A0A3Q0KR08_SCHMA Loading...

Sphingoid long chain base kinase

AlphaFold DB (A0A5K4ETP2), UniProt , Accession A0A3Q0KR08, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 551 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	31	Very low	26.2	Very low	241 Å²	241	164.1 Å²	164.1	100%	1.187	80%	0.799	S	S	*	*				0	88	0	-92.2	175.1	170.1	0	0	108.1	S3	M1-S3 PolarHBondContact O-N 2.75Å; M1-S3 VanDerWaalsContact O-N 3.14Å
2	F	24.4	Very low	27.3	Very low	205 Å²	205	158.5 Å²	158.5	90%	0.899	79%	0.785	S	S	*	*			trans	-80.3	94.7	174.5	-80.9	-83.4	0	0	0	108.3	L4	F2-L4 PolarHBondContact O-N 3.12Å; F2-L4 VanDerWaalsContact O-N 3.16Å
3	S	22.9	Very low	28.6	Very low	107 Å²	107	154.5 Å²	154.5	75%	0.748	77%	0.769	S	S	*	*			trans	-73.2	93.2	165.2	167.6	0	0	0	0	107.6	M1 K5	M1-S3 PolarHBondContact O-N 2.75Å; M1-S3 VanDerWaalsContact O-N 3.14Å; S3-K5 PolarHBondContact O-N 3.25Å; S3-K5 VanDerWaalsContact O-N 3.08Å
4	L	23.3	Very low	30.2	Very low	150 Å²	150	145.7 Å²	145.7	79%	0.785	73%	0.727	S	S	*	*			trans	-65.1	105.8	169.6	-92.1	128.2	0	0	0	108.9	F2 F6	F2-L4 PolarHBondContact O-N 3.12Å; F2-L4 VanDerWaalsContact O-N 3.16Å; L4-F6 PolarHBondContact O-N 2.85Å
5	K	22.2	Very low	31.4	Very low	193 Å²	193	141.3 Å²	141.3	84%	0.839	72%	0.715	S	S	*	*			trans	-66.9	117.8	163.8	-78.2	179.6	173.4	-179.7	0	107.7	S3 D7	S3-K5 PolarHBondContact O-N 3.25Å; S3-K5 VanDerWaalsContact O-N 3.08Å; K5-D7 PolarHBondContact O-N 2.95Å
6	F	23.5	Very low	33.3	Very low	184 Å²	184	134.9 Å²	134.9	81%	0.807	69%	0.685	S	S	*	*			trans	-68.8	106.5	168.9	-81.7	-90.9	0	0	0	109.2	L4 L8	L4-F6 PolarHBondContact O-N 2.85Å; F6-L8 PolarHBondContact O-N 3.19Å
7	D	22.9	Very low	34.9	Very low	156 Å²	156	131.8 Å²	131.8	83%	0.834	67%	0.674	S	S	*	*			trans	-79.9	94.4	167.5	-129.8	-18.8	0	0	0	107.7	K5 K9	K5-D7 PolarHBondContact O-N 2.95Å; D7-K9 PolarHBondContact O-N 2.73Å
8	L	26.7	Very low	36.7	Very low	124 Å²	124	125.8 Å²	125.8	65%	0.649	64%	0.642	S	S	*	*			trans	-73.9	66	178.2	-80	161.7	0	0	0	110.9	F6 M10	F6-L8 PolarHBondContact O-N 3.19Å; L8-M10 VanDerWaalsContact C-N 3.32Å; L8-M10 HydrophobicContact CD2-CE 3.31Å; L8-M10 HydrophobicContact CD2-CG 4.1Å; L8-M10 HydrophobicContact CD2-SD 3.72Å; L8-M10 PolarHBondContact O-N 2.65Å
9	K	25	Very low	38.1	Very low	192 Å²	192	124.3 Å²	124.3	84%	0.835	64%	0.636	S	S	*	*			trans	-93	78.2	154.6	-77.5	-173.1	177.9	179.5	0	107.8	D7 Q11	D7-K9 PolarHBondContact O-N 2.73Å; K9-Q11 PolarHBondContact O-N 3.21Å
10	M	34.5	Very low	39.6	Very low	100 Å²	100	118.2 Å²	118.2	49%	0.493	60%	0.604	S	S	.	*			trans	-51.8	110.4	-178.8	-70.7	-77.4	-156.8	0	0	111.6	L8 V14	L8-M10 VanDerWaalsContact C-N 3.32Å; L8-M10 HydrophobicContact CD2-CE 3.31Å; L8-M10 HydrophobicContact CD2-CG 4.1Å; L8-M10 HydrophobicContact CD2-SD 3.72Å; L8-M10 PolarHBondContact O-N 2.65Å; M10-V14 HydrophobicContact SD-CG2 4.16Å
11	Q	31.5	Very low	40.9	Very low	153 Å²	153	114.1 Å²	114.1	72%	0.715	59%	0.586	S	S	*	*			trans	-79.4	154.5	164.9	-73	-165.1	-12.4	0	0	110.1	K9 N13	K9-Q11 PolarHBondContact O-N 3.21Å; Q11-N13 PolarHBondContact O-N 3.14Å
12	P	40	Very low	42.6	Very low	97 Å²	97	103.2 Å²	103.2	63%	0.63	53%	0.532	S	S	*	.	S	Bend	trans	-58.1	-5.1	-177.4	-16.1	21.4	0	0	0	116.5	E37	P12-E37 VanDerWaalsContact CB-OE1 3.22Å; P12-E37 WeakPolarHBondContact CB-OE1 3.46Å; P12-E37 WeakPolarHBondContact O-CG 3.39Å
13	N	44.1	Very low	44.3	Very low	107 Å²	107	96 Å²	96	57%	0.572	50%	0.503	S	S	*	.			trans	-111.7	85.4	176	-68.4	-45.6	0	0	0	109.9	Q11 C15	Q11-N13 PolarHBondContact O-N 3.14Å; N13-C15 PolarHBondContact O-N 3.49Å
14	V	50.6	Low	45.7	Very low	31 Å²	31	96.4 Å²	96.4	19%	0.188	50%	0.503	C	S	.	.			trans	-74.5	75.5	173.8	-174.6	0	0	0	0	109.6	M10 T16 L35 F123	M10-V14 HydrophobicContact SD-CG2 4.16Å; V14-T16 VanDerWaalsContact C-N 3.33Å; V14-T16 HydrophobicContact CG1-CG2 4.13Å; V14-T16 PolarHBondContact O-N 3.25Å; V14-L35 CarbonylContact C-O 3.56Å; V14-L35 CarbonylContact O-C 3.54Å; V14-L35 WeakPolarHBondContact O-CB 3.33Å; V14-F123 HydrophobicContact CG2-CD1 4.29Å; V14-F123 HydrophobicContact CG2-CE1 4.09Å
15	C	48.6	Very low	47.1	Very low	80 Å²	80	92.5 Å²	92.5	54%	0.541	49%	0.486	S	S	.	.			trans	-75.3	88.7	166	-176.6	0	0	0	0	108.6	N13 Y34	N13-C15 PolarHBondContact O-N 3.49Å; C15-Y34 WeakPolarHBondContact SG-CD1 3.39Å
16	T	61.5	Low	48.5	Very low	38 Å²	38	93.3 Å²	93.3	23%	0.233	49%	0.489	C	S	.	.			trans	-97.4	120.3	167	28.7	0	0	0	0	109.7	V14 Y18	V14-T16 VanDerWaalsContact C-N 3.33Å; V14-T16 HydrophobicContact CG1-CG2 4.13Å; V14-T16 PolarHBondContact O-N 3.25Å; T16-Y18 VanDerWaalsContact CB-CE2 3.49Å; T16-Y18 HydrophobicContact CG2-CE2 4.36Å
17	T	60.6	Low	50.2	Low	83 Å²	83	91.7 Å²	91.7	51%	0.509	48%	0.484	S	S	.	.			trans	-95.6	123.6	178.2	-68.1	0	0	0	0	109.5	T32 L33	T17-T32 HydrophobicContact CG2-CG2 3.34Å; T17-L33 WeakPolarHBondContact CA-O 3.44Å
18	Y	67.4	Low	52.1	Low	24 Å²	24	88.7 Å²	88.7	9%	0.094	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.7	173	-58.1	-82.9	0	0	0	110.2	T16 V20 T32 L33 F108 C117	T16-Y18 VanDerWaalsContact CB-CE2 3.49Å; T16-Y18 HydrophobicContact CG2-CE2 4.36Å; Y18-V20 PolarHBondContact O-N 3.34Å; Y18-T32 WeakPolarHBondContact O-CA 3.45Å; Y18-L33 HydrophobicContact CD2-CB 4.35Å; Y18-L33 HydrophobicContact CD2-CD2 4.17Å; Y18-L33 PolarHBondContact O-N 2.91Å; Y18-F108 HydrophobicContact CD1-CE1 4Å; Y18-F108 HydrophobicContact CG-CE1 4.04Å; Y18-C117 HydrophobicContact CD1-CB 4.22Å; Y18-C117 HydrophobicContact CD2-CB 4.09Å; Y18-C117 HydrophobicContact CE1-CB 3.83Å; Y18-C117 HydrophobicContact CE2-CB 3.66Å; Y18-C117 HydrophobicContact CG-CB 4.36Å; Y18-C117 WeakPolarHBondContact OH-CA 3.46Å; Y18-C117 PolarHBondContact OH-N 3.42Å
19	D	63.2	Low	54.1	Low	97 Å²	97	84.5 Å²	84.5	52%	0.519	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	106.7	167	-88.8	-32	0	0	0	109.4	N45	D19-N45 PolarHBondContact OD1-ND2 3.08Å
20	V	69.1	Low	56.5	Low	2 Å²	2	83.5 Å²	83.5	1%	0.012	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	152.5	-172.6	-63	0	0	0	0	112.6	Y18 I22 R30 C31 I106 L107 F108	Y18-V20 PolarHBondContact O-N 3.34Å; V20-I22 HydrophobicContact CG2-CG1 4.47Å; V20-R30 CarbonylContact O-C 3.48Å; V20-R30 VanDerWaalsContact O-CA 3.32Å; V20-R30 WeakPolarHBondContact O-CA 3.32Å; V20-C31 HydrophobicContact CG2-CB 4.18Å; V20-C31 WeakPolarHBondContact CG2-O 3.15Å; V20-C31 PolarHBondContact N-O 3.24Å; V20-C31 PolarHBondContact O-N 3.11Å; V20-I106 HydrophobicContact CB-CG2 3.44Å; V20-I106 VanDerWaalsContact CB-CG2 3.44Å; V20-I106 HydrophobicContact CG1-CG2 3.4Å; V20-I106 VanDerWaalsContact CG1-CG2 3.4Å; V20-I106 HydrophobicContact CG2-CG2 3.77Å; V20-L107 WeakPolarHBondContact CA-O 3.47Å; V20-F108 HydrophobicContact CG1-CD1 4.14Å; V20-F108 HydrophobicContact CG1-CE1 3.69Å; V20-F108 HydrophobicContact CG1-CE2 4.33Å; V20-F108 HydrophobicContact CG1-CZ 3.79Å
21	C	66.5	Low	58.6	Low	33 Å²	33	78.8 Å²	78.8	22%	0.223	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.6	168.2	-70.3	0	0	0	0	110.8	Q28 M29 L107	C21-Q28 HydrophobicContact CB-CB 4.49Å; C21-M29 WeakPolarHBondContact CA-O 3.41Å; C21-L107 HydrophobicContact CB-CB 4.02Å; C21-L107 HydrophobicContact CB-CD1 4.04Å; C21-L107 PolarHBondContact N-O 3.45Å; C21-L107 PolarHBondContact O-N 3.28Å
22	I	67.1	Low	61	Low	11 Å²	11	72.2 Å²	72.2	6%	0.056	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	139.2	-178.5	-66.9	177.3	0	0	0	112.8	V20 V25 M29 C31 V42 L104 D105	V20-I22 HydrophobicContact CG2-CG1 4.47Å; I22-V25 HydrophobicContact CG2-CG2 4.3Å; I22-M29 PolarHBondContact N-O 2.95Å; I22-C31 HydrophobicContact CD1-CB 4.07Å; I22-V42 HydrophobicContact CD1-CB 4.27Å; I22-V42 HydrophobicContact CD1-CG1 3.14Å; I22-V42 HydrophobicContact CD1-CG2 4.18Å; I22-L104 HydrophobicContact CB-CD1 4.49Å; I22-L104 HydrophobicContact CD1-CD1 4.29Å; I22-L104 HydrophobicContact CG1-CD1 4.4Å; I22-L104 HydrophobicContact CG2-CD1 3.39Å; I22-D105 WeakPolarHBondContact CA-O 3.36Å
23	L	59.8	Low	62.9	Low	54 Å²	54	67.6 Å²	67.6	28%	0.283	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	155.1	170.1	-63.9	171.3	0	0	0	110.6	Q28 D105 L107	L23-Q28 HydrophobicContact CD2-CG 4.36Å; L23-D105 HydrophobicContact CB-CB 4.24Å; L23-D105 PolarHBondContact N-O 2.91Å; L23-L107 HydrophobicContact CD1-CD1 4.22Å; L23-L107 HydrophobicContact CG-CD1 4.48Å
24	P	52.3	Low	64.7	Low	116 Å²	116	66.4 Å²	66.4	75%	0.753	34%	0.339	S	S	*	.	S	Bend	cis	-99.7	37	6.1	40.3	-36	0	0	0	113.1	F26	P24-F26 PolarHBondContact O-N 2.69Å; P24-F26 VanDerWaalsContact O-N 3.1Å
25	V	53.1	Low	66.1	Low	68 Å²	68	65.1 Å²	65.1	41%	0.412	33%	0.331	S	S	.	.	S	Bend	trans	-51.1	127.7	170.5	-172.8	0	0	0	0	106.8	I22 H27	I22-V25 HydrophobicContact CG2-CG2 4.3Å; V25-H27 WeakPolarHBondContact CB-O 3.45Å; V25-H27 WeakPolarHBondContact CG1-O 2.94Å; V25-H27 CarbonylContact O-C 3.42Å; V25-H27 PolarHBondContact O-N 2.91Å
26	F	51.3	Low	67.4	Low	209 Å²	209	63.6 Å²	63.6	92%	0.917	32%	0.317	S	S	*	.	S	Bend	trans	-51.2	-14.9	-174.6	-73.4	-84.6	0	0	0	113.4	P24	P24-F26 PolarHBondContact O-N 2.69Å; P24-F26 VanDerWaalsContact O-N 3.1Å
27	H	58.4	Low	67.9	Low	151 Å²	151	66.9 Å²	66.9	70%	0.699	33%	0.33	S	S	*	.	S	Bend	trans	-128.6	136.5	170.4	-65	65.7	0	0	0	109.7	V25 M29	V25-H27 WeakPolarHBondContact CB-O 3.45Å; V25-H27 WeakPolarHBondContact CG1-O 2.94Å; V25-H27 CarbonylContact O-C 3.42Å; V25-H27 PolarHBondContact O-N 2.91Å; H27-M29 PolarHBondContact O-N 2.85Å
28	Q	62.1	Low	68.5	Low	92 Å²	92	68 Å²	68	43%	0.43	33%	0.332	S	S	.	.			trans	-58.6	121.4	167.9	-70.7	-172.4	-51.2	0	0	108.8	C21 L23 K70	C21-Q28 HydrophobicContact CB-CB 4.49Å; L23-Q28 HydrophobicContact CD2-CG 4.36Å; Q28-K70 VanDerWaalsContact CD-NZ 3.25Å
29	M	70	Confident	69.1	Low	37 Å²	37	66.9 Å²	66.9	18%	0.182	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.7	-178.8	-174.6	169.8	70.1	0	0	109.1	C21 I22 H27 C31 P44 L49	C21-M29 WeakPolarHBondContact CA-O 3.41Å; I22-M29 PolarHBondContact N-O 2.95Å; H27-M29 PolarHBondContact O-N 2.85Å; M29-C31 VanDerWaalsContact CE-SG 3.56Å; M29-P44 HydrophobicContact CE-CB 3.68Å; M29-P44 HydrophobicContact CE-CG 3.54Å; M29-P44 HydrophobicContact CG-CB 4.42Å; M29-P44 HydrophobicContact SD-CB 3.7Å; M29-P44 HydrophobicContact SD-CG 4.14Å; M29-L49 HydrophobicContact SD-CD1 3.41Å; M29-L49 WeakPolarHBondContact SD-CD1 3.44Å
30	R	75.7	Confident	70.1	Confident	171 Å²	171	62.2 Å²	62.2	65%	0.645	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	128.7	169.2	-76.3	-169.7	-174.6	176.6	2	109.4	V20 N45	V20-R30 CarbonylContact O-C 3.48Å; V20-R30 VanDerWaalsContact O-CA 3.32Å; V20-R30 WeakPolarHBondContact O-CA 3.32Å; R30-N45 HydrophobicContact CB-CB 4.34Å; R30-N45 PolarHBondContact O-N 3.16Å
31	C	78.4	Confident	70.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.6	178	-55.4	0	0	0	0	110	V20 I22 M29 V42 V43	V20-C31 HydrophobicContact CG2-CB 4.18Å; V20-C31 WeakPolarHBondContact CG2-O 3.15Å; V20-C31 PolarHBondContact N-O 3.24Å; V20-C31 PolarHBondContact O-N 3.11Å; I22-C31 HydrophobicContact CD1-CB 4.07Å; M29-C31 VanDerWaalsContact CE-SG 3.56Å; C31-V42 HydrophobicContact CB-CG1 3.85Å; C31-V43 CarbonylContact C-O 3.53Å; C31-V43 WeakPolarHBondContact CA-O 3.37Å; C31-V43 WeakPolarHBondContact CB-O 3.38Å
32	T	80.6	Confident	71.5	Confident	16 Å²	16	61.1 Å²	61.1	10%	0.098	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.9	162.4	-61.1	0	0	0	0	109.9	T17 Y18 Y34 V43 N45	T17-T32 HydrophobicContact CG2-CG2 3.34Å; Y18-T32 WeakPolarHBondContact O-CA 3.45Å; T32-Y34 HydrophobicContact CG2-CD2 3.88Å; T32-Y34 HydrophobicContact CG2-CE1 4.12Å; T32-Y34 HydrophobicContact CG2-CE2 3.31Å; T32-Y34 HydrophobicContact CG2-CG 4.49Å; T32-Y34 VanDerWaalsContact CG2-CZ 3.44Å; T32-V43 PolarHBondContact N-O 3.41Å; T32-V43 PolarHBondContact O-N 3.38Å; T32-N45 PolarHBondContact N-OD1 2.8Å; T32-N45 VanDerWaalsContact N-OD1 3.15Å; T32-N45 PolarHBondContact OG1-OD1 2.91Å
33	L	81.3	Confident	72.1	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	138.5	168.8	-169.9	66.2	0	0	0	110.1	T17 Y18 L35 I40 C41 V42 I106 M121	T17-L33 WeakPolarHBondContact CA-O 3.44Å; Y18-L33 HydrophobicContact CD2-CB 4.35Å; Y18-L33 HydrophobicContact CD2-CD2 4.17Å; Y18-L33 PolarHBondContact O-N 2.91Å; L33-L35 HydrophobicContact CD2-CD2 4.41Å; L33-L35 HydrophobicContact CG-CD2 4.21Å; L33-I40 HydrophobicContact CD1-CG2 3.39Å; L33-I40 HydrophobicContact CG-CG2 4.38Å; L33-C41 CarbonylContact C-O 3.43Å; L33-V42 HydrophobicContact CD1-CG2 3.67Å; L33-I106 HydrophobicContact CD2-CD1 4.23Å; L33-M121 HydrophobicContact CD2-CE 3.51Å; L33-M121 HydrophobicContact CG-CE 4.32Å
34	Y	81.2	Confident	73	Confident	82 Å²	82	60.1 Å²	60.1	32%	0.322	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.2	173.5	-63.8	-91.7	0	0	0	109.2	C15 T32 I40 C41 V43	C15-Y34 WeakPolarHBondContact SG-CD1 3.39Å; T32-Y34 HydrophobicContact CG2-CD2 3.88Å; T32-Y34 HydrophobicContact CG2-CE1 4.12Å; T32-Y34 HydrophobicContact CG2-CE2 3.31Å; T32-Y34 HydrophobicContact CG2-CG 4.49Å; T32-Y34 VanDerWaalsContact CG2-CZ 3.44Å; Y34-I40 WeakPolarHBondContact O-CA 3.48Å; Y34-C41 PolarHBondContact N-O 3.19Å; Y34-C41 PolarHBondContact O-N 2.91Å; Y34-V43 HydrophobicContact CD2-CB 4.41Å; Y34-V43 HydrophobicContact CD2-CG2 3.71Å; Y34-V43 HydrophobicContact CE2-CB 3.88Å; Y34-V43 HydrophobicContact CE2-CG2 3.46Å; Y34-V43 VanDerWaalsContact CE2-CG2 3.46Å
35	L	80.3	Confident	74	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.8	172.2	-43.5	178	0	0	0	108.8	V14 L33 I40 A120 M121	V14-L35 CarbonylContact C-O 3.56Å; V14-L35 CarbonylContact O-C 3.54Å; V14-L35 WeakPolarHBondContact O-CB 3.33Å; L33-L35 HydrophobicContact CD2-CD2 4.41Å; L33-L35 HydrophobicContact CG-CD2 4.21Å; L35-I40 HydrophobicContact CD2-CB 4.31Å; L35-I40 HydrophobicContact CD2-CD1 4.18Å; L35-I40 HydrophobicContact CD2-CG1 3.73Å; L35-I40 HydrophobicContact CD2-CG2 4.01Å; L35-A120 HydrophobicContact CD1-CB 3.85Å; L35-M121 HydrophobicContact CD1-CE 3.77Å; L35-M121 HydrophobicContact CD1-SD 4.03Å; L35-M121 HydrophobicContact CD2-CE 3.09Å; L35-M121 HydrophobicContact CD2-SD 3.76Å; L35-M121 HydrophobicContact CG-CE 4.02Å
36	N	75	Confident	74.8	Confident	48 Å²	48	60.4 Å²	60.4	26%	0.257	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	169.2	175.1	65.9	36.4	0	0	0	110.3	L38 G39 F124	N36-L38 PolarHBondContact O-N 3.15Å; N36-L38 WeakPolarHBondContact OD1-CB 3.36Å; N36-L38 PolarHBondContact OD1-N 3.48Å; N36-G39 PolarHBondContact N-O 3.1Å; N36-G39 PolarHBondContact O-N 2.88Å; N36-G39 VanDerWaalsContact O-O 3.1Å; N36-G39 PolarHBondContact OD1-N 2.84Å; N36-G39 PolarHBondContact OD1-O 3.34Å; N36-F124 WeakPolarHBondContact O-CE2 3.31Å; N36-F124 VanDerWaalsContact O-CZ 3.32Å; N36-F124 WeakPolarHBondContact O-CZ 3.43Å
37	E	71.9	Confident	75.1	Confident	107 Å²	107	61.9 Å²	61.9	50%	0.5	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-18.1	-176.3	-62.4	-172.4	174.1	0	0	115.8	P12 K57	P12-E37 VanDerWaalsContact CB-OE1 3.22Å; P12-E37 WeakPolarHBondContact CB-OE1 3.46Å; P12-E37 WeakPolarHBondContact O-CG 3.39Å; E37-K57 WeakPolarHBondContact O-CD 3.48Å; E37-K57 WeakPolarHBondContact O-CE 3.35Å; E37-K57 PolarHBondContact O-NZ 3.18Å
38	L	73.2	Confident	75.2	Confident	106 Å²	106	58.8 Å²	58.8	56%	0.555	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-27.8	179.6	-62.1	174.6	0	0	0	112.1	N36 Y54 K57	N36-L38 PolarHBondContact O-N 3.15Å; N36-L38 WeakPolarHBondContact OD1-CB 3.36Å; N36-L38 PolarHBondContact OD1-N 3.48Å; L38-Y54 WeakPolarHBondContact CA-OH 3.47Å; L38-Y54 WeakPolarHBondContact CB-OH 3.49Å; L38-Y54 PolarHBondContact O-OH 2.93Å; L38-Y54 VanDerWaalsContact O-OH 3.09Å; L38-K57 WeakPolarHBondContact O-CB 3.4Å; L38-K57 PolarHBondContact O-N 2.91Å
39	G	81.6	Confident	74.8	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.5	-155.8	-172.8	0	0	0	0	0	114.8	N36 Y54 I55	N36-G39 PolarHBondContact N-O 3.1Å; N36-G39 PolarHBondContact O-N 2.88Å; N36-G39 VanDerWaalsContact O-O 3.1Å; N36-G39 PolarHBondContact OD1-N 2.84Å; N36-G39 PolarHBondContact OD1-O 3.34Å; G39-Y54 WeakPolarHBondContact CA-OH 3.34Å; G39-Y54 PolarHBondContact N-OH 3.14Å; G39-Y54 VanDerWaalsContact N-OH 3.13Å; G39-I55 CarbonylContact C-O 3.52Å; G39-I55 VanDerWaalsContact CA-O 3.31Å; G39-I55 WeakPolarHBondContact CA-O 3.4Å
40	I	83.9	Confident	73.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.9	-175.1	-59.2	-180	0	0	0	108.8	L33 Y34 L35 Y54 I55 I60 M81 M121 F124	L33-I40 HydrophobicContact CD1-CG2 3.39Å; L33-I40 HydrophobicContact CG-CG2 4.38Å; Y34-I40 WeakPolarHBondContact O-CA 3.48Å; L35-I40 HydrophobicContact CD2-CB 4.31Å; L35-I40 HydrophobicContact CD2-CD1 4.18Å; L35-I40 HydrophobicContact CD2-CG1 3.73Å; L35-I40 HydrophobicContact CD2-CG2 4.01Å; I40-Y54 CarbonylContact O-C 3.57Å; I40-Y54 WeakPolarHBondContact O-CA 3.3Å; I40-I55 HydrophobicContact CB-CB 4.44Å; I40-I55 PolarHBondContact N-O 3.18Å; I40-I55 PolarHBondContact O-N 2.92Å; I40-I60 HydrophobicContact CD1-CD1 3.43Å; I40-I60 VanDerWaalsContact CD1-CD1 3.43Å; I40-I60 HydrophobicContact CD1-CG1 4.28Å; I40-I60 HydrophobicContact CG1-CD1 3.77Å; I40-M81 HydrophobicContact CD1-CE 3.36Å; I40-M81 HydrophobicContact CD1-SD 3.51Å; I40-M81 VanDerWaalsContact CD1-SD 3.51Å; I40-M121 HydrophobicContact CD1-CE 3.9Å; I40-M121 HydrophobicContact CD1-SD 3.54Å; I40-M121 VanDerWaalsContact CD1-SD 3.54Å; I40-M121 HydrophobicContact CG1-SD 4.44Å; I40-F124 HydrophobicContact CG1-CE1 4.29Å
