Å; L114-Q116 CarbonylContact O-C 3.56Å; L114-Q116 PolarHBondContact O-N 3.42Å; L114-Q116 VanDerWaalsContact O-O 3.1Å; Q116-N118 VanDerWaalsContact C-N 3.3Å; Q116-N118 PolarHBondContact O-N 2.83Å
117	E	43.6	Very low	65.9	Low	109 Å²	109	72.4 Å²	72.4	51%	0.509	35%	0.352	S	S	.	.			trans	-40.1	113.2	152.3	-77.4	166.5	-166.6	0	0	104.5	R32 L114 V115 V119	R32-E117 IonicContact CZ-OE1 3.55Å; R32-E117 IonicContact NH2-OE1 3.89Å; R32-E117 PolarHBondContact NH2-OE1 2.86Å; L114-E117 PolarHBondContact O-N 3.21Å; V115-E117 PolarHBondContact O-N 3.13Å; E117-V119 HydrophobicContact CB-CG2 3.52Å; E117-V119 PolarHBondContact O-N 3.44Å
118	N	45.4	Very low	66	Low	51 Å²	51	71.7 Å²	71.7	27%	0.273	35%	0.347	S	S	.	.			trans	-57.1	73.4	143.3	-80.4	-20.8	0	0	0	103.6	Q116 D120 E178	Q116-N118 VanDerWaalsContact C-N 3.3Å; Q116-N118 PolarHBondContact O-N 2.83Å; N118-D120 PolarHBondContact O-N 3.17Å; N118-E178 PolarHBondContact OD1-O 3.41Å; N118-E178 VanDerWaalsContact OD1-O 3.04Å
119	V	50.2	Low	66.4	Low	44 Å²	44	65.5 Å²	65.5	27%	0.267	33%	0.326	S	S	.	.			trans	-60	95.3	149.5	-169.8	0	0	0	0	98.5	E117 F121 T122	E117-V119 HydrophobicContact CB-CG2 3.52Å; E117-V119 PolarHBondContact O-N 3.44Å; V119-F121 PolarHBondContact O-N 3.44Å; V119-T122 HydrophobicContact CG1-CG2 4.07Å
120	D	54.3	Low	66.6	Low	63 Å²	63	59.4 Å²	59.4	34%	0.337	30%	0.3	S	S	.	.			trans	-35.2	143.3	167	-103.3	-35.3	0	0	0	106.3	N118 T122 R207	N118-D120 PolarHBondContact O-N 3.17Å; D120-T122 PolarHBondContact O-N 3.04Å; D120-R207 IonicContact OD1-NE 3.6Å
121	F	60	Low	66.7	Low	1 Å²	1	60.4 Å²	60.4	0%	0.004	31%	0.305	C	S	.	.			trans	-55.4	94.8	177.2	-61.3	-90.4	0	0	0	108.3	V119 Y180 L203 I204 R207 V208 T211	V119-F121 PolarHBondContact O-N 3.44Å; F121-Y180 HydrophobicContact CD2-CE2 4.49Å; F121-Y180 AromaticContact CE2-CD2 3.9Å; F121-Y180 HydrophobicContact CE2-CD2 3.9Å; F121-Y180 AromaticContact CE2-CE2 3.7Å; F121-Y180 HydrophobicContact CE2-CE2 3.7Å; F121-Y180 HydrophobicContact CZ-CD2 4.3Å; F121-Y180 HydrophobicContact CZ-CE2 4.42Å; F121-L203 HydrophobicContact CE2-CD2 4.09Å; F121-I204 HydrophobicContact CD1-CB 4.24Å; F121-I204 HydrophobicContact CD1-CG1 4.09Å; F121-I204 HydrophobicContact CD1-CG2 3.57Å; F121-I204 HydrophobicContact CE1-CB 4.11Å; F121-I204 HydrophobicContact CE1-CD1 3.76Å; F121-I204 HydrophobicContact CE1-CG1 3.45Å; F121-I204 VanDerWaalsContact CE1-CG1 3.45Å; F121-I204 HydrophobicContact CE1-CG2 3.78Å; F121-I204 HydrophobicContact CE2-CG1 4.03Å; F121-I204 HydrophobicContact CG-CG2 4.11Å; F121-I204 HydrophobicContact CZ-CB 4.38Å; F121-I204 HydrophobicContact CZ-CD1 4.03Å; F121-I204 HydrophobicContact CZ-CG1 3.47Å; F121-I204 VanDerWaalsContact CZ-CG1 3.47Å; F121-R207 HydrophobicContact CB-CB 3.92Å; F121-R207 HydrophobicContact CD2-CB 3.77Å; F121-R207 HydrophobicContact CD2-CG 4.11Å; F121-R207 HydrophobicContact CG-CB 4.25Å; F121-V208 HydrophobicContact CB-CG2 3.49Å; F121-V208 VanDerWaalsContact CB-CG2 3.49Å; F121-V208 HydrophobicContact CG-CG2 4.38Å; F121-T211 PolarHBondContact O-OG1 3.44Å
122	T	59.3	Low	67	Low	78 Å²	78	62.5 Å²	62.5	48%	0.479	32%	0.315	S	S	.	.			trans	-71.4	150.9	178.8	40	0	0	0	0	105.1	V119 D120 D124	V119-T122 HydrophobicContact CG1-CG2 4.07Å; D120-T122 PolarHBondContact O-N 3.04Å; T122-D124 PolarHBondContact O-N 3.02Å
123	Y	63.7	Low	67.9	Low	94 Å²	94	65.2 Å²	65.2	37%	0.369	33%	0.325	S	S	.	.			trans	-58.3	110.6	176.8	-177.3	-85.8	0	0	0	109.6	Q125 I128 V208 R212	Y123-Q125 HydrophobicContact CE1-CB 4.4Å; Y123-I128 HydrophobicContact CD2-CD1 3.68Å; Y123-I128 HydrophobicContact CE1-CD1 4.42Å; Y123-I128 HydrophobicContact CE2-CD1 3.06Å; Y123-I128 VanDerWaalsContact CZ-CD1 3.49Å; Y123-V208 HydrophobicContact CD2-CG1 4.16Å; Y123-R212 HydrophobicContact CD2-CG 4.11Å; Y123-R212 HydrophobicContact CE2-CG 4.25Å
124	D	70.9	Confident	68.7	Low	49 Å²	49	65.7 Å²	65.7	26%	0.262	34%	0.335	S	S	.	.			trans	-127.7	116.7	171.5	-177.2	-9.3	0	0	0	108.4	T122 K126 I127 I128	T122-D124 PolarHBondContact O-N 3.02Å; D124-K126 PolarHBondContact O-N 3.01Å; D124-K126 VanDerWaalsContact OD1-CB 3.26Å; D124-K126 WeakPolarHBondContact OD1-CB 3.25Å; D124-K126 WeakPolarHBondContact OD1-CG 3.19Å; D124-K126 PolarHBondContact OD1-N 3.05Å; D124-I127 HydrophobicContact CB-CB 4.38Å; D124-I127 HydrophobicContact CB-CD1 3.73Å; D124-I127 HydrophobicContact CB-CG1 3.86Å; D124-I127 WeakPolarHBondContact O-CB 3.42Å; D124-I127 PolarHBondContact O-N 3.2Å; D124-I128 PolarHBondContact O-N 3.28Å
125	Q	77.5	Confident	70	Confident	145 Å²	145	71.1 Å²	71.1	68%	0.678	36%	0.364	S	S	*	.	H	α-helix	trans	-59.9	-28.8	-179.6	-166.2	162.5	-4.6	0	0	112	Y123 I128 S129	Y123-Q125 HydrophobicContact CE1-CB 4.4Å; Q125-I128 PolarHBondContact O-N 2.83Å; Q125-S129 PolarHBondContact O-N 3.16Å
126	K	81.8	Confident	71.7	Confident	132 Å²	132	69.9 Å²	69.9	57%	0.574	36%	0.357	S	S	*	.	H	α-helix	trans	-64.8	-39.9	173.7	-62.8	176	-178.1	174.6	0	111.4	D124 S129 V130 K148	D124-K126 PolarHBondContact O-N 3.01Å; D124-K126 VanDerWaalsContact OD1-CB 3.26Å; D124-K126 WeakPolarHBondContact OD1-CB 3.25Å; D124-K126 WeakPolarHBondContact OD1-CG 3.19Å; D124-K126 PolarHBondContact OD1-N 3.05Å; K126-S129 PolarHBondContact O-OG 3.47Å; K126-V130 WeakPolarHBondContact O-CG2 3.43Å; K126-V130 PolarHBondContact O-N 3.16Å; K126-K148 HydrophobicContact CB-CD 4.27Å
127	I	81.6	Confident	73.7	Confident	2 Å²	2	71 Å²	71	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-67.2	-44.9	177.8	-61	173.8	0	0	0	110.2	D124 S129 V130 L131 I145 R149 I204 V208	D124-I127 HydrophobicContact CB-CB 4.38Å; D124-I127 HydrophobicContact CB-CD1 3.73Å; D124-I127 HydrophobicContact CB-CG1 3.86Å; D124-I127 WeakPolarHBondContact O-CB 3.42Å; D124-I127 PolarHBondContact O-N 3.2Å; I127-S129 VanDerWaalsContact C-N 3.31Å; I127-S129 PolarHBondContact O-N 3.14Å; I127-V130 WeakPolarHBondContact O-CB 3.23Å; I127-V130 PolarHBondContact O-N 2.87Å; I127-V130 VanDerWaalsContact O-N 3.08Å; I127-L131 HydrophobicContact CG2-CD1 3.97Å; I127-L131 HydrophobicContact CG2-CG 4.39Å; I127-L131 WeakPolarHBondContact O-CG 3.43Å; I127-L131 PolarHBondContact O-N 3.37Å; I127-I145 HydrophobicContact CG1-CG2 4.47Å; I127-I145 HydrophobicContact CG2-CD1 4.32Å; I127-I145 HydrophobicContact CG2-CG1 4.18Å; I127-I145 HydrophobicContact CG2-CG2 4.05Å; I127-R149 VanDerWaalsContact CD1-CD 3.5Å; I127-R149 HydrophobicContact CD1-CG 3.86Å; I127-R149 HydrophobicContact CG1-CG 4.15Å; I127-I204 HydrophobicContact CG2-CG2 4Å; I127-V208 HydrophobicContact CG2-CG2 4.33Å
128	I	81.8	Confident	75.9	Confident	15 Å²	15	68.1 Å²	68.1	8%	0.077	35%	0.348	C	S	.	.	H	α-helix	trans	-59.9	-44.5	179.6	-64.7	175.2	0	0	0	110.6	Y123 D124 Q125 V130 L131 E132 V208	Y123-I128 HydrophobicContact CD2-CD1 3.68Å; Y123-I128 HydrophobicContact CE1-CD1 4.42Å; Y123-I128 HydrophobicContact CE2-CD1 3.06Å; Y123-I128 VanDerWaalsContact CZ-CD1 3.49Å; D124-I128 PolarHBondContact O-N 3.28Å; Q125-I128 PolarHBondContact O-N 2.83Å; I128-V130 PolarHBondContact O-N 3.38Å; I128-L131 WeakPolarHBondContact O-CB 3.38Å; I128-L131 PolarHBondContact O-N 3.15Å; I128-L131 VanDerWaalsContact O-N 3.08Å; I128-E132 HydrophobicContact CG2-CG 4.14Å; I128-E132 VanDerWaalsContact CG2-OE1 3.3Å; I128-E132 WeakPolarHBondContact CG2-OE1 3.32Å; I128-E132 WeakPolarHBondContact O-CB 3.49Å; I128-E132 WeakPolarHBondContact O-CG 3.47Å; I128-E132 PolarHBondContact O-N 2.95Å; I128-V208 HydrophobicContact CD1-CG1 3.74Å; I128-V208 HydrophobicContact CG1-CG1 3.64Å
129	S	85.5	Confident	78.1	Confident	51 Å²	51	66.7 Å²	66.7	36%	0.357	34%	0.342	S	S	.	.	H	α-helix	trans	-56.6	-34.6	176.9	76.9	0	0	0	0	113	Q125 K126 I127 K133	Q125-S129 PolarHBondContact O-N 3.16Å; K126-S129 PolarHBondContact O-OG 3.47Å; I127-S129 VanDerWaalsContact C-N 3.31Å; I127-S129 PolarHBondContact O-N 3.14Å; S129-K133 WeakPolarHBondContact O-CG 3.28Å; S129-K133 PolarHBondContact O-N 3.46Å
130	V	86.7	Confident	80.1	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-74.7	-42.7	177.5	179.5	0	0	0	0	111	K126 I127 I128 E132 K133 K141 E144 I145 K148	K126-V130 WeakPolarHBondContact O-CG2 3.43Å; K126-V130 PolarHBondContact O-N 3.16Å; I127-V130 WeakPolarHBondContact O-CB 3.23Å; I127-V130 PolarHBondContact O-N 2.87Å; I127-V130 VanDerWaalsContact O-N 3.08Å; I128-V130 PolarHBondContact O-N 3.38Å; V130-E132 VanDerWaalsContact C-N 3.25Å; V130-E132 PolarHBondContact O-N 3.21Å; V130-K133 PolarHBondContact O-N 2.84Å; V130-K141 HydrophobicContact CG1-CB 4.13Å; V130-K141 HydrophobicContact CG1-CG 4.4Å; V130-E144 HydrophobicContact CG1-CB 3.92Å; V130-E144 HydrophobicContact CG1-CG 4.04Å; V130-E144 HydrophobicContact CG2-CG 3.89Å; V130-E144 WeakPolarHBondContact CG2-OE1 3.32Å; V130-I145 HydrophobicContact CB-CG1 4.03Å; V130-I145 HydrophobicContact CG1-CD1 4.37Å; V130-I145 HydrophobicContact CG1-CG1 3.78Å; V130-K148 HydrophobicContact CG2-CD 3.79Å
131	L	85.6	Confident	81.8	Confident	21 Å²	21	66.3 Å²	66.3	11%	0.11	34%	0.339	C	S	.	.	H	α-helix	trans	-60.7	-37.3	177.5	-71.5	169.1	0	0	0	111.7	I127 I128 K141 I145 N201 I204 K205	I127-L131 HydrophobicContact CG2-CD1 3.97Å; I127-L131 HydrophobicContact CG2-CG 4.39Å; I127-L131 WeakPolarHBondContact O-CG 3.43Å; I127-L131 PolarHBondContact O-N 3.37Å; I128-L131 WeakPolarHBondContact O-CB 3.38Å; I128-L131 PolarHBondContact O-N 3.15Å; I128-L131 VanDerWaalsContact O-N 3.08Å; L131-K141 PolarHBondContact O-NZ 3.29Å; L131-I145 HydrophobicContact CD2-CD1 3.6Å; L131-I145 HydrophobicContact CG-CD1 3.91Å; L131-N201 HydrophobicContact CD2-CB 3.8Å; L131-I204 HydrophobicContact CD1-CG2 4.14Å; L131-K205 HydrophobicContact CD1-CB 3.94Å; L131-K205 HydrophobicContact CD1-CG 4.31Å
132	E	87.1	Confident	83.1	Confident	115 Å²	115	66.3 Å²	66.3	54%	0.537	34%	0.339	S	S	.	.	H	α-helix	trans	-79.3	-13.5	-177.5	-71	177.2	171.3	0	0	114.5	I128 V130 V134	I128-E132 HydrophobicContact CG2-CG 4.14Å; I128-E132 VanDerWaalsContact CG2-OE1 3.3Å; I128-E132 WeakPolarHBondContact CG2-OE1 3.32Å; I128-E132 WeakPolarHBondContact O-CB 3.49Å; I128-E132 WeakPolarHBondContact O-CG 3.47Å; I128-E132 PolarHBondContact O-N 2.95Å; V130-E132 VanDerWaalsContact C-N 3.25Å; V130-E132 PolarHBondContact O-N 3.21Å; E132-V134 PolarHBondContact O-N 3.24Å; E132-V134 VanDerWaalsContact O-N 3.11Å
133	K	88.2	Confident	84.5	Confident	75 Å²	75	65.5 Å²	65.5	33%	0.326	33%	0.329	S	S	.	.			trans	-54.8	119.4	177.2	-66.4	-173.1	-177.2	177.7	0	111.4	S129 V130 V136 K141 E144	S129-K133 WeakPolarHBondContact O-CG 3.28Å; S129-K133 PolarHBondContact O-N 3.46Å; V130-K133 PolarHBondContact O-N 2.84Å; K133-V136 HydrophobicContact CB-CB 4.3Å; K133-V136 HydrophobicContact CB-CG2 3.89Å; K133-V136 HydrophobicContact CD-CG2 4.25Å; K133-K141 WeakPolarHBondContact O-CE 3.15Å; K133-K141 PolarHBondContact O-NZ 2.98Å; K133-E144 IonicContact NZ-OE1 3.86Å; K133-E144 PolarHBondContact NZ-OE1 3.5Å; K133-E144 IonicContact NZ-OE2 2.89Å; K133-E144 PolarHBondContact NZ-OE2 3.34Å
134	V	82.2	Confident	85.7	Confident	119 Å²	119	62.9 Å²	62.9	72%	0.721	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	154.4	174.3	-169.9	0	0	0	0	109.2	E132 V136	E132-V134 PolarHBondContact O-N 3.24Å; E132-V134 VanDerWaalsContact O-N 3.11Å; V134-V136 PolarHBondContact O-N 2.85Å; V134-V136 VanDerWaalsContact O-N 3.09Å
135	N	84	Confident	86.5	Confident	169 Å²	169	60.5 Å²	60.5	90%	0.904	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	10.7	178	-57	-30.7	0	0	0	116.7
136	V	87.3	Confident	86.7	Confident	50 Å²	50	53.7 Å²	53.7	30%	0.303	28%	0.276	S	S	.	.			trans	-101.9	133.4	173.5	-176.8	0	0	0	0	110.2	K133 V134 V140 K141	K133-V136 HydrophobicContact CB-CB 4.3Å; K133-V136 HydrophobicContact CB-CG2 3.89Å; K133-V136 HydrophobicContact CD-CG2 4.25Å; V134-V136 PolarHBondContact O-N 2.85Å; V134-V136 VanDerWaalsContact O-N 3.09Å; V136-V140 HydrophobicContact CG1-CB 3.97Å; V136-V140 HydrophobicContact CG1-CG1 3.92Å; V136-K141 HydrophobicContact CB-CG 4.29Å; V136-K141 HydrophobicContact CG1-CG 3.97Å; V136-K141 WeakPolarHBondContact O-CE 3.41Å
137	K	90.6	Very high	86.8	Confident	109 Å²	109	53.1 Å²	53.1	47%	0.474	28%	0.275	S	S	.	.			trans	-57.7	138.8	175.8	-68.1	178.7	-175.1	165	0	111.1	V139 V140 K141 R190	K137-V139 VanDerWaalsContact C-N 3.25Å; K137-V139 PolarHBondContact O-N 3.4Å; K137-V140 HydrophobicContact CB-CB 4.46Å; K137-V140 HydrophobicContact CB-CG2 4.09Å; K137-V140 WeakPolarHBondContact O-CB 3.42Å; K137-V140 PolarHBondContact O-N 3.39Å; K137-K141 PolarHBondContact O-N 3.26Å; K137-R190 VanDerWaalsContact NZ-NH2 3.15Å
138	N	90.8	Very high	86.9	Confident	47 Å²	47	56.5 Å²	56.5	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-60	-36	-179.7	-68.5	-74.5	0	0	0	112.4	K141 L142 E194 A197 A198 N201	N138-K141 PolarHBondContact O-N 3.33Å; N138-L142 PolarHBondContact O-N 2.8Å; N138-E194 VanDerWaalsContact CB-OE1 3.25Å; N138-E194 WeakPolarHBondContact CB-OE1 3.19Å; N138-E194 PolarHBondContact N-OE1 3.33Å; N138-E194 PolarHBondContact ND2-OE1 3.31Å; N138-A197 HydrophobicContact CB-CB 3.94Å; N138-A198 HydrophobicContact CB-CB 4.08Å; N138-N201 WeakPolarHBondContact CA-ND2 3.43Å; N138-N201 WeakPolarHBondContact CB-ND2 3.04Å; N138-N201 PolarHBondContact O-ND2 3.25Å
139	V	90.9	Very high	86.7	Confident	22 Å²	22	57.5 Å²	57.5	13%	0.133	29%	0.293	C	S	.	.	H	α-helix	trans	-58.3	-51.1	173.2	176.8	0	0	0	0	109.6	K137 K141 L142 F143 F156 K193 E194 A197	K137-V139 VanDerWaalsContact C-N 3.25Å; K137-V139 PolarHBondContact O-N 3.4Å; V139-K141 VanDerWaalsContact C-N 3.33Å; V139-K141 PolarHBondContact O-N 2.86Å; V139-L142 WeakPolarHBondContact O-CB 3.47Å; V139-L142 PolarHBondContact O-N 3.48Å; V139-L142 VanDerWaalsContact O-N 3.1Å; V139-F143 HydrophobicContact CG1-CD2 3.77Å; V139-F143 HydrophobicContact CG1-CE2 3.64Å; V139-F143 VanDerWaalsContact O-CD2 3.28Å; V139-F143 WeakPolarHBondContact O-CD2 3.42Å; V139-F143 PolarHBondContact O-N 3.1Å; V139-F156 HydrophobicContact CG1-CE2 4.13Å; V139-F156 HydrophobicContact CG1-CZ 4.09Å; V139-F156 HydrophobicContact CG2-CE1 4.48Å; V139-F156 HydrophobicContact CG2-CZ 4.21Å; V139-K193 HydrophobicContact CG2-CG 4.01Å; V139-E194 WeakPolarHBondContact CG2-OE2 3.46Å; V139-E194 PolarHBondContact N-OE2 2.92Å; V139-A197 HydrophobicContact CB-CB 4.3Å; V139-A197 HydrophobicContact CG2-CB 3.68Å
140	V	91.5	Very high	86.2	Confident	75 Å²	75	63.4 Å²	63.4	46%	0.455	31%	0.314	S	S	.	.	H	α-helix	trans	-60.9	-42.2	-179.3	178.5	0	0	0	0	111.3	V136 K137 L142 F143 E144	V136-V140 HydrophobicContact CG1-CB 3.97Å; V136-V140 HydrophobicContact CG1-CG1 3.92Å; K137-V140 HydrophobicContact CB-CB 4.46Å; K137-V140 HydrophobicContact CB-CG2 4.09Å; K137-V140 WeakPolarHBondContact O-CB 3.42Å; K137-V140 PolarHBondContact O-N 3.39Å; V140-L142 VanDerWaalsContact C-N 3.32Å; V140-L142 PolarHBondContact O-N 2.84Å; V140-F143 PolarHBondContact O-N 2.89Å; V140-E144 PolarHBondContact O-N 2.78Å
141	K	90.6	Very high	85.5	Confident	24 Å²	24	67.5 Å²	67.5	10%	0.104	33%	0.33	C	S	.	.	H	α-helix	trans	-56.7	-45.9	174.1	-68	-176.4	178.3	-172.2	0	112	V130 L131 K133 V136 K137 N138 V139 F143 E144 I145	V130-K141 HydrophobicContact CG1-CB 4.13Å; V130-K141 HydrophobicContact CG1-CG 4.4Å; L131-K141 PolarHBondContact O-NZ 3.29Å; K133-K141 WeakPolarHBondContact O-CE 3.15Å; K133-K141 PolarHBondContact O-NZ 2.98Å; V136-K141 HydrophobicContact CB-CG 4.29Å; V136-K141 HydrophobicContact CG1-CG 3.97Å; V136-K141 WeakPolarHBondContact O-CE 3.41Å; K137-K141 PolarHBondContact O-N 3.26Å; N138-K141 PolarHBondContact O-N 3.33Å; V139-K141 VanDerWaalsContact C-N 3.33Å; V139-K141 PolarHBondContact O-N 2.86Å; K141-F143 VanDerWaalsContact C-N 3.34Å; K141-F143 PolarHBondContact O-N 2.78Å; K141-E144 PolarHBondContact O-N 2.88Å; K141-I145 VanDerWaalsContact O-CG1 3.24Å; K141-I145 WeakPolarHBondContact O-CG1 3.34Å; K141-I145 PolarHBondContact O-N 2.94Å
142	L	87.2	Confident	85	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-64.8	-39.5	-179	-170.4	65.4	0	0	0	111.7	N138 V139 V140 I145 Q146 P154 F156 A197 M200 I204	N138-L142 PolarHBondContact O-N 2.8Å; V139-L142 WeakPolarHBondContact O-CB 3.47Å; V139-L142 PolarHBondContact O-N 3.48Å; V139-L142 VanDerWaalsContact O-N 3.1Å; V140-L142 VanDerWaalsContact C-N 3.32Å; V140-L142 PolarHBondContact O-N 2.84Å; L142-I145 PolarHBondContact O-N 2.88Å; L142-Q146 WeakPolarHBondContact O-CG 3.48Å; L142-Q146 PolarHBondContact O-N 3.04Å; L142-Q146 VanDerWaalsContact O-N 3.16Å; L142-P154 HydrophobicContact CB-CG 4.43Å; L142-P154 HydrophobicContact CD2-CB 3.54Å; L142-P154 HydrophobicContact CD2-CG 4.02Å; L142-P154 HydrophobicContact CG-CB 3.82Å; L142-P154 HydrophobicContact CG-CG 3.92Å; L142-F156 HydrophobicContact CD2-CZ 3.92Å; L142-A197 HydrophobicContact CD2-CB 4.43Å; L142-M200 HydrophobicContact CD1-CB 4.19Å; L142-M200 HydrophobicContact CD1-CG 3.58Å; L142-M200 HydrophobicContact CD2-CB 4.05Å; L142-M200 HydrophobicContact CD2-CG 3.91Å; L142-M200 HydrophobicContact CG-CG 4.43Å; L142-I204 HydrophobicContact CD1-CD1 3.47Å; L142-I204 VanDerWaalsContact CD1-CD1 3.47Å
143	F	89.2	Confident	84.8	Confident	62 Å²	62	69 Å²	69	27%	0.272	35%	0.345	S	S	.	.	H	α-helix	trans	-61.7	-46.7	172.4	-86.4	-89.2	0	0	0	111.9	V139 V140 K141 I145 Q146 Q147 L153 P154 F156	V139-F143 HydrophobicContact CG1-CD2 3.77Å; V139-F143 HydrophobicContact CG1-CE2 3.64Å; V139-F143 VanDerWaalsContact O-CD2 3.28Å; V139-F143 WeakPolarHBondContact O-CD2 3.42Å; V139-F143 PolarHBondContact O-N 3.1Å; V140-F143 PolarHBondContact O-N 2.89Å; K141-F143 VanDerWaalsContact C-N 3.34Å; K141-F143 PolarHBondContact O-N 2.78Å; F143-I145 VanDerWaalsContact C-N 3.35Å; F143-I145 PolarHBondContact O-N 3.13Å; F143-Q146 PolarHBondContact O-N 2.81Å; F143-Q147 WeakPolarHBondContact O-CG 3.22Å; F143-Q147 PolarHBondContact O-N 2.81Å; F143-L153 HydrophobicContact CD1-CB 4.35Å; F143-L153 HydrophobicContact CD1-CD1 4.43Å; F143-L153 HydrophobicContact CD1-CD2 3.93Å; F143-L153 HydrophobicContact CD1-CG 4.46Å; F143-L153 HydrophobicContact CE1-CB 4Å; F143-L153 HydrophobicContact CE1-CD1 4.15Å; F143-L153 HydrophobicContact CE1-CD2 4.35Å; F143-L153 HydrophobicContact CE1-CG 4.39Å; F143-P154 HydrophobicContact CD1-CG 4.12Å; F143-P154 HydrophobicContact CD2-CG 3.79Å; F143-P154 HydrophobicContact CE1-CG 4.12Å; F143-P154 HydrophobicContact CE2-CG 3.81Å; F143-P154 HydrophobicContact CG-CG 3.93Å; F143-P154 HydrophobicContact CZ-CG 3.96Å; F143-F156 HydrophobicContact CE2-CD2 4.47Å; F143-F156 AromaticContact CE2-CE2 3.76Å; F143-F156 HydrophobicContact CE2-CE2 3.76Å; F143-F156 HydrophobicContact CZ-CE2 4.36Å
144	E	89.2	Confident	84.6	Confident	38 Å²	38	65.7 Å²	65.7	18%	0.178	33%	0.332	C	S	.	.	H	α-helix	trans	-64.5	-38.1	179.4	-174.1	-178.6	169.7	0	0	111.9	V130 K133 V140 K141 Q147 K148	V130-E144 HydrophobicContact CG1-CB 3.92Å; V130-E144 HydrophobicContact CG1-CG 4.04Å; V130-E144 HydrophobicContact CG2-CG 3.89Å; V130-E144 WeakPolarHBondContact CG2-OE1 3.32Å; K133-E144 IonicContact NZ-OE1 3.86Å; K133-E144 PolarHBondContact NZ-OE1 3.5Å; K133-E144 IonicContact NZ-OE2 2.89Å; K133-E144 PolarHBondContact NZ-OE2 3.34Å; V140-E144 PolarHBondContact O-N 2.78Å; K141-E144 PolarHBondContact O-N 2.88Å; E144-Q147 PolarHBondContact O-N 3.02Å; E144-K148 HydrophobicContact CG-CD 4.45Å; E144-K148 HydrophobicContact CG-CG 4.45Å; E144-K148 WeakPolarHBondContact O-CB 3.49Å; E144-K148 WeakPolarHBondContact O-CG 3.13Å; E144-K148 PolarHBondContact O-N 2.87Å; E144-K148 WeakPolarHBondContact OE1-CE 3.41Å; E144-K148 IonicContact OE1-NZ 3.21Å; E144-K148 PolarHBondContact OE1-NZ 3.12Å