41	C	82.8	Confident	73.6	Confident	6 Å²	6	60.6 Å²	60.6	4%	0.041	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.3	174.3	-171.6	0	0	0	0	110	L33 Y34 M53 Y54	L33-C41 CarbonylContact C-O 3.43Å; Y34-C41 PolarHBondContact N-O 3.19Å; Y34-C41 PolarHBondContact O-N 2.91Å; C41-M53 CarbonylContact C-O 3.52Å; C41-M53 WeakPolarHBondContact CA-O 3.45Å; C41-Y54 HydrophobicContact CB-CD2 3.9Å; C41-Y54 HydrophobicContact CB-CE2 4.42Å
42	V	80.8	Confident	73.4	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.03	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.3	177.9	170.6	0	0	0	0	107.7	I22 C31 L33 K52 M53 L104	I22-V42 HydrophobicContact CD1-CB 4.27Å; I22-V42 HydrophobicContact CD1-CG1 3.14Å; I22-V42 HydrophobicContact CD1-CG2 4.18Å; C31-V42 HydrophobicContact CB-CG1 3.85Å; L33-V42 HydrophobicContact CD1-CG2 3.67Å; V42-K52 CarbonylContact O-C 3.54Å; V42-K52 WeakPolarHBondContact O-CA 3.49Å; V42-M53 HydrophobicContact CB-CB 4.16Å; V42-M53 HydrophobicContact CB-CE 4Å; V42-M53 HydrophobicContact CG1-CE 4.34Å; V42-M53 HydrophobicContact CG2-CE 3.68Å; V42-M53 PolarHBondContact N-O 2.8Å; V42-M53 PolarHBondContact O-N 2.71Å; V42-L104 HydrophobicContact CG2-CD2 4.28Å
43	V	80.5	Confident	73.3	Confident	28 Å²	28	66.7 Å²	66.7	17%	0.17	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	117.9	-177.9	-178.6	0	0	0	0	109.4	C31 T32 Y34 K52	C31-V43 CarbonylContact C-O 3.53Å; C31-V43 WeakPolarHBondContact CA-O 3.37Å; C31-V43 WeakPolarHBondContact CB-O 3.38Å; T32-V43 PolarHBondContact N-O 3.41Å; T32-V43 PolarHBondContact O-N 3.38Å; Y34-V43 HydrophobicContact CD2-CB 4.41Å; Y34-V43 HydrophobicContact CD2-CG2 3.71Å; Y34-V43 HydrophobicContact CE2-CB 3.88Å; Y34-V43 HydrophobicContact CE2-CG2 3.46Å; Y34-V43 VanDerWaalsContact CE2-CG2 3.46Å; V43-K52 HydrophobicContact CG1-CG 4.28Å; V43-K52 HydrophobicContact CG2-CD 3.98Å; V43-K52 HydrophobicContact CG2-CG 4.05Å
44	P	78.1	Confident	73.3	Confident	16 Å²	16	69.2 Å²	69.2	10%	0.104	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	137.5	171.3	-22.3	33.4	0	0	0	112	M29 H46	M29-P44 HydrophobicContact CE-CB 3.68Å; M29-P44 HydrophobicContact CE-CG 3.54Å; M29-P44 HydrophobicContact CG-CB 4.42Å; M29-P44 HydrophobicContact SD-CB 3.7Å; M29-P44 HydrophobicContact SD-CG 4.14Å; P44-H46 PolarHBondContact O-N 2.8Å
45	N	75	Confident	73.4	Confident	66 Å²	66	65.5 Å²	65.5	35%	0.353	33%	0.331	S	S	.	.	S	Bend	trans	-75.2	-5.2	177.8	-66.4	5.8	0	0	0	112.8	D19 R30 T32	D19-N45 PolarHBondContact OD1-ND2 3.08Å; R30-N45 HydrophobicContact CB-CB 4.34Å; R30-N45 PolarHBondContact O-N 3.16Å; T32-N45 PolarHBondContact N-OD1 2.8Å; T32-N45 VanDerWaalsContact N-OD1 3.15Å; T32-N45 PolarHBondContact OG1-OD1 2.91Å
46	H	68.6	Low	73.6	Confident	124 Å²	124	66.6 Å²	66.6	57%	0.574	34%	0.336	S	S	*	.			trans	-99.1	111.2	-179.1	-142.4	-79.1	0	0	0	110.6	P44 S48 L49	P44-H46 PolarHBondContact O-N 2.8Å; H46-S48 PolarHBondContact ND1-OG 3.45Å; H46-S48 PolarHBondContact O-N 2.93Å; H46-L49 PolarHBondContact O-N 3.4Å; H46-L49 VanDerWaalsContact O-N 3.11Å
47	Y	58.1	Low	73.9	Confident	241 Å²	241	66.9 Å²	66.9	95%	0.945	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-20.5	-177.1	-70.2	-83.2	0	0	0	115
48	S	60.3	Low	74.4	Confident	86 Å²	86	62.4 Å²	62.4	60%	0.601	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-6.2	-178.5	62.5	0	0	0	0	114.9	H46	H46-S48 PolarHBondContact ND1-OG 3.45Å; H46-S48 PolarHBondContact O-N 2.93Å
49	L	53.5	Low	75.1	Confident	93 Å²	93	58.3 Å²	58.3	49%	0.487	29%	0.294	S	S	.	.			trans	-109.4	106.1	179	-74.1	166	0	0	0	109.9	M29 H46 N51	M29-L49 HydrophobicContact SD-CD1 3.41Å; M29-L49 WeakPolarHBondContact SD-CD1 3.44Å; H46-L49 PolarHBondContact O-N 3.4Å; H46-L49 VanDerWaalsContact O-N 3.11Å; L49-N51 PolarHBondContact O-N 3.38Å
50	P	52	Low	75.4	Confident	112 Å²	112	58.7 Å²	58.7	73%	0.727	30%	0.295	S	S	*	.			trans	-73.2	-7	-171.2	25.9	-32.9	0	0	0	115.3	K52	P50-K52 PolarHBondContact O-N 2.77Å; P50-K52 VanDerWaalsContact O-N 3.14Å
51	N	68.7	Low	75.6	Confident	132 Å²	132	58.8 Å²	58.8	71%	0.706	30%	0.296	S	S	*	.			trans	-94.7	80.9	-166.6	-66.4	-9.7	0	0	0	111.9	L49 M53	L49-N51 PolarHBondContact O-N 3.38Å; N51-M53 PolarHBondContact O-N 2.79Å
52	K	73.6	Confident	75.9	Confident	87 Å²	87	59.1 Å²	59.1	38%	0.378	30%	0.3	S	S	.	.			trans	-53.7	133.1	155	-59.8	-176.7	-173.9	-178.1	0	108	V42 V43 P50 E285	V42-K52 CarbonylContact O-C 3.54Å; V42-K52 WeakPolarHBondContact O-CA 3.49Å; V43-K52 HydrophobicContact CG1-CG 4.28Å; V43-K52 HydrophobicContact CG2-CD 3.98Å; V43-K52 HydrophobicContact CG2-CG 4.05Å; P50-K52 PolarHBondContact O-N 2.77Å; P50-K52 VanDerWaalsContact O-N 3.14Å; K52-E285 IonicContact NZ-OE1 3.26Å; K52-E285 PolarHBondContact NZ-OE1 2.83Å; K52-E285 IonicContact NZ-OE2 2.69Å; K52-E285 PolarHBondContact NZ-OE2 2.82Å
53	M	79	Confident	76.2	Confident	57 Å²	57	60.3 Å²	60.3	28%	0.281	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.9	174.7	177.7	-177.9	71.3	0	0	108.8	C41 V42 N51 I55 L104	C41-M53 CarbonylContact C-O 3.52Å; C41-M53 WeakPolarHBondContact CA-O 3.45Å; V42-M53 HydrophobicContact CB-CB 4.16Å; V42-M53 HydrophobicContact CB-CE 4Å; V42-M53 HydrophobicContact CG1-CE 4.34Å; V42-M53 HydrophobicContact CG2-CE 3.68Å; V42-M53 PolarHBondContact N-O 2.8Å; V42-M53 PolarHBondContact O-N 2.71Å; N51-M53 PolarHBondContact O-N 2.79Å; M53-I55 HydrophobicContact CE-CD1 4.08Å; M53-L104 HydrophobicContact CE-CD1 3.7Å; M53-L104 HydrophobicContact CE-CD2 3.54Å; M53-L104 HydrophobicContact CE-CG 4.24Å
54	Y	80.8	Confident	76.7	Confident	54 Å²	54	64.6 Å²	64.6	21%	0.212	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.9	178.9	-174.8	-84	0	0	0	110.3	L38 G39 I40 C41 H56 Y287 C289	L38-Y54 WeakPolarHBondContact CA-OH 3.47Å; L38-Y54 WeakPolarHBondContact CB-OH 3.49Å; L38-Y54 PolarHBondContact O-OH 2.93Å; L38-Y54 VanDerWaalsContact O-OH 3.09Å; G39-Y54 WeakPolarHBondContact CA-OH 3.34Å; G39-Y54 PolarHBondContact N-OH 3.14Å; G39-Y54 VanDerWaalsContact N-OH 3.13Å; I40-Y54 CarbonylContact O-C 3.57Å; I40-Y54 WeakPolarHBondContact O-CA 3.3Å; C41-Y54 HydrophobicContact CB-CD2 3.9Å; C41-Y54 HydrophobicContact CB-CE2 4.42Å; Y54-H56 HydrophobicContact CE1-CB 4.04Å; Y54-Y287 HydrophobicContact CD2-CD1 4.41Å; Y54-C289 HydrophobicContact CD1-CB 3.97Å; Y54-C289 VanDerWaalsContact CD1-SG 3.57Å; Y54-C289 HydrophobicContact CE1-CB 3.96Å; Y54-C289 WeakPolarHBondContact CE1-SG 3.41Å
55	I	84.4	Confident	77.2	Confident	3 Å²	3	67.6 Å²	67.6	2%	0.015	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	111	176.5	-54.9	172.4	0	0	0	107.6	G39 I40 M53 L59 I60 M81 Y83 L104	G39-I55 CarbonylContact C-O 3.52Å; G39-I55 VanDerWaalsContact CA-O 3.31Å; G39-I55 WeakPolarHBondContact CA-O 3.4Å; I40-I55 HydrophobicContact CB-CB 4.44Å; I40-I55 PolarHBondContact N-O 3.18Å; I40-I55 PolarHBondContact O-N 2.92Å; M53-I55 HydrophobicContact CE-CD1 4.08Å; I55-L59 HydrophobicContact CG2-CB 4.25Å; I55-I60 HydrophobicContact CG2-CG1 3.96Å; I55-M81 HydrophobicContact CD1-SD 4.32Å; I55-Y83 HydrophobicContact CD1-CD1 3.95Å; I55-Y83 HydrophobicContact CD1-CD2 3.99Å; I55-Y83 HydrophobicContact CD1-CE1 3.89Å; I55-Y83 HydrophobicContact CD1-CE2 3.91Å; I55-Y83 HydrophobicContact CD1-CG 4Å; I55-Y83 HydrophobicContact CG1-CD2 4.14Å; I55-Y83 HydrophobicContact CG1-CE2 4.03Å; I55-Y83 HydrophobicContact CG2-CD2 3.77Å; I55-Y83 HydrophobicContact CG2-CE2 4.48Å; I55-Y83 HydrophobicContact CG2-CG 4.01Å; I55-L104 HydrophobicContact CD1-CD2 4.18Å
56	H	83.8	Confident	77.7	Confident	27 Å²	27	68.2 Å²	68.2	13%	0.125	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	144.4	176.9	-173.1	-80.8	0	0	0	110.9	Y54 N58 L59 L291	Y54-H56 HydrophobicContact CE1-CB 4.04Å; H56-N58 VanDerWaalsContact C-N 3.32Å; H56-N58 PolarHBondContact CE1-ND2 2.82Å; H56-N58 PolarHBondContact ND1-N 3.25Å; H56-N58 VanDerWaalsContact ND1-N 3.16Å; H56-N58 PolarHBondContact O-N 2.76Å; H56-L59 HydrophobicContact CB-CD1 4.12Å; H56-L59 HydrophobicContact CB-CG 4.29Å; H56-L59 WeakPolarHBondContact O-CB 3.38Å; H56-L59 PolarHBondContact O-N 3.19Å; H56-L291 HydrophobicContact CB-CD2 4.4Å
57	K	81.5	Confident	78.4	Confident	54 Å²	54	67.5 Å²	67.5	24%	0.235	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-54.4	-43.3	-175.1	74.7	-169.1	-178.9	178.3	0	114.2	E37 L38 L59 I60 F124 A128	E37-K57 WeakPolarHBondContact O-CD 3.48Å; E37-K57 WeakPolarHBondContact O-CE 3.35Å; E37-K57 PolarHBondContact O-NZ 3.18Å; L38-K57 WeakPolarHBondContact O-CB 3.4Å; L38-K57 PolarHBondContact O-N 2.91Å; K57-L59 PolarHBondContact O-N 2.79Å; K57-I60 WeakPolarHBondContact O-CB 3.38Å; K57-I60 PolarHBondContact O-N 3.48Å; K57-F124 HydrophobicContact CB-CE1 3.92Å; K57-F124 HydrophobicContact CB-CZ 3.59Å; K57-F124 HydrophobicContact CD-CZ 4.47Å; K57-A128 HydrophobicContact CB-CB 4.31Å; K57-A128 HydrophobicContact CD-CB 3.92Å; K57-A128 HydrophobicContact CG-CB 4.38Å
58	N	82.3	Confident	79.2	Confident	14 Å²	14	58.9 Å²	58.9	8%	0.075	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-67.7	-6.1	177.9	-55.9	-15.7	0	0	0	114.4	H56 M164 L267 P268 L291	H56-N58 VanDerWaalsContact C-N 3.32Å; H56-N58 PolarHBondContact CE1-ND2 2.82Å; H56-N58 PolarHBondContact ND1-N 3.25Å; H56-N58 VanDerWaalsContact ND1-N 3.16Å; H56-N58 PolarHBondContact O-N 2.76Å; N58-M164 WeakPolarHBondContact O-CE 3.5Å; N58-L267 HydrophobicContact CB-CD2 4.2Å; N58-P268 WeakPolarHBondContact ND2-CD 3.06Å; N58-L291 HydrophobicContact CB-CD2 4.04Å
59	L	87.2	Confident	79.5	Confident	20 Å²	20	60.4 Å²	60.4	11%	0.105	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-93.7	-13.5	172.2	-61.7	174.5	0	0	0	112.1	I55 H56 K57 I61 Y83 F84 F263 L291 P292	I55-L59 HydrophobicContact CG2-CB 4.25Å; H56-L59 HydrophobicContact CB-CD1 4.12Å; H56-L59 HydrophobicContact CB-CG 4.29Å; H56-L59 WeakPolarHBondContact O-CB 3.38Å; H56-L59 PolarHBondContact O-N 3.19Å; K57-L59 PolarHBondContact O-N 2.79Å; L59-I61 PolarHBondContact O-N 2.87Å; L59-Y83 CarbonylContact O-C 3.45Å; L59-Y83 WeakPolarHBondContact O-CA 3.27Å; L59-Y83 WeakPolarHBondContact O-CB 3.2Å; L59-F84 HydrophobicContact CB-CB 4.38Å; L59-F84 HydrophobicContact CD2-CB 3.98Å; L59-F84 PolarHBondContact O-N 3.42Å; L59-F263 HydrophobicContact CD2-CE2 3.71Å; L59-F263 HydrophobicContact CD2-CZ 3.5Å; L59-F263 VanDerWaalsContact CD2-CZ 3.5Å; L59-L291 HydrophobicContact CD2-CD2 4.49Å; L59-L291 HydrophobicContact CG-CD2 4.41Å; L59-P292 HydrophobicContact CD2-CG 4.09Å
60	I	88	Confident	79.8	Confident	7 Å²	7	60.3 Å²	60.3	4%	0.036	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	125.2	-178	-59.3	167.6	0	0	0	108.5	I40 I55 K57 F124 V125 M164	I40-I60 HydrophobicContact CD1-CD1 3.43Å; I40-I60 VanDerWaalsContact CD1-CD1 3.43Å; I40-I60 HydrophobicContact CD1-CG1 4.28Å; I40-I60 HydrophobicContact CG1-CD1 3.77Å; I55-I60 HydrophobicContact CG2-CG1 3.96Å; K57-I60 WeakPolarHBondContact O-CB 3.38Å; K57-I60 PolarHBondContact O-N 3.48Å; I60-F124 HydrophobicContact CD1-CD1 4.31Å; I60-F124 HydrophobicContact CD1-CE1 3.66Å; I60-V125 HydrophobicContact CG2-CG2 4.32Å; I60-M164 WeakPolarHBondContact O-CE 3.36Å
61	I	89.3	Confident	80.2	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-47.1	177.7	-61.7	163.5	0	0	0	109.5	L59 S82 F84 E101 I160 Q163 M164	L59-I61 PolarHBondContact O-N 2.87Å; I61-S82 WeakPolarHBondContact CB-O 3.46Å; I61-S82 PolarHBondContact N-O 3.14Å; I61-F84 HydrophobicContact CD1-CD1 4.08Å; I61-F84 HydrophobicContact CD1-CD2 3.92Å; I61-F84 HydrophobicContact CD1-CE1 3.97Å; I61-F84 HydrophobicContact CD1-CE2 3.81Å; I61-F84 HydrophobicContact CD1-CG 4.08Å; I61-F84 HydrophobicContact CD1-CZ 3.85Å; I61-F84 HydrophobicContact CG1-CD2 3.72Å; I61-F84 HydrophobicContact CG1-CE2 3.58Å; I61-F84 HydrophobicContact CG1-CG 4.35Å; I61-F84 HydrophobicContact CG1-CZ 4.1Å; I61-E101 HydrophobicContact CD1-CB 4.22Å; I61-E101 HydrophobicContact CD1-CG 3.74Å; I61-I160 HydrophobicContact CG1-CG2 4.49Å; I61-I160 HydrophobicContact CG2-CG2 4.23Å; I61-Q163 HydrophobicContact CG2-CB 4.08Å; I61-Q163 CarbonylContact O-C 3.58Å; I61-Q163 VanDerWaalsContact O-CB 3.27Å; I61-Q163 WeakPolarHBondContact O-CB 2.82Å; I61-M164 HydrophobicContact CG1-SD 4.45Å
62	G	88.1	Confident	79.7	Confident	13 Å²	13	65.7 Å²	65.7	13%	0.134	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.2	171.7	-179.1	0	0	0	0	0	112.9	S82	G62-S82 PolarHBondContact N-O 2.61Å; G62-S82 PolarHBondContact O-N 3.12Å
63	C	88.3	Confident	78.9	Confident	31 Å²	31	71.2 Å²	71.2	21%	0.209	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.2	177.6	-162.8	0	0	0	0	109.9	K80 M118	C63-K80 WeakPolarHBondContact CA-O 3.5Å; C63-M118 HydrophobicContact CB-CE 4.15Å; C63-M118 HydrophobicContact CB-SD 4.12Å; C63-M118 PolarHBondContact SG-SD 2.88Å
64	K	89.2	Confident	78.2	Confident	117 Å²	117	75.4 Å²	75.4	51%	0.509	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.5	177.9	-66.6	-177.7	-177.3	175.6	0	110.8	L79 K80	K64-L79 CarbonylContact O-C 3.58Å; K64-L79 WeakPolarHBondContact O-CA 3.49Å; K64-K80 PolarHBondContact N-O 3.49Å; K64-K80 PolarHBondContact O-N 2.92Å
65	K	88.8	Confident	77.6	Confident	80 Å²	80	79.1 Å²	79.1	35%	0.348	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	125.7	171.9	-173.1	179.3	178.3	-168.9	0	110	V77 L79 D111 S115 M118	K65-V77 HydrophobicContact CD-CG1 4.33Å; K65-V77 VanDerWaalsContact CE-CG1 3.46Å; K65-V77 HydrophobicContact CG-CG1 3.97Å; K65-L79 HydrophobicContact CB-CD2 3.7Å; K65-L79 HydrophobicContact CD-CD2 4.49Å; K65-L79 HydrophobicContact CG-CD2 3.72Å; K65-D111 WeakPolarHBondContact CE-OD1 3.38Å; K65-D111 IonicContact NZ-OD1 3.84Å; K65-D111 PolarHBondContact NZ-OD1 2.86Å; K65-D111 IonicContact NZ-OD2 3.43Å; K65-D111 PolarHBondContact NZ-OD2 3.24Å; K65-S115 PolarHBondContact NZ-OG 3.25Å; K65-M118 HydrophobicContact CB-CG 4.19Å
66	E	87.3	Confident	77.2	Confident	78 Å²	78	80.4 Å²	80.4	36%	0.364	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.6	178.7	-65.6	-177.1	178.9	0	0	110.2	C78	E66-C78 PolarHBondContact N-O 3.39Å; E66-C78 PolarHBondContact O-N 2.78Å
67	I	81.4	Confident	77.2	Confident	110 Å²	110	79.8 Å²	79.8	56%	0.564	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.5	173.8	-60.1	174.5	0	0	0	108.1	Q75	I67-Q75 HydrophobicContact CG2-CB 4.21Å; I67-Q75 HydrophobicContact CG2-CG 4.26Å
68	I	76.2	Confident	77.4	Confident	59 Å²	59	77.2 Å²	77.2	30%	0.303	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.6	179	-56.6	-179.3	0	0	0	109.7	N76 C78 L107	I68-N76 PolarHBondContact N-O 3.35Å; I68-N76 PolarHBondContact O-N 3.02Å; I68-C78 HydrophobicContact CD1-CB 3.43Å; I68-C78 VanDerWaalsContact CD1-CB 3.43Å; I68-C78 VanDerWaalsContact CD1-SG 3.6Å; I68-C78 HydrophobicContact CG1-CB 3.74Å; I68-L107 HydrophobicContact CD1-CD2 4.25Å
69	L	66	Low	77.7	Confident	119 Å²	119	76.6 Å²	76.6	62%	0.623	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	113.3	172.7	-75.2	158.6	0	0	0	110.1	Q75	L69-Q75 HydrophobicContact CD2-CG 3.64Å; L69-Q75 HydrophobicContact CG-CG 4.5Å
70	K	59.6	Low	77.8	Confident	91 Å²	91	78.6 Å²	78.6	40%	0.396	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.8	170.3	-152.4	176	-177.4	-178.3	0	110.2	Q28 K72 K74	Q28-K70 VanDerWaalsContact CD-NZ 3.25Å; K70-K72 PolarHBondContact O-N 3.47Å; K70-K74 PolarHBondContact N-O 2.88Å; K70-K74 PolarHBondContact O-N 3.32Å; K70-K74 VanDerWaalsContact O-N 3.12Å
71	N	60.8	Low	77.8	Confident	151 Å²	151	78.3 Å²	78.3	81%	0.807	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	49.8	175.8	-68.5	-4.6	0	0	0	115.1	K73	N71-K73 PolarHBondContact O-N 2.7Å
72	K	58.7	Low	77.9	Confident	206 Å²	206	78.8 Å²	78.8	90%	0.896	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	-7	175.2	-64.5	-173.1	176.7	-177.8	0	117.5	K70	K70-K72 PolarHBondContact O-N 3.47Å
73	K	57.1	Low	77.9	Confident	202 Å²	202	79.3 Å²	79.3	88%	0.878	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	-26.2	-174.1	-71.4	-171.1	178	-177.3	0	115.3	N71	N71-K73 PolarHBondContact O-N 2.7Å
74	K	64.4	Low	78	Confident	145 Å²	145	78.2 Å²	78.2	63%	0.63	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	110.5	-177.2	-165	172.2	-179.6	174.1	0	110	K70	K70-K74 PolarHBondContact N-O 2.88Å; K70-K74 PolarHBondContact O-N 3.32Å; K70-K74 VanDerWaalsContact O-N 3.12Å
75	Q	67.8	Low	77.8	Confident	133 Å²	133	77.8 Å²	77.8	62%	0.621	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	122.3	168.5	-70.1	177.5	2	0	0	108	I67 L69	I67-Q75 HydrophobicContact CG2-CB 4.21Å; I67-Q75 HydrophobicContact CG2-CG 4.26Å; L69-Q75 HydrophobicContact CD2-CG 3.64Å; L69-Q75 HydrophobicContact CG-CG 4.5Å
76	N	75.8	Confident	77.7	Confident	29 Å²	29	76 Å²	76	16%	0.155	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140.9	165.1	-74.4	0.7	0	0	0	107.8	I68 L107	I68-N76 PolarHBondContact N-O 3.35Å; I68-N76 PolarHBondContact O-N 3.02Å; N76-L107 HydrophobicContact CB-CD2 4.13Å
77	V	83.7	Confident	77.6	Confident	15 Å²	15	78.6 Å²	78.6	9%	0.091	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.5	172	-173.1	0	0	0	0	107.9	K65 F108 D111 A114	K65-V77 HydrophobicContact CD-CG1 4.33Å; K65-V77 VanDerWaalsContact CE-CG1 3.46Å; K65-V77 HydrophobicContact CG-CG1 3.97Å; V77-F108 PolarHBondContact O-N 2.72Å; V77-D111 HydrophobicContact CG2-CB 3.95Å; V77-D111 WeakPolarHBondContact CG2-OD1 3.18Å; V77-A114 HydrophobicContact CB-CB 3.98Å; V77-A114 HydrophobicContact CG1-CB 3.37Å
78	C	86.4	Confident	77.8	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.7	-176.6	-171.7	0	0	0	0	109.6	E66 I68 I106 L107	E66-C78 PolarHBondContact N-O 3.39Å; E66-C78 PolarHBondContact O-N 2.78Å; I68-C78 HydrophobicContact CD1-CB 3.43Å; I68-C78 VanDerWaalsContact CD1-CB 3.43Å; I68-C78 VanDerWaalsContact CD1-SG 3.6Å; I68-C78 HydrophobicContact CG1-CB 3.74Å; C78-I106 CarbonylContact C-O 3.39Å; C78-I106 VanDerWaalsContact CA-O 3.31Å; C78-I106 WeakPolarHBondContact CA-O 3.3Å; C78-L107 HydrophobicContact CB-CD2 3.93Å
79	L	88.4	Confident	78.1	Confident	1 Å²	1	79.3 Å²	79.3	1%	0.005	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.5	162.8	-55.1	-174.2	0	0	0	108.3	K64 K65 I106 F108 A114 C117 M118	K64-L79 CarbonylContact O-C 3.58Å; K64-L79 WeakPolarHBondContact O-CA 3.49Å; K65-L79 HydrophobicContact CB-CD2 3.7Å; K65-L79 HydrophobicContact CD-CD2 4.49Å; K65-L79 HydrophobicContact CG-CD2 3.72Å; L79-I106 HydrophobicContact CB-CB 4.32Å; L79-I106 PolarHBondContact N-O 3.36Å; L79-I106 PolarHBondContact O-N 2.94Å; L79-F108 HydrophobicContact CB-CE2 3.93Å; L79-F108 HydrophobicContact CD1-CD2 4.35Å; L79-F108 HydrophobicContact CD1-CE2 3.45Å; L79-F108 VanDerWaalsContact CD1-CE2 3.45Å; L79-F108 HydrophobicContact CD1-CZ 3.65Å; L79-F108 HydrophobicContact CG-CD2 3.94Å; L79-F108 HydrophobicContact CG-CE2 3.36Å; L79-F108 HydrophobicContact CG-CZ 4.11Å; L79-A114 HydrophobicContact CD2-CB 4.2Å; L79-A114 HydrophobicContact CG-CB 4.49Å; L79-C117 HydrophobicContact CD1-CB 3.79Å; L79-M118 HydrophobicContact CB-SD 4.35Å; L79-M118 HydrophobicContact CD1-CG 3.65Å; L79-M118 HydrophobicContact CD1-SD 3.74Å; L79-M118 HydrophobicContact CD2-CG 3.26Å; L79-M118 HydrophobicContact CD2-SD 3.49Å; L79-M118 WeakPolarHBondContact CD2-SD 3.17Å; L79-M118 HydrophobicContact CG-CG 4.03Å; L79-M118 HydrophobicContact CG-SD 4.02Å
80	K	88.7	Confident	78.5	Confident	61 Å²	61	80.9 Å²	80.9	27%	0.265	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	111.9	175	-177.3	171.9	-176	177.8	0	108.6	C63 K64 N103 D105	C63-K80 WeakPolarHBondContact CA-O 3.5Å; K64-K80 PolarHBondContact N-O 3.49Å; K64-K80 PolarHBondContact O-N 2.92Å; K80-N103 WeakPolarHBondContact CE-ND2 3.31Å; K80-N103 HydrophobicContact CG-CB 4.16Å; K80-D105 WeakPolarHBondContact CG-OD1 3.44Å
81	M	88.1	Confident	78.8	Confident	1 Å²	1	80.7 Å²	80.7	1%	0.005	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117	180	179.3	-173.7	-64.1	0	0	109.9	I40 I55 N103 L104 I106 M121	I40-M81 HydrophobicContact CD1-CE 3.36Å; I40-M81 HydrophobicContact CD1-SD 3.51Å; I40-M81 VanDerWaalsContact CD1-SD 3.51Å; I55-M81 HydrophobicContact CD1-SD 4.32Å; M81-N103 CarbonylContact O-C 3.56Å; M81-N103 VanDerWaalsContact O-CA 3.3Å; M81-N103 WeakPolarHBondContact O-CA 3.4Å; M81-L104 HydrophobicContact CB-CB 4.29Å; M81-L104 PolarHBondContact N-O 3.37Å; M81-L104 PolarHBondContact O-N 3.09Å; M81-L104 HydrophobicContact SD-CD2 4.4Å; M81-I106 HydrophobicContact CE-CD1 3.87Å; M81-M121 HydrophobicContact CE-CE 3.53Å; M81-M121 HydrophobicContact CE-SD 3.7Å
82	S	90.5	Very high	79	Confident	13 Å²	13	77.8 Å²	77.8	9%	0.091	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.9	177.2	-55.8	0	0	0	0	109.5	I61 G62 T102 N103	I61-S82 WeakPolarHBondContact CB-O 3.46Å; I61-S82 PolarHBondContact N-O 3.14Å; G62-S82 PolarHBondContact N-O 2.61Å; G62-S82 PolarHBondContact O-N 3.12Å; S82-T102 WeakPolarHBondContact CA-O 3.26Å; S82-N103 WeakPolarHBondContact CB-OD1 3.46Å; S82-N103 PolarHBondContact OG-OD1 2.81Å
83	Y	89.2	Confident	79.2	Confident	23 Å²	23	77 Å²	77	9%	0.09	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	161.4	-180	71.5	-77.8	0	0	0	111.7	I55 L59 K85 T102 L104	I55-Y83 HydrophobicContact CD1-CD1 3.95Å; I55-Y83 HydrophobicContact CD1-CD2 3.99Å; I55-Y83 HydrophobicContact CD1-CE1 3.89Å; I55-Y83 HydrophobicContact CD1-CE2 3.91Å; I55-Y83 HydrophobicContact CD1-CG 4Å; I55-Y83 HydrophobicContact CG1-CD2 4.14Å; I55-Y83 HydrophobicContact CG1-CE2 4.03Å; I55-Y83 HydrophobicContact CG2-CD2 3.77Å; I55-Y83 HydrophobicContact CG2-CE2 4.48Å; I55-Y83 HydrophobicContact CG2-CG 4.01Å; L59-Y83 CarbonylContact O-C 3.45Å; L59-Y83 WeakPolarHBondContact O-CA 3.27Å; L59-Y83 WeakPolarHBondContact O-CB 3.2Å; Y83-K85 HydrophobicContact CE2-CB 4.22Å; Y83-T102 HydrophobicContact CD1-CG2 3.9Å; Y83-T102 HydrophobicContact CD2-CG2 4.05Å; Y83-T102 HydrophobicContact CE1-CG2 3.46Å; Y83-T102 VanDerWaalsContact CE1-CG2 3.46Å; Y83-T102 HydrophobicContact CE2-CG2 3.64Å; Y83-T102 HydrophobicContact CG-CG2 4.18Å; Y83-T102 PolarHBondContact N-O 2.83Å; Y83-T102 PolarHBondContact O-N 2.85Å; Y83-L104 HydrophobicContact CD1-CB 4.41Å; Y83-L104 HydrophobicContact CE1-CB 3.9Å
84	F	89.4	Confident	79.8	Confident	8 Å²	8	70.8 Å²	70.8	4%	0.035	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.1	174.3	-73.1	-64.9	0	0	0	111.8	L59 I61 L99 I160 M164 F263	L59-F84 HydrophobicContact CB-CB 4.38Å; L59-F84 HydrophobicContact CD2-CB 3.98Å; L59-F84 PolarHBondContact O-N 3.42Å; I61-F84 HydrophobicContact CD1-CD1 4.08Å; I61-F84 HydrophobicContact CD1-CD2 3.92Å; I61-F84 HydrophobicContact CD1-CE1 3.97Å; I61-F84 HydrophobicContact CD1-CE2 3.81Å; I61-F84 HydrophobicContact CD1-CG 4.08Å; I61-F84 HydrophobicContact CD1-CZ 3.85Å; I61-F84 HydrophobicContact CG1-CD2 3.72Å; I61-F84 HydrophobicContact CG1-CE2 3.58Å; I61-F84 HydrophobicContact CG1-CG 4.35Å; I61-F84 HydrophobicContact CG1-CZ 4.1Å; F84-L99 HydrophobicContact CB-CD1 3.87Å; F84-L99 HydrophobicContact CB-CD2 4.43Å; F84-L99 HydrophobicContact CB-CG 4.18Å; F84-L99 HydrophobicContact CD1-CD1 4.33Å; F84-L99 HydrophobicContact CD1-CD2 3.54Å; F84-L99 HydrophobicContact CD1-CG 3.69Å; F84-L99 HydrophobicContact CE1-CD2 3.82Å; F84-L99 HydrophobicContact CE1-CG 4.37Å; F84-L99 HydrophobicContact CG-CD1 4.32Å; F84-L99 HydrophobicContact CG-CD2 3.98Å; F84-L99 HydrophobicContact CG-CG 4.16Å; F84-L99 HydrophobicContact CZ-CD2 4.46Å; F84-I160 HydrophobicContact CE1-CD1 4.4Å; F84-I160 HydrophobicContact CE2-CG2 4Å; F84-I160 HydrophobicContact CZ-CD1 3.97Å; F84-I160 HydrophobicContact CZ-CG2 3.78Å; F84-M164 HydrophobicContact CE2-SD 4Å; F84-F263 HydrophobicContact CB-CE2 4.36Å; F84-F263 AromaticContact CD2-CD2 3.37Å; F84-F263 HydrophobicContact CD2-CD2 3.37Å; F84-F263 AromaticContact CD2-CE2 3.72Å; F84-F263 HydrophobicContact CD2-CE2 3.72Å; F84-F263 HydrophobicContact CD2-CG 4.37Å; F84-F263 HydrophobicContact CE2-CB 4.38Å; F84-F263 AromaticContact CE2-CD2 3.53Å; F84-F263 HydrophobicContact CE2-CD2 3.53Å; F84-F263 HydrophobicContact CE2-CE2 4.29Å; F84-F263 HydrophobicContact CE2-CG 4.37Å; F84-F263 AromaticContact CG-CD2 3.95Å; F84-F263 HydrophobicContact CG-CD2 3.95Å; F84-F263 HydrophobicContact CG-CE2 4.22Å; F84-F263 HydrophobicContact CZ-CB 4.29Å; F84-F263 HydrophobicContact CZ-CD2 4.21Å
85	K	86.2	Confident	80.4	Confident	108 Å²	108	70.7 Å²	70.7	47%	0.47	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	152.5	171	-176.1	175.6	178.8	-179.2	0	109.7	Y83 L99 E100 T102	Y83-K85 HydrophobicContact CE2-CB 4.22Å; K85-L99 WeakPolarHBondContact O-CA 3.41Å; K85-E100 PolarHBondContact N-O 2.74Å; K85-E100 PolarHBondContact O-N 2.85Å; K85-T102 HydrophobicContact CB-CG2 3.66Å; K85-T102 HydrophobicContact CD-CG2 4.29Å
86	T	85.8	Confident	81.3	Confident	42 Å²	42	64.7 Å²	64.7	26%	0.258	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	142.1	169.1	53	0	0	0	0	112.4	K97 I98 L99 P292	T86-K97 HydrophobicContact CG2-CB 4.26Å; T86-K97 HydrophobicContact CG2-CD 4.3Å; T86-I98 CarbonylContact C-O 3.48Å; T86-I98 VanDerWaalsContact CA-O 3.3Å; T86-I98 WeakPolarHBondContact CA-O 3.5Å; T86-L99 HydrophobicContact CG2-CD1 3.74Å; T86-P292 HydrophobicContact CG2-CB 3.33Å; T86-P292 HydrophobicContact CG2-CG 3.73Å
87	R	86	Confident	81.9	Confident	133 Å²	133	66 Å²	66	50%	0.502	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.6	173.8	177.9	166.7	51.4	122.3	-0.3	109.4	K97 I98 E100	R87-K97 CarbonylContact O-C 3.57Å; R87-K97 VanDerWaalsContact O-CA 3.3Å; R87-K97 WeakPolarHBondContact O-CA 3.45Å; R87-I98 PolarHBondContact N-O 2.88Å; R87-I98 PolarHBondContact O-N 2.75Å; R87-E100 IonicContact CZ-OE2 2.91Å; R87-E100 IonicContact NE-OE1 2.92Å; R87-E100 IonicContact NE-OE2 3.33Å; R87-E100 PolarHBondContact NE-OE2 2.84Å; R87-E100 IonicContact NH2-OE2 2.61Å; R87-E100 PolarHBondContact NH2-OE2 3.04Å
88	K	84.8	Confident	82.2	Confident	147 Å²	147	66.8 Å²	66.8	64%	0.639	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	139.6	173.4	-70.1	-172.7	178.6	-176.1	0	109.8
89	V	82	Confident	82.3	Confident	38 Å²	38	67.2 Å²	67.2	23%	0.23	34%	0.338	C	S	.	.			trans	-94.7	113.4	174.2	-176.4	0	0	0	0	108.7	L96 I98 L252	V89-L96 PolarHBondContact N-O 2.9Å; V89-L96 VanDerWaalsContact N-O 3.09Å; V89-I98 HydrophobicContact CG2-CD1 3.57Å; V89-I98 HydrophobicContact CG2-CG1 3.54Å; V89-L252 HydrophobicContact CG1-CD2 4.39Å; V89-L252 HydrophobicContact CG2-CD2 4.03Å
90	N	75.5	Confident	82.3	Confident	151 Å²	151	70 Å²	70	81%	0.807	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	145.9	176.9	-66.1	-13.5	0	0	0	110.8
91	G	66.1	Low	82.3	Confident	87 Å²	87	72 Å²	72	90%	0.897	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	8.5	171.1	0	0	0	0	0	116.4
92	K	64.6	Low	82.3	Confident	90 Å²	90	74 Å²	74	39%	0.391	37%	0.373	S	S	.	.			trans	-104.9	147.5	168.8	-71.3	-166.1	163.8	-147.5	0	110.4	E94 L96 L252	K92-E94 PolarHBondContact O-N 2.92Å; K92-L96 HydrophobicContact CD-CD1 4.12Å; K92-L252 HydrophobicContact CD-CD1 4.19Å
93	K	62.1	Low	82.2	Confident	191 Å²	191	76 Å²	76	83%	0.83	38%	0.383	S	S	*	.	S	Bend	trans	-57.5	-29.7	172.6	-94.9	-174.6	175.3	-179.6	0	112
94	E	70.3	Confident	82	Confident	70 Å²	70	75.1 Å²	75.1	33%	0.327	38%	0.38	S	S	.	.	S	Bend	trans	-101.1	144.1	-177.9	-61.4	-172.7	150.8	0	0	112.6	K92 L96 Y247	K92-E94 PolarHBondContact O-N 2.92Å; E94-L96 HydrophobicContact CB-CD1 4.48Å; E94-L96 HydrophobicContact CB-CG 3.97Å; E94-L96 PolarHBondContact O-N 2.94Å; E94-Y247 VanDerWaalsContact CD-CZ 3.45Å; E94-Y247 PolarHBondContact OE1-OH 2.88Å; E94-Y247 WeakPolarHBondContact OE2-CE2 3.42Å; E94-Y247 PolarHBondContact OE2-OH 2.93Å; E94-Y247 VanDerWaalsContact OE2-OH 3.11Å
95	N	77.7	Confident	81.8	Confident	143 Å²	143	76.8 Å²	76.8	77%	0.765	39%	0.389	S	S	*	.			trans	-73.6	54.3	176.8	-75.7	-31.5	0	0	0	112.6
96	L	86.2	Confident	81.7	Confident	8 Å²	8	71.7 Å²	71.7	4%	0.042	37%	0.367	C	S	.	.			trans	-77	147.2	177.5	-62	177.1	0	0	0	111.5	V89 K92 E94 Y247 L252	V89-L96 PolarHBondContact N-O 2.9Å; V89-L96 VanDerWaalsContact N-O 3.09Å; K92-L96 HydrophobicContact CD-CD1 4.12Å; E94-L96 HydrophobicContact CB-CD1 4.48Å; E94-L96 HydrophobicContact CB-CG 3.97Å; E94-L96 PolarHBondContact O-N 2.94Å; L96-Y247 HydrophobicContact CD1-CD2 4.3Å; L96-Y247 HydrophobicContact CD1-CE2 4.47Å; L96-Y247 HydrophobicContact CD2-CD2 4.42Å; L96-L252 HydrophobicContact CB-CB 4.37Å; L96-L252 HydrophobicContact CD1-CD1 3.91Å
97	K	88.5	Confident	81.6	Confident	57 Å²	57	70.2 Å²	70.2	25%	0.248	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	152.6	179.9	-60.9	174	-169.5	169	0	111	T86 R87 G250 L251 L252	T86-K97 HydrophobicContact CG2-CB 4.26Å; T86-K97 HydrophobicContact CG2-CD 4.3Å; R87-K97 CarbonylContact O-C 3.57Å; R87-K97 VanDerWaalsContact O-CA 3.3Å; R87-K97 WeakPolarHBondContact O-CA 3.45Å; K97-G250 PolarHBondContact N-O 3.3Å; K97-L251 HydrophobicContact CB-CD2 4.49Å; K97-L251 CarbonylContact O-C 3.55Å; K97-L251 WeakPolarHBondContact O-CA 3.35Å; K97-L252 PolarHBondContact O-N 3.24Å
98	I	89.1	Confident	81.4	Confident	31 Å²	31	64.2 Å²	64.2	16%	0.159	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.8	165.7	-66.7	166.4	0	0	0	107.2	T86 R87 V89 L252	T86-I98 CarbonylContact C-O 3.48Å; T86-I98 VanDerWaalsContact CA-O 3.3Å; T86-I98 WeakPolarHBondContact CA-O 3.5Å; R87-I98 PolarHBondContact N-O 2.88Å; R87-I98 PolarHBondContact O-N 2.75Å; V89-I98 HydrophobicContact CG2-CD1 3.57Å; V89-I98 HydrophobicContact CG2-CG1 3.54Å; I98-L252 HydrophobicContact CD1-CD2 4.15Å; I98-L252 HydrophobicContact CG1-CB 4.16Å; I98-L252 HydrophobicContact CG1-CD2 4.12Å
99	L	89.2	Confident	81.1	Confident	8 Å²	8	61.9 Å²	61.9	4%	0.042	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	130.4	163.4	-163	79	0	0	0	109.6	F84 K85 T86 L251 H260 F263 P292	F84-L99 HydrophobicContact CB-CD1 3.87Å; F84-L99 HydrophobicContact CB-CD2 4.43Å; F84-L99 HydrophobicContact CB-CG 4.18Å; F84-L99 HydrophobicContact CD1-CD1 4.33Å; F84-L99 HydrophobicContact CD1-CD2 3.54Å; F84-L99 HydrophobicContact CD1-CG 3.69Å; F84-L99 HydrophobicContact CE1-CD2 3.82Å; F84-L99 HydrophobicContact CE1-CG 4.37Å; F84-L99 HydrophobicContact CG-CD1 4.32Å; F84-L99 HydrophobicContact CG-CD2 3.98Å; F84-L99 HydrophobicContact CG-CG 4.16Å; F84-L99 HydrophobicContact CZ-CD2 4.46Å; K85-L99 WeakPolarHBondContact O-CA 3.41Å; T86-L99 HydrophobicContact CG2-CD1 3.74Å; L99-L251 HydrophobicContact CB-CD2 4.45Å; L99-H260 VanDerWaalsContact CB-CD2 3.46Å; L99-H260 WeakPolarHBondContact CB-CD2 3.49Å; L99-H260 PolarHBondContact N-NE2 2.92Å; L99-H260 VanDerWaalsContact N-NE2 3.15Å; L99-H260 PolarHBondContact O-NE2 3.25Å; L99-F263 HydrophobicContact CD1-CD1 4.25Å; L99-F263 HydrophobicContact CD1-CE1 4.22Å; L99-F263 HydrophobicContact CD2-CB 3.3Å; L99-F263 HydrophobicContact CD2-CD1 3.45Å; L99-F263 VanDerWaalsContact CD2-CD1 3.45Å; L99-F263 HydrophobicContact CD2-CD2 3.9Å; L99-F263 HydrophobicContact CD2-CE1 4.23Å; L99-F263 HydrophobicContact CD2-CG 3.24Å; L99-F263 HydrophobicContact CG-CD1 4.48Å; L99-P292 HydrophobicContact CD1-CG 4.48Å
100	E	88.2	Confident	81.1	Confident	60 Å²	60	62.2 Å²	62.2	28%	0.28	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144.3	176.1	61	-165.7	-170.5	0	0	110.1	K85 R87	K85-E100 PolarHBondContact N-O 2.74Å; K85-E100 PolarHBondContact O-N 2.85Å; R87-E100 IonicContact CZ-OE2 2.91Å; R87-E100 IonicContact NE-OE1 2.92Å; R87-E100 IonicContact NE-OE2 3.33Å; R87-E100 PolarHBondContact NE-OE2 2.84Å; R87-E100 IonicContact NH2-OE2 2.61Å; R87-E100 PolarHBondContact NH2-OE2 3.04Å
101	E	89.2	Confident	81.5	Confident	104 Å²	104	58.6 Å²	58.6	49%	0.486	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	134.7	168.4	177.8	179.6	162.3	0	0	108.8	I61	I61-E101 HydrophobicContact CD1-CB 4.22Å; I61-E101 HydrophobicContact CD1-CG 3.74Å
102	T	88.7	Confident	82.5	Confident	41 Å²	41	60.2 Å²	60.2	25%	0.252	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	164.3	176	-168	0	0	0	0	109.9	S82 Y83 K85	S82-T102 WeakPolarHBondContact CA-O 3.26Å; Y83-T102 HydrophobicContact CD1-CG2 3.9Å; Y83-T102 HydrophobicContact CD2-CG2 4.05Å; Y83-T102 HydrophobicContact CE1-CG2 3.46Å; Y83-T102 VanDerWaalsContact CE1-CG2 3.46Å; Y83-T102 HydrophobicContact CE2-CG2 3.64Å; Y83-T102 HydrophobicContact CG-CG2 4.18Å; Y83-T102 PolarHBondContact N-O 2.83Å; Y83-T102 PolarHBondContact O-N 2.85Å; K85-T102 HydrophobicContact CB-CG2 3.66Å; K85-T102 HydrophobicContact CD-CG2 4.29Å
103	N	87.9	Confident	83.4	Confident	56 Å²	56	59.1 Å²	59.1	30%	0.299	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	140.3	-178.1	-64.9	-64	0	0	0	110.1	K80 M81 S82	K80-N103 WeakPolarHBondContact CE-ND2 3.31Å; K80-N103 HydrophobicContact CG-CB 4.16Å; M81-N103 CarbonylContact O-C 3.56Å; M81-N103 VanDerWaalsContact O-CA 3.3Å; M81-N103 WeakPolarHBondContact O-CA 3.4Å; S82-N103 WeakPolarHBondContact CB-OD1 3.46Å; S82-N103 PolarHBondContact OG-OD1 2.81Å
104	L	84.5	Confident	84.4	Confident	5 Å²	5	50 Å²	50	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.5	166.6	-178.6	67.6	0	0	0	108.4	I22 V42 M53 I55 M81 Y83 I106	I22-L104 HydrophobicContact CB-CD1 4.49Å; I22-L104 HydrophobicContact CD1-CD1 4.29Å; I22-L104 HydrophobicContact CG1-CD1 4.4Å; I22-L104 HydrophobicContact CG2-CD1 3.39Å; V42-L104 HydrophobicContact CG2-CD2 4.28Å; M53-L104 HydrophobicContact CE-CD1 3.7Å; M53-L104 HydrophobicContact CE-CD2 3.54Å; M53-L104 HydrophobicContact CE-CG 4.24Å; I55-L104 HydrophobicContact CD1-CD2 4.18Å; M81-L104 HydrophobicContact CB-CB 4.29Å; M81-L104 PolarHBondContact N-O 3.37Å; M81-L104 PolarHBondContact O-N 3.09Å; M81-L104 HydrophobicContact SD-CD2 4.4Å; Y83-L104 HydrophobicContact CD1-CB 4.41Å; Y83-L104 HydrophobicContact CE1-CB 3.9Å; L104-I106 HydrophobicContact CD2-CD1 4.12Å; L104-I106 HydrophobicContact CD2-CG1 4.1Å; L104-I106 HydrophobicContact CG-CG1 4.02Å