145	I	86.1	Confident	84.6	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.8	-48.3	174.7	-69.7	165	0	0	0	110.6	I127 V130 L131 K141 L142 F143 Q147 K148 R149 I204	I127-I145 HydrophobicContact CG1-CG2 4.47Å; I127-I145 HydrophobicContact CG2-CD1 4.32Å; I127-I145 HydrophobicContact CG2-CG1 4.18Å; I127-I145 HydrophobicContact CG2-CG2 4.05Å; V130-I145 HydrophobicContact CB-CG1 4.03Å; V130-I145 HydrophobicContact CG1-CD1 4.37Å; V130-I145 HydrophobicContact CG1-CG1 3.78Å; L131-I145 HydrophobicContact CD2-CD1 3.6Å; L131-I145 HydrophobicContact CG-CD1 3.91Å; K141-I145 VanDerWaalsContact O-CG1 3.24Å; K141-I145 WeakPolarHBondContact O-CG1 3.34Å; K141-I145 PolarHBondContact O-N 2.94Å; L142-I145 PolarHBondContact O-N 2.88Å; F143-I145 VanDerWaalsContact C-N 3.35Å; F143-I145 PolarHBondContact O-N 3.13Å; I145-Q147 PolarHBondContact O-N 3.18Å; I145-K148 PolarHBondContact O-N 2.89Å; I145-R149 WeakPolarHBondContact O-CG 3.33Å; I145-R149 PolarHBondContact O-N 3.24Å; I145-R149 VanDerWaalsContact O-N 3.11Å; I145-I204 HydrophobicContact CD1-CD1 4.33Å; I145-I204 HydrophobicContact CG2-CD1 4.38Å
146	Q	83.4	Confident	84.6	Confident	1 Å²	1	59 Å²	59	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-65.8	-39.2	179.8	-69.1	-65.1	73.1	0	0	112.4	L142 F143 R149 H150 R151 P152 C177	L142-Q146 WeakPolarHBondContact O-CG 3.48Å; L142-Q146 PolarHBondContact O-N 3.04Å; L142-Q146 VanDerWaalsContact O-N 3.16Å; F143-Q146 PolarHBondContact O-N 2.81Å; Q146-R149 PolarHBondContact O-N 2.95Å; Q146-H150 PolarHBondContact O-N 2.66Å; Q146-R151 PolarHBondContact O-N 2.7Å; Q146-P152 PolarHBondContact NE2-O 2.78Å; Q146-C177 PolarHBondContact NE2-SG 2.83Å
147	Q	83.8	Confident	84.3	Confident	120 Å²	120	62.7 Å²	62.7	56%	0.561	30%	0.301	S	S	*	.	H	α-helix	trans	-62.6	-47	174.5	-74.8	-179.8	-6.8	0	0	112.2	F143 E144 I145 R149 H150 L153	F143-Q147 WeakPolarHBondContact O-CG 3.22Å; F143-Q147 PolarHBondContact O-N 2.81Å; E144-Q147 PolarHBondContact O-N 3.02Å; I145-Q147 PolarHBondContact O-N 3.18Å; Q147-R149 PolarHBondContact O-N 3.33Å; Q147-H150 PolarHBondContact O-N 2.55Å; Q147-L153 HydrophobicContact CG-CD2 4.05Å
148	K	82.2	Confident	83.8	Confident	74 Å²	74	60.1 Å²	60.1	32%	0.322	29%	0.292	S	S	.	.	H	α-helix	trans	-63.9	-28.1	179.6	-75.7	-168.9	-176.3	-176.8	0	113.4	K126 V130 E144 I145 H150	K126-K148 HydrophobicContact CB-CD 4.27Å; V130-K148 HydrophobicContact CG2-CD 3.79Å; E144-K148 HydrophobicContact CG-CD 4.45Å; E144-K148 HydrophobicContact CG-CG 4.45Å; E144-K148 WeakPolarHBondContact O-CB 3.49Å; E144-K148 WeakPolarHBondContact O-CG 3.13Å; E144-K148 PolarHBondContact O-N 2.87Å; E144-K148 WeakPolarHBondContact OE1-CE 3.41Å; E144-K148 IonicContact OE1-NZ 3.21Å; E144-K148 PolarHBondContact OE1-NZ 3.12Å; I145-K148 PolarHBondContact O-N 2.89Å; K148-H150 VanDerWaalsContact C-N 3.33Å
149	R	78.2	Confident	82.8	Confident	35 Å²	35	61.1 Å²	61.1	13%	0.132	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-2.6	176.2	-66.5	179	70.1	-161.5	-11.6	113.5	I127 I145 Q146 Q147 R151 E178	I127-R149 VanDerWaalsContact CD1-CD 3.5Å; I127-R149 HydrophobicContact CD1-CG 3.86Å; I127-R149 HydrophobicContact CG1-CG 4.15Å; I145-R149 WeakPolarHBondContact O-CG 3.33Å; I145-R149 PolarHBondContact O-N 3.24Å; I145-R149 VanDerWaalsContact O-N 3.11Å; Q146-R149 PolarHBondContact O-N 2.95Å; Q147-R149 PolarHBondContact O-N 3.33Å; R149-R151 VanDerWaalsContact C-N 3.3Å; R149-R151 HydrophobicContact CB-CB 4.32Å; R149-R151 HydrophobicContact CB-CG 3.55Å; R149-R151 WeakPolarHBondContact O-CG 3.37Å; R149-R151 PolarHBondContact O-N 3.3Å; R149-E178 IonicContact CZ-OE1 3.99Å; R149-E178 IonicContact CZ-OE2 3.15Å; R149-E178 VanDerWaalsContact CZ-OE2 3.3Å; R149-E178 IonicContact NE-OE1 2.7Å; R149-E178 VanDerWaalsContact NH1-CD 3.26Å; R149-E178 IonicContact NH1-OE1 3.91Å; R149-E178 PolarHBondContact NH1-OE1 3.43Å; R149-E178 IonicContact NH1-OE2 3.2Å; R149-E178 PolarHBondContact NH1-OE2 2.98Å; R149-E178 IonicContact NH2-OE1 3.52Å; R149-E178 PolarHBondContact NH2-OE1 2.8Å; R149-E178 IonicContact NH2-OE2 2.86Å; R149-E178 PolarHBondContact NH2-OE2 3.43Å
150	H	74.1	Confident	81.7	Confident	176 Å²	176	67.1 Å²	67.1	82%	0.815	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	44.2	-171.8	-53.9	-75.7	0	0	0	112.3	Q146 Q147 K148	Q146-H150 PolarHBondContact O-N 2.66Å; Q147-H150 PolarHBondContact O-N 2.55Å; K148-H150 VanDerWaalsContact C-N 3.33Å
151	R	72.6	Confident	80.2	Confident	85 Å²	85	67.7 Å²	67.7	32%	0.321	33%	0.332	S	S	.	.			trans	-113.8	159.4	-176.4	-62.2	-69.1	-173.9	-176.3	5.2	111.2	Q146 R149 E178	Q146-R151 PolarHBondContact O-N 2.7Å; R149-R151 VanDerWaalsContact C-N 3.3Å; R149-R151 HydrophobicContact CB-CB 4.32Å; R149-R151 HydrophobicContact CB-CG 3.55Å; R149-R151 WeakPolarHBondContact O-CG 3.37Å; R149-R151 PolarHBondContact O-N 3.3Å; R151-E178 VanDerWaalsContact CD-OE1 3.3Å; R151-E178 WeakPolarHBondContact CD-OE1 3.47Å; R151-E178 WeakPolarHBondContact CG-OE1 3.37Å; R151-E178 IonicContact NE-OE1 2.68Å
152	P	75.7	Confident	78.4	Confident	75 Å²	75	71.1 Å²	71.1	49%	0.487	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-55.9	142.5	176.6	-24.8	34.5	0	0	0	112.1	Q146	Q146-P152 PolarHBondContact NE2-O 2.78Å
153	L	82.3	Confident	76.4	Confident	93 Å²	93	80 Å²	80	49%	0.487	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-61	147.2	179.7	-62.1	-178.7	0	0	0	111.2	F143 Q147 L155	F143-L153 HydrophobicContact CD1-CB 4.35Å; F143-L153 HydrophobicContact CD1-CD1 4.43Å; F143-L153 HydrophobicContact CD1-CD2 3.93Å; F143-L153 HydrophobicContact CD1-CG 4.46Å; F143-L153 HydrophobicContact CE1-CB 4Å; F143-L153 HydrophobicContact CE1-CD1 4.15Å; F143-L153 HydrophobicContact CE1-CD2 4.35Å; F143-L153 HydrophobicContact CE1-CG 4.39Å; Q147-L153 HydrophobicContact CG-CD2 4.05Å; L153-L155 PolarHBondContact O-N 3.17Å
154	P	83.7	Confident	74.7	Confident	6 Å²	6	83.2 Å²	83.2	4%	0.039	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-65.6	133.5	179.9	28.5	-34.4	0	0	0	110.6	L142 F143 F156	L142-P154 HydrophobicContact CB-CG 4.43Å; L142-P154 HydrophobicContact CD2-CB 3.54Å; L142-P154 HydrophobicContact CD2-CG 4.02Å; L142-P154 HydrophobicContact CG-CB 3.82Å; L142-P154 HydrophobicContact CG-CG 3.92Å; F143-P154 HydrophobicContact CD1-CG 4.12Å; F143-P154 HydrophobicContact CD2-CG 3.79Å; F143-P154 HydrophobicContact CE1-CG 4.12Å; F143-P154 HydrophobicContact CE2-CG 3.81Å; F143-P154 HydrophobicContact CG-CG 3.93Å; F143-P154 HydrophobicContact CZ-CG 3.96Å; P154-F156 HydrophobicContact CB-CE2 4.01Å; P154-F156 HydrophobicContact CB-CZ 4.46Å; P154-F156 HydrophobicContact CG-CE2 4Å
155	L	83.2	Confident	72.8	Confident	105 Å²	105	85.2 Å²	85.2	55%	0.55	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.6	177.8	-65.3	174	0	0	0	109.7	L153 A175 V176	L153-L155 PolarHBondContact O-N 3.17Å; L155-A175 CarbonylContact O-C 3.55Å; L155-A175 WeakPolarHBondContact O-CA 3.42Å; L155-V176 HydrophobicContact CB-CB 4.38Å; L155-V176 PolarHBondContact N-O 2.9Å; L155-V176 PolarHBondContact O-N 3.32Å
156	F	83.2	Confident	71.1	Confident	42 Å²	42	90.3 Å²	90.3	18%	0.184	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	112.2	175.7	-65.3	-91.9	0	0	0	108.9	V139 L142 F143 P154 V173 N174 A175 K193 A197	V139-F156 HydrophobicContact CG1-CE2 4.13Å; V139-F156 HydrophobicContact CG1-CZ 4.09Å; V139-F156 HydrophobicContact CG2-CE1 4.48Å; V139-F156 HydrophobicContact CG2-CZ 4.21Å; L142-F156 HydrophobicContact CD2-CZ 3.92Å; F143-F156 HydrophobicContact CE2-CD2 4.47Å; F143-F156 AromaticContact CE2-CE2 3.76Å; F143-F156 HydrophobicContact CE2-CE2 3.76Å; F143-F156 HydrophobicContact CZ-CE2 4.36Å; P154-F156 HydrophobicContact CB-CE2 4.01Å; P154-F156 HydrophobicContact CB-CZ 4.46Å; P154-F156 HydrophobicContact CG-CE2 4Å; F156-V173 HydrophobicContact CB-CG1 4.05Å; F156-V173 HydrophobicContact CD1-CG1 4.04Å; F156-N174 WeakPolarHBondContact CA-O 3.42Å; F156-A175 HydrophobicContact CD1-CB 3.66Å; F156-A175 HydrophobicContact CE1-CB 3.57Å; F156-A175 HydrophobicContact CZ-CB 4.45Å; F156-K193 HydrophobicContact CB-CD 4.3Å; F156-K193 HydrophobicContact CB-CG 4.2Å; F156-K193 HydrophobicContact CD1-CD 4.3Å; F156-K193 HydrophobicContact CD1-CG 3.47Å; F156-K193 VanDerWaalsContact CD1-CG 3.47Å; F156-K193 HydrophobicContact CD2-CD 4.48Å; F156-K193 HydrophobicContact CD2-CG 4.44Å; F156-K193 HydrophobicContact CE1-CG 3.8Å; F156-K193 HydrophobicContact CG-CD 4.12Å; F156-K193 HydrophobicContact CG-CG 3.8Å; F156-K193 HydrophobicContact CZ-CG 4.41Å; F156-A197 HydrophobicContact CE1-CB 3.92Å; F156-A197 HydrophobicContact CZ-CB 3.97Å
157	K	81.2	Confident	69.6	Low	127 Å²	127	96 Å²	96	55%	0.552	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	129	178.6	-65.6	-174	177.8	-176.1	0	109.3	V173 N174	K157-V173 CarbonylContact O-C 3.57Å; K157-V173 WeakPolarHBondContact O-CA 3.47Å; K157-N174 PolarHBondContact N-O 2.89Å; K157-N174 PolarHBondContact O-N 2.8Å
158	L	79.7	Confident	68.2	Low	55 Å²	55	94.3 Å²	94.3	29%	0.288	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	128.8	169.6	-175.4	70.7	0	0	0	107.9	E160 Y171 V172 V173 K189	L158-E160 HydrophobicContact CD2-CG 3.98Å; L158-E160 HydrophobicContact CG-CG 4.23Å; L158-E160 PolarHBondContact O-N 3.31Å; L158-Y171 HydrophobicContact CD1-CD1 3.99Å; L158-V172 WeakPolarHBondContact CD1-O 3.47Å; L158-V173 HydrophobicContact CD1-CG2 3.86Å; L158-K189 HydrophobicContact CD1-CG 4.23Å; L158-K189 HydrophobicContact CD2-CD 4.04Å; L158-K189 VanDerWaalsContact CD2-CE 3.49Å