105	D	85	Confident	85.3	Confident	42 Å²	42	48 Å²	48	23%	0.225	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119.4	176	-63.6	-23.5	0	0	0	109.3	I22 L23 K80	I22-D105 WeakPolarHBondContact CA-O 3.36Å; L23-D105 HydrophobicContact CB-CB 4.24Å; L23-D105 PolarHBondContact N-O 2.91Å; K80-D105 WeakPolarHBondContact CG-OD1 3.44Å
106	I	83.6	Confident	85.7	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	109.5	-176.8	-52.1	178.5	0	0	0	108.4	V20 L33 C78 L79 M81 L104 F108	V20-I106 HydrophobicContact CB-CG2 3.44Å; V20-I106 VanDerWaalsContact CB-CG2 3.44Å; V20-I106 HydrophobicContact CG1-CG2 3.4Å; V20-I106 VanDerWaalsContact CG1-CG2 3.4Å; V20-I106 HydrophobicContact CG2-CG2 3.77Å; L33-I106 HydrophobicContact CD2-CD1 4.23Å; C78-I106 CarbonylContact C-O 3.39Å; C78-I106 VanDerWaalsContact CA-O 3.31Å; C78-I106 WeakPolarHBondContact CA-O 3.3Å; L79-I106 HydrophobicContact CB-CB 4.32Å; L79-I106 PolarHBondContact N-O 3.36Å; L79-I106 PolarHBondContact O-N 2.94Å; M81-I106 HydrophobicContact CE-CD1 3.87Å; L104-I106 HydrophobicContact CD2-CD1 4.12Å; L104-I106 HydrophobicContact CD2-CG1 4.1Å; L104-I106 HydrophobicContact CG-CG1 4.02Å; I106-F108 HydrophobicContact CB-CE2 3.92Å; I106-F108 HydrophobicContact CG2-CD2 4.29Å; I106-F108 HydrophobicContact CG2-CE2 3.38Å; I106-F108 HydrophobicContact CG2-CZ 3.62Å; I106-F108 WeakPolarHBondContact O-CD2 3.3Å; I106-F108 WeakPolarHBondContact O-CE2 3.44Å
107	L	83.6	Confident	85.6	Confident	12 Å²	12	44.8 Å²	44.8	6%	0.063	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	133.8	-179.2	-64.2	166.1	0	0	0	111.6	V20 C21 L23 I68 N76 C78	V20-L107 WeakPolarHBondContact CA-O 3.47Å; C21-L107 HydrophobicContact CB-CB 4.02Å; C21-L107 HydrophobicContact CB-CD1 4.04Å; C21-L107 PolarHBondContact N-O 3.45Å; C21-L107 PolarHBondContact O-N 3.28Å; L23-L107 HydrophobicContact CD1-CD1 4.22Å; L23-L107 HydrophobicContact CG-CD1 4.48Å; I68-L107 HydrophobicContact CD1-CD2 4.25Å; N76-L107 HydrophobicContact CB-CD2 4.13Å; C78-L107 HydrophobicContact CB-CD2 3.93Å
108	F	83.1	Confident	85.5	Confident	6 Å²	6	42.8 Å²	42.8	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	156.7	179.7	-68.3	-94.4	0	0	0	112.2	Y18 V20 V77 L79 I106 E113 A114 C117	Y18-F108 HydrophobicContact CD1-CE1 4Å; Y18-F108 HydrophobicContact CG-CE1 4.04Å; V20-F108 HydrophobicContact CG1-CD1 4.14Å; V20-F108 HydrophobicContact CG1-CE1 3.69Å; V20-F108 HydrophobicContact CG1-CE2 4.33Å; V20-F108 HydrophobicContact CG1-CZ 3.79Å; V77-F108 PolarHBondContact O-N 2.72Å; L79-F108 HydrophobicContact CB-CE2 3.93Å; L79-F108 HydrophobicContact CD1-CD2 4.35Å; L79-F108 HydrophobicContact CD1-CE2 3.45Å; L79-F108 VanDerWaalsContact CD1-CE2 3.45Å; L79-F108 HydrophobicContact CD1-CZ 3.65Å; L79-F108 HydrophobicContact CG-CD2 3.94Å; L79-F108 HydrophobicContact CG-CE2 3.36Å; L79-F108 HydrophobicContact CG-CZ 4.11Å; I106-F108 HydrophobicContact CB-CE2 3.92Å; I106-F108 HydrophobicContact CG2-CD2 4.29Å; I106-F108 HydrophobicContact CG2-CE2 3.38Å; I106-F108 HydrophobicContact CG2-CZ 3.62Å; I106-F108 WeakPolarHBondContact O-CD2 3.3Å; I106-F108 WeakPolarHBondContact O-CE2 3.44Å; F108-E113 HydrophobicContact CB-CB 4.5Å; F108-E113 HydrophobicContact CD1-CB 3.79Å; F108-A114 HydrophobicContact CB-CB 3.89Å; F108-A114 HydrophobicContact CD1-CB 4.34Å; F108-A114 HydrophobicContact CD2-CB 3.81Å; F108-A114 HydrophobicContact CG-CB 3.73Å; F108-C117 HydrophobicContact CE1-CB 3.67Å; F108-C117 HydrophobicContact CZ-CB 3.59Å
109	S	77.6	Confident	85.4	Confident	99 Å²	99	48.3 Å²	48.3	69%	0.692	25%	0.252	S	S	*	.	S	Bend	trans	-81.6	-27.9	-179.7	81.8	0	0	0	0	112.6	E113	S109-E113 WeakPolarHBondContact CB-OE2 3.33Å; S109-E113 PolarHBondContact N-OE2 2.98Å; S109-E113 VanDerWaalsContact OG-CD 3.25Å; S109-E113 PolarHBondContact OG-OE1 3.09Å; S109-E113 PolarHBondContact OG-OE2 2.82Å
110	S	81.9	Confident	85.1	Confident	44 Å²	44	48.4 Å²	48.4	31%	0.308	25%	0.254	S	S	.	.	S	Bend	trans	-138.6	158.4	177.8	72.3	0	0	0	0	112	Q112 E113 A114	S110-Q112 VanDerWaalsContact C-N 3.26Å; S110-Q112 PolarHBondContact O-N 2.8Å; S110-E113 PolarHBondContact N-OE2 3.45Å; S110-E113 WeakPolarHBondContact OG-CG 3.34Å; S110-E113 PolarHBondContact OG-N 2.99Å; S110-A114 PolarHBondContact O-N 3.23Å
111	D	85.2	Confident	84.8	Confident	76 Å²	76	45.8 Å²	45.8	41%	0.406	24%	0.242	S	C	.	.	H	α-helix	trans	-66.1	-29.9	174.9	-167.8	70.3	0	0	0	113	K65 V77 S115	K65-D111 WeakPolarHBondContact CE-OD1 3.38Å; K65-D111 IonicContact NZ-OD1 3.84Å; K65-D111 PolarHBondContact NZ-OD1 2.86Å; K65-D111 IonicContact NZ-OD2 3.43Å; K65-D111 PolarHBondContact NZ-OD2 3.24Å; V77-D111 HydrophobicContact CG2-CB 3.95Å; V77-D111 WeakPolarHBondContact CG2-OD1 3.18Å; D111-S115 WeakPolarHBondContact O-CB 3.46Å; D111-S115 PolarHBondContact O-N 2.78Å; D111-S115 PolarHBondContact O-OG 2.83Å
112	Q	85.6	Confident	84.5	Confident	120 Å²	120	45.4 Å²	45.4	56%	0.561	24%	0.24	S	C	*	.	H	α-helix	trans	-63.6	-51	177.4	-177.5	64.2	22.2	0	0	110.9	S110 A114 S115 E116	S110-Q112 VanDerWaalsContact C-N 3.26Å; S110-Q112 PolarHBondContact O-N 2.8Å; Q112-A114 VanDerWaalsContact C-N 3.32Å; Q112-A114 PolarHBondContact O-N 3.5Å; Q112-S115 PolarHBondContact O-N 3.48Å; Q112-S115 VanDerWaalsContact O-N 3.14Å; Q112-E116 PolarHBondContact NE2-OE1 2.77Å; Q112-E116 WeakPolarHBondContact O-CG 3.3Å; Q112-E116 PolarHBondContact O-N 2.88Å
113	E	83.3	Confident	84.1	Confident	67 Å²	67	47.2 Å²	47.2	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-59.5	-43.5	177.8	-70.6	169.7	173	0	0	111.7	F108 S109 S110 S115 E116 C117	F108-E113 HydrophobicContact CB-CB 4.5Å; F108-E113 HydrophobicContact CD1-CB 3.79Å; S109-E113 WeakPolarHBondContact CB-OE2 3.33Å; S109-E113 PolarHBondContact N-OE2 2.98Å; S109-E113 VanDerWaalsContact OG-CD 3.25Å; S109-E113 PolarHBondContact OG-OE1 3.09Å; S109-E113 PolarHBondContact OG-OE2 2.82Å; S110-E113 PolarHBondContact N-OE2 3.45Å; S110-E113 WeakPolarHBondContact OG-CG 3.34Å; S110-E113 PolarHBondContact OG-N 2.99Å; E113-S115 VanDerWaalsContact C-N 3.32Å; E113-S115 PolarHBondContact O-N 2.84Å; E113-E116 PolarHBondContact O-N 2.88Å; E113-C117 WeakPolarHBondContact O-CB 3.38Å; E113-C117 PolarHBondContact O-N 2.89Å
114	A	84.9	Confident	83.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-40.8	176.9	0	0	0	0	0	111.7	V77 L79 F108 S110 Q112 C117 M118	V77-A114 HydrophobicContact CB-CB 3.98Å; V77-A114 HydrophobicContact CG1-CB 3.37Å; L79-A114 HydrophobicContact CD2-CB 4.2Å; L79-A114 HydrophobicContact CG-CB 4.49Å; F108-A114 HydrophobicContact CB-CB 3.89Å; F108-A114 HydrophobicContact CD1-CB 4.34Å; F108-A114 HydrophobicContact CD2-CB 3.81Å; F108-A114 HydrophobicContact CG-CB 3.73Å; S110-A114 PolarHBondContact O-N 3.23Å; Q112-A114 VanDerWaalsContact C-N 3.32Å; Q112-A114 PolarHBondContact O-N 3.5Å; A114-C117 PolarHBondContact O-N 2.92Å; A114-M118 WeakPolarHBondContact O-CB 3.44Å; A114-M118 WeakPolarHBondContact O-CG 3.18Å; A114-M118 PolarHBondContact O-N 3.31Å
115	S	88.1	Confident	83.1	Confident	29 Å²	29	46.6 Å²	46.6	20%	0.203	24%	0.241	C	C	.	.	H	α-helix	trans	-68.8	-37.8	179.1	-57.3	0	0	0	0	112.3	K65 D111 Q112 E113 M118 K119	K65-S115 PolarHBondContact NZ-OG 3.25Å; D111-S115 WeakPolarHBondContact O-CB 3.46Å; D111-S115 PolarHBondContact O-N 2.78Å; D111-S115 PolarHBondContact O-OG 2.83Å; Q112-S115 PolarHBondContact O-N 3.48Å; Q112-S115 VanDerWaalsContact O-N 3.14Å; E113-S115 VanDerWaalsContact C-N 3.32Å; E113-S115 PolarHBondContact O-N 2.84Å; S115-M118 PolarHBondContact O-N 3.36Å; S115-K119 WeakPolarHBondContact O-CG 3.49Å; S115-K119 PolarHBondContact O-N 2.85Å; S115-K119 VanDerWaalsContact O-N 3.12Å
116	E	85.9	Confident	82.5	Confident	83 Å²	83	50.5 Å²	50.5	39%	0.388	26%	0.258	S	S	.	.	H	α-helix	trans	-66.1	-44.6	174.2	-73.2	172.9	-171.3	0	0	111.5	Q112 E113 M118 K119 A120	Q112-E116 PolarHBondContact NE2-OE1 2.77Å; Q112-E116 WeakPolarHBondContact O-CG 3.3Å; Q112-E116 PolarHBondContact O-N 2.88Å; E113-E116 PolarHBondContact O-N 2.88Å; E116-M118 VanDerWaalsContact C-N 3.34Å; E116-M118 PolarHBondContact O-N 3.35Å; E116-K119 PolarHBondContact O-N 3.2Å; E116-A120 PolarHBondContact O-N 3.02Å
117	C	83.5	Confident	81.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-39.3	175.7	-174.9	0	0	0	0	112	Y18 L79 F108 E113 A114 A120 M121	Y18-C117 HydrophobicContact CD1-CB 4.22Å; Y18-C117 HydrophobicContact CD2-CB 4.09Å; Y18-C117 HydrophobicContact CE1-CB 3.83Å; Y18-C117 HydrophobicContact CE2-CB 3.66Å; Y18-C117 HydrophobicContact CG-CB 4.36Å; Y18-C117 WeakPolarHBondContact OH-CA 3.46Å; Y18-C117 PolarHBondContact OH-N 3.42Å; L79-C117 HydrophobicContact CD1-CB 3.79Å; F108-C117 HydrophobicContact CE1-CB 3.67Å; F108-C117 HydrophobicContact CZ-CB 3.59Å; E113-C117 WeakPolarHBondContact O-CB 3.38Å; E113-C117 PolarHBondContact O-N 2.89Å; A114-C117 PolarHBondContact O-N 2.92Å; C117-A120 PolarHBondContact O-N 3.39Å; C117-M121 VanDerWaalsContact O-CG 3.27Å; C117-M121 WeakPolarHBondContact O-CG 3.23Å; C117-M121 PolarHBondContact O-N 3.1Å
118	M	87.3	Confident	80.9	Confident	15 Å²	15	55.9 Å²	55.9	7%	0.074	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-47.5	174.4	-81.6	-60.3	-59.3	0	0	112.1	C63 K65 L79 A114 S115 E116 A120 M121 E122	C63-M118 HydrophobicContact CB-CE 4.15Å; C63-M118 HydrophobicContact CB-SD 4.12Å; C63-M118 PolarHBondContact SG-SD 2.88Å; K65-M118 HydrophobicContact CB-CG 4.19Å; L79-M118 HydrophobicContact CB-SD 4.35Å; L79-M118 HydrophobicContact CD1-CG 3.65Å; L79-M118 HydrophobicContact CD1-SD 3.74Å; L79-M118 HydrophobicContact CD2-CG 3.26Å; L79-M118 HydrophobicContact CD2-SD 3.49Å; L79-M118 WeakPolarHBondContact CD2-SD 3.17Å; L79-M118 HydrophobicContact CG-CG 4.03Å; L79-M118 HydrophobicContact CG-SD 4.02Å; A114-M118 WeakPolarHBondContact O-CB 3.44Å; A114-M118 WeakPolarHBondContact O-CG 3.18Å; A114-M118 PolarHBondContact O-N 3.31Å; S115-M118 PolarHBondContact O-N 3.36Å; E116-M118 VanDerWaalsContact C-N 3.34Å; E116-M118 PolarHBondContact O-N 3.35Å; M118-A120 VanDerWaalsContact C-N 3.28Å; M118-A120 PolarHBondContact O-N 2.78Å; M118-M121 WeakPolarHBondContact O-CB 3.34Å; M118-M121 PolarHBondContact O-N 3.34Å; M118-M121 VanDerWaalsContact O-N 3.09Å; M118-E122 WeakPolarHBondContact O-CB 3.36Å; M118-E122 WeakPolarHBondContact O-CG 3.29Å; M118-E122 PolarHBondContact O-N 2.95Å
119	K	86.4	Confident	79.9	Confident	146 Å²	146	57.6 Å²	57.6	64%	0.635	30%	0.297	S	S	*	.	H	α-helix	trans	-60.6	-39.6	177.2	-71.7	174.5	-178.5	-179.5	0	111.9	S115 E116 M121 F123	S115-K119 WeakPolarHBondContact O-CG 3.49Å; S115-K119 PolarHBondContact O-N 2.85Å; S115-K119 VanDerWaalsContact O-N 3.12Å; E116-K119 PolarHBondContact O-N 3.2Å; K119-M121 VanDerWaalsContact C-N 3.33Å; K119-F123 VanDerWaalsContact O-CB 3.26Å; K119-F123 WeakPolarHBondContact O-CB 3.35Å; K119-F123 PolarHBondContact O-N 3.3Å
120	A	83.5	Confident	78.8	Confident	11 Å²	11	58.2 Å²	58.2	9%	0.091	29%	0.292	C	S	.	.	H	α-helix	trans	-64.6	-38.1	175.4	0	0	0	0	0	112	L35 E116 C117 M118 F124	L35-A120 HydrophobicContact CD1-CB 3.85Å; E116-A120 PolarHBondContact O-N 3.02Å; C117-A120 PolarHBondContact O-N 3.39Å; M118-A120 VanDerWaalsContact C-N 3.28Å; M118-A120 PolarHBondContact O-N 2.78Å; A120-F124 WeakPolarHBondContact O-CB 3.27Å; A120-F124 PolarHBondContact O-N 3.45Å
121	M	82.5	Confident	77.2	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.02	32%	0.315	C	S	.	.	H	α-helix	trans	-68.9	-45	175.1	-70.9	-67.4	170.3	0	0	112.8	L33 L35 I40 M81 C117 M118 K119 F124 V125	L33-M121 HydrophobicContact CD2-CE 3.51Å; L33-M121 HydrophobicContact CG-CE 4.32Å; L35-M121 HydrophobicContact CD1-CE 3.77Å; L35-M121 HydrophobicContact CD1-SD 4.03Å; L35-M121 HydrophobicContact CD2-CE 3.09Å; L35-M121 HydrophobicContact CD2-SD 3.76Å; L35-M121 HydrophobicContact CG-CE 4.02Å; I40-M121 HydrophobicContact CD1-CE 3.9Å; I40-M121 HydrophobicContact CD1-SD 3.54Å; I40-M121 VanDerWaalsContact CD1-SD 3.54Å; I40-M121 HydrophobicContact CG1-SD 4.44Å; M81-M121 HydrophobicContact CE-CE 3.53Å; M81-M121 HydrophobicContact CE-SD 3.7Å; C117-M121 VanDerWaalsContact O-CG 3.27Å; C117-M121 WeakPolarHBondContact O-CG 3.23Å; C117-M121 PolarHBondContact O-N 3.1Å; M118-M121 WeakPolarHBondContact O-CB 3.34Å; M118-M121 PolarHBondContact O-N 3.34Å; M118-M121 VanDerWaalsContact O-N 3.09Å; K119-M121 VanDerWaalsContact C-N 3.33Å; M121-F124 WeakPolarHBondContact O-CB 2.93Å; M121-F124 PolarHBondContact O-N 3.31Å; M121-V125 WeakPolarHBondContact O-CB 3.5Å; M121-V125 VanDerWaalsContact O-CG2 3.3Å; M121-V125 WeakPolarHBondContact O-CG2 3.5Å; M121-V125 PolarHBondContact O-N 3.13Å
122	E	82.2	Confident	76	Confident	97 Å²	97	64.9 Å²	64.9	45%	0.453	33%	0.333	S	S	.	.	H	α-helix	trans	-58.8	-50.7	176.3	-73.5	166.3	177.1	0	0	109.5	M118 F124 V125 E126	M118-E122 WeakPolarHBondContact O-CB 3.36Å; M118-E122 WeakPolarHBondContact O-CG 3.29Å; M118-E122 PolarHBondContact O-N 2.95Å; E122-F124 VanDerWaalsContact C-N 3.31Å; E122-F124 PolarHBondContact O-N 3.24Å; E122-V125 PolarHBondContact O-N 3.09Å; E122-E126 WeakPolarHBondContact O-CB 3.3Å; E122-E126 VanDerWaalsContact O-CG 3.29Å; E122-E126 WeakPolarHBondContact O-CG 3.36Å; E122-E126 PolarHBondContact O-N 2.87Å
123	F	80	Confident	75.5	Confident	79 Å²	79	61 Å²	61	35%	0.346	32%	0.321	S	S	.	.	H	α-helix	trans	-57.9	-43.2	174.1	-177.8	-96.7	0	0	0	112	V14 K119 N127	V14-F123 HydrophobicContact CG2-CD1 4.29Å; V14-F123 HydrophobicContact CG2-CE1 4.09Å; K119-F123 VanDerWaalsContact O-CB 3.26Å; K119-F123 WeakPolarHBondContact O-CB 3.35Å; K119-F123 PolarHBondContact O-N 3.3Å; F123-N127 VanDerWaalsContact CD2-ND2 3.35Å; F123-N127 WeakPolarHBondContact CD2-ND2 3.1Å; F123-N127 WeakPolarHBondContact CE1-ND2 3.4Å; F123-N127 WeakPolarHBondContact CE2-ND2 3.24Å; F123-N127 WeakPolarHBondContact CZ-ND2 3.04Å; F123-N127 WeakPolarHBondContact O-CB 3.41Å; F123-N127 PolarHBondContact O-N 2.78Å; F123-N127 PolarHBondContact O-ND2 2.7Å
124	F	78	Confident	75.7	Confident	22 Å²	22	62.4 Å²	62.4	10%	0.096	33%	0.327	C	S	.	.	H	α-helix	trans	-61.9	-47	177.9	174.5	-109.7	0	0	0	112.3	N36 I40 K57 I60 A120 M121 E122 N127 A128	N36-F124 WeakPolarHBondContact O-CE2 3.31Å; N36-F124 VanDerWaalsContact O-CZ 3.32Å; N36-F124 WeakPolarHBondContact O-CZ 3.43Å; I40-F124 HydrophobicContact CG1-CE1 4.29Å; K57-F124 HydrophobicContact CB-CE1 3.92Å; K57-F124 HydrophobicContact CB-CZ 3.59Å; K57-F124 HydrophobicContact CD-CZ 4.47Å; I60-F124 HydrophobicContact CD1-CD1 4.31Å; I60-F124 HydrophobicContact CD1-CE1 3.66Å; A120-F124 WeakPolarHBondContact O-CB 3.27Å; A120-F124 PolarHBondContact O-N 3.45Å; M121-F124 WeakPolarHBondContact O-CB 2.93Å; M121-F124 PolarHBondContact O-N 3.31Å; E122-F124 VanDerWaalsContact C-N 3.31Å; E122-F124 PolarHBondContact O-N 3.24Å; F124-N127 PolarHBondContact O-N 3.04Å; F124-A128 WeakPolarHBondContact O-CB 3.43Å; F124-A128 PolarHBondContact O-N 2.9Å
125	V	74.1	Confident	76.2	Confident	25 Å²	25	63.8 Å²	63.8	15%	0.152	34%	0.336	C	S	.	.	H	α-helix	trans	-65.9	-45.1	179.4	171.1	0	0	0	0	110.5	I60 M121 E122 N127 A128 H129	I60-V125 HydrophobicContact CG2-CG2 4.32Å; M121-V125 WeakPolarHBondContact O-CB 3.5Å; M121-V125 VanDerWaalsContact O-CG2 3.3Å; M121-V125 WeakPolarHBondContact O-CG2 3.5Å; M121-V125 PolarHBondContact O-N 3.13Å; E122-V125 PolarHBondContact O-N 3.09Å; V125-N127 VanDerWaalsContact C-N 3.32Å; V125-N127 PolarHBondContact O-N 3.01Å; V125-A128 PolarHBondContact O-N 2.97Å; V125-H129 PolarHBondContact O-CD2 2.89Å; V125-H129 PolarHBondContact O-N 2.9Å
126	E	72.7	Confident	76.5	Confident	124 Å²	124	62.5 Å²	62.5	58%	0.579	33%	0.326	S	S	*	.	H	α-helix	trans	-59	-39.7	176.8	-75.1	175.4	179.8	0	0	112.6	E122	E122-E126 WeakPolarHBondContact O-CB 3.3Å; E122-E126 VanDerWaalsContact O-CG 3.29Å; E122-E126 WeakPolarHBondContact O-CG 3.36Å; E122-E126 PolarHBondContact O-N 2.87Å
127	N	70.3	Confident	77.1	Confident	108 Å²	108	58.8 Å²	58.8	58%	0.578	31%	0.309	S	S	*	.	H	α-helix	trans	-84.8	-18.8	177.1	-71.9	-79.1	0	0	0	113.8	F123 F124 V125	F123-N127 VanDerWaalsContact CD2-ND2 3.35Å; F123-N127 WeakPolarHBondContact CD2-ND2 3.1Å; F123-N127 WeakPolarHBondContact CE1-ND2 3.4Å; F123-N127 WeakPolarHBondContact CE2-ND2 3.24Å; F123-N127 WeakPolarHBondContact CZ-ND2 3.04Å; F123-N127 WeakPolarHBondContact O-CB 3.41Å; F123-N127 PolarHBondContact O-N 2.78Å; F123-N127 PolarHBondContact O-ND2 2.7Å; F124-N127 PolarHBondContact O-N 3.04Å; V125-N127 VanDerWaalsContact C-N 3.32Å; V125-N127 PolarHBondContact O-N 3.01Å