159	V	71.4	Confident	67.4	Low	69 Å²	69	93.3 Å²	93.3	42%	0.418	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	103.5	170.7	-176.8	0	0	0	0	106.1	V172 N174	V159-V172 HydrophobicContact CB-CB 4.09Å; V159-V172 HydrophobicContact CB-CG1 4.09Å; V159-V172 HydrophobicContact CG2-CG1 4.22Å; V159-V172 PolarHBondContact N-O 2.85Å; V159-N174 HydrophobicContact CG2-CB 4.11Å
160	E	67.1	Low	67.1	Low	148 Å²	148	96.1 Å²	96.1	69%	0.692	55%	0.548	S	S	*	.			trans	-80.7	126.7	173	-65.5	-174.7	165.6	0	0	108.1	L158 A162	L158-E160 HydrophobicContact CD2-CG 3.98Å; L158-E160 HydrophobicContact CG-CG 4.23Å; L158-E160 PolarHBondContact O-N 3.31Å; E160-A162 PolarHBondContact O-N 2.96Å
161	P	59.2	Low	67.1	Low	87 Å²	87	92 Å²	92	57%	0.565	53%	0.526	S	S	*	.			trans	-66.5	136.1	176	28.9	-33.2	0	0	0	108.9	Y163	P161-Y163 WeakPolarHBondContact CB-O 3.45Å; P161-Y163 PolarHBondContact O-N 3.08Å; P161-Y163 VanDerWaalsContact O-N 3.14Å
162	A	52.9	Low	67.3	Low	95 Å²	95	89.7 Å²	89.7	79%	0.785	52%	0.521	S	S	*	.	S	Bend	trans	-60.9	-22.2	177.9	0	0	0	0	0	112.9	E160	E160-A162 PolarHBondContact O-N 2.96Å
163	Y	46.5	Very low	67.4	Low	187 Å²	187	86.4 Å²	86.4	73%	0.733	50%	0.5	S	S	*	.	S	Bend	trans	-129.3	143.8	178.1	-61.9	-81	0	0	0	110.3	P161 T165	P161-Y163 WeakPolarHBondContact CB-O 3.45Å; P161-Y163 PolarHBondContact O-N 3.08Å; P161-Y163 VanDerWaalsContact O-N 3.14Å; Y163-T165 PolarHBondContact O-N 3.46Å; Y163-T165 PolarHBondContact O-OG1 3.46Å
164	P	52.9	Low	67.2	Low	130 Å²	130	83.6 Å²	83.6	84%	0.844	49%	0.485	S	S	*	.			trans	-59.7	100.8	170.3	24.8	-31.3	0	0	0	108.6
165	T	49.2	Very low	66.9	Low	79 Å²	79	83.3 Å²	83.3	49%	0.485	48%	0.483	S	S	.	.			trans	-82.4	144.8	-179.6	-20.5	0	0	0	0	108.5	Y163 N167 A168	Y163-T165 PolarHBondContact O-N 3.46Å; Y163-T165 PolarHBondContact O-OG1 3.46Å; T165-N167 CarbonylContact O-C 3.58Å; T165-N167 PolarHBondContact O-N 3.43Å; T165-A168 WeakPolarHBondContact O-CA 3.31Å; T165-A168 WeakPolarHBondContact O-CB 3.45Å; T165-A168 PolarHBondContact O-N 3.5Å
166	A	51.3	Low	66.4	Low	108 Å²	108	80.3 Å²	80.3	89%	0.893	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-22.8	178.7	0	0	0	0	0	113.6	A168	A166-A168 PolarHBondContact O-N 3.18Å
167	N	50.9	Low	65.9	Low	121 Å²	121	78.5 Å²	78.5	65%	0.647	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	35.2	171.6	-66.1	-21	0	0	0	113.2	T165 G169 L170	T165-N167 CarbonylContact O-C 3.58Å; T165-N167 PolarHBondContact O-N 3.43Å; N167-G169 PolarHBondContact O-N 2.67Å; N167-L170 PolarHBondContact O-N 2.8Å
168	A	55.2	Low	65.1	Low	83 Å²	83	73.4 Å²	73.4	69%	0.686	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-10.5	-178.5	0	0	0	0	0	114.5	T165 A166 L170	T165-A168 WeakPolarHBondContact O-CA 3.31Å; T165-A168 WeakPolarHBondContact O-CB 3.45Å; T165-A168 PolarHBondContact O-N 3.5Å; A166-A168 PolarHBondContact O-N 3.18Å; A168-L170 VanDerWaalsContact C-N 3.35Å
169	G	65.5	Low	64.3	Low	53 Å²	53	73.3 Å²	73.3	55%	0.546	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-2.9	172.9	0	0	0	0	0	116.1	N167 R187	N167-G169 PolarHBondContact O-N 2.67Å; G169-R187 WeakPolarHBondContact O-CA 3.37Å
170	L	71.2	Confident	64.3	Low	94 Å²	94	71.4 Å²	71.4	49%	0.492	44%	0.438	S	S	.	.			trans	-110.4	121.3	-179.6	-86.5	150	0	0	0	111.8	N167 A168 F185	N167-L170 PolarHBondContact O-N 2.8Å; A168-L170 VanDerWaalsContact C-N 3.35Å; L170-F185 HydrophobicContact CD2-CB 4.34Å
171	Y	74	Confident	64.4	Low	90 Å²	90	67 Å²	67	35%	0.353	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	137.2	170.7	-67.1	-89.8	0	0	0	109.9	L158 F185 G186 R187 T188 K189 A192	L158-Y171 HydrophobicContact CD1-CD1 3.99Å; Y171-F185 WeakPolarHBondContact O-CA 3.43Å; Y171-G186 PolarHBondContact N-O 2.94Å; Y171-G186 PolarHBondContact O-N 2.86Å; Y171-R187 WeakPolarHBondContact CD2-O 3.31Å; Y171-T188 VanDerWaalsContact CD2-CA 3.49Å; Y171-K189 HydrophobicContact CD1-CB 4.43Å; Y171-K189 HydrophobicContact CD1-CD 4.19Å; Y171-K189 HydrophobicContact CD1-CG 3.29Å; Y171-K189 HydrophobicContact CE1-CD 4.07Å; Y171-K189 HydrophobicContact CE1-CG 3.49Å; Y171-K189 VanDerWaalsContact CE1-CG 3.49Å; Y171-K189 HydrophobicContact CG-CG 3.85Å; Y171-A192 VanDerWaalsContact O-CB 3.27Å; Y171-A192 WeakPolarHBondContact O-CB 3.36Å
172	V	77.8	Confident	65.2	Low	36 Å²	36	63.5 Å²	63.5	22%	0.218	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.1	176.4	-173.6	0	0	0	0	108.4	L158 V159 V183 G184 F185	L158-V172 WeakPolarHBondContact CD1-O 3.47Å; V159-V172 HydrophobicContact CB-CB 4.09Å; V159-V172 HydrophobicContact CB-CG1 4.09Å; V159-V172 HydrophobicContact CG2-CG1 4.22Å; V159-V172 PolarHBondContact N-O 2.85Å; V172-V183 HydrophobicContact CG1-CG1 3.4Å; V172-G184 WeakPolarHBondContact CA-O 3.27Å; V172-F185 HydrophobicContact CB-CD1 4.46Å; V172-F185 HydrophobicContact CB-CE1 4.43Å; V172-F185 HydrophobicContact CG1-CD1 4.29Å; V172-F185 HydrophobicContact CG1-CE1 3.93Å; V172-F185 HydrophobicContact CG1-CZ 4.48Å; V172-F185 HydrophobicContact CG2-CD1 3.68Å; V172-F185 HydrophobicContact CG2-CE1 3.7Å
173	V	77.7	Confident	66.3	Low	7 Å²	7	61.3 Å²	61.3	4%	0.042	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.6	177.9	173.5	0	0	0	0	109	F156 K157 L158 G184 A192 K193 A196	F156-V173 HydrophobicContact CB-CG1 4.05Å; F156-V173 HydrophobicContact CD1-CG1 4.04Å; K157-V173 CarbonylContact O-C 3.57Å; K157-V173 WeakPolarHBondContact O-CA 3.47Å; L158-V173 HydrophobicContact CD1-CG2 3.86Å; V173-G184 PolarHBondContact N-O 3.03Å; V173-G184 PolarHBondContact O-N 3.18Å; V173-A192 HydrophobicContact CB-CB 4.08Å; V173-A192 HydrophobicContact CG2-CB 3.66Å; V173-K193 HydrophobicContact CG1-CB 4.3Å; V173-K193 HydrophobicContact CG1-CG 4.44Å; V173-A196 HydrophobicContact CG1-CB 4.38Å
174	N	77.8	Confident	67.6	Low	33 Å²	33	52.4 Å²	52.4	18%	0.176	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.9	172.7	-150.6	-6.7	0	0	0	109.2	F156 K157 V159 T182	F156-N174 WeakPolarHBondContact CA-O 3.42Å; K157-N174 PolarHBondContact N-O 2.89Å; K157-N174 PolarHBondContact O-N 2.8Å; V159-N174 HydrophobicContact CG2-CB 4.11Å; N174-T182 WeakPolarHBondContact CA-O 3.36Å; N174-T182 PolarHBondContact OD1-O 3.26Å; N174-T182 VanDerWaalsContact OD1-O 3.13Å
175	A	76.9	Confident	68.9	Low	0 Å²	0	51.3 Å²	51.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.4	173.1	0	0	0	0	0	109.2	L155 F156 T181 T182 A196 M200	L155-A175 CarbonylContact O-C 3.55Å; L155-A175 WeakPolarHBondContact O-CA 3.42Å; F156-A175 HydrophobicContact CD1-CB 3.66Å; F156-A175 HydrophobicContact CE1-CB 3.57Å; F156-A175 HydrophobicContact CZ-CB 4.45Å; A175-T181 CarbonylContact O-C 3.51Å; A175-T181 WeakPolarHBondContact O-CA 3.42Å; A175-T182 PolarHBondContact N-O 3.1Å; A175-T182 PolarHBondContact O-N 2.86Å; A175-A196 HydrophobicContact CB-CB 3.71Å; A175-M200 HydrophobicContact CB-CE 4.49Å; A175-M200 WeakPolarHBondContact O-CE 3.38Å
176	V	73.2	Confident	70.4	Confident	43 Å²	43	48 Å²	48	26%	0.261	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.9	-178.6	-172.6	0	0	0	0	109.4	L155 Y180 T181	L155-V176 HydrophobicContact CB-CB 4.38Å; L155-V176 PolarHBondContact N-O 2.9Å; L155-V176 PolarHBondContact O-N 3.32Å; V176-Y180 CarbonylContact C-O 3.55Å; V176-Y180 VanDerWaalsContact CA-O 3.28Å; V176-Y180 WeakPolarHBondContact CA-O 3.46Å; V176-T181 HydrophobicContact CB-CG2 4.49Å; V176-T181 HydrophobicContact CG1-CG2 4.16Å; V176-T181 HydrophobicContact CG2-CG2 3.97Å
177	C	72.1	Confident	71.8	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.02	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	115.2	-176.1	-166.7	0	0	0	0	109	Q146 G179 Y180 M200	Q146-C177 PolarHBondContact NE2-SG 2.83Å; C177-G179 VanDerWaalsContact C-N 3.31Å; C177-G179 PolarHBondContact O-N 3.34Å; C177-Y180 PolarHBondContact N-O 3.29Å; C177-Y180 WeakPolarHBondContact O-CA 3.47Å; C177-Y180 WeakPolarHBondContact O-CB 3.27Å; C177-Y180 PolarHBondContact O-N 3.04Å; C177-M200 HydrophobicContact CB-CE 3.77Å; C177-M200 HydrophobicContact CB-CG 4.04Å; C177-M200 HydrophobicContact CB-SD 3.93Å
178	E	65.2	Low	73.3	Confident	20 Å²	20	50.7 Å²	50.7	9%	0.093	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	47.9	177.9	-56.1	-178.3	137.8	0	0	113.6	N118 R149 R151 Y180	N118-E178 PolarHBondContact OD1-O 3.41Å; N118-E178 VanDerWaalsContact OD1-O 3.04Å; R149-E178 IonicContact CZ-OE1 3.99Å; R149-E178 IonicContact CZ-OE2 3.15Å; R149-E178 VanDerWaalsContact CZ-OE2 3.3Å; R149-E178 IonicContact NE-OE1 2.7Å; R149-E178 VanDerWaalsContact NH1-CD 3.26Å; R149-E178 IonicContact NH1-OE1 3.91Å; R149-E178 PolarHBondContact NH1-OE1 3.43Å; R149-E178 IonicContact NH1-OE2 3.2Å; R149-E178 PolarHBondContact NH1-OE2 2.98Å; R149-E178 IonicContact NH2-OE1 3.52Å; R149-E178 PolarHBondContact NH2-OE1 2.8Å; R149-E178 IonicContact NH2-OE2 2.86Å; R149-E178 PolarHBondContact NH2-OE2 3.43Å; R151-E178 VanDerWaalsContact CD-OE1 3.3Å; R151-E178 WeakPolarHBondContact CD-OE1 3.47Å; R151-E178 WeakPolarHBondContact CG-OE1 3.37Å; R151-E178 IonicContact NE-OE1 2.68Å; E178-Y180 WeakPolarHBondContact O-CD2 3.28Å; E178-Y180 PolarHBondContact O-N 2.95Å; E178-Y180 VanDerWaalsContact O-N 3.12Å
179	G	63.2	Low	74.7	Confident	53 Å²	53	52 Å²	52	55%	0.546	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	-13.7	-178.2	0	0	0	0	0	115.4	C177	C177-G179 VanDerWaalsContact C-N 3.31Å; C177-G179 PolarHBondContact O-N 3.34Å