128	A	62.8	Low	77.8	Confident	19 Å²	19	58.8 Å²	58.8	16%	0.157	31%	0.309	C	S	.	.	H	α-helix	trans	-74.7	-32.5	177.4	0	0	0	0	0	112.3	K57 F124 V125	K57-A128 HydrophobicContact CB-CB 4.31Å; K57-A128 HydrophobicContact CD-CB 3.92Å; K57-A128 HydrophobicContact CG-CB 4.38Å; F124-A128 WeakPolarHBondContact O-CB 3.43Å; F124-A128 PolarHBondContact O-N 2.9Å; V125-A128 PolarHBondContact O-N 2.97Å
129	H	61.8	Low	78.3	Confident	41 Å²	41	58 Å²	58	19%	0.19	31%	0.305	C	S	.	.	S	Bend	trans	-92.1	136.8	175.7	-60.4	-63.7	0	0	0	109.6	V125 S131	V125-H129 PolarHBondContact O-CD2 2.89Å; V125-H129 PolarHBondContact O-N 2.9Å; H129-S131 PolarHBondContact O-N 2.84Å; H129-S131 VanDerWaalsContact O-N 3.08Å
130	L	54.4	Low	78.9	Confident	113 Å²	113	51.1 Å²	51.1	59%	0.592	28%	0.275	S	S	*	.			trans	-63.2	113.5	176.3	-69.6	160.9	0	0	0	108.1	D132 A133	L130-D132 PolarHBondContact O-N 2.87Å; L130-A133 WeakPolarHBondContact O-CB 3.46Å; L130-A133 PolarHBondContact O-N 3.15Å
131	S	49.6	Very low	79.5	Confident	113 Å²	113	52.8 Å²	52.8	79%	0.79	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.3	180	59.6	0	0	0	0	113.6	H129	H129-S131 PolarHBondContact O-N 2.84Å; H129-S131 VanDerWaalsContact O-N 3.08Å
132	D	59.1	Low	80	Confident	147 Å²	147	54.7 Å²	54.7	79%	0.786	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	29.7	-179.4	-63.4	-22.3	0	0	0	113.3	L130 K134	L130-D132 PolarHBondContact O-N 2.87Å; D132-K134 PolarHBondContact O-N 3.06Å; D132-K134 VanDerWaalsContact O-N 3.1Å
133	A	75.3	Confident	80.3	Confident	37 Å²	37	58 Å²	58	31%	0.306	31%	0.308	S	S	.	.			trans	-63.1	114.9	179.7	0	0	0	0	0	111.6	L130 P167	L130-A133 WeakPolarHBondContact O-CB 3.46Å; L130-A133 PolarHBondContact O-N 3.15Å; A133-P167 HydrophobicContact CB-CG 4.34Å; A133-P167 WeakPolarHBondContact O-CG 3.4Å
134	K	88.3	Confident	80.6	Confident	98 Å²	98	54.8 Å²	54.8	43%	0.426	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-50	138.7	168.9	-71.2	-176.4	-176.6	-173.8	0	110.5	D132 L192 R193 R195	D132-K134 PolarHBondContact O-N 3.06Å; D132-K134 VanDerWaalsContact O-N 3.1Å; K134-L192 PolarHBondContact NZ-O 2.89Å; K134-R193 WeakPolarHBondContact CB-O 3.19Å; K134-R193 WeakPolarHBondContact CG-O 3.38Å; K134-R195 HydrophobicContact CB-CB 3.88Å; K134-R195 VanDerWaalsContact O-CB 3.29Å; K134-R195 WeakPolarHBondContact O-CB 3.46Å
135	P	93.8	Very high	80.7	Confident	29 Å²	29	54.3 Å²	54.3	19%	0.188	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-67.6	155.1	177.9	26.6	-33.1	0	0	0	112.6	P167 Y194 R195	P135-P167 CarbonylContact C-O 3.58Å; P135-P167 VanDerWaalsContact CA-O 3.31Å; P135-P167 WeakPolarHBondContact CA-O 3.47Å; P135-P167 HydrophobicContact CB-CB 4.13Å; P135-P167 HydrophobicContact CB-CG 4.47Å; P135-Y194 HydrophobicContact CB-CD1 4.4Å; P135-Y194 HydrophobicContact CG-CD1 3.91Å; P135-Y194 HydrophobicContact CG-CE1 4.16Å; P135-Y194 CarbonylContact O-C 3.35Å; P135-Y194 VanDerWaalsContact O-CA 3.26Å; P135-Y194 WeakPolarHBondContact O-CA 3.19Å; P135-R195 PolarHBondContact O-N 3.16Å
136	Y	95.9	Very high	81	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	135.5	161.5	-74.3	-56.3	0	0	0	111.1	W161 V166 P167 Y168 E169 R195 A196 V198 L265 I545	Y136-W161 HydrophobicContact CD2-CE3 4.46Å; Y136-W161 AromaticContact CD2-CH2 3.82Å; Y136-W161 HydrophobicContact CD2-CH2 3.82Å; Y136-W161 HydrophobicContact CD2-CZ2 4.45Å; Y136-W161 AromaticContact CD2-CZ3 3.83Å; Y136-W161 HydrophobicContact CD2-CZ3 3.83Å; Y136-W161 HydrophobicContact CE2-CH2 4.33Å; Y136-W161 HydrophobicContact CG-CH2 4.41Å; Y136-W161 HydrophobicContact CG-CZ3 4.43Å; Y136-V166 HydrophobicContact CD2-CG1 3.61Å; Y136-V166 HydrophobicContact CE2-CG1 3.58Å; Y136-P167 PolarHBondContact N-O 3.34Å; Y136-Y168 CarbonylContact O-C 3.56Å; Y136-Y168 VanDerWaalsContact O-CA 3.23Å; Y136-Y168 WeakPolarHBondContact O-CA 3.48Å; Y136-E169 PolarHBondContact O-N 3.25Å; Y136-R195 HydrophobicContact CD1-CB 4.18Å; Y136-R195 HydrophobicContact CD1-CG 4.28Å; Y136-R195 HydrophobicContact CE1-CB 4.12Å; Y136-R195 HydrophobicContact CE1-CG 3.71Å; Y136-R195 PolarHBondContact OH-NE 3.23Å; Y136-A196 HydrophobicContact CD1-CB 3.63Å; Y136-A196 HydrophobicContact CE1-CB 3.47Å; Y136-A196 VanDerWaalsContact CE1-CB 3.47Å; Y136-V198 HydrophobicContact CD1-CG2 3.49Å; Y136-V198 VanDerWaalsContact CD1-CG2 3.49Å; Y136-V198 HydrophobicContact CE1-CG2 4.1Å; Y136-V198 HydrophobicContact CG-CG2 3.74Å; Y136-L265 HydrophobicContact CE2-CB 4.41Å; Y136-L265 WeakPolarHBondContact CE2-O 3.28Å; Y136-L265 PolarHBondContact OH-O 3.13Å; Y136-I545 HydrophobicContact CE1-CD1 4.29Å
137	L	97.7	Very high	81.6	Confident	4 Å²	4	53 Å²	53	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	102.8	165	173.7	58.8	0	0	0	108.4	L139 F171 F182 I183 L186 Y194 A196 I197 V198	L137-L139 HydrophobicContact CD2-CD1 4.17Å; L137-L139 HydrophobicContact CG-CD1 3.8Å; L137-F171 HydrophobicContact CD1-CB 4.33Å; L137-F182 HydrophobicContact CD1-CE1 4.4Å; L137-F182 HydrophobicContact CD2-CE1 4Å; L137-I183 HydrophobicContact CD2-CD1 4.46Å; L137-L186 HydrophobicContact CD2-CD2 4.04Å; L137-Y194 HydrophobicContact CB-CD1 3.57Å; L137-Y194 HydrophobicContact CB-CD2 3.82Å; L137-Y194 HydrophobicContact CB-CE1 3.81Å; L137-Y194 HydrophobicContact CB-CE2 4.04Å; L137-Y194 HydrophobicContact CB-CG 3.57Å; L137-Y194 HydrophobicContact CD1-CE1 4.33Å; L137-Y194 HydrophobicContact CD1-CE2 4.35Å; L137-Y194 HydrophobicContact CD2-CD2 3.9Å; L137-Y194 HydrophobicContact CD2-CE2 3.78Å; L137-Y194 HydrophobicContact CD2-CG 4.5Å; L137-Y194 HydrophobicContact CG-CD2 4.41Å; L137-Y194 HydrophobicContact CG-CE2 4.27Å; L137-A196 PolarHBondContact N-O 3.43Å; L137-A196 VanDerWaalsContact N-O 3.11Å; L137-I197 HydrophobicContact CD2-CG1 4.34Å; L137-V198 PolarHBondContact O-N 3.37Å
138	V	98.4	Very high	82.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	106.4	-176.8	-175.7	0	0	0	0	109.8	F153 W161 Y168 E169 L170 F171 V198 C200	V138-F153 HydrophobicContact CG1-CE2 4.09Å; V138-F153 HydrophobicContact CG1-CZ 4.34Å; V138-F153 HydrophobicContact CG2-CE2 4.46Å; V138-F153 HydrophobicContact CG2-CZ 4.4Å; V138-W161 HydrophobicContact CG2-CZ3 4Å; V138-Y168 HydrophobicContact CG2-CD2 4.26Å; V138-Y168 HydrophobicContact CG2-CG 4.4Å; V138-E169 PolarHBondContact N-O 2.93Å; V138-L170 HydrophobicContact CB-CD1 3.93Å; V138-L170 HydrophobicContact CG1-CD1 3.76Å; V138-L170 WeakPolarHBondContact O-CA 3.32Å; V138-F171 PolarHBondContact O-N 3.39Å; V138-V198 CarbonylContact C-O 3.43Å; V138-V198 VanDerWaalsContact CA-O 3.29Å; V138-V198 WeakPolarHBondContact CA-O 3.41Å; V138-V198 HydrophobicContact CG2-CB 4.13Å; V138-C200 HydrophobicContact CG1-CB 3.96Å
139	L	98.5	Very high	83.7	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	129.3	170.2	-69.8	85.1	0	0	0	109.5	L137 F171 A179 F182 I183 I197 V198 T199 C200 L205 V209	L137-L139 HydrophobicContact CD2-CD1 4.17Å; L137-L139 HydrophobicContact CG-CD1 3.8Å; L139-F171 CarbonylContact C-O 3.58Å; L139-F171 WeakPolarHBondContact CA-O 2.89Å; L139-F171 HydrophobicContact CB-CD1 4.44Å; L139-F171 HydrophobicContact CD2-CD1 3.94Å; L139-F171 HydrophobicContact CD2-CE1 4.37Å; L139-F171 HydrophobicContact CG-CB 4.23Å; L139-F171 HydrophobicContact CG-CD1 3.85Å; L139-F171 HydrophobicContact CG-CG 4.4Å; L139-A179 HydrophobicContact CD2-CB 3.49Å; L139-A179 VanDerWaalsContact CD2-CB 3.49Å; L139-F182 HydrophobicContact CD2-CD1 4.07Å; L139-I183 HydrophobicContact CD1-CD1 4.3Å; L139-I183 HydrophobicContact CD2-CD1 4.28Å; L139-I183 HydrophobicContact CD2-CG1 4.24Å; L139-I197 HydrophobicContact CD1-CG2 3.48Å; L139-I197 VanDerWaalsContact CD1-CG2 3.48Å; L139-V198 PolarHBondContact N-O 2.87Å; L139-T199 CarbonylContact O-C 3.27Å; L139-C200 PolarHBondContact O-N 3.08Å; L139-L205 HydrophobicContact CB-CD2 4.26Å; L139-L205 VanDerWaalsContact O-CD2 3.3Å; L139-L205 WeakPolarHBondContact O-CD2 3.23Å; L139-V209 HydrophobicContact CD2-CG2 4.07Å
140	I	97.8	Very high	85.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	127	-176.8	-173.8	149.9	0	0	0	111.1	P142 A149 L150 F153 L170 F171 C172 T173 C200	I140-P142 WeakPolarHBondContact O-CD 3.35Å; I140-A149 HydrophobicContact CD1-CB 4.49Å; I140-A149 HydrophobicContact CG1-CB 4.43Å; I140-L150 VanDerWaalsContact CD1-CA 3.48Å; I140-L150 HydrophobicContact CD1-CB 4.03Å; I140-L150 HydrophobicContact CD1-CD1 3.96Å; I140-F153 HydrophobicContact CD1-CB 4.02Å; I140-F153 HydrophobicContact CD1-CG 4.49Å; I140-L170 HydrophobicContact CB-CD1 4.27Å; I140-L170 HydrophobicContact CG2-CD1 3.59Å; I140-L170 HydrophobicContact CG2-CD2 4.18Å; I140-L170 HydrophobicContact CG2-CG 3.83Å; I140-F171 PolarHBondContact N-O 3.39Å; I140-C172 HydrophobicContact CG2-CB 4.34Å; I140-C172 CarbonylContact O-C 3.54Å; I140-C172 WeakPolarHBondContact O-CA 3.44Å; I140-T173 PolarHBondContact O-N 3.35Å; I140-C200 HydrophobicContact CB-CB 4.23Å; I140-C200 HydrophobicContact CD1-CB 3.92Å; I140-C200 HydrophobicContact CG1-CB 4.21Å; I140-C200 WeakPolarHBondContact CG1-O 3.19Å
141	N	95.4	Very high	87.1	Confident	47 Å²	47	49.3 Å²	49.3	25%	0.251	29%	0.288	S	S	.	.			trans	-90.5	107.1	163.4	-178.3	-16.2	0	0	0	108.8	K143 S144 A149 T173 S201	N141-K143 PolarHBondContact O-N 3.17Å; N141-K143 WeakPolarHBondContact OD1-CB 3.22Å; N141-K143 PolarHBondContact OD1-N 3.29Å; N141-S144 WeakPolarHBondContact O-CB 3.37Å; N141-S144 PolarHBondContact O-N 3.28Å; N141-S144 VanDerWaalsContact O-N 3.1Å; N141-A149 WeakPolarHBondContact O-CB 3.36Å; N141-T173 VanDerWaalsContact CA-OG1 3.24Å; N141-T173 WeakPolarHBondContact CA-OG1 3.32Å; N141-T173 VanDerWaalsContact CB-OG1 3.26Å; N141-T173 WeakPolarHBondContact CB-OG1 3.44Å; N141-S201 WeakPolarHBondContact CB-OG 3.45Å; N141-S201 PolarHBondContact N-OG 3.1Å; N141-S201 PolarHBondContact O-OG 2.56Å
142	P	93.4	Very high	89.2	Confident	43 Å²	43	44.9 Å²	44.9	28%	0.279	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.1	-177.4	25.8	-33.8	0	0	0	112.8	I140 S144 G147 L150 T173	I140-P142 WeakPolarHBondContact O-CD 3.35Å; P142-S144 VanDerWaalsContact C-N 3.33Å; P142-G147 CarbonylContact O-C 3.48Å; P142-L150 HydrophobicContact CB-CB 4.25Å; P142-L150 HydrophobicContact CB-CD2 4.45Å; P142-T173 WeakPolarHBondContact CD-O 3.37Å
143	K	88.6	Confident	90.9	Very high	167 Å²	167	37.9 Å²	37.9	73%	0.726	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	0.3	179.3	-63.5	-178.9	179.8	171	0	113.5	N141	N141-K143 PolarHBondContact O-N 3.17Å; N141-K143 WeakPolarHBondContact OD1-CB 3.22Å; N141-K143 PolarHBondContact OD1-N 3.29Å
144	S	87	Confident	91.9	Very high	11 Å²	11	39.4 Å²	39.4	8%	0.077	23%	0.226	C	C	.	.	S	Bend	trans	-62.3	145.3	-175.8	-154.5	0	0	0	0	113	N141 P142 S146 G147 G202	N141-S144 WeakPolarHBondContact O-CB 3.37Å; N141-S144 PolarHBondContact O-N 3.28Å; N141-S144 VanDerWaalsContact O-N 3.1Å; P142-S144 VanDerWaalsContact C-N 3.33Å; S144-S146 PolarHBondContact O-N 3.49Å; S144-S146 VanDerWaalsContact O-N 3.13Å; S144-G147 PolarHBondContact O-N 3.06Å; S144-G202 PolarHBondContact OG-N 3.29Å; S144-G202 VanDerWaalsContact OG-N 3.13Å
145	G	80.2	Confident	92.2	Very high	13 Å²	13	43.6 Å²	43.6	13%	0.134	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	-111.4	178.6	0	0	0	0	0	112.8	G147	G145-G147 VanDerWaalsContact C-N 3.31Å
146	S	81.1	Confident	92.2	Very high	85 Å²	85	47.2 Å²	47.2	59%	0.594	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	9.6	175.8	57.6	0	0	0	0	113.9	S144 N148	S144-S146 PolarHBondContact O-N 3.49Å; S144-S146 VanDerWaalsContact O-N 3.13Å; S146-N148 PolarHBondContact OG-ND2 2.85Å; S146-N148 VanDerWaalsContact OG-ND2 3.08Å
147	G	83.8	Confident	92.2	Very high	36 Å²	36	47.2 Å²	47.2	37%	0.371	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	21.7	-173.4	0	0	0	0	0	113.8	P142 S144 G145	P142-G147 CarbonylContact O-C 3.48Å; S144-G147 PolarHBondContact O-N 3.06Å; G145-G147 VanDerWaalsContact C-N 3.31Å
148	N	86.1	Confident	92.1	Very high	81 Å²	81	47.2 Å²	47.2	43%	0.433	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	6.8	-175.3	-76.7	-56.4	0	0	0	114.1	S146 L150 N151 G152	S146-N148 PolarHBondContact OG-ND2 2.85Å; S146-N148 VanDerWaalsContact OG-ND2 3.08Å; N148-L150 VanDerWaalsContact C-N 3.34Å; N148-L150 PolarHBondContact O-N 3.22Å; N148-N151 PolarHBondContact O-N 3.2Å; N148-N151 PolarHBondContact OD1-ND2 3.45Å; N148-G152 PolarHBondContact O-N 3.08Å
149	A	91.3	Very high	91.9	Very high	3 Å²	3	49.5 Å²	49.5	3%	0.025	27%	0.269	C	S	.	.	H	α-helix	trans	-56.4	-47	-176	0	0	0	0	0	112.1	I140 N141 G152 F153	I140-A149 HydrophobicContact CD1-CB 4.49Å; I140-A149 HydrophobicContact CG1-CB 4.43Å; N141-A149 WeakPolarHBondContact O-CB 3.36Å; A149-G152 PolarHBondContact O-N 2.92Å; A149-F153 PolarHBondContact O-N 3.38Å
150	L	94.6	Very high	91.6	Very high	46 Å²	46	50.6 Å²	50.6	24%	0.241	27%	0.274	C	S	.	.	H	α-helix	trans	-64.6	-42.1	178.1	-178.7	60.4	0	0	0	112.6	I140 P142 N148 F153 N154 L170	I140-L150 VanDerWaalsContact CD1-CA 3.48Å; I140-L150 HydrophobicContact CD1-CB 4.03Å; I140-L150 HydrophobicContact CD1-CD1 3.96Å; P142-L150 HydrophobicContact CB-CB 4.25Å; P142-L150 HydrophobicContact CB-CD2 4.45Å; N148-L150 VanDerWaalsContact C-N 3.34Å; N148-L150 PolarHBondContact O-N 3.22Å; L150-F153 PolarHBondContact O-N 2.93Å; L150-N154 WeakPolarHBondContact O-CB 3.48Å; L150-N154 VanDerWaalsContact O-CG 3.29Å; L150-N154 PolarHBondContact O-N 3.06Å; L150-N154 PolarHBondContact O-ND2 2.84Å; L150-L170 HydrophobicContact CD1-CD2 3.87Å
151	N	94.1	Very high	91.4	Very high	73 Å²	73	50.7 Å²	50.7	39%	0.39	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-46	174.4	-69.5	-24.1	0	0	0	110.8	N148 F153 N154 Y155	N148-N151 PolarHBondContact O-N 3.2Å; N148-N151 PolarHBondContact OD1-ND2 3.45Å; N151-F153 VanDerWaalsContact C-N 3.34Å; N151-F153 PolarHBondContact O-N 3.3Å; N151-N154 PolarHBondContact O-N 3.44Å; N151-Y155 HydrophobicContact CB-CD2 4.15Å; N151-Y155 HydrophobicContact CB-CE2 4.25Å; N151-Y155 WeakPolarHBondContact O-CB 3.46Å; N151-Y155 WeakPolarHBondContact O-CD2 3.48Å; N151-Y155 PolarHBondContact O-N 3.25Å
152	G	92.6	Very high	91.2	Very high	20 Å²	20	54.8 Å²	54.8	21%	0.206	29%	0.29	C	S	.	.	H	α-helix	trans	-56.8	-46.9	177	0	0	0	0	0	112	N148 A149 K156	N148-G152 PolarHBondContact O-N 3.08Å; A149-G152 PolarHBondContact O-N 2.92Å; G152-K156 WeakPolarHBondContact O-CB 3.44Å; G152-K156 PolarHBondContact O-N 3.46Å
153	F	95.8	Very high	91	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.292	C	S	.	.	I	π-helix	trans	-59	-52.5	174.5	-179.7	-100.6	0	0	0	111.9	V138 I140 A149 L150 N151 Y155 V157 S158 W161 Y168 L170 L233	V138-F153 HydrophobicContact CG1-CE2 4.09Å; V138-F153 HydrophobicContact CG1-CZ 4.34Å; V138-F153 HydrophobicContact CG2-CE2 4.46Å; V138-F153 HydrophobicContact CG2-CZ 4.4Å; I140-F153 HydrophobicContact CD1-CB 4.02Å; I140-F153 HydrophobicContact CD1-CG 4.49Å; A149-F153 PolarHBondContact O-N 3.38Å; L150-F153 PolarHBondContact O-N 2.93Å; N151-F153 VanDerWaalsContact C-N 3.34Å; N151-F153 PolarHBondContact O-N 3.3Å; F153-Y155 VanDerWaalsContact C-N 3.33Å; F153-Y155 PolarHBondContact O-N 2.99Å; F153-V157 HydrophobicContact CD2-CB 3.85Å; F153-V157 HydrophobicContact CD2-CG1 4.01Å; F153-V157 HydrophobicContact CD2-CG2 4.4Å; F153-V157 HydrophobicContact CE2-CB 4.12Å; F153-V157 HydrophobicContact CE2-CG1 3.81Å; F153-V157 PolarHBondContact O-N 2.89Å; F153-S158 PolarHBondContact O-N 3.08Å; F153-W161 HydrophobicContact CE2-CE3 4.46Å; F153-W161 HydrophobicContact CE2-CZ3 4.21Å; F153-W161 HydrophobicContact CZ-CZ3 4.48Å; F153-Y168 HydrophobicContact CE1-CD2 4.22Å; F153-Y168 AromaticContact CE1-CE2 3.57Å; F153-Y168 HydrophobicContact CE1-CE2 3.57Å; F153-Y168 AromaticContact CE1-CZ 3.87Å; F153-Y168 AromaticContact CZ-CD2 3.82Å; F153-Y168 HydrophobicContact CZ-CD2 3.82Å; F153-Y168 HydrophobicContact CZ-CE1 4.37Å; F153-Y168 AromaticContact CZ-CE2 3.59Å; F153-Y168 HydrophobicContact CZ-CE2 3.59Å; F153-Y168 HydrophobicContact CZ-CG 4.33Å; F153-Y168 AromaticContact CZ-CZ 3.89Å; F153-L170 HydrophobicContact CD1-CD1 4.44Å; F153-L170 HydrophobicContact CE1-CD1 4.16Å; F153-L233 HydrophobicContact CD2-CD1 3.86Å; F153-L233 HydrophobicContact CE2-CD1 3.89Å
154	N	96.4	Very high	90.9	Very high	69 Å²	69	48.1 Å²	48.1	37%	0.369	26%	0.258	S	S	.	.	I	π-helix	trans	-64.5	-33.3	-176.7	-73.9	-22.2	0	0	0	113.6	L150 N151 P159	L150-N154 WeakPolarHBondContact O-CB 3.48Å; L150-N154 VanDerWaalsContact O-CG 3.29Å; L150-N154 PolarHBondContact O-N 3.06Å; L150-N154 PolarHBondContact O-ND2 2.84Å; N151-N154 PolarHBondContact O-N 3.44Å; N154-P159 VanDerWaalsContact O-CD 3.23Å; N154-P159 WeakPolarHBondContact O-CD 3.29Å; N154-P159 VanDerWaalsContact O-CG 3.3Å; N154-P159 WeakPolarHBondContact O-CG 3.46Å
155	Y	94.4	Very high	90.9	Very high	186 Å²	186	52 Å²	52	73%	0.729	28%	0.278	S	S	*	.	I	π-helix	trans	-92.4	-29.8	-177.8	-72.6	-63.1	0	0	0	114.1	N151 F153	N151-Y155 HydrophobicContact CB-CD2 4.15Å; N151-Y155 HydrophobicContact CB-CE2 4.25Å; N151-Y155 WeakPolarHBondContact O-CB 3.46Å; N151-Y155 WeakPolarHBondContact O-CD2 3.48Å; N151-Y155 PolarHBondContact O-N 3.25Å; F153-Y155 VanDerWaalsContact C-N 3.33Å; F153-Y155 PolarHBondContact O-N 2.99Å