180	Y	70.2	Confident	75.7	Confident	30 Å²	30	58.1 Å²	58.1	12%	0.118	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	140.5	170.7	-63.3	-81.5	0	0	0	111	F121 V176 C177 E178 M200 L203	F121-Y180 HydrophobicContact CD2-CE2 4.49Å; F121-Y180 AromaticContact CE2-CD2 3.9Å; F121-Y180 HydrophobicContact CE2-CD2 3.9Å; F121-Y180 AromaticContact CE2-CE2 3.7Å; F121-Y180 HydrophobicContact CE2-CE2 3.7Å; F121-Y180 HydrophobicContact CZ-CD2 4.3Å; F121-Y180 HydrophobicContact CZ-CE2 4.42Å; V176-Y180 CarbonylContact C-O 3.55Å; V176-Y180 VanDerWaalsContact CA-O 3.28Å; V176-Y180 WeakPolarHBondContact CA-O 3.46Å; C177-Y180 PolarHBondContact N-O 3.29Å; C177-Y180 WeakPolarHBondContact O-CA 3.47Å; C177-Y180 WeakPolarHBondContact O-CB 3.27Å; C177-Y180 PolarHBondContact O-N 3.04Å; E178-Y180 WeakPolarHBondContact O-CD2 3.28Å; E178-Y180 PolarHBondContact O-N 2.95Å; E178-Y180 VanDerWaalsContact O-N 3.12Å; Y180-M200 WeakPolarHBondContact O-CE 3.49Å; Y180-L203 HydrophobicContact CD1-CD1 4.12Å; Y180-L203 HydrophobicContact CD1-CD2 3.86Å; Y180-L203 HydrophobicContact CE1-CD2 4.16Å; Y180-L203 HydrophobicContact CG-CD2 4.07Å
181	T	70	Confident	76.4	Confident	54 Å²	54	56.8 Å²	56.8	33%	0.331	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.6	174.9	62.3	0	0	0	0	109.6	A175 V176 F226	A175-T181 CarbonylContact O-C 3.51Å; A175-T181 WeakPolarHBondContact O-CA 3.42Å; V176-T181 HydrophobicContact CB-CG2 4.49Å; V176-T181 HydrophobicContact CG1-CG2 4.16Å; V176-T181 HydrophobicContact CG2-CG2 3.97Å; T181-F226 WeakPolarHBondContact OG1-CE2 3.44Å
182	T	76.4	Confident	76.7	Confident	14 Å²	14	52.5 Å²	52.5	9%	0.086	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	137.9	174.4	57.5	0	0	0	0	110.2	N174 A175 A196 K199 M200 L203	N174-T182 WeakPolarHBondContact CA-O 3.36Å; N174-T182 PolarHBondContact OD1-O 3.26Å; N174-T182 VanDerWaalsContact OD1-O 3.13Å; A175-T182 PolarHBondContact N-O 3.1Å; A175-T182 PolarHBondContact O-N 2.86Å; T182-A196 PolarHBondContact OG1-O 3.06Å; T182-A196 VanDerWaalsContact OG1-O 3.1Å; T182-K199 HydrophobicContact CG2-CB 4.27Å; T182-M200 HydrophobicContact CG2-CB 4.34Å; T182-M200 HydrophobicContact CG2-CE 3.81Å; T182-M200 HydrophobicContact CG2-SD 4Å; T182-M200 WeakPolarHBondContact OG1-CE 3.3Å; T182-L203 HydrophobicContact CG2-CD1 4.24Å
183	V	75.7	Confident	77.2	Confident	50 Å²	50	54.5 Å²	54.5	30%	0.303	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	125	-175.9	-177.3	0	0	0	0	110.7	V172 F185 K199	V172-V183 HydrophobicContact CG1-CG1 3.4Å; V183-F185 HydrophobicContact CG1-CE1 4.29Å; V183-F185 HydrophobicContact CG1-CE2 3.87Å; V183-F185 HydrophobicContact CG1-CZ 3.71Å; V183-K199 VanDerWaalsContact O-CD 3.22Å; V183-K199 WeakPolarHBondContact O-CD 3.15Å; V183-K199 WeakPolarHBondContact O-CE 3.46Å; V183-K199 PolarHBondContact O-NZ 3.4Å
184	G	73.8	Confident	77.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139.6	173.7	0	0	0	0	0	112	V172 V173	V172-G184 WeakPolarHBondContact CA-O 3.27Å; V173-G184 PolarHBondContact N-O 3.03Å; V173-G184 PolarHBondContact O-N 3.18Å
185	F	80.7	Confident	78.1	Confident	107 Å²	107	59.3 Å²	59.3	47%	0.469	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	144.8	177	-57.7	-90.4	0	0	0	109.3	L170 Y171 V172 V183	L170-F185 HydrophobicContact CD2-CB 4.34Å; Y171-F185 WeakPolarHBondContact O-CA 3.43Å; V172-F185 HydrophobicContact CB-CD1 4.46Å; V172-F185 HydrophobicContact CB-CE1 4.43Å; V172-F185 HydrophobicContact CG1-CD1 4.29Å; V172-F185 HydrophobicContact CG1-CE1 3.93Å; V172-F185 HydrophobicContact CG1-CZ 4.48Å; V172-F185 HydrophobicContact CG2-CD1 3.68Å; V172-F185 HydrophobicContact CG2-CE1 3.7Å; V183-F185 HydrophobicContact CG1-CE1 4.29Å; V183-F185 HydrophobicContact CG1-CE2 3.87Å; V183-F185 HydrophobicContact CG1-CZ 3.71Å
186	G	79.9	Confident	78.4	Confident	10 Å²	10	59.3 Å²	59.3	10%	0.103	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	158.9	175.6	0	0	0	0	0	113.1	Y171 T188 T191	Y171-G186 PolarHBondContact N-O 2.94Å; Y171-G186 PolarHBondContact O-N 2.86Å; G186-T188 PolarHBondContact O-N 3.02Å; G186-T191 WeakPolarHBondContact CA-OG1 3.31Å
187	R	80.4	Confident	79.2	Confident	219 Å²	219	57.3 Å²	57.3	83%	0.826	28%	0.281	S	S	*	.	S	Bend	trans	-66.5	-14	176.8	-63.6	-176.4	-178.3	-177.1	-0.1	113.2	G169 Y171 T191	G169-R187 WeakPolarHBondContact O-CA 3.37Å; Y171-R187 WeakPolarHBondContact CD2-O 3.31Å; R187-T191 PolarHBondContact N-OG1 3.19Å
188	T	82.9	Confident	80	Confident	66 Å²	66	58.5 Å²	58.5	41%	0.405	29%	0.291	S	S	.	.	S	Bend	trans	-139.1	153.5	179.1	62	0	0	0	0	109.7	Y171 G186 R190 T191 A192	Y171-T188 VanDerWaalsContact CD2-CA 3.49Å; G186-T188 PolarHBondContact O-N 3.02Å; T188-R190 PolarHBondContact O-N 3.21Å; T188-R190 VanDerWaalsContact O-N 3.12Å; T188-T191 PolarHBondContact N-OG1 3.2Å; T188-T191 PolarHBondContact O-N 2.89Å; T188-T191 VanDerWaalsContact O-N 3.07Å; T188-T191 PolarHBondContact O-OG1 2.86Å; T188-T191 WeakPolarHBondContact OG1-CG2 3.25Å; T188-T191 PolarHBondContact OG1-N 2.89Å; T188-T191 PolarHBondContact OG1-OG1 3.44Å; T188-A192 PolarHBondContact O-N 3.28Å
189	K	83.1	Confident	80.9	Confident	111 Å²	111	61.8 Å²	61.8	48%	0.483	31%	0.305	S	S	.	.	H	α-helix	trans	-51.2	-38.5	174.1	-63.3	-173.7	-176.8	-171.7	0	112.1	L158 Y171 K193	L158-K189 HydrophobicContact CD1-CG 4.23Å; L158-K189 HydrophobicContact CD2-CD 4.04Å; L158-K189 VanDerWaalsContact CD2-CE 3.49Å; Y171-K189 HydrophobicContact CD1-CB 4.43Å; Y171-K189 HydrophobicContact CD1-CD 4.19Å; Y171-K189 HydrophobicContact CD1-CG 3.29Å; Y171-K189 HydrophobicContact CE1-CD 4.07Å; Y171-K189 HydrophobicContact CE1-CG 3.49Å; Y171-K189 VanDerWaalsContact CE1-CG 3.49Å; Y171-K189 HydrophobicContact CG-CG 3.85Å; K189-K193 VanDerWaalsContact O-CB 3.27Å; K189-K193 WeakPolarHBondContact O-CB 3.48Å; K189-K193 PolarHBondContact O-N 2.98Å
190	R	87.1	Confident	82	Confident	180 Å²	180	59.2 Å²	59.2	68%	0.679	28%	0.279	S	S	*	.	H	α-helix	trans	-65.8	-44.7	179	-177.1	175	170	-179.2	-7.5	112.7	K137 T188 E194	K137-R190 VanDerWaalsContact NZ-NH2 3.15Å; T188-R190 PolarHBondContact O-N 3.21Å; T188-R190 VanDerWaalsContact O-N 3.12Å; R190-E194 WeakPolarHBondContact O-CB 3.41Å; R190-E194 PolarHBondContact O-N 3.45Å
191	T	86.1	Confident	82.9	Confident	66 Å²	66	58.2 Å²	58.2	41%	0.405	28%	0.275	S	S	.	.	H	α-helix	trans	-70.7	-38.9	179.1	51.3	0	0	0	0	111.8	G186 R187 T188 E194 M195	G186-T191 WeakPolarHBondContact CA-OG1 3.31Å; R187-T191 PolarHBondContact N-OG1 3.19Å; T188-T191 PolarHBondContact N-OG1 3.2Å; T188-T191 PolarHBondContact O-N 2.89Å; T188-T191 VanDerWaalsContact O-N 3.07Å; T188-T191 PolarHBondContact O-OG1 2.86Å; T188-T191 WeakPolarHBondContact OG1-CG2 3.25Å; T188-T191 PolarHBondContact OG1-N 2.89Å; T188-T191 PolarHBondContact OG1-OG1 3.44Å; T191-E194 PolarHBondContact O-N 2.63Å; T191-M195 WeakPolarHBondContact O-CB 3.39Å; T191-M195 PolarHBondContact O-N 3.02Å
192	A	80.8	Confident	83.6	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-44.5	173.8	0	0	0	0	0	111.9	Y171 V173 T188 M195 A196	Y171-A192 VanDerWaalsContact O-CB 3.27Å; Y171-A192 WeakPolarHBondContact O-CB 3.36Å; V173-A192 HydrophobicContact CB-CB 4.08Å; V173-A192 HydrophobicContact CG2-CB 3.66Å; T188-A192 PolarHBondContact O-N 3.28Å; A192-M195 PolarHBondContact O-N 2.93Å; A192-A196 WeakPolarHBondContact O-CB 3.48Å; A192-A196 PolarHBondContact O-N 3.33Å
193	K	88.2	Confident	83.8	Confident	79 Å²	79	63.9 Å²	63.9	34%	0.343	30%	0.296	S	S	.	.	H	α-helix	trans	-61.7	-44	176	-169.4	177.8	-178.5	171.3	0	112.3	V139 F156 V173 K189 A196 A197	V139-K193 HydrophobicContact CG2-CG 4.01Å; F156-K193 HydrophobicContact CB-CD 4.3Å; F156-K193 HydrophobicContact CB-CG 4.2Å; F156-K193 HydrophobicContact CD1-CD 4.3Å; F156-K193 HydrophobicContact CD1-CG 3.47Å; F156-K193 VanDerWaalsContact CD1-CG 3.47Å; F156-K193 HydrophobicContact CD2-CD 4.48Å; F156-K193 HydrophobicContact CD2-CG 4.44Å; F156-K193 HydrophobicContact CE1-CG 3.8Å; F156-K193 HydrophobicContact CG-CD 4.12Å; F156-K193 HydrophobicContact CG-CG 3.8Å; F156-K193 HydrophobicContact CZ-CG 4.41Å; V173-K193 HydrophobicContact CG1-CB 4.3Å; V173-K193 HydrophobicContact CG1-CG 4.44Å; K189-K193 VanDerWaalsContact O-CB 3.27Å; K189-K193 WeakPolarHBondContact O-CB 3.48Å; K189-K193 PolarHBondContact O-N 2.98Å; K193-A196 PolarHBondContact O-N 3.2Å; K193-A197 WeakPolarHBondContact O-CB 3.27Å; K193-A197 PolarHBondContact O-N 2.9Å
194	E	90	Very high	84.2	Confident	48 Å²	48	61.5 Å²	61.5	22%	0.224	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-41.1	177	-173.5	64.2	-162.4	0	0	111.8	N138 V139 R190 T191 A197 A198	N138-E194 VanDerWaalsContact CB-OE1 3.25Å; N138-E194 WeakPolarHBondContact CB-OE1 3.19Å; N138-E194 PolarHBondContact N-OE1 3.33Å; N138-E194 PolarHBondContact ND2-OE1 3.31Å; V139-E194 WeakPolarHBondContact CG2-OE2 3.46Å; V139-E194 PolarHBondContact N-OE2 2.92Å; R190-E194 WeakPolarHBondContact O-CB 3.41Å; R190-E194 PolarHBondContact O-N 3.45Å; T191-E194 PolarHBondContact O-N 2.63Å; E194-A197 PolarHBondContact O-N 2.89Å; E194-A198 WeakPolarHBondContact O-CB 3.25Å; E194-A198 PolarHBondContact O-N 3.22Å
195	M	83.8	Confident	84.7	Confident	93 Å²	93	65.6 Å²	65.6	46%	0.458	30%	0.3	S	S	.	.	H	α-helix	trans	-66.5	-40.9	176.5	-172.7	61.4	68.9	0	0	112.3	T191 A192 A198 K199	T191-M195 WeakPolarHBondContact O-CB 3.39Å; T191-M195 PolarHBondContact O-N 3.02Å; A192-M195 PolarHBondContact O-N 2.93Å; M195-A198 PolarHBondContact O-N 3.09Å; M195-K199 PolarHBondContact O-N 2.89Å
196	A	84.2	Confident	84.5	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.2	-47.4	175.3	0	0	0	0	0	110.3	V173 A175 T182 A192 K193 A198 K199 M200	V173-A196 HydrophobicContact CG1-CB 4.38Å; A175-A196 HydrophobicContact CB-CB 3.71Å; T182-A196 PolarHBondContact OG1-O 3.06Å; T182-A196 VanDerWaalsContact OG1-O 3.1Å; A192-A196 WeakPolarHBondContact O-CB 3.48Å; A192-A196 PolarHBondContact O-N 3.33Å; K193-A196 PolarHBondContact O-N 3.2Å; A196-A198 VanDerWaalsContact C-N 3.33Å; A196-A198 PolarHBondContact O-N 3.33Å; A196-K199 PolarHBondContact O-N 3.12Å; A196-M200 PolarHBondContact O-N 2.98Å