156	K	92.8	Very high	91.4	Very high	105 Å²	105	52.5 Å²	52.5	46%	0.457	28%	0.278	S	S	.	.	I	π-helix	trans	-113.2	-27.1	-173.3	-61.5	-167.8	-179.9	-178.9	0	115.3	G152 I160 L258	G152-K156 WeakPolarHBondContact O-CB 3.44Å; G152-K156 PolarHBondContact O-N 3.46Å; K156-I160 WeakPolarHBondContact O-CD1 3.38Å; K156-L258 HydrophobicContact CB-CD2 4.24Å; K156-L258 HydrophobicContact CD-CD2 4.29Å
157	V	95.7	Very high	91.9	Very high	2 Å²	2	51 Å²	51	1%	0.012	27%	0.266	C	S	.	.	I	π-helix	trans	-107	-58.1	-173.9	-178.4	0	0	0	0	110.5	F153 P159 I160 W161 L233 L258	F153-V157 HydrophobicContact CD2-CB 3.85Å; F153-V157 HydrophobicContact CD2-CG1 4.01Å; F153-V157 HydrophobicContact CD2-CG2 4.4Å; F153-V157 HydrophobicContact CE2-CB 4.12Å; F153-V157 HydrophobicContact CE2-CG1 3.81Å; F153-V157 PolarHBondContact O-N 2.89Å; V157-P159 VanDerWaalsContact C-CD 3.45Å; V157-I160 PolarHBondContact O-N 2.92Å; V157-I160 VanDerWaalsContact O-N 3.1Å; V157-W161 HydrophobicContact CG1-CD2 3.67Å; V157-W161 VanDerWaalsContact CG1-CE2 3.45Å; V157-W161 HydrophobicContact CG1-CE3 4.21Å; V157-W161 HydrophobicContact CG1-CG 4.02Å; V157-W161 HydrophobicContact CG1-CH2 4.35Å; V157-W161 HydrophobicContact CG1-CZ2 3.82Å; V157-W161 PolarHBondContact O-N 2.98Å; V157-L233 HydrophobicContact CG1-CD1 4.06Å; V157-L233 HydrophobicContact CG1-CD2 4.42Å; V157-L233 HydrophobicContact CG2-CD2 4.28Å; V157-L258 HydrophobicContact CG2-CD1 3.67Å; V157-L258 HydrophobicContact CG2-CD2 4.31Å; V157-L258 HydrophobicContact CG2-CG 3.8Å
158	S	96.6	Very high	92.5	Very high	4 Å²	4	52 Å²	52	3%	0.028	26%	0.259	C	S	.	.	H	α-helix	trans	-50.7	-44.6	-177.4	176.3	0	0	0	0	114	F153 I160 W161 K162 Y168	F153-S158 PolarHBondContact O-N 3.08Å; S158-I160 VanDerWaalsContact C-N 3.33Å; S158-I160 PolarHBondContact O-N 3.36Å; S158-W161 PolarHBondContact O-N 3.4Å; S158-K162 WeakPolarHBondContact O-CB 3.44Å; S158-K162 VanDerWaalsContact O-CG 3.29Å; S158-K162 WeakPolarHBondContact O-CG 3.11Å; S158-K162 PolarHBondContact O-N 3.38Å; S158-K162 WeakPolarHBondContact OG-CE 3.44Å; S158-Y168 PolarHBondContact OG-OH 3.2Å
159	P	94.8	Very high	93.1	Very high	49 Å²	49	52.7 Å²	52.7	32%	0.318	26%	0.26	S	S	.	.	H	α-helix	trans	-66.2	-34.7	-178	-22.4	36	0	0	0	113.3	N154 V157 Q163	N154-P159 VanDerWaalsContact O-CD 3.23Å; N154-P159 WeakPolarHBondContact O-CD 3.29Å; N154-P159 VanDerWaalsContact O-CG 3.3Å; N154-P159 WeakPolarHBondContact O-CG 3.46Å; V157-P159 VanDerWaalsContact C-CD 3.45Å; P159-Q163 WeakPolarHBondContact O-CG 3.37Å; P159-Q163 PolarHBondContact O-N 3.23Å; P159-Q163 PolarHBondContact O-NE2 2.89Å
160	I	91.5	Very high	93.4	Very high	23 Å²	23	56 Å²	56	12%	0.118	28%	0.277	C	S	.	.	H	α-helix	trans	-73.6	-47.8	177.5	-63.5	178.7	0	0	0	109.1	I61 F84 K156 V157 S158 K162 Q163 M164	I61-I160 HydrophobicContact CG1-CG2 4.49Å; I61-I160 HydrophobicContact CG2-CG2 4.23Å; F84-I160 HydrophobicContact CE1-CD1 4.4Å; F84-I160 HydrophobicContact CE2-CG2 4Å; F84-I160 HydrophobicContact CZ-CD1 3.97Å; F84-I160 HydrophobicContact CZ-CG2 3.78Å; K156-I160 WeakPolarHBondContact O-CD1 3.38Å; V157-I160 PolarHBondContact O-N 2.92Å; V157-I160 VanDerWaalsContact O-N 3.1Å; S158-I160 VanDerWaalsContact C-N 3.33Å; S158-I160 PolarHBondContact O-N 3.36Å; I160-K162 VanDerWaalsContact C-N 3.29Å; I160-K162 PolarHBondContact O-N 3.34Å; I160-Q163 PolarHBondContact O-N 3.11Å; I160-Q163 VanDerWaalsContact O-N 3.11Å; I160-M164 HydrophobicContact CG2-CG 4.39Å; I160-M164 HydrophobicContact CG2-SD 3.85Å; I160-M164 WeakPolarHBondContact O-CG 3.12Å; I160-M164 PolarHBondContact O-N 2.89Å
161	W	93.6	Very high	93.5	Very high	1 Å²	1	55.6 Å²	55.6	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-39.9	177.5	-79.2	14.5	0	0	0	112.4	Y136 V138 F153 V157 S158 M164 N165 V166 Y168 V198 L233 G262 L265	Y136-W161 HydrophobicContact CD2-CE3 4.46Å; Y136-W161 AromaticContact CD2-CH2 3.82Å; Y136-W161 HydrophobicContact CD2-CH2 3.82Å; Y136-W161 HydrophobicContact CD2-CZ2 4.45Å; Y136-W161 AromaticContact CD2-CZ3 3.83Å; Y136-W161 HydrophobicContact CD2-CZ3 3.83Å; Y136-W161 HydrophobicContact CE2-CH2 4.33Å; Y136-W161 HydrophobicContact CG-CH2 4.41Å; Y136-W161 HydrophobicContact CG-CZ3 4.43Å; V138-W161 HydrophobicContact CG2-CZ3 4Å; F153-W161 HydrophobicContact CE2-CE3 4.46Å; F153-W161 HydrophobicContact CE2-CZ3 4.21Å; F153-W161 HydrophobicContact CZ-CZ3 4.48Å; V157-W161 HydrophobicContact CG1-CD2 3.67Å; V157-W161 VanDerWaalsContact CG1-CE2 3.45Å; V157-W161 HydrophobicContact CG1-CE3 4.21Å; V157-W161 HydrophobicContact CG1-CG 4.02Å; V157-W161 HydrophobicContact CG1-CH2 4.35Å; V157-W161 HydrophobicContact CG1-CZ2 3.82Å; V157-W161 PolarHBondContact O-N 2.98Å; S158-W161 PolarHBondContact O-N 3.4Å; W161-M164 CarbonylContact O-C 3.47Å; W161-M164 PolarHBondContact O-N 2.82Å; W161-N165 PolarHBondContact O-N 3.28Å; W161-N165 VanDerWaalsContact O-N 3.08Å; W161-V166 HydrophobicContact CB-CB 3.93Å; W161-V166 HydrophobicContact CB-CG1 4.45Å; W161-V166 HydrophobicContact CD2-CB 4.34Å; W161-V166 HydrophobicContact CD2-CG1 3.92Å; W161-V166 HydrophobicContact CE3-CG1 4.02Å; W161-V166 HydrophobicContact CG-CB 4.02Å; W161-V166 HydrophobicContact CG-CG1 4.13Å; W161-V166 PolarHBondContact O-N 2.94Å; W161-Y168 AromaticContact CE3-CD1 3.77Å; W161-Y168 HydrophobicContact CE3-CD1 3.77Å; W161-Y168 HydrophobicContact CE3-CE1 4.45Å; W161-Y168 HydrophobicContact CE3-CG 4.13Å; W161-Y168 HydrophobicContact CZ3-CD1 4.4Å; W161-Y168 HydrophobicContact CZ3-CG 4.31Å; W161-V198 HydrophobicContact CH2-CG1 4.42Å; W161-L233 HydrophobicContact CH2-CD1 4.03Å; W161-L233 HydrophobicContact CZ2-CD1 4.25Å; W161-G262 PolarHBondContact NE1-O 2.78Å; W161-L265 HydrophobicContact CH2-CB 4.48Å; W161-L265 HydrophobicContact CH2-CD1 4.12Å; W161-L265 HydrophobicContact CZ2-CB 3.72Å; W161-L265 HydrophobicContact CZ2-CD1 3.81Å; W161-L265 HydrophobicContact CZ2-CG 4.42Å
162	K	91.5	Very high	93.7	Very high	134 Å²	134	54.6 Å²	54.6	58%	0.583	27%	0.271	S	S	*	.	H	α-helix	trans	-62.7	-41.1	174.1	-76.5	174.4	178.8	175.5	0	112.9	S158 I160 N165	S158-K162 WeakPolarHBondContact O-CB 3.44Å; S158-K162 VanDerWaalsContact O-CG 3.29Å; S158-K162 WeakPolarHBondContact O-CG 3.11Å; S158-K162 PolarHBondContact O-N 3.38Å; S158-K162 WeakPolarHBondContact OG-CE 3.44Å; I160-K162 VanDerWaalsContact C-N 3.29Å; I160-K162 PolarHBondContact O-N 3.34Å; K162-N165 PolarHBondContact O-N 2.79Å
163	Q	88	Confident	94	Very high	69 Å²	69	54 Å²	54	32%	0.322	26%	0.263	S	S	.	.	H	α-helix	trans	-70.4	-34.7	178	-71.1	177	56.8	0	0	112.1	I61 P159 I160 N165	I61-Q163 HydrophobicContact CG2-CB 4.08Å; I61-Q163 CarbonylContact O-C 3.58Å; I61-Q163 VanDerWaalsContact O-CB 3.27Å; I61-Q163 WeakPolarHBondContact O-CB 2.82Å; P159-Q163 WeakPolarHBondContact O-CG 3.37Å; P159-Q163 PolarHBondContact O-N 3.23Å; P159-Q163 PolarHBondContact O-NE2 2.89Å; I160-Q163 PolarHBondContact O-N 3.11Å; I160-Q163 VanDerWaalsContact O-N 3.11Å; Q163-N165 VanDerWaalsContact C-N 3.26Å; Q163-N165 PolarHBondContact O-N 2.97Å
164	M	87	Confident	94	Very high	1 Å²	1	61 Å²	61	1%	0.005	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	11.7	176.1	-62.6	-175.9	80.5	0	0	113.6	N58 I60 I61 F84 I160 W161 V166 T266	N58-M164 WeakPolarHBondContact O-CE 3.5Å; I60-M164 WeakPolarHBondContact O-CE 3.36Å; I61-M164 HydrophobicContact CG1-SD 4.45Å; F84-M164 HydrophobicContact CE2-SD 4Å; I160-M164 HydrophobicContact CG2-CG 4.39Å; I160-M164 HydrophobicContact CG2-SD 3.85Å; I160-M164 WeakPolarHBondContact O-CG 3.12Å; I160-M164 PolarHBondContact O-N 2.89Å; W161-M164 CarbonylContact O-C 3.47Å; W161-M164 PolarHBondContact O-N 2.82Å; M164-V166 VanDerWaalsContact C-N 3.29Å; M164-V166 HydrophobicContact CB-CG2 4.18Å; M164-V166 PolarHBondContact O-N 3.08Å; M164-T266 HydrophobicContact CE-CG2 4.46Å; M164-T266 HydrophobicContact SD-CG2 3.91Å
165	N	86.7	Confident	94	Very high	93 Å²	93	63.1 Å²	63.1	50%	0.497	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	42.5	-179.1	-63.9	-35.3	0	0	0	114.2	W161 K162 Q163 P167	W161-N165 PolarHBondContact O-N 3.28Å; W161-N165 VanDerWaalsContact O-N 3.08Å; K162-N165 PolarHBondContact O-N 2.79Å; Q163-N165 VanDerWaalsContact C-N 3.26Å; Q163-N165 PolarHBondContact O-N 2.97Å; N165-P167 WeakPolarHBondContact O-CD 3.19Å
166	V	90.6	Very high	93.9	Very high	22 Å²	22	59.9 Å²	59.9	13%	0.133	30%	0.301	C	S	.	.			trans	-92.5	102.9	174.9	178.8	0	0	0	0	109	Y136 W161 M164 T266	Y136-V166 HydrophobicContact CD2-CG1 3.61Å; Y136-V166 HydrophobicContact CE2-CG1 3.58Å; W161-V166 HydrophobicContact CB-CB 3.93Å; W161-V166 HydrophobicContact CB-CG1 4.45Å; W161-V166 HydrophobicContact CD2-CB 4.34Å; W161-V166 HydrophobicContact CD2-CG1 3.92Å; W161-V166 HydrophobicContact CE3-CG1 4.02Å; W161-V166 HydrophobicContact CG-CB 4.02Å; W161-V166 HydrophobicContact CG-CG1 4.13Å; W161-V166 PolarHBondContact O-N 2.94Å; M164-V166 VanDerWaalsContact C-N 3.29Å; M164-V166 HydrophobicContact CB-CG2 4.18Å; M164-V166 PolarHBondContact O-N 3.08Å; V166-T266 HydrophobicContact CG2-CG2 4.09Å
167	P	93.1	Very high	94.1	Very high	53 Å²	53	55.6 Å²	55.6	34%	0.344	29%	0.288	S	S	.	.			trans	-72.6	144.4	-178.9	27.8	-31.5	0	0	0	111.2	A133 P135 Y136 N165	A133-P167 HydrophobicContact CB-CG 4.34Å; A133-P167 WeakPolarHBondContact O-CG 3.4Å; P135-P167 CarbonylContact C-O 3.58Å; P135-P167 VanDerWaalsContact CA-O 3.31Å; P135-P167 WeakPolarHBondContact CA-O 3.47Å; P135-P167 HydrophobicContact CB-CB 4.13Å; P135-P167 HydrophobicContact CB-CG 4.47Å; Y136-P167 PolarHBondContact N-O 3.34Å; N165-P167 WeakPolarHBondContact O-CD 3.19Å
168	Y	96.2	Very high	94.2	Very high	59 Å²	59	56.9 Å²	56.9	23%	0.231	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	152.1	177	68.9	-89.4	0	0	0	111.8	Y136 V138 F153 S158 W161	Y136-Y168 CarbonylContact O-C 3.56Å; Y136-Y168 VanDerWaalsContact O-CA 3.23Å; Y136-Y168 WeakPolarHBondContact O-CA 3.48Å; V138-Y168 HydrophobicContact CG2-CD2 4.26Å; V138-Y168 HydrophobicContact CG2-CG 4.4Å; F153-Y168 HydrophobicContact CE1-CD2 4.22Å; F153-Y168 AromaticContact CE1-CE2 3.57Å; F153-Y168 HydrophobicContact CE1-CE2 3.57Å; F153-Y168 AromaticContact CE1-CZ 3.87Å; F153-Y168 AromaticContact CZ-CD2 3.82Å; F153-Y168 HydrophobicContact CZ-CD2 3.82Å; F153-Y168 HydrophobicContact CZ-CE1 4.37Å; F153-Y168 AromaticContact CZ-CE2 3.59Å; F153-Y168 HydrophobicContact CZ-CE2 3.59Å; F153-Y168 HydrophobicContact CZ-CG 4.33Å; F153-Y168 AromaticContact CZ-CZ 3.89Å; S158-Y168 PolarHBondContact OG-OH 3.2Å; W161-Y168 AromaticContact CE3-CD1 3.77Å; W161-Y168 HydrophobicContact CE3-CD1 3.77Å; W161-Y168 HydrophobicContact CE3-CE1 4.45Å; W161-Y168 HydrophobicContact CE3-CG 4.13Å; W161-Y168 HydrophobicContact CZ3-CD1 4.4Å; W161-Y168 HydrophobicContact CZ3-CG 4.31Å
169	E	97.4	Very high	94.3	Very high	95 Å²	95	56.7 Å²	56.7	44%	0.444	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.1	169.6	-68	-179.3	-169.7	0	0	109	Y136 V138 Y194	Y136-E169 PolarHBondContact O-N 3.25Å; V138-E169 PolarHBondContact N-O 2.93Å; E169-Y194 HydrophobicContact CB-CE1 4.23Å; E169-Y194 HydrophobicContact CG-CE1 4.29Å; E169-Y194 WeakPolarHBondContact OE2-CE1 3.07Å; E169-Y194 PolarHBondContact OE2-OH 3.41Å
170	L	97.7	Very high	94.4	Very high	72 Å²	72	55.8 Å²	55.8	38%	0.377	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.6	-175.7	-165.5	73.4	0	0	0	110.5	V138 I140 L150 F153	V138-L170 HydrophobicContact CB-CD1 3.93Å; V138-L170 HydrophobicContact CG1-CD1 3.76Å; V138-L170 WeakPolarHBondContact O-CA 3.32Å; I140-L170 HydrophobicContact CB-CD1 4.27Å; I140-L170 HydrophobicContact CG2-CD1 3.59Å; I140-L170 HydrophobicContact CG2-CD2 4.18Å; I140-L170 HydrophobicContact CG2-CG 3.83Å; L150-L170 HydrophobicContact CD1-CD2 3.87Å; F153-L170 HydrophobicContact CD1-CD1 4.44Å; F153-L170 HydrophobicContact CE1-CD1 4.16Å
171	F	98	Very high	94.7	Very high	38 Å²	38	58.4 Å²	58.4	17%	0.167	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	110	170.3	179.2	-93.7	0	0	0	109.5	L137 V138 L139 I140 T173 H178 F182	L137-F171 HydrophobicContact CD1-CB 4.33Å; V138-F171 PolarHBondContact O-N 3.39Å; L139-F171 CarbonylContact C-O 3.58Å; L139-F171 WeakPolarHBondContact CA-O 2.89Å; L139-F171 HydrophobicContact CB-CD1 4.44Å; L139-F171 HydrophobicContact CD2-CD1 3.94Å; L139-F171 HydrophobicContact CD2-CE1 4.37Å; L139-F171 HydrophobicContact CG-CB 4.23Å; L139-F171 HydrophobicContact CG-CD1 3.85Å; L139-F171 HydrophobicContact CG-CG 4.4Å; I140-F171 PolarHBondContact N-O 3.39Å; F171-T173 HydrophobicContact CD1-CG2 4.23Å; F171-T173 HydrophobicContact CE1-CG2 4.01Å; F171-H178 AromaticContact CZ-CE1 3.56Å; F171-H178 AromaticContact CZ-NE2 3.54Å; F171-F182 HydrophobicContact CD1-CD1 4.22Å; F171-F182 HydrophobicContact CD1-CE1 4.46Å; F171-F182 HydrophobicContact CD1-CG 4.43Å; F171-F182 HydrophobicContact CD2-CD1 4.36Å; F171-F182 HydrophobicContact CD2-CD2 4.01Å; F171-F182 HydrophobicContact CD2-CE1 4.12Å; F171-F182 AromaticContact CD2-CE2 3.77Å; F171-F182 HydrophobicContact CD2-CE2 3.77Å; F171-F182 HydrophobicContact CD2-CG 4.29Å; F171-F182 AromaticContact CD2-CZ 3.83Å; F171-F182 HydrophobicContact CD2-CZ 3.83Å; F171-F182 HydrophobicContact CE1-CB 3.99Å; F171-F182 HydrophobicContact CE1-CD1 4.09Å; F171-F182 HydrophobicContact CE1-CD2 4.37Å; F171-F182 AromaticContact CE1-CG 3.89Å; F171-F182 HydrophobicContact CE1-CG 3.89Å; F171-F182 HydrophobicContact CE2-CB 4.39Å; F171-F182 HydrophobicContact CE2-CD1 4.25Å; F171-F182 AromaticContact CE2-CD2 3.37Å; F171-F182 HydrophobicContact CE2-CD2 3.37Å; F171-F182 HydrophobicContact CE2-CE1 4.38Å; F171-F182 AromaticContact CE2-CE2 3.56Å; F171-F182 HydrophobicContact CE2-CE2 3.56Å; F171-F182 AromaticContact CE2-CG 3.75Å; F171-F182 HydrophobicContact CE2-CG 3.75Å; F171-F182 HydrophobicContact CE2-CZ 4.07Å; F171-F182 HydrophobicContact CG-CD1 4.33Å; F171-F182 HydrophobicContact CG-CE1 4.15Å; F171-F182 HydrophobicContact CG-CZ 4.29Å; F171-F182 HydrophobicContact CZ-CB 3.7Å; F171-F182 HydrophobicContact CZ-CD1 4.1Å; F171-F182 AromaticContact CZ-CD2 3.58Å; F171-F182 HydrophobicContact CZ-CD2 3.58Å; F171-F182 HydrophobicContact CZ-CE2 4.21Å; F171-F182 AromaticContact CZ-CG 3.51Å; F171-F182 HydrophobicContact CZ-CG 3.51Å
172	C	97.7	Very high	95	Very high	52 Å²	52	60.8 Å²	60.8	35%	0.351	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	121.2	177.1	-67.4	0	0	0	0	110.1	I140	I140-C172 HydrophobicContact CG2-CB 4.34Å; I140-C172 CarbonylContact O-C 3.54Å; I140-C172 WeakPolarHBondContact O-CA 3.44Å
173	T	98	Very high	95.2	Very high	6 Å²	6	54.4 Å²	54.4	4%	0.037	28%	0.28	C	S	.	.			trans	-75	156.6	172.4	70.3	0	0	0	0	111	I140 N141 P142 F171 A179 L205	I140-T173 PolarHBondContact O-N 3.35Å; N141-T173 VanDerWaalsContact CA-OG1 3.24Å; N141-T173 WeakPolarHBondContact CA-OG1 3.32Å; N141-T173 VanDerWaalsContact CB-OG1 3.26Å; N141-T173 WeakPolarHBondContact CB-OG1 3.44Å; P142-T173 WeakPolarHBondContact CD-O 3.37Å; F171-T173 HydrophobicContact CD1-CG2 4.23Å; F171-T173 HydrophobicContact CE1-CG2 4.01Å; T173-A179 HydrophobicContact CG2-CB 3.94Å; T173-L205 HydrophobicContact CG2-CD1 3.95Å
174	E	96.2	Very high	95.6	Very high	149 Å²	149	53.6 Å²	53.6	70%	0.696	28%	0.278	S	S	*	.			trans	-124	-30.5	-169.7	-64	-175.7	176.4	0	0	112.1	H178	E174-H178 PolarHBondContact N-ND1 2.7Å
175	Y	95.5	Very high	96.1	Very high	112 Å²	112	59.3 Å²	59.3	44%	0.439	31%	0.308	S	S	.	.	S	Bend	trans	-148.2	162.5	-178	54.5	-91.4	0	0	0	110.7	H178	Y175-H178 HydrophobicContact CD1-CB 4.22Å; Y175-H178 HydrophobicContact CD2-CB 3.92Å; Y175-H178 HydrophobicContact CE1-CB 4.01Å; Y175-H178 AromaticContact CE1-CD2 3.88Å; Y175-H178 AromaticContact CE1-CG 3.71Å; Y175-H178 AromaticContact CE1-ND1 3.94Å; Y175-H178 HydrophobicContact CE2-CB 3.71Å; Y175-H178 HydrophobicContact CG-CB 4.16Å; Y175-H178 AromaticContact CZ-CD2 3.6Å; Y175-H178 AromaticContact CZ-CG 3.67Å; Y175-H178 WeakPolarHBondContact O-CB 3.41Å; Y175-H178 PolarHBondContact O-N 3.3Å; Y175-H178 PolarHBondContact OH-CD2 3.34Å; Y175-H178 VanDerWaalsContact OH-CD2 3.29Å
176	P	93.4	Very high	96.4	Very high	118 Å²	118	55.6 Å²	55.6	77%	0.766	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	134.3	175.5	-23.2	34.5	0	0	0	112.3	H178	P176-H178 VanDerWaalsContact C-N 3.29Å
177	G	96	Very high	96.6	Very high	16 Å²	16	58 Å²	58	17%	0.165	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	3.2	-176.6	0	0	0	0	0	114.4	N181 E208	G177-N181 WeakPolarHBondContact O-CB 3.18Å; G177-N181 PolarHBondContact O-N 2.99Å; G177-N181 VanDerWaalsContact O-N 3.11Å; G177-N181 PolarHBondContact O-ND2 3.11Å; G177-E208 VanDerWaalsContact CA-CD 3.43Å; G177-E208 WeakPolarHBondContact CA-OE2 3.44Å; G177-E208 PolarHBondContact N-OE1 3.27Å; G177-E208 PolarHBondContact N-OE2 3.36Å