197	A	90.5	Very high	84.2	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.4	-39.6	175.8	0	0	0	0	0	112.7	N138 V139 L142 F156 K193 E194 M200 N201	N138-A197 HydrophobicContact CB-CB 3.94Å; V139-A197 HydrophobicContact CB-CB 4.3Å; V139-A197 HydrophobicContact CG2-CB 3.68Å; L142-A197 HydrophobicContact CD2-CB 4.43Å; F156-A197 HydrophobicContact CE1-CB 3.92Å; F156-A197 HydrophobicContact CZ-CB 3.97Å; K193-A197 WeakPolarHBondContact O-CB 3.27Å; K193-A197 PolarHBondContact O-N 2.9Å; E194-A197 PolarHBondContact O-N 2.89Å; A197-M200 PolarHBondContact O-N 2.99Å; A197-N201 WeakPolarHBondContact O-CB 3.46Å; A197-N201 VanDerWaalsContact O-CG 3.27Å; A197-N201 PolarHBondContact O-N 2.9Å; A197-N201 PolarHBondContact O-ND2 3.07Å
198	A	88.1	Confident	83.9	Confident	29 Å²	29	56.9 Å²	56.9	24%	0.24	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-43	176.9	0	0	0	0	0	111.9	N138 E194 M195 A196 N201 K202	N138-A198 HydrophobicContact CB-CB 4.08Å; E194-A198 WeakPolarHBondContact O-CB 3.25Å; E194-A198 PolarHBondContact O-N 3.22Å; M195-A198 PolarHBondContact O-N 3.09Å; A196-A198 VanDerWaalsContact C-N 3.33Å; A196-A198 PolarHBondContact O-N 3.33Å; A198-N201 PolarHBondContact O-N 2.92Å; A198-K202 WeakPolarHBondContact O-CB 3.49Å; A198-K202 PolarHBondContact O-N 3.04Å
199	K	84.8	Confident	83.2	Confident	88 Å²	88	57 Å²	57	38%	0.383	27%	0.265	S	S	.	.	H	α-helix	trans	-63.9	-42.2	174.2	-73.6	-178.7	-177.6	-178.8	0	111.8	T182 V183 M195 A196 K202 L203	T182-K199 HydrophobicContact CG2-CB 4.27Å; V183-K199 VanDerWaalsContact O-CD 3.22Å; V183-K199 WeakPolarHBondContact O-CD 3.15Å; V183-K199 WeakPolarHBondContact O-CE 3.46Å; V183-K199 PolarHBondContact O-NZ 3.4Å; M195-K199 PolarHBondContact O-N 2.89Å; A196-K199 PolarHBondContact O-N 3.12Å; K199-K202 PolarHBondContact O-N 2.98Å; K199-L203 PolarHBondContact O-N 3.43Å
200	M	85.1	Confident	82	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-51.2	175	-168.1	61.1	77.9	0	0	110.9	L142 A175 C177 Y180 T182 A196 A197 K202 L203 I204	L142-M200 HydrophobicContact CD1-CB 4.19Å; L142-M200 HydrophobicContact CD1-CG 3.58Å; L142-M200 HydrophobicContact CD2-CB 4.05Å; L142-M200 HydrophobicContact CD2-CG 3.91Å; L142-M200 HydrophobicContact CG-CG 4.43Å; A175-M200 HydrophobicContact CB-CE 4.49Å; A175-M200 WeakPolarHBondContact O-CE 3.38Å; C177-M200 HydrophobicContact CB-CE 3.77Å; C177-M200 HydrophobicContact CB-CG 4.04Å; C177-M200 HydrophobicContact CB-SD 3.93Å; Y180-M200 WeakPolarHBondContact O-CE 3.49Å; T182-M200 HydrophobicContact CG2-CB 4.34Å; T182-M200 HydrophobicContact CG2-CE 3.81Å; T182-M200 HydrophobicContact CG2-SD 4Å; T182-M200 WeakPolarHBondContact OG1-CE 3.3Å; A196-M200 PolarHBondContact O-N 2.98Å; A197-M200 PolarHBondContact O-N 2.99Å; M200-K202 PolarHBondContact O-N 2.88Å; M200-L203 WeakPolarHBondContact O-CA 3.49Å; M200-L203 WeakPolarHBondContact O-CB 3.24Å; M200-L203 PolarHBondContact O-N 3.16Å; M200-I204 HydrophobicContact CG-CD1 4.24Å; M200-I204 VanDerWaalsContact O-CG1 3.27Å; M200-I204 WeakPolarHBondContact O-CG1 3.5Å; M200-I204 PolarHBondContact O-N 3.49Å
201	N	89	Confident	80.2	Confident	8 Å²	8	49.1 Å²	49.1	4%	0.043	25%	0.249	C	C	.	.	H	α-helix	trans	-57.1	-36.7	176.8	-71.2	-25.7	0	0	0	112.6	L131 N138 A197 A198 K205	L131-N201 HydrophobicContact CD2-CB 3.8Å; N138-N201 WeakPolarHBondContact CA-ND2 3.43Å; N138-N201 WeakPolarHBondContact CB-ND2 3.04Å; N138-N201 PolarHBondContact O-ND2 3.25Å; A197-N201 WeakPolarHBondContact O-CB 3.46Å; A197-N201 VanDerWaalsContact O-CG 3.27Å; A197-N201 PolarHBondContact O-N 2.9Å; A197-N201 PolarHBondContact O-ND2 3.07Å; A198-N201 PolarHBondContact O-N 2.92Å; N201-K205 WeakPolarHBondContact O-CB 3.5Å; N201-K205 PolarHBondContact O-N 3.35Å
202	K	85.2	Confident	78.2	Confident	141 Å²	141	52.4 Å²	52.4	61%	0.613	25%	0.254	S	S	*	.	H	α-helix	trans	-66.6	-42.8	174.6	-172.1	178.1	-179.3	179.9	0	111.9	A198 K199 M200 I204 K205 N206	A198-K202 WeakPolarHBondContact O-CB 3.49Å; A198-K202 PolarHBondContact O-N 3.04Å; K199-K202 PolarHBondContact O-N 2.98Å; M200-K202 PolarHBondContact O-N 2.88Å; K202-I204 VanDerWaalsContact C-N 3.34Å; K202-K205 PolarHBondContact O-N 3.32Å; K202-N206 WeakPolarHBondContact O-CB 3.35Å; K202-N206 VanDerWaalsContact O-CG 3.26Å; K202-N206 PolarHBondContact O-N 2.85Å; K202-N206 PolarHBondContact O-OD1 3.19Å
203	L	81.4	Confident	76.1	Confident	47 Å²	47	58 Å²	58	25%	0.246	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-46.7	174.8	-175.1	156	0	0	0	110.7	F121 Y180 T182 K199 M200 N206 R207	F121-L203 HydrophobicContact CE2-CD2 4.09Å; Y180-L203 HydrophobicContact CD1-CD1 4.12Å; Y180-L203 HydrophobicContact CD1-CD2 3.86Å; Y180-L203 HydrophobicContact CE1-CD2 4.16Å; Y180-L203 HydrophobicContact CG-CD2 4.07Å; T182-L203 HydrophobicContact CG2-CD1 4.24Å; K199-L203 PolarHBondContact O-N 3.43Å; M200-L203 WeakPolarHBondContact O-CA 3.49Å; M200-L203 WeakPolarHBondContact O-CB 3.24Å; M200-L203 PolarHBondContact O-N 3.16Å; L203-N206 PolarHBondContact O-N 3.3Å; L203-R207 HydrophobicContact CD2-CG 4.33Å; L203-R207 PolarHBondContact O-N 3.38Å
204	I	83.2	Confident	73.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-56.6	-53	174.7	-62.8	179	0	0	0	110	F121 I127 L131 L142 I145 M200 K202 N206 R207 V208	F121-I204 HydrophobicContact CD1-CB 4.24Å; F121-I204 HydrophobicContact CD1-CG1 4.09Å; F121-I204 HydrophobicContact CD1-CG2 3.57Å; F121-I204 HydrophobicContact CE1-CB 4.11Å; F121-I204 HydrophobicContact CE1-CD1 3.76Å; F121-I204 HydrophobicContact CE1-CG1 3.45Å; F121-I204 VanDerWaalsContact CE1-CG1 3.45Å; F121-I204 HydrophobicContact CE1-CG2 3.78Å; F121-I204 HydrophobicContact CE2-CG1 4.03Å; F121-I204 HydrophobicContact CG-CG2 4.11Å; F121-I204 HydrophobicContact CZ-CB 4.38Å; F121-I204 HydrophobicContact CZ-CD1 4.03Å; F121-I204 HydrophobicContact CZ-CG1 3.47Å; F121-I204 VanDerWaalsContact CZ-CG1 3.47Å; I127-I204 HydrophobicContact CG2-CG2 4Å; L131-I204 HydrophobicContact CD1-CG2 4.14Å; L142-I204 HydrophobicContact CD1-CD1 3.47Å; L142-I204 VanDerWaalsContact CD1-CD1 3.47Å; I145-I204 HydrophobicContact CD1-CD1 4.33Å; I145-I204 HydrophobicContact CG2-CD1 4.38Å; M200-I204 HydrophobicContact CG-CD1 4.24Å; M200-I204 VanDerWaalsContact O-CG1 3.27Å; M200-I204 WeakPolarHBondContact O-CG1 3.5Å; M200-I204 PolarHBondContact O-N 3.49Å; K202-I204 VanDerWaalsContact C-N 3.34Å; I204-N206 VanDerWaalsContact C-N 3.31Å; I204-N206 PolarHBondContact O-N 3.46Å; I204-R207 PolarHBondContact O-N 3.11Å; I204-V208 HydrophobicContact CG2-CG2 4.08Å; I204-V208 WeakPolarHBondContact O-CB 3.34Å; I204-V208 VanDerWaalsContact O-CG2 3.25Å; I204-V208 WeakPolarHBondContact O-CG2 3.49Å; I204-V208 PolarHBondContact O-N 3.19Å
205	K	83.5	Confident	70.6	Confident	85 Å²	85	66.5 Å²	66.5	37%	0.37	34%	0.337	S	S	.	.	H	α-helix	trans	-56.2	-45.6	-179.6	-171.1	175.9	-178.7	176.3	0	111.8	L131 N201 K202 M209	L131-K205 HydrophobicContact CD1-CB 3.94Å; L131-K205 HydrophobicContact CD1-CG 4.31Å; N201-K205 WeakPolarHBondContact O-CB 3.5Å; N201-K205 PolarHBondContact O-N 3.35Å; K202-K205 PolarHBondContact O-N 3.32Å; K205-M209 HydrophobicContact CD-CE 4.38Å; K205-M209 HydrophobicContact CG-CE 4.11Å; K205-M209 HydrophobicContact CG-CG 4.45Å; K205-M209 HydrophobicContact CG-SD 4.13Å; K205-M209 VanDerWaalsContact O-CB 3.31Å; K205-M209 WeakPolarHBondContact O-CB 3.42Å; K205-M209 VanDerWaalsContact O-CG 3.31Å; K205-M209 WeakPolarHBondContact O-CG 3.3Å; K205-M209 PolarHBondContact O-N 2.87Å
206	N	77.1	Confident	68	Low	97 Å²	97	70.1 Å²	70.1	52%	0.519	36%	0.357	S	S	.	.	H	α-helix	trans	-62.8	-43.3	179.5	-73	-3.4	0	0	0	111.7	K202 L203 I204 M209 S210	K202-N206 WeakPolarHBondContact O-CB 3.35Å; K202-N206 VanDerWaalsContact O-CG 3.26Å; K202-N206 PolarHBondContact O-N 2.85Å; K202-N206 PolarHBondContact O-OD1 3.19Å; L203-N206 PolarHBondContact O-N 3.3Å; I204-N206 VanDerWaalsContact C-N 3.31Å; I204-N206 PolarHBondContact O-N 3.46Å; N206-M209 PolarHBondContact O-N 3.39Å; N206-S210 VanDerWaalsContact O-CB 3.31Å; N206-S210 WeakPolarHBondContact O-CB 3.28Å; N206-S210 PolarHBondContact O-N 2.84Å; N206-S210 PolarHBondContact O-OG 2.69Å
207	R	73.5	Confident	65.3	Low	57 Å²	57	82.1 Å²	82.1	22%	0.215	40%	0.402	C	S	.	.	H	α-helix	trans	-65.1	-49.8	177.7	-76.5	-74.2	-166.6	-146.4	1.5	111.8	D120 F121 L203 I204 M209 S210 T211 E221	D120-R207 IonicContact OD1-NE 3.6Å; F121-R207 HydrophobicContact CB-CB 3.92Å; F121-R207 HydrophobicContact CD2-CB 3.77Å; F121-R207 HydrophobicContact CD2-CG 4.11Å; F121-R207 HydrophobicContact CG-CB 4.25Å; L203-R207 HydrophobicContact CD2-CG 4.33Å; L203-R207 PolarHBondContact O-N 3.38Å; I204-R207 PolarHBondContact O-N 3.11Å; R207-M209 VanDerWaalsContact C-N 3.27Å; R207-M209 PolarHBondContact O-N 3.28Å; R207-S210 WeakPolarHBondContact CA-OG 3.37Å; R207-S210 PolarHBondContact O-N 3.49Å; R207-S210 VanDerWaalsContact O-N 3.17Å; R207-S210 PolarHBondContact O-OG 3.29Å; R207-T211 PolarHBondContact O-N 3.02Å; R207-T211 VanDerWaalsContact O-N 3.08Å; R207-T211 PolarHBondContact O-OG1 3.44Å; R207-E221 IonicContact CZ-OE2 3.3Å; R207-E221 IonicContact NH1-OE2 3.19Å; R207-E221 PolarHBondContact NH1-OE2 3.38Å