178	H	98.4	Very high	96.5	Very high	28 Å²	28	58 Å²	58	13%	0.13	30%	0.299	C	S	.	.	H	α-helix	trans	-66.3	-39.7	178.1	-171	-168.4	0	0	0	111.4	F171 E174 Y175 P176 F182 E208	F171-H178 AromaticContact CZ-CE1 3.56Å; F171-H178 AromaticContact CZ-NE2 3.54Å; E174-H178 PolarHBondContact N-ND1 2.7Å; Y175-H178 HydrophobicContact CD1-CB 4.22Å; Y175-H178 HydrophobicContact CD2-CB 3.92Å; Y175-H178 HydrophobicContact CE1-CB 4.01Å; Y175-H178 AromaticContact CE1-CD2 3.88Å; Y175-H178 AromaticContact CE1-CG 3.71Å; Y175-H178 AromaticContact CE1-ND1 3.94Å; Y175-H178 HydrophobicContact CE2-CB 3.71Å; Y175-H178 HydrophobicContact CG-CB 4.16Å; Y175-H178 AromaticContact CZ-CD2 3.6Å; Y175-H178 AromaticContact CZ-CG 3.67Å; Y175-H178 WeakPolarHBondContact O-CB 3.41Å; Y175-H178 PolarHBondContact O-N 3.3Å; Y175-H178 PolarHBondContact OH-CD2 3.34Å; Y175-H178 VanDerWaalsContact OH-CD2 3.29Å; P176-H178 VanDerWaalsContact C-N 3.29Å; H178-F182 VanDerWaalsContact O-CB 3.23Å; H178-F182 WeakPolarHBondContact O-CB 3.48Å; H178-F182 PolarHBondContact O-N 3.47Å; H178-E208 PolarHBondContact N-OE2 3.03Å
179	A	98.3	Very high	96.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-69.2	-40.9	179.6	0	0	0	0	0	111.3	L139 T173 F182 I183 L205 E208 V209	L139-A179 HydrophobicContact CD2-CB 3.49Å; L139-A179 VanDerWaalsContact CD2-CB 3.49Å; T173-A179 HydrophobicContact CG2-CB 3.94Å; A179-F182 PolarHBondContact O-N 3.48Å; A179-I183 WeakPolarHBondContact O-CB 3.27Å; A179-I183 VanDerWaalsContact O-CG1 3.29Å; A179-I183 WeakPolarHBondContact O-CG1 3.36Å; A179-I183 PolarHBondContact O-N 3.11Å; A179-L205 HydrophobicContact CB-CD1 3.48Å; A179-L205 VanDerWaalsContact CB-CD1 3.48Å; A179-E208 HydrophobicContact CB-CB 4.04Å; A179-E208 WeakPolarHBondContact CB-OE2 3.32Å; A179-E208 PolarHBondContact N-OE2 3.08Å; A179-V209 HydrophobicContact CB-CG2 4.33Å
180	E	98.1	Very high	95.9	Very high	31 Å²	31	56.6 Å²	56.6	15%	0.145	31%	0.308	C	S	.	.	H	α-helix	trans	-57	-53.8	175.4	-176.4	173.3	161.8	0	0	110.7	F182 I183 I184 E208 N211	E180-F182 VanDerWaalsContact C-N 3.34Å; E180-F182 PolarHBondContact O-N 2.77Å; E180-I183 PolarHBondContact O-N 2.81Å; E180-I184 HydrophobicContact CG-CD1 3.92Å; E180-I184 VanDerWaalsContact O-CG1 3.3Å; E180-I184 WeakPolarHBondContact O-CG1 3.5Å; E180-I184 PolarHBondContact O-N 2.87Å; E180-E208 WeakPolarHBondContact CA-O 3.35Å; E180-E208 HydrophobicContact CB-CB 4.08Å; E180-E208 HydrophobicContact CB-CG 4.4Å; E180-E208 WeakPolarHBondContact CB-O 3.38Å; E180-E208 PolarHBondContact N-OE2 3.1Å; E180-N211 HydrophobicContact CG-CB 4.45Å
181	N	98.3	Very high	95.6	Very high	77 Å²	77	53.1 Å²	53.1	41%	0.412	29%	0.29	S	S	.	.	H	α-helix	trans	-61	-40.8	178.2	-75.6	-52.8	0	0	0	112.7	G177 I184 N185	G177-N181 WeakPolarHBondContact O-CB 3.18Å; G177-N181 PolarHBondContact O-N 2.99Å; G177-N181 VanDerWaalsContact O-N 3.11Å; G177-N181 PolarHBondContact O-ND2 3.11Å; N181-I184 PolarHBondContact O-N 2.67Å; N181-N185 WeakPolarHBondContact O-CB 3.34Å; N181-N185 PolarHBondContact O-N 3.22Å; N181-N185 VanDerWaalsContact O-N 3.14Å; N181-N185 PolarHBondContact O-ND2 3.05Å
182	F	98.3	Very high	95.1	Very high	51 Å²	51	53.1 Å²	53.1	22%	0.224	29%	0.291	C	S	.	.	H	α-helix	trans	-61.9	-47.5	177.4	173.6	-103.7	0	0	0	111.4	L137 L139 F171 H178 A179 E180 N185 L186	L137-F182 HydrophobicContact CD1-CE1 4.4Å; L137-F182 HydrophobicContact CD2-CE1 4Å; L139-F182 HydrophobicContact CD2-CD1 4.07Å; F171-F182 HydrophobicContact CD1-CD1 4.22Å; F171-F182 HydrophobicContact CD1-CE1 4.46Å; F171-F182 HydrophobicContact CD1-CG 4.43Å; F171-F182 HydrophobicContact CD2-CD1 4.36Å; F171-F182 HydrophobicContact CD2-CD2 4.01Å; F171-F182 HydrophobicContact CD2-CE1 4.12Å; F171-F182 AromaticContact CD2-CE2 3.77Å; F171-F182 HydrophobicContact CD2-CE2 3.77Å; F171-F182 HydrophobicContact CD2-CG 4.29Å; F171-F182 AromaticContact CD2-CZ 3.83Å; F171-F182 HydrophobicContact CD2-CZ 3.83Å; F171-F182 HydrophobicContact CE1-CB 3.99Å; F171-F182 HydrophobicContact CE1-CD1 4.09Å; F171-F182 HydrophobicContact CE1-CD2 4.37Å; F171-F182 AromaticContact CE1-CG 3.89Å; F171-F182 HydrophobicContact CE1-CG 3.89Å; F171-F182 HydrophobicContact CE2-CB 4.39Å; F171-F182 HydrophobicContact CE2-CD1 4.25Å; F171-F182 AromaticContact CE2-CD2 3.37Å; F171-F182 HydrophobicContact CE2-CD2 3.37Å; F171-F182 HydrophobicContact CE2-CE1 4.38Å; F171-F182 AromaticContact CE2-CE2 3.56Å; F171-F182 HydrophobicContact CE2-CE2 3.56Å; F171-F182 AromaticContact CE2-CG 3.75Å; F171-F182 HydrophobicContact CE2-CG 3.75Å; F171-F182 HydrophobicContact CE2-CZ 4.07Å; F171-F182 HydrophobicContact CG-CD1 4.33Å; F171-F182 HydrophobicContact CG-CE1 4.15Å; F171-F182 HydrophobicContact CG-CZ 4.29Å; F171-F182 HydrophobicContact CZ-CB 3.7Å; F171-F182 HydrophobicContact CZ-CD1 4.1Å; F171-F182 AromaticContact CZ-CD2 3.58Å; F171-F182 HydrophobicContact CZ-CD2 3.58Å; F171-F182 HydrophobicContact CZ-CE2 4.21Å; F171-F182 AromaticContact CZ-CG 3.51Å; F171-F182 HydrophobicContact CZ-CG 3.51Å; H178-F182 VanDerWaalsContact O-CB 3.23Å; H178-F182 WeakPolarHBondContact O-CB 3.48Å; H178-F182 PolarHBondContact O-N 3.47Å; A179-F182 PolarHBondContact O-N 3.48Å; E180-F182 VanDerWaalsContact C-N 3.34Å; E180-F182 PolarHBondContact O-N 2.77Å; F182-N185 PolarHBondContact O-N 3.25Å; F182-L186 HydrophobicContact CE1-CD2 4.41Å; F182-L186 HydrophobicContact CE2-CD1 4.44Å; F182-L186 HydrophobicContact CZ-CD1 4.14Å; F182-L186 WeakPolarHBondContact O-CB 3.48Å; F182-L186 PolarHBondContact O-N 3.34Å
183	I	97	Very high	94.8	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.8	-38.2	179.5	-66	-58.7	0	0	0	111.6	L137 L139 A179 E180 N185 I197 V209 L213 R216	L137-I183 HydrophobicContact CD2-CD1 4.46Å; L139-I183 HydrophobicContact CD1-CD1 4.3Å; L139-I183 HydrophobicContact CD2-CD1 4.28Å; L139-I183 HydrophobicContact CD2-CG1 4.24Å; A179-I183 WeakPolarHBondContact O-CB 3.27Å; A179-I183 VanDerWaalsContact O-CG1 3.29Å; A179-I183 WeakPolarHBondContact O-CG1 3.36Å; A179-I183 PolarHBondContact O-N 3.11Å; E180-I183 PolarHBondContact O-N 2.81Å; I183-N185 VanDerWaalsContact C-N 3.32Å; I183-N185 PolarHBondContact O-N 3.39Å; I183-I197 HydrophobicContact CD1-CD1 3.81Å; I183-I197 HydrophobicContact CD1-CG1 4.39Å; I183-V209 HydrophobicContact CG1-CG2 4.39Å; I183-L213 HydrophobicContact CG2-CB 4.5Å; I183-L213 HydrophobicContact CG2-CD2 3.83Å; I183-L213 HydrophobicContact CG2-CG 3.85Å; I183-R216 PolarHBondContact O-NH1 3.18Å
184	I	96	Very high	94.5	Very high	52 Å²	52	59 Å²	59	27%	0.267	31%	0.306	S	S	.	.	H	α-helix	trans	-59.6	-44.8	175.7	-71.2	166.6	0	0	0	110.9	E180 N181 G212 R216	E180-I184 HydrophobicContact CG-CD1 3.92Å; E180-I184 VanDerWaalsContact O-CG1 3.3Å; E180-I184 WeakPolarHBondContact O-CG1 3.5Å; E180-I184 PolarHBondContact O-N 2.87Å; N181-I184 PolarHBondContact O-N 2.67Å; I184-G212 WeakPolarHBondContact CG1-O 3.22Å; I184-R216 PolarHBondContact O-NH1 2.95Å
185	N	96.3	Very high	94.3	Very high	121 Å²	121	55 Å²	55	65%	0.647	28%	0.284	S	S	*	.	H	α-helix	trans	-88.6	-7.1	-172.1	-67.4	-63.2	0	0	0	114.1	N181 F182 I183 P187	N181-N185 WeakPolarHBondContact O-CB 3.34Å; N181-N185 PolarHBondContact O-N 3.22Å; N181-N185 VanDerWaalsContact O-N 3.14Å; N181-N185 PolarHBondContact O-ND2 3.05Å; F182-N185 PolarHBondContact O-N 3.25Å; I183-N185 VanDerWaalsContact C-N 3.32Å; I183-N185 PolarHBondContact O-N 3.39Å; N185-P187 WeakPolarHBondContact O-CD 3.49Å
186	L	94.9	Very high	94.2	Very high	16 Å²	16	49.6 Å²	49.6	8%	0.084	26%	0.263	C	S	.	.	S	Bend	trans	-68.3	124.2	179	-170.4	64.1	0	0	0	110.3	L137 F182 N190 L191 R216	L137-L186 HydrophobicContact CD2-CD2 4.04Å; F182-L186 HydrophobicContact CE1-CD2 4.41Å; F182-L186 HydrophobicContact CE2-CD1 4.44Å; F182-L186 HydrophobicContact CZ-CD1 4.14Å; F182-L186 WeakPolarHBondContact O-CB 3.48Å; F182-L186 PolarHBondContact O-N 3.34Å; L186-N190 HydrophobicContact CD1-CB 3.87Å; L186-N190 HydrophobicContact CG-CB 4.16Å; L186-L191 HydrophobicContact CD2-CB 3.97Å; L186-L191 HydrophobicContact CD2-CD1 4.14Å; L186-L191 HydrophobicContact CG-CB 4.31Å; L186-R216 VanDerWaalsContact O-CZ 3.22Å; L186-R216 PolarHBondContact O-NH1 3.11Å; L186-R216 PolarHBondContact O-NH2 3.47Å
187	P	93.3	Very high	94.3	Very high	71 Å²	71	44 Å²	44	46%	0.461	23%	0.226	S	C	.	.			trans	-60.5	143	178.7	-26	35.8	0	0	0	112.5	N185 A189 N190 L191	N185-P187 WeakPolarHBondContact O-CD 3.49Å; P187-A189 PolarHBondContact O-N 2.8Å; P187-A189 VanDerWaalsContact O-N 3.15Å; P187-N190 WeakPolarHBondContact O-CB 3.06Å; P187-N190 PolarHBondContact O-N 3.18Å; P187-L191 PolarHBondContact O-N 3.14Å
188	K	90.7	Very high	94.4	Very high	54 Å²	54	43.2 Å²	43.2	24%	0.235	22%	0.219	C	C	.	.	H	α-helix	trans	-46.1	-47.8	176.8	-168.8	178.7	-177.2	-170.5	0	111.9	N190 L191 L192 D218 D221 V222 E225	K188-N190 PolarHBondContact O-N 2.91Å; K188-L191 WeakPolarHBondContact O-CB 3.5Å; K188-L191 PolarHBondContact O-N 3.48Å; K188-L191 VanDerWaalsContact O-N 3.17Å; K188-L192 HydrophobicContact CD-CD1 4.45Å; K188-L192 HydrophobicContact CG-CD1 3.99Å; K188-L192 HydrophobicContact CG-CG 4.24Å; K188-L192 WeakPolarHBondContact O-CG 3.46Å; K188-L192 PolarHBondContact O-N 3.5Å; K188-D218 WeakPolarHBondContact CB-OD2 3.48Å; K188-D221 WeakPolarHBondContact CE-O 3.48Å; K188-D221 PolarHBondContact NZ-O 3.35Å; K188-V222 HydrophobicContact CD-CG2 4.29Å; K188-V222 HydrophobicContact CG-CG2 3.97Å; K188-E225 IonicContact NZ-OE2 3.72Å
189	A	90.1	Very high	94.4	Very high	68 Å²	68	42 Å²	42	56%	0.562	21%	0.213	S	C	*	.	H	α-helix	trans	-63.8	-23.1	-179	0	0	0	0	0	114.4	P187 R193	P187-A189 PolarHBondContact O-N 2.8Å; P187-A189 VanDerWaalsContact O-N 3.15Å; A189-R193 VanDerWaalsContact O-CG 3.29Å; A189-R193 WeakPolarHBondContact O-CG 3.45Å; A189-R193 PolarHBondContact O-NE 3.23Å
190	N	91.7	Very high	94.3	Very high	56 Å²	56	42 Å²	42	30%	0.299	21%	0.213	S	C	.	.	H	α-helix	trans	-85.5	-42.5	173.5	-72	14.5	0	0	0	110.3	L186 P187 K188 L192 R193 Y194	L186-N190 HydrophobicContact CD1-CB 3.87Å; L186-N190 HydrophobicContact CG-CB 4.16Å; P187-N190 WeakPolarHBondContact O-CB 3.06Å; P187-N190 PolarHBondContact O-N 3.18Å; K188-N190 PolarHBondContact O-N 2.91Å; N190-L192 VanDerWaalsContact C-N 3.33Å; N190-L192 PolarHBondContact O-N 3.21Å; N190-R193 VanDerWaalsContact O-CB 3.3Å; N190-R193 WeakPolarHBondContact O-CB 3.42Å; N190-R193 WeakPolarHBondContact O-CG 3.17Å; N190-R193 PolarHBondContact O-N 3.43Å; N190-R193 VanDerWaalsContact O-N 3.13Å; N190-Y194 WeakPolarHBondContact O-CD2 3.43Å; N190-Y194 WeakPolarHBondContact O-CE2 3.3Å
191	L	90.8	Very high	94.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.7	-44.7	177.7	177.5	56.4	0	0	0	111.1	L186 P187 K188 R193 Y194 I197 L213 V222 I228	L186-L191 HydrophobicContact CD2-CB 3.97Å; L186-L191 HydrophobicContact CD2-CD1 4.14Å; L186-L191 HydrophobicContact CG-CB 4.31Å; P187-L191 PolarHBondContact O-N 3.14Å; K188-L191 WeakPolarHBondContact O-CB 3.5Å; K188-L191 PolarHBondContact O-N 3.48Å; K188-L191 VanDerWaalsContact O-N 3.17Å; L191-R193 PolarHBondContact O-N 2.9Å; L191-R193 VanDerWaalsContact O-N 3.16Å; L191-Y194 PolarHBondContact O-N 3.2Å; L191-I197 HydrophobicContact CD1-CD1 3.7Å; L191-I197 HydrophobicContact CD1-CG1 4.14Å; L191-L213 HydrophobicContact CD2-CD2 4.28Å; L191-V222 HydrophobicContact CD2-CG1 4.16Å; L191-V222 HydrophobicContact CD2-CG2 4.34Å; L191-I228 VanDerWaalsContact C-CD1 3.49Å; L191-I228 HydrophobicContact CB-CD1 4.26Å; L191-I228 HydrophobicContact CD1-CD1 3.49Å; L191-I228 VanDerWaalsContact CD1-CD1 3.49Å; L191-I228 HydrophobicContact CD1-CG2 4.45Å; L191-I228 HydrophobicContact CD2-CD1 4.14Å; L191-I228 HydrophobicContact CG-CD1 3.29Å; L191-I228 WeakPolarHBondContact O-CD1 3.35Å
192	L	88.8	Confident	93.9	Very high	37 Å²	37	37.3 Å²	37.3	19%	0.194	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.9	177.5	-67.7	179.8	0	0	0	115.6	K134 K188 N190 Y194 D226 I228	K134-L192 PolarHBondContact NZ-O 2.89Å; K188-L192 HydrophobicContact CD-CD1 4.45Å; K188-L192 HydrophobicContact CG-CD1 3.99Å; K188-L192 HydrophobicContact CG-CG 4.24Å; K188-L192 WeakPolarHBondContact O-CG 3.46Å; K188-L192 PolarHBondContact O-N 3.5Å; N190-L192 VanDerWaalsContact C-N 3.33Å; N190-L192 PolarHBondContact O-N 3.21Å; L192-Y194 VanDerWaalsContact C-N 3.25Å; L192-D226 HydrophobicContact CD2-CB 3.44Å; L192-D226 VanDerWaalsContact CD2-CB 3.44Å; L192-I228 HydrophobicContact CD2-CD1 4.12Å
193	R	91	Very high	93.6	Very high	155 Å²	155	35.6 Å²	35.6	59%	0.585	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-22.7	174	-59.8	177.1	-174.1	-165.5	-2.4	111.9	K134 A189 N190 L191	K134-R193 WeakPolarHBondContact CB-O 3.19Å; K134-R193 WeakPolarHBondContact CG-O 3.38Å; A189-R193 VanDerWaalsContact O-CG 3.29Å; A189-R193 WeakPolarHBondContact O-CG 3.45Å; A189-R193 PolarHBondContact O-NE 3.23Å; N190-R193 VanDerWaalsContact O-CB 3.3Å; N190-R193 WeakPolarHBondContact O-CB 3.42Å; N190-R193 WeakPolarHBondContact O-CG 3.17Å; N190-R193 PolarHBondContact O-N 3.43Å; N190-R193 VanDerWaalsContact O-N 3.13Å; L191-R193 PolarHBondContact O-N 2.9Å; L191-R193 VanDerWaalsContact O-N 3.16Å
194	Y	92.6	Very high	93.5	Very high	28 Å²	28	36.2 Å²	36.2	11%	0.11	19%	0.19	C	C	.	.	S	Bend	trans	-90.2	148.6	-176.4	-59.7	-70.9	0	0	0	111.6	P135 L137 E169 N190 L191 L192	P135-Y194 HydrophobicContact CB-CD1 4.4Å; P135-Y194 HydrophobicContact CG-CD1 3.91Å; P135-Y194 HydrophobicContact CG-CE1 4.16Å; P135-Y194 CarbonylContact O-C 3.35Å; P135-Y194 VanDerWaalsContact O-CA 3.26Å; P135-Y194 WeakPolarHBondContact O-CA 3.19Å; L137-Y194 HydrophobicContact CB-CD1 3.57Å; L137-Y194 HydrophobicContact CB-CD2 3.82Å; L137-Y194 HydrophobicContact CB-CE1 3.81Å; L137-Y194 HydrophobicContact CB-CE2 4.04Å; L137-Y194 HydrophobicContact CB-CG 3.57Å; L137-Y194 HydrophobicContact CD1-CE1 4.33Å; L137-Y194 HydrophobicContact CD1-CE2 4.35Å; L137-Y194 HydrophobicContact CD2-CD2 3.9Å; L137-Y194 HydrophobicContact CD2-CE2 3.78Å; L137-Y194 HydrophobicContact CD2-CG 4.5Å; L137-Y194 HydrophobicContact CG-CD2 4.41Å; L137-Y194 HydrophobicContact CG-CE2 4.27Å; E169-Y194 HydrophobicContact CB-CE1 4.23Å; E169-Y194 HydrophobicContact CG-CE1 4.29Å; E169-Y194 WeakPolarHBondContact OE2-CE1 3.07Å; E169-Y194 PolarHBondContact OE2-OH 3.41Å; N190-Y194 WeakPolarHBondContact O-CD2 3.43Å; N190-Y194 WeakPolarHBondContact O-CE2 3.3Å; L191-Y194 PolarHBondContact O-N 3.2Å; L192-Y194 VanDerWaalsContact C-N 3.25Å
195	R	90.2	Very high	93.5	Very high	63 Å²	63	34.1 Å²	34.1	24%	0.238	18%	0.18	C	C	.	.	S	Bend	trans	-70.5	-38.7	173.1	174.1	177.2	174.1	86.6	-10.1	112.1	K134 P135 Y136 L267 I269	K134-R195 HydrophobicContact CB-CB 3.88Å; K134-R195 VanDerWaalsContact O-CB 3.29Å; K134-R195 WeakPolarHBondContact O-CB 3.46Å; P135-R195 PolarHBondContact O-N 3.16Å; Y136-R195 HydrophobicContact CD1-CB 4.18Å; Y136-R195 HydrophobicContact CD1-CG 4.28Å; Y136-R195 HydrophobicContact CE1-CB 4.12Å; Y136-R195 HydrophobicContact CE1-CG 3.71Å; Y136-R195 PolarHBondContact OH-NE 3.23Å; R195-L267 PolarHBondContact NH2-O 2.81Å; R195-I269 HydrophobicContact CG-CD1 3.75Å; R195-I269 VanDerWaalsContact CZ-CD1 3.42Å; R195-I269 VanDerWaalsContact NE-CD1 3.33Å; R195-I269 VanDerWaalsContact NH2-CG1 3.34Å; R195-I269 VanDerWaalsContact NH2-N 3.18Å
196	A	93.5	Very high	93.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	158.1	178.7	0	0	0	0	0	108.9	Y136 L137 P229 I545	Y136-A196 HydrophobicContact CD1-CB 3.63Å; Y136-A196 HydrophobicContact CE1-CB 3.47Å; Y136-A196 VanDerWaalsContact CE1-CB 3.47Å; L137-A196 PolarHBondContact N-O 3.43Å; L137-A196 VanDerWaalsContact N-O 3.11Å; A196-P229 WeakPolarHBondContact CA-O 3.39Å; A196-P229 HydrophobicContact CB-CG 3.86Å; A196-P229 VanDerWaalsContact CB-O 3.25Å; A196-P229 WeakPolarHBondContact CB-O 3.48Å; A196-I545 HydrophobicContact CB-CD1 3.8Å
197	I	96.6	Very high	93.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	122.8	162.6	-65.2	162.4	0	0	0	107.5	L137 L139 I183 L191 V209 L213 I228 P229 I230 G231	L137-I197 HydrophobicContact CD2-CG1 4.34Å; L139-I197 HydrophobicContact CD1-CG2 3.48Å; L139-I197 VanDerWaalsContact CD1-CG2 3.48Å; I183-I197 HydrophobicContact CD1-CD1 3.81Å; I183-I197 HydrophobicContact CD1-CG1 4.39Å; L191-I197 HydrophobicContact CD1-CD1 3.7Å; L191-I197 HydrophobicContact CD1-CG1 4.14Å; I197-V209 HydrophobicContact CB-CG1 4.5Å; I197-V209 HydrophobicContact CD1-CG1 4.41Å; I197-V209 HydrophobicContact CG2-CG1 3.78Å; I197-V209 HydrophobicContact CG2-CG2 4.35Å; I197-L213 HydrophobicContact CD1-CD1 4.19Å; I197-L213 HydrophobicContact CD1-CD2 3.92Å; I197-L213 HydrophobicContact CD1-CG 4.29Å; I197-I228 HydrophobicContact CD1-CG2 4.13Å; I197-I228 HydrophobicContact CG1-CG2 3.9Å; I197-P229 PolarHBondContact N-O 2.63Å; I197-I230 CarbonylContact O-C 3.55Å; I197-I230 VanDerWaalsContact O-CA 3.24Å; I197-I230 WeakPolarHBondContact O-CA 3.21Å; I197-G231 PolarHBondContact O-N 2.96Å