208	V	74.5	Confident	62.3	Low	0 Å²	0	93.2 Å²	93.2	0%	0	44%	0.444	C	S	.	.	H	α-helix	trans	-57.8	-38.6	176.4	174.6	0	0	0	0	112	F121 Y123 I127 I128 I204 T211	F121-V208 HydrophobicContact CB-CG2 3.49Å; F121-V208 VanDerWaalsContact CB-CG2 3.49Å; F121-V208 HydrophobicContact CG-CG2 4.38Å; Y123-V208 HydrophobicContact CD2-CG1 4.16Å; I127-V208 HydrophobicContact CG2-CG2 4.33Å; I128-V208 HydrophobicContact CD1-CG1 3.74Å; I128-V208 HydrophobicContact CG1-CG1 3.64Å; I204-V208 HydrophobicContact CG2-CG2 4.08Å; I204-V208 WeakPolarHBondContact O-CB 3.34Å; I204-V208 VanDerWaalsContact O-CG2 3.25Å; I204-V208 WeakPolarHBondContact O-CG2 3.49Å; I204-V208 PolarHBondContact O-N 3.19Å; V208-T211 PolarHBondContact O-OG1 3.02Å; V208-T211 VanDerWaalsContact O-OG1 3.09Å
209	M	67.5	Low	59.5	Low	68 Å²	68	101.6 Å²	101.6	34%	0.335	48%	0.475	S	S	.	.	H	α-helix	trans	-78.9	-31.7	178.6	-72.3	-168.8	173	0	0	112.8	K205 N206 R207 T211 R212	K205-M209 HydrophobicContact CD-CE 4.38Å; K205-M209 HydrophobicContact CG-CE 4.11Å; K205-M209 HydrophobicContact CG-CG 4.45Å; K205-M209 HydrophobicContact CG-SD 4.13Å; K205-M209 VanDerWaalsContact O-CB 3.31Å; K205-M209 WeakPolarHBondContact O-CB 3.42Å; K205-M209 VanDerWaalsContact O-CG 3.31Å; K205-M209 WeakPolarHBondContact O-CG 3.3Å; K205-M209 PolarHBondContact O-N 2.87Å; N206-M209 PolarHBondContact O-N 3.39Å; R207-M209 VanDerWaalsContact C-N 3.27Å; R207-M209 PolarHBondContact O-N 3.28Å; M209-T211 VanDerWaalsContact C-N 3.27Å; M209-T211 PolarHBondContact O-N 3.01Å; M209-R212 WeakPolarHBondContact O-CB 3.47Å; M209-R212 PolarHBondContact O-N 3.2Å
210	S	58.7	Low	56.7	Low	70 Å²	70	100.9 Å²	100.9	49%	0.49	49%	0.493	S	S	.	.	H	α-helix	trans	-67.2	-28.4	173.9	68.5	0	0	0	0	112.9	N206 R207 R212	N206-S210 VanDerWaalsContact O-CB 3.31Å; N206-S210 WeakPolarHBondContact O-CB 3.28Å; N206-S210 PolarHBondContact O-N 2.84Å; N206-S210 PolarHBondContact O-OG 2.69Å; R207-S210 WeakPolarHBondContact CA-OG 3.37Å; R207-S210 PolarHBondContact O-N 3.49Å; R207-S210 VanDerWaalsContact O-N 3.17Å; R207-S210 PolarHBondContact O-OG 3.29Å; S210-R212 VanDerWaalsContact C-N 3.28Å; S210-R212 PolarHBondContact O-N 2.88Å
211	T	49.8	Very low	54.1	Low	55 Å²	55	107.8 Å²	107.8	34%	0.337	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	7.5	174.4	43.1	0	0	0	0	113.5	F121 R207 V208 M209	F121-T211 PolarHBondContact O-OG1 3.44Å; R207-T211 PolarHBondContact O-N 3.02Å; R207-T211 VanDerWaalsContact O-N 3.08Å; R207-T211 PolarHBondContact O-OG1 3.44Å; V208-T211 PolarHBondContact O-OG1 3.02Å; V208-T211 VanDerWaalsContact O-OG1 3.09Å; M209-T211 VanDerWaalsContact C-N 3.27Å; M209-T211 PolarHBondContact O-N 3.01Å
212	R	44.1	Very low	51.2	Low	136 Å²	136	116.3 Å²	116.3	51%	0.513	56%	0.562	S	S	.	*	S	Bend	trans	-53.1	135.3	161.6	-85.6	-174.4	167.8	-176.8	-2.1	107.7	Y123 M209 S210 T214	Y123-R212 HydrophobicContact CD2-CG 4.11Å; Y123-R212 HydrophobicContact CE2-CG 4.25Å; M209-R212 WeakPolarHBondContact O-CB 3.47Å; M209-R212 PolarHBondContact O-N 3.2Å; S210-R212 VanDerWaalsContact C-N 3.28Å; S210-R212 PolarHBondContact O-N 2.88Å; R212-T214 PolarHBondContact O-N 3.4Å; R212-T214 PolarHBondContact O-OG1 3.1Å
213	P	36	Very low	48.5	Very low	117 Å²	117	116.8 Å²	116.8	76%	0.76	56%	0.561	S	S	*	*			trans	-72	71	-175.5	29.8	-34.1	0	0	0	110
214	T	31.3	Very low	46	Very low	117 Å²	117	122 Å²	122	72%	0.718	59%	0.589	S	S	*	*			trans	-87.3	104.6	157.8	36.8	0	0	0	0	106.4	R212 L216	R212-T214 PolarHBondContact O-N 3.4Å; R212-T214 PolarHBondContact O-OG1 3.1Å; T214-L216 PolarHBondContact O-N 3.02Å
215	F	31.9	Very low	43.7	Very low	189 Å²	189	124.3 Å²	124.3	83%	0.829	61%	0.612	S	S	*	*			trans	-32.5	126	163.7	-70.6	-96.7	0	0	0	111.2
216	L	29.6	Very low	41.3	Very low	169 Å²	169	127.2 Å²	127.2	89%	0.885	63%	0.625	S	S	*	*			trans	54.5	90.4	160	-61.8	165.2	0	0	0	116	T214	T214-L216 PolarHBondContact O-N 3.02Å
217	R	26.6	Very low	39.3	Very low	251 Å²	251	127.8 Å²	127.8	95%	0.947	63%	0.626	S	S	*	*			trans	-138.3	109.4	141.9	-148.2	171	169.7	-175.9	-4.1	112.8
218	R	27.6	Very low	37.9	Very low	234 Å²	234	129.9 Å²	129.9	88%	0.883	64%	0.641	S	S	*	*			trans	-56	155.5	170.4	-93.1	173.8	165.8	167.7	-4.4	112.7
219	K	29.4	Very low	36.7	Very low	205 Å²	205	134.9 Å²	134.9	89%	0.891	67%	0.672	S	S	*	*			trans	80.3	107.5	150.8	-83.4	-178.9	172	-178.4	0	117.7
220	G	26.4	Very low	36.1	Very low	73 Å²	73	133.6 Å²	133.6	75%	0.753	67%	0.666	S	S	*	*				94.8	47.2	123.2	0	0	0	0	0	116.9	K222	G220-K222 PolarHBondContact O-N 3.39Å
221	E	29.5	Very low	36	Very low	145 Å²	145	135 Å²	135	68%	0.678	67%	0.669	S	S	*	*			trans	-79.3	104.7	160.7	-74.7	-168	159.4	0	0	109.3	R207 Y223	R207-E221 IonicContact CZ-OE2 3.3Å; R207-E221 IonicContact NH1-OE2 3.19Å; R207-E221 PolarHBondContact NH1-OE2 3.38Å; E221-Y223 PolarHBondContact O-N 2.93Å
222	K	29.2	Very low	36.3	Very low	187 Å²	187	136.4 Å²	136.4	81%	0.813	68%	0.677	S	S	*	*			trans	-58.1	115.4	166.9	-72.8	179.9	175	-178	0	108	G220 N224	G220-K222 PolarHBondContact O-N 3.39Å; K222-N224 PolarHBondContact O-N 3.27Å
223	Y	28.9	Very low	36.9	Very low	151 Å²	151	133.9 Å²	133.9	59%	0.592	68%	0.677	S	S	*	*			trans	-61.1	106.6	166.3	-105.1	-103.4	0	0	0	108.1	E221 G225	E221-Y223 PolarHBondContact O-N 2.93Å; Y223-G225 PolarHBondContact O-N 3.05Å
224	N	29	Very low	38.5	Very low	156 Å²	156	133.9 Å²	133.9	83%	0.834	67%	0.666	S	S	*	*			trans	-91.2	34.3	168.4	-82	5.6	0	0	0	111	K222 F226	K222-N224 PolarHBondContact O-N 3.27Å; N224-F226 PolarHBondContact O-N 2.92Å
225	G	33.1	Very low	40.3	Very low	48 Å²	48	131.4 Å²	131.4	50%	0.495	65%	0.651	S	S	.	*	S	Bend	trans	-84.7	106.1	173.7	0	0	0	0	0	109.3	Y223 M227	Y223-G225 PolarHBondContact O-N 3.05Å; G225-M227 VanDerWaalsContact C-N 3.33Å; G225-M227 PolarHBondContact O-N 3.24Å
226	F	34.7	Very low	42.1	Very low	147 Å²	147	123.4 Å²	123.4	65%	0.645	62%	0.62	S	S	*	*	S	Bend	trans	42.5	50.9	159.8	-92	-92.2	0	0	0	115.3	T181 N224	T181-F226 WeakPolarHBondContact OG1-CE2 3.44Å; N224-F226 PolarHBondContact O-N 2.92Å
227	M	34.4	Very low	44.2	Very low	109 Å²	109	122.4 Å²	122.4	54%	0.537	61%	0.605	S	S	.	*			trans	-105	73.6	157.1	-67.1	-169.3	95.8	0	0	106.3	C102 G225 T229	C102-M227 HydrophobicContact CB-CE 4.43Å; C102-M227 WeakPolarHBondContact O-CE 3.34Å; G225-M227 VanDerWaalsContact C-N 3.33Å; G225-M227 PolarHBondContact O-N 3.24Å; M227-T229 PolarHBondContact O-N 3.46Å
228	D	45	Very low	46.3	Very low	100 Å²	100	113.9 Å²	113.9	54%	0.535	58%	0.576	S	S	.	*			trans	-58.2	128.6	159.3	-80.8	-24.7	0	0	0	106	I230 P253	D228-I230 PolarHBondContact O-N 2.97Å; D228-P253 HydrophobicContact CB-CB 3.44Å; D228-P253 VanDerWaalsContact CB-CB 3.44Å; D228-P253 HydrophobicContact CB-CG 3.28Å
229	T	48.9	Very low	48.3	Very low	106 Å²	106	107.9 Å²	107.9	65%	0.65	56%	0.56	S	S	*	*			trans	-58.6	136.6	-175.1	39.6	0	0	0	0	109.4	M227 D231	M227-T229 PolarHBondContact O-N 3.46Å; T229-D231 PolarHBondContact O-N 3.47Å
230	I	54.6	Low	50	Low	41 Å²	41	100.1 Å²	100.1	21%	0.21	53%	0.53	C	S	.	.			trans	-63.9	108	172.2	-67.7	177.3	0	0	0	107.3	F99 C102 S103 D228 V250	F99-I230 HydrophobicContact CD2-CD1 4.03Å; F99-I230 HydrophobicContact CE2-CD1 3.86Å; F99-I230 HydrophobicContact CE2-CG2 3.92Å; F99-I230 HydrophobicContact CZ-CD1 4.48Å; C102-I230 HydrophobicContact CB-CD1 3.8Å; C102-I230 HydrophobicContact CB-CG1 4.18Å; S103-I230 WeakPolarHBondContact OG-CD1 3.41Å; D228-I230 PolarHBondContact O-N 2.97Å; I230-V250 HydrophobicContact CB-CG1 4.49Å; I230-V250 HydrophobicContact CG2-CB 4.46Å; I230-V250 HydrophobicContact CG2-CG1 3.01Å
231	D	56.5	Low	51.9	Low	100 Å²	100	104.4 Å²	104.4	54%	0.535	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	122.9	-179.3	-71.3	-18.3	0	0	0	109.8	T229 V233 R251	T229-D231 PolarHBondContact O-N 3.47Å; D231-V233 PolarHBondContact O-N 3.41Å; D231-R251 PolarHBondContact O-N 3.21Å
232	T	55.2	Low	53.6	Low	83 Å²	83	106 Å²	106	51%	0.509	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	112.3	169.6	-54.8	0	0	0	0	107.6
233	V	57.2	Low	55.2	Low	84 Å²	84	103.8 Å²	103.8	51%	0.509	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-44.9	-175.7	179.1	0	0	0	0	110.6	D231 Y249 R251	D231-V233 PolarHBondContact O-N 3.41Å; V233-Y249 PolarHBondContact N-O 3.5Å; V233-R251 HydrophobicContact CG2-CB 3.47Å; V233-R251 VanDerWaalsContact CG2-CB 3.47Å
234	E	69.5	Low	57.3	Low	116 Å²	116	104.7 Å²	104.7	54%	0.542	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	144.5	-174	-173.1	175	179.4	0	0	109.5	Y249	E234-Y249 HydrophobicContact CB-CD2 4.14Å; E234-Y249 HydrophobicContact CG-CD2 4.4Å; E234-Y249 PolarHBondContact N-O 2.67Å; E234-Y249 PolarHBondContact O-N 3.09Å
235	T	70	Confident	59.3	Low	65 Å²	65	97.5 Å²	97.5	40%	0.399	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117.7	170.4	-61.6	0	0	0	0	108.1	Q246 V247 H248	T235-Q246 HydrophobicContact CG2-CG 3.76Å; T235-V247 CarbonylContact C-O 3.35Å; T235-V247 VanDerWaalsContact CA-O 3.32Å; T235-V247 WeakPolarHBondContact CA-O 3.49Å; T235-H248 VanDerWaalsContact CG2-CE1 3.45Å; T235-H248 WeakPolarHBondContact CG2-CE1 2.94Å; T235-H248 WeakPolarHBondContact CG2-ND1 3.47Å; T235-H248 PolarHBondContact OG1-ND1 2.87Å
236	A	68.7	Low	61.4	Low	22 Å²	22	97.5 Å²	97.5	18%	0.182	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	158.3	179.7	0	0	0	0	0	110.1	V247 Y249	A236-V247 PolarHBondContact N-O 2.89Å; A236-V247 PolarHBondContact O-N 2.91Å; A236-Y249 HydrophobicContact CB-CE2 4.34Å
237	W	73.2	Confident	63.4	Low	147 Å²	147	90.8 Å²	90.8	56%	0.557	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.3	170	-70.9	91.6	0	0	0	108	W244 V245 Q246	W237-W244 HydrophobicContact CB-CE3 3.71Å; W237-W244 HydrophobicContact CB-CZ3 4.12Å; W237-W244 HydrophobicContact CE3-CB 3.95Å; W237-W244 HydrophobicContact CZ3-CB 4.46Å; W237-W244 WeakPolarHBondContact O-CZ3 3.39Å; W237-V245 WeakPolarHBondContact CA-O 3.49Å; W237-Q246 HydrophobicContact CD2-CB 4.37Å; W237-Q246 HydrophobicContact CE3-CB 4.02Å; W237-Q246 HydrophobicContact CH2-CB 3.83Å; W237-Q246 HydrophobicContact CH2-CG 4.25Å; W237-Q246 HydrophobicContact CZ2-CB 4.16Å; W237-Q246 HydrophobicContact CZ2-CG 4.07Å; W237-Q246 HydrophobicContact CZ3-CB 3.75Å
238	H	72.4	Confident	65.4	Low	73 Å²	73	87.2 Å²	87.2	34%	0.338	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.1	177.5	-72.7	-98.9	0	0	0	110.3	V240 W244 V245 V247 Y249	H238-V240 HydrophobicContact CB-CG2 4.21Å; H238-V240 PolarHBondContact O-N 3.11Å; H238-W244 WeakPolarHBondContact O-CA 3.34Å; H238-V245 PolarHBondContact N-O 3.34Å; H238-V245 PolarHBondContact O-N 3.17Å; H238-V247 HydrophobicContact CB-CG2 3.84Å; H238-V247 WeakPolarHBondContact CD2-CG2 3.38Å; H238-Y249 PolarHBondContact NE2-OH 3.47Å
239	L	69.6	Low	66.9	Low	107 Å²	107	85.3 Å²	85.3	56%	0.56	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	103.8	171.5	-169.1	74	0	0	0	108.7	R243 W244	L239-R243 CarbonylContact C-O 3.59Å; L239-R243 WeakPolarHBondContact CA-O 3.45Å; L239-W244 HydrophobicContact CB-CE3 4.38Å; L239-W244 HydrophobicContact CB-CZ3 4.38Å; L239-W244 HydrophobicContact CD1-CD2 4.28Å; L239-W244 HydrophobicContact CD1-CG 4.42Å
240	V	64	Low	68.2	Low	42 Å²	42	80.6 Å²	80.6	26%	0.255	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.3	177	-176	0	0	0	0	107.7	W10 H238 H242 R243 V245	W10-V240 HydrophobicContact CZ3-CG2 4.4Å; H238-V240 HydrophobicContact CB-CG2 4.21Å; H238-V240 PolarHBondContact O-N 3.11Å; V240-H242 VanDerWaalsContact C-N 3.27Å; V240-H242 PolarHBondContact O-N 2.93Å; V240-R243 PolarHBondContact N-O 3.37Å; V240-R243 PolarHBondContact O-N 3.08Å; V240-R243 VanDerWaalsContact O-O 3.07Å; V240-V245 HydrophobicContact CB-CG2 3.96Å; V240-V245 HydrophobicContact CG2-CB 4.37Å; V240-V245 HydrophobicContact CG2-CG2 4.21Å
241	E	65.9	Low	68.9	Low	164 Å²	164	85 Å²	85	77%	0.766	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	44.4	179.2	-62.3	178.2	173.8	0	0	113.6	R243	E241-R243 VanDerWaalsContact C-N 3.28Å; E241-R243 PolarHBondContact O-N 3.01Å
242	H	66.5	Low	69.1	Low	179 Å²	179	80.9 Å²	80.9	83%	0.829	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	20	-178.4	-44.8	84.6	0	0	0	115	V240	V240-H242 VanDerWaalsContact C-N 3.27Å; V240-H242 PolarHBondContact O-N 2.93Å
243	R	62.9	Low	68.9	Low	140 Å²	140	80.8 Å²	80.8	53%	0.528	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	145.1	176.5	-63.7	-174.7	179.1	-178.5	1.7	112.3	I6 L239 V240 E241 V245	I6-R243 VanDerWaalsContact CD1-NH1 3.29Å; I6-R243 VanDerWaalsContact CG1-NH1 3.33Å; L239-R243 CarbonylContact C-O 3.59Å; L239-R243 WeakPolarHBondContact CA-O 3.45Å; V240-R243 PolarHBondContact N-O 3.37Å; V240-R243 PolarHBondContact O-N 3.08Å; V240-R243 VanDerWaalsContact O-O 3.07Å; E241-R243 VanDerWaalsContact C-N 3.28Å; E241-R243 PolarHBondContact O-N 3.01Å; R243-V245 PolarHBondContact O-N 3.08Å
244	W	72.3	Confident	69.5	Low	170 Å²	170	80.6 Å²	80.6	64%	0.644	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	118.8	174.4	-69.7	106	0	0	0	109.8	W237 H238 L239	W237-W244 HydrophobicContact CB-CE3 3.71Å; W237-W244 HydrophobicContact CB-CZ3 4.12Å; W237-W244 HydrophobicContact CE3-CB 3.95Å; W237-W244 HydrophobicContact CZ3-CB 4.46Å; W237-W244 WeakPolarHBondContact O-CZ3 3.39Å; H238-W244 WeakPolarHBondContact O-CA 3.34Å; L239-W244 HydrophobicContact CB-CE3 4.38Å; L239-W244 HydrophobicContact CB-CZ3 4.38Å; L239-W244 HydrophobicContact CD1-CD2 4.28Å; L239-W244 HydrophobicContact CD1-CG 4.42Å
245	V	70.8	Confident	69.5	Low	4 Å²	4	78.7 Å²	78.7	2%	0.024	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.7	174.3	180	0	0	0	0	108.2	I7 W10 W237 H238 V240 R243 V247	I7-V245 HydrophobicContact CG2-CG1 4.03Å; W10-V245 HydrophobicContact CB-CG1 3.99Å; W237-V245 WeakPolarHBondContact CA-O 3.49Å; H238-V245 PolarHBondContact N-O 3.34Å; H238-V245 PolarHBondContact O-N 3.17Å; V240-V245 HydrophobicContact CB-CG2 3.96Å; V240-V245 HydrophobicContact CG2-CB 4.37Å; V240-V245 HydrophobicContact CG2-CG2 4.21Å; R243-V245 PolarHBondContact O-N 3.08Å; V245-V247 PolarHBondContact O-N 3.03Å
246	Q	77.1	Confident	69.5	Low	49 Å²	49	79.5 Å²	79.5	23%	0.229	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	116.7	174.4	-166.7	175.9	8.8	0	0	109.1	T8 Q9 W10 T235 W237 H248	T8-Q246 PolarHBondContact O-N 2.93Å; Q9-Q246 WeakPolarHBondContact CA-O 3.48Å; W10-Q246 PolarHBondContact N-O 3.41Å; T235-Q246 HydrophobicContact CG2-CG 3.76Å; W237-Q246 HydrophobicContact CD2-CB 4.37Å; W237-Q246 HydrophobicContact CE3-CB 4.02Å; W237-Q246 HydrophobicContact CH2-CB 3.83Å; W237-Q246 HydrophobicContact CH2-CG 4.25Å; W237-Q246 HydrophobicContact CZ2-CB 4.16Å; W237-Q246 HydrophobicContact CZ2-CG 4.07Å; W237-Q246 HydrophobicContact CZ3-CB 3.75Å; Q246-H248 VanDerWaalsContact CD-NE2 3.35Å; Q246-H248 PolarHBondContact NE2-CE1 3.4Å
247	V	76.6	Confident	69.5	Low	5 Å²	5	82.9 Å²	82.9	3%	0.03	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.5	-179.3	-172.8	0	0	0	0	109.4	W10 T235 A236 H238 V245 Y249	W10-V247 HydrophobicContact CB-CG1 4.43Å; W10-V247 HydrophobicContact CB-CG2 4.12Å; W10-V247 CarbonylContact O-C 3.55Å; W10-V247 VanDerWaalsContact O-CA 3.24Å; W10-V247 WeakPolarHBondContact O-CA 3.42Å; T235-V247 CarbonylContact C-O 3.35Å; T235-V247 VanDerWaalsContact CA-O 3.32Å; T235-V247 WeakPolarHBondContact CA-O 3.49Å; A236-V247 PolarHBondContact N-O 2.89Å; A236-V247 PolarHBondContact O-N 2.91Å; H238-V247 HydrophobicContact CB-CG2 3.84Å; H238-V247 WeakPolarHBondContact CD2-CG2 3.38Å; V245-V247 PolarHBondContact O-N 3.03Å; V247-Y249 HydrophobicContact CB-CE2 4.46Å; V247-Y249 HydrophobicContact CG1-CD2 4.4Å; V247-Y249 HydrophobicContact CG1-CE1 4.46Å; V247-Y249 HydrophobicContact CG1-CE2 3.83Å
248	H	76.3	Confident	69.3	Low	34 Å²	34	78.9 Å²	78.9	16%	0.157	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.4	177	-60.8	-77.9	0	0	0	109.8	W10 I11 C12 T235 Q246 V250	W10-H248 PolarHBondContact O-N 2.67Å; I11-H248 CarbonylContact C-O 3.53Å; I11-H248 WeakPolarHBondContact CA-O 3.26Å; I11-H248 HydrophobicContact CG1-CB 4.3Å; C12-H248 PolarHBondContact N-O 2.99Å; T235-H248 VanDerWaalsContact CG2-CE1 3.45Å; T235-H248 WeakPolarHBondContact CG2-CE1 2.94Å; T235-H248 WeakPolarHBondContact CG2-ND1 3.47Å; T235-H248 PolarHBondContact OG1-ND1 2.87Å; Q246-H248 VanDerWaalsContact CD-NE2 3.35Å; Q246-H248 PolarHBondContact NE2-CE1 3.4Å; H248-V250 HydrophobicContact CB-CG2 4.25Å
249	Y	76.2	Confident	69.1	Low	61 Å²	61	79.3 Å²	79.3	24%	0.239	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	121.1	171	-63.3	-86	0	0	0	109	C12 L14 V233 E234 A236 H238 V247	C12-Y249 HydrophobicContact CB-CD1 3.54Å; C12-Y249 HydrophobicContact CB-CE1 3.78Å; C12-Y249 HydrophobicContact CB-CG 4.34Å; C12-Y249 WeakPolarHBondContact O-CA 3.15Å; L14-Y249 HydrophobicContact CD2-CD1 4.01Å; V233-Y249 PolarHBondContact N-O 3.5Å; E234-Y249 HydrophobicContact CB-CD2 4.14Å; E234-Y249 HydrophobicContact CG-CD2 4.4Å; E234-Y249 PolarHBondContact N-O 2.67Å; E234-Y249 PolarHBondContact O-N 3.09Å; A236-Y249 HydrophobicContact CB-CE2 4.34Å; H238-Y249 PolarHBondContact NE2-OH 3.47Å; V247-Y249 HydrophobicContact CB-CE2 4.46Å; V247-Y249 HydrophobicContact CG1-CD2 4.4Å; V247-Y249 HydrophobicContact CG1-CE1 4.46Å; V247-Y249 HydrophobicContact CG1-CE2 3.83Å
250	V	76.8	Confident	69.1	Low	6 Å²	6	77.3 Å²	77.3	4%	0.036	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.8	-170.5	-178.3	0	0	0	0	109.1	I11 C12 L14 F99 I230 H248	I11-V250 HydrophobicContact CG2-CB 4.38Å; I11-V250 HydrophobicContact CG2-CG2 3.81Å; C12-V250 PolarHBondContact O-N 2.7Å; L14-V250 PolarHBondContact N-O 2.68Å; F99-V250 HydrophobicContact CE2-CB 4.48Å; F99-V250 HydrophobicContact CE2-CG1 3.91Å; I230-V250 HydrophobicContact CB-CG1 4.49Å; I230-V250 HydrophobicContact CG2-CB 4.46Å; I230-V250 HydrophobicContact CG2-CG1 3.01Å; H248-V250 HydrophobicContact CB-CG2 4.25Å
251	R	68.3	Low	69.5	Low	135 Å²	135	80 Å²	80	51%	0.509	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	138.2	178.9	-163.6	177.2	-147.7	168.5	6.5	109.9	D231 V233	D231-R251 PolarHBondContact O-N 3.21Å; V233-R251 HydrophobicContact CG2-CB 3.47Å; V233-R251 VanDerWaalsContact CG2-CB 3.47Å
252	F	61.2	Low	69.8	Low	12 Å²	12	73 Å²	73	5%	0.053	32%	0.317	C	S	.	.			trans	-78.6	133.7	169.1	-105.3	-80.1	0	0	0	110.6	I13 P16 L95 H98 F99 C102	I13-F252 HydrophobicContact CG2-CD2 3.98Å; I13-F252 HydrophobicContact CG2-CE2 4.22Å; P16-F252 HydrophobicContact CB-CB 4.17Å; P16-F252 HydrophobicContact CG-CB 4.44Å; L95-F252 HydrophobicContact CD1-CD2 3.82Å; L95-F252 HydrophobicContact CD1-CE2 4.25Å; L95-F252 HydrophobicContact CD1-CG 4.43Å; H98-F252 HydrophobicContact CB-CZ 4.2Å; H98-F252 AromaticContact CD2-CD1 3.85Å; H98-F252 AromaticContact CD2-CE1 3.23Å; H98-F252 WeakPolarHBondContact CD2-CE1 3.42Å; H98-F252 AromaticContact CD2-CZ 3.66Å; H98-F252 AromaticContact NE2-CE1 3.89Å; F99-F252 HydrophobicContact CB-CE2 3.68Å; F99-F252 HydrophobicContact CB-CZ 4.07Å; F99-F252 AromaticContact CD2-CE2 3.76Å; F99-F252 HydrophobicContact CD2-CE2 3.76Å; F99-F252 HydrophobicContact CD2-CZ 4.32Å; F99-F252 HydrophobicContact CG-CE2 4.22Å; F99-F252 VanDerWaalsContact N-CZ 3.32Å; C102-F252 HydrophobicContact CB-CE1 4.13Å; C102-F252 HydrophobicContact CB-CZ 4.22Å
253	P	52.3	Low	70.1	Confident	81 Å²	81	63.4 Å²	63.4	53%	0.526	27%	0.271	S	S	.	.			trans	-62.8	0	166.8	26.1	-32.3	0	0	0	111.8	V20 D228	V20-P253 WeakPolarHBondContact CG1-O 3.48Å; D228-P253 HydrophobicContact CB-CB 3.44Å; D228-P253 VanDerWaalsContact CB-CB 3.44Å; D228-P253 HydrophobicContact CB-CG 3.28Å

Retrieved 253 of 253 residues in 499 ms (Link to these results)

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