198	V	98	Very high	93.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.7	178	-179.9	0	0	0	0	109.2	Y136 L137 V138 L139 W161 G231 L233 L265	Y136-V198 HydrophobicContact CD1-CG2 3.49Å; Y136-V198 VanDerWaalsContact CD1-CG2 3.49Å; Y136-V198 HydrophobicContact CE1-CG2 4.1Å; Y136-V198 HydrophobicContact CG-CG2 3.74Å; L137-V198 PolarHBondContact O-N 3.37Å; V138-V198 CarbonylContact C-O 3.43Å; V138-V198 VanDerWaalsContact CA-O 3.29Å; V138-V198 WeakPolarHBondContact CA-O 3.41Å; V138-V198 HydrophobicContact CG2-CB 4.13Å; L139-V198 PolarHBondContact N-O 2.87Å; W161-V198 HydrophobicContact CH2-CG1 4.42Å; V198-G231 CarbonylContact C-O 3.56Å; V198-G231 WeakPolarHBondContact CA-O 3.29Å; V198-L233 HydrophobicContact CG1-CD1 3.71Å; V198-L233 HydrophobicContact CG1-CG 3.79Å; V198-L265 HydrophobicContact CG1-CD1 3.87Å; V198-L265 HydrophobicContact CG2-CD1 4.31Å
199	T	97.9	Very high	94.1	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	137.1	169.5	58	0	0	0	0	109.7	L139 L205 V206 V209 G231 L233	L139-T199 CarbonylContact O-C 3.27Å; T199-L205 HydrophobicContact CG2-CG 4.23Å; T199-V206 HydrophobicContact CG2-CG2 4.32Å; T199-V206 WeakPolarHBondContact OG1-CG2 3.31Å; T199-V209 HydrophobicContact CG2-CB 4.19Å; T199-V209 HydrophobicContact CG2-CG2 3.74Å; T199-G231 PolarHBondContact N-O 3.44Å; T199-G231 PolarHBondContact OG1-O 3.17Å; T199-L233 WeakPolarHBondContact O-CA 3.46Å; T199-L233 WeakPolarHBondContact O-CB 3.3Å; T199-L233 PolarHBondContact O-N 2.83Å
200	C	96.8	Very high	94.3	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	72.1	176.2	-173.4	0	0	0	0	111.1	V138 L139 I140 L233	V138-C200 HydrophobicContact CG1-CB 3.96Å; L139-C200 PolarHBondContact O-N 3.08Å; I140-C200 HydrophobicContact CB-CB 4.23Å; I140-C200 HydrophobicContact CD1-CB 3.92Å; I140-C200 HydrophobicContact CG1-CB 4.21Å; I140-C200 WeakPolarHBondContact CG1-O 3.19Å; C200-L233 CarbonylContact C-O 3.56Å; C200-L233 VanDerWaalsContact CA-O 3.25Å; C200-L233 WeakPolarHBondContact CA-O 3.48Å; C200-L233 HydrophobicContact CB-CB 3.97Å; C200-L233 HydrophobicContact CB-CD1 4.25Å
201	S	94.7	Very high	94.5	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.028	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	-157.3	-173.2	-75.4	0	0	0	0	110.4	N141 L205 L233 G235 G236 N239	N141-S201 WeakPolarHBondContact CB-OG 3.45Å; N141-S201 PolarHBondContact N-OG 3.1Å; N141-S201 PolarHBondContact O-OG 2.56Å; S201-L205 WeakPolarHBondContact OG-CD2 3.44Å; S201-L233 PolarHBondContact N-O 3.41Å; S201-L233 VanDerWaalsContact N-O 3.11Å; S201-G235 PolarHBondContact O-N 3.25Å; S201-G236 VanDerWaalsContact C-N 3.3Å; S201-G236 PolarHBondContact O-N 2.58Å; S201-N239 PolarHBondContact O-OD1 3.21Å
202	G	92.6	Very high	94.8	Very high	5 Å²	5	18.1 Å²	18.1	5%	0.052	8%	0.082	C	C	.	.	S	Bend	trans	-82.9	-178.9	166.6	0	0	0	0	0	113.4	S144 G204 L205	S144-G202 PolarHBondContact OG-N 3.29Å; S144-G202 VanDerWaalsContact OG-N 3.13Å; G202-G204 PolarHBondContact O-N 2.84Å; G202-L205 PolarHBondContact O-N 3.45Å; G202-L205 VanDerWaalsContact O-N 3.12Å
203	D	93.2	Very high	95	Very high	15 Å²	15	17 Å²	17	8%	0.08	8%	0.075	C	C	.	.	H	α-helix	trans	-58.2	-30.8	-176.3	-53.3	-74.6	0	0	0	113.1	L205 V206 Y207 N239 S240 T241	D203-L205 VanDerWaalsContact C-N 3.28Å; D203-L205 PolarHBondContact O-N 2.95Å; D203-V206 WeakPolarHBondContact O-CA 3.26Å; D203-V206 WeakPolarHBondContact O-CB 3.34Å; D203-V206 PolarHBondContact O-N 3.36Å; D203-Y207 PolarHBondContact O-N 3.13Å; D203-N239 WeakPolarHBondContact OD2-CA 3.28Å; D203-N239 PolarHBondContact OD2-N 3.13Å; D203-S240 PolarHBondContact OD1-N 3.35Å; D203-S240 PolarHBondContact OD2-N 3.07Å; D203-T241 WeakPolarHBondContact OD1-CB 3.22Å; D203-T241 PolarHBondContact OD1-N 3.5Å; D203-T241 VanDerWaalsContact OD1-N 3.08Å; D203-T241 PolarHBondContact OD1-OG1 3.33Å
204	G	94	Very high	95	Very high	14 Å²	14	10.6 Å²	10.6	14%	0.144	5%	0.053	C	C	.	.	H	α-helix	trans	-60	-29.8	176	0	0	0	0	0	115	G202 Y207 E208	G202-G204 PolarHBondContact O-N 2.84Å; G204-Y207 WeakPolarHBondContact O-CB 3.35Å; G204-Y207 PolarHBondContact O-N 2.74Å; G204-E208 PolarHBondContact O-N 2.94Å
205	L	96.2	Very high	95	Very high	8 Å²	8	12.3 Å²	12.3	4%	0.042	7%	0.069	C	C	.	.	H	α-helix	trans	-74.8	-30.3	173.8	-169.5	65.6	0	0	0	111.6	L139 T173 A179 T199 S201 G202 D203 Y207 V209	L139-L205 HydrophobicContact CB-CD2 4.26Å; L139-L205 VanDerWaalsContact O-CD2 3.3Å; L139-L205 WeakPolarHBondContact O-CD2 3.23Å; T173-L205 HydrophobicContact CG2-CD1 3.95Å; A179-L205 HydrophobicContact CB-CD1 3.48Å; A179-L205 VanDerWaalsContact CB-CD1 3.48Å; T199-L205 HydrophobicContact CG2-CG 4.23Å; S201-L205 WeakPolarHBondContact OG-CD2 3.44Å; G202-L205 PolarHBondContact O-N 3.45Å; G202-L205 VanDerWaalsContact O-N 3.12Å; D203-L205 VanDerWaalsContact C-N 3.28Å; D203-L205 PolarHBondContact O-N 2.95Å; L205-Y207 VanDerWaalsContact C-N 3.35Å; L205-V209 WeakPolarHBondContact O-CG2 3.49Å; L205-V209 PolarHBondContact O-N 3.01Å; L205-V209 VanDerWaalsContact O-N 3.11Å
206	V	96.2	Very high	95.1	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.018	6%	0.06	C	C	.	.	H	α-helix	trans	-64.2	-46.1	171.6	-173.5	0	0	0	0	109.1	T199 D203 E208 V209 I210 I232 I317	T199-V206 HydrophobicContact CG2-CG2 4.32Å; T199-V206 WeakPolarHBondContact OG1-CG2 3.31Å; D203-V206 WeakPolarHBondContact O-CA 3.26Å; D203-V206 WeakPolarHBondContact O-CB 3.34Å; D203-V206 PolarHBondContact O-N 3.36Å; V206-E208 PolarHBondContact O-N 3.06Å; V206-V209 PolarHBondContact O-N 3.35Å; V206-I210 HydrophobicContact CG1-CD1 3.68Å; V206-I210 HydrophobicContact CG1-CG1 4.37Å; V206-I210 WeakPolarHBondContact O-CD1 3.19Å; V206-I210 WeakPolarHBondContact O-CG1 3.34Å; V206-I210 PolarHBondContact O-N 3.48Å; V206-I232 HydrophobicContact CG1-CD1 4.13Å; V206-I232 HydrophobicContact CG2-CD1 4.12Å; V206-I232 HydrophobicContact CG2-CG1 4.36Å; V206-I232 HydrophobicContact CG2-CG2 4.35Å; V206-I317 HydrophobicContact CG1-CD1 3.65Å
207	Y	96	Very high	94.8	Very high	17 Å²	17	20.8 Å²	20.8	7%	0.067	11%	0.107	C	C	.	.	H	α-helix	trans	-55.1	-48.3	174.2	173.8	-92.2	0	0	0	112.9	D203 G204 L205 V209 I210 N211 R314 Y315 L523 D524 E526	D203-Y207 PolarHBondContact O-N 3.13Å; G204-Y207 WeakPolarHBondContact O-CB 3.35Å; G204-Y207 PolarHBondContact O-N 2.74Å; L205-Y207 VanDerWaalsContact C-N 3.35Å; Y207-V209 PolarHBondContact O-N 2.85Å; Y207-I210 PolarHBondContact O-N 2.92Å; Y207-N211 WeakPolarHBondContact CD2-ND2 3.47Å; Y207-N211 VanDerWaalsContact CE2-ND2 3.33Å; Y207-N211 WeakPolarHBondContact CE2-ND2 3.33Å; Y207-N211 PolarHBondContact O-N 3.04Å; Y207-N211 PolarHBondContact O-ND2 3Å; Y207-R314 WeakPolarHBondContact OH-CD 3.17Å; Y207-R314 VanDerWaalsContact OH-CG 3.29Å; Y207-R314 WeakPolarHBondContact OH-CG 3.24Å; Y207-R314 PolarHBondContact OH-NE 3.37Å; Y207-Y315 WeakPolarHBondContact CD2-O 3.35Å; Y207-Y315 WeakPolarHBondContact CE2-O 3.31Å; Y207-L523 HydrophobicContact CE2-CD2 3.92Å; Y207-L523 HydrophobicContact CE2-CG 4.17Å; Y207-D524 HydrophobicContact CD2-CB 3.98Å; Y207-E526 HydrophobicContact CD1-CG 3.89Å; Y207-E526 HydrophobicContact CE1-CB 4.38Å; Y207-E526 HydrophobicContact CE1-CG 4.02Å; Y207-E526 HydrophobicContact CG-CG 4.29Å
208	E	97.6	Very high	94.4	Very high	26 Å²	26	22.3 Å²	22.3	12%	0.121	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-45.3	176.8	-77.4	-169.8	-142.1	0	0	112.4	G177 H178 A179 E180 G204 V206 I210 G212	G177-E208 VanDerWaalsContact CA-CD 3.43Å; G177-E208 WeakPolarHBondContact CA-OE2 3.44Å; G177-E208 PolarHBondContact N-OE1 3.27Å; G177-E208 PolarHBondContact N-OE2 3.36Å; H178-E208 PolarHBondContact N-OE2 3.03Å; A179-E208 HydrophobicContact CB-CB 4.04Å; A179-E208 WeakPolarHBondContact CB-OE2 3.32Å; A179-E208 PolarHBondContact N-OE2 3.08Å; E180-E208 WeakPolarHBondContact CA-O 3.35Å; E180-E208 HydrophobicContact CB-CB 4.08Å; E180-E208 HydrophobicContact CB-CG 4.4Å; E180-E208 WeakPolarHBondContact CB-O 3.38Å; E180-E208 PolarHBondContact N-OE2 3.1Å; G204-E208 PolarHBondContact O-N 2.94Å; V206-E208 PolarHBondContact O-N 3.06Å; E208-I210 VanDerWaalsContact C-N 3.34Å; E208-I210 PolarHBondContact O-N 3.08Å; E208-G212 PolarHBondContact O-N 3.38Å
209	V	97	Very high	93.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.9	-39	-179.8	168.2	0	0	0	0	111.6	L139 A179 I183 I197 T199 L205 V206 Y207 G212 L213 I230	L139-V209 HydrophobicContact CD2-CG2 4.07Å; A179-V209 HydrophobicContact CB-CG2 4.33Å; I183-V209 HydrophobicContact CG1-CG2 4.39Å; I197-V209 HydrophobicContact CB-CG1 4.5Å; I197-V209 HydrophobicContact CD1-CG1 4.41Å; I197-V209 HydrophobicContact CG2-CG1 3.78Å; I197-V209 HydrophobicContact CG2-CG2 4.35Å; T199-V209 HydrophobicContact CG2-CB 4.19Å; T199-V209 HydrophobicContact CG2-CG2 3.74Å; L205-V209 WeakPolarHBondContact O-CG2 3.49Å; L205-V209 PolarHBondContact O-N 3.01Å; L205-V209 VanDerWaalsContact O-N 3.11Å; V206-V209 PolarHBondContact O-N 3.35Å; Y207-V209 PolarHBondContact O-N 2.85Å; V209-G212 PolarHBondContact O-N 3.25Å; V209-L213 HydrophobicContact CG1-CD1 4.26Å; V209-L213 WeakPolarHBondContact O-CG 3.21Å; V209-L213 PolarHBondContact O-N 2.79Å; V209-I230 HydrophobicContact CG1-CD1 4.07Å; V209-I230 HydrophobicContact CG1-CG1 4.41Å
210	I	95.3	Very high	92.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-65.9	-52.4	179.5	-69.8	168.5	0	0	0	110.8	V206 Y207 E208 G212 L213 I214 I230 I317 L542	V206-I210 HydrophobicContact CG1-CD1 3.68Å; V206-I210 HydrophobicContact CG1-CG1 4.37Å; V206-I210 WeakPolarHBondContact O-CD1 3.19Å; V206-I210 WeakPolarHBondContact O-CG1 3.34Å; V206-I210 PolarHBondContact O-N 3.48Å; Y207-I210 PolarHBondContact O-N 2.92Å; E208-I210 VanDerWaalsContact C-N 3.34Å; E208-I210 PolarHBondContact O-N 3.08Å; I210-G212 PolarHBondContact O-N 2.95Å; I210-L213 PolarHBondContact O-N 3.49Å; I210-L213 VanDerWaalsContact O-N 3.17Å; I210-I214 HydrophobicContact CG2-CD1 3.68Å; I210-I214 WeakPolarHBondContact O-CG1 2.89Å; I210-I214 PolarHBondContact O-N 3.13Å; I210-I230 HydrophobicContact CG1-CD1 3.76Å; I210-I317 HydrophobicContact CD1-CB 4.21Å; I210-I317 HydrophobicContact CD1-CD1 3.74Å; I210-I317 HydrophobicContact CD1-CG1 3.7Å; I210-I317 HydrophobicContact CD1-CG2 3.52Å; I210-L542 HydrophobicContact CB-CD2 4.2Å; I210-L542 HydrophobicContact CD1-CD2 3.99Å; I210-L542 HydrophobicContact CG1-CD2 3.69Å; I210-L542 HydrophobicContact CG2-CD2 3.6Å
211	N	96.4	Very high	91.5	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-34.3	177.5	-74.2	-82.7	0	0	0	110.5	E180 Y207 S215 Y315	E180-N211 HydrophobicContact CG-CB 4.45Å; Y207-N211 WeakPolarHBondContact CD2-ND2 3.47Å; Y207-N211 VanDerWaalsContact CE2-ND2 3.33Å; Y207-N211 WeakPolarHBondContact CE2-ND2 3.33Å; Y207-N211 PolarHBondContact O-N 3.04Å; Y207-N211 PolarHBondContact O-ND2 3Å; N211-S215 WeakPolarHBondContact O-CB 3.47Å; N211-S215 PolarHBondContact O-N 2.9Å; N211-S215 PolarHBondContact O-OG 3.05Å; N211-Y315 PolarHBondContact ND2-O 3.3Å; N211-Y315 PolarHBondContact OD1-N 3.23Å
212	G	96	Very high	90	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.9	-40.4	175.3	0	0	0	0	0	113.4	I184 E208 V209 I210 R216	I184-G212 WeakPolarHBondContact CG1-O 3.22Å; E208-G212 PolarHBondContact O-N 3.38Å; V209-G212 PolarHBondContact O-N 3.25Å; I210-G212 PolarHBondContact O-N 2.95Å; G212-R216 VanDerWaalsContact O-CG 3.27Å; G212-R216 WeakPolarHBondContact O-CG 3.36Å
213	L	93.7	Very high	88.6	Confident	12 Å²	12	32.6 Å²	32.6	6%	0.063	17%	0.166	C	C	.	.	H	α-helix	trans	-68.7	-49.1	176.1	-79.2	171.8	0	0	0	112	I183 L191 I197 V209 I210 S215 R216 Y219 I230	I183-L213 HydrophobicContact CG2-CB 4.5Å; I183-L213 HydrophobicContact CG2-CD2 3.83Å; I183-L213 HydrophobicContact CG2-CG 3.85Å; L191-L213 HydrophobicContact CD2-CD2 4.28Å; I197-L213 HydrophobicContact CD1-CD1 4.19Å; I197-L213 HydrophobicContact CD1-CD2 3.92Å; I197-L213 HydrophobicContact CD1-CG 4.29Å; V209-L213 HydrophobicContact CG1-CD1 4.26Å; V209-L213 WeakPolarHBondContact O-CG 3.21Å; V209-L213 PolarHBondContact O-N 2.79Å; I210-L213 PolarHBondContact O-N 3.49Å; I210-L213 VanDerWaalsContact O-N 3.17Å; L213-S215 VanDerWaalsContact C-N 3.28Å; L213-S215 PolarHBondContact O-N 2.9Å; L213-R216 WeakPolarHBondContact O-CB 3.13Å; L213-R216 VanDerWaalsContact O-CG 3.27Å; L213-R216 WeakPolarHBondContact O-CG 3.33Å; L213-R216 PolarHBondContact O-N 3.13Å; L213-Y219 HydrophobicContact CB-CE2 4.35Å; L213-Y219 WeakPolarHBondContact O-CD2 3.42Å; L213-I230 HydrophobicContact CD1-CD1 3.97Å; L213-I230 HydrophobicContact CD1-CG1 4.18Å
214	I	91.7	Very high	86.9	Confident	21 Å²	21	37.6 Å²	37.6	11%	0.108	19%	0.189	C	C	.	.	H	α-helix	trans	-67.3	-31.9	-176.2	-64.6	169.7	0	0	0	111.1	I210 R216 Y219 Y315 I541	I210-I214 HydrophobicContact CG2-CD1 3.68Å; I210-I214 WeakPolarHBondContact O-CG1 2.89Å; I210-I214 PolarHBondContact O-N 3.13Å; I214-R216 PolarHBondContact O-N 2.89Å; I214-Y219 HydrophobicContact CG1-CE1 4.28Å; I214-Y219 HydrophobicContact CG1-CE2 4.18Å; I214-Y315 HydrophobicContact CB-CD2 4.21Å; I214-Y315 HydrophobicContact CB-CE2 4.34Å; I214-Y315 HydrophobicContact CD1-CD1 3.86Å; I214-Y315 HydrophobicContact CD1-CD2 3.91Å; I214-Y315 HydrophobicContact CD1-CE1 4.49Å; I214-Y315 HydrophobicContact CD1-CG 3.52Å; I214-Y315 HydrophobicContact CG2-CD2 3.74Å; I214-Y315 HydrophobicContact CG2-CE1 4.29Å; I214-Y315 HydrophobicContact CG2-CE2 3.4Å; I214-Y315 VanDerWaalsContact CG2-CE2 3.4Å; I214-Y315 HydrophobicContact CG2-CG 4.33Å; I214-I541 HydrophobicContact CD1-CD1 4.13Å; I214-I541 HydrophobicContact CD1-CG1 4.42Å; I214-I541 HydrophobicContact CG1-CD1 4.46Å
215	S	92.3	Very high	84.9	Confident	64 Å²	64	43.8 Å²	43.8	45%	0.448	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	0.3	-180	-57.6	0	0	0	0	114	N211 L213	N211-S215 WeakPolarHBondContact O-CB 3.47Å; N211-S215 PolarHBondContact O-N 2.9Å; N211-S215 PolarHBondContact O-OG 3.05Å; L213-S215 VanDerWaalsContact C-N 3.28Å; L213-S215 PolarHBondContact O-N 2.9Å
216	R	92.4	Very high	83.2	Confident	17 Å²	17	47.2 Å²	47.2	6%	0.064	23%	0.233	C	C	.	.			trans	-75.9	140.7	178.2	-59.9	176	59.1	84.3	5.1	111.2	I183 I184 L186 G212 L213 I214 D218 Y219	I183-R216 PolarHBondContact O-NH1 3.18Å; I184-R216 PolarHBondContact O-NH1 2.95Å; L186-R216 VanDerWaalsContact O-CZ 3.22Å; L186-R216 PolarHBondContact O-NH1 3.11Å; L186-R216 PolarHBondContact O-NH2 3.47Å; G212-R216 VanDerWaalsContact O-CG 3.27Å; G212-R216 WeakPolarHBondContact O-CG 3.36Å; L213-R216 WeakPolarHBondContact O-CB 3.13Å; L213-R216 VanDerWaalsContact O-CG 3.27Å; L213-R216 WeakPolarHBondContact O-CG 3.33Å; L213-R216 PolarHBondContact O-N 3.13Å; I214-R216 PolarHBondContact O-N 2.89Å; R216-D218 VanDerWaalsContact C-N 3.25Å; R216-D218 VanDerWaalsContact CB-OD1 3.28Å; R216-D218 WeakPolarHBondContact CB-OD1 3.33Å; R216-D218 IonicContact CZ-OD1 2.9Å; R216-D218 VanDerWaalsContact CZ-OD1 3.26Å; R216-D218 IonicContact CZ-OD2 3.38Å; R216-D218 IonicContact NE-OD1 2.69Å; R216-D218 PolarHBondContact NE-OD1 3.1Å; R216-D218 IonicContact NE-OD2 3.56Å; R216-D218 IonicContact NH2-OD1 2.85Å; R216-D218 PolarHBondContact NH2-OD1 3.43Å; R216-D218 IonicContact NH2-OD2 3.03Å; R216-D218 PolarHBondContact NH2-OD2 3.43Å; R216-D218 PolarHBondContact O-N 2.48Å; R216-Y219 VanDerWaalsContact O-CB 3.24Å; R216-Y219 WeakPolarHBondContact O-CB 3.44Å; R216-Y219 PolarHBondContact O-N 3.21Å
217	K	87.2	Confident	82	Confident	224 Å²	224	49.3 Å²	49.3	97%	0.974	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-27.4	175.7	-63.6	-178.8	-179.2	178.7	0	113.5
218	D	87.9	Confident	81.6	Confident	33 Å²	33	49.2 Å²	49.2	18%	0.176	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	18.5	179.6	62.3	-5.8	0	0	0	112.1	K188 R216 D220 D221 V222	K188-D218 WeakPolarHBondContact CB-OD2 3.48Å; R216-D218 VanDerWaalsContact C-N 3.25Å; R216-D218 VanDerWaalsContact CB-OD1 3.28Å; R216-D218 WeakPolarHBondContact CB-OD1 3.33Å; R216-D218 IonicContact CZ-OD1 2.9Å; R216-D218 VanDerWaalsContact CZ-OD1 3.26Å; R216-D218 IonicContact CZ-OD2 3.38Å; R216-D218 IonicContact NE-OD1 2.69Å; R216-D218 PolarHBondContact NE-OD1 3.1Å; R216-D218 IonicContact NE-OD2 3.56Å; R216-D218 IonicContact NH2-OD1 2.85Å; R216-D218 PolarHBondContact NH2-OD1 3.43Å; R216-D218 IonicContact NH2-OD2 3.03Å; R216-D218 PolarHBondContact NH2-OD2 3.43Å; R216-D218 PolarHBondContact O-N 2.48Å; D218-D220 PolarHBondContact O-N 3.17Å; D218-D221 PolarHBondContact O-N 3.02Å; D218-V222 WeakPolarHBondContact O-CG2 3.38Å; D218-V222 PolarHBondContact O-N 3.36Å
219	Y	83.1	Confident	81.3	Confident	27 Å²	27	48.2 Å²	48.2	11%	0.106	24%	0.242	C	C	.	.	H	α-helix	trans	-57.4	-48.9	-174.8	178.2	-119.3	0	0	0	112.6	L213 I214 R216 D221 V222 I223 I541	L213-Y219 HydrophobicContact CB-CE2 4.35Å; L213-Y219 WeakPolarHBondContact O-CD2 3.42Å; I214-Y219 HydrophobicContact CG1-CE1 4.28Å; I214-Y219 HydrophobicContact CG1-CE2 4.18Å; R216-Y219 VanDerWaalsContact O-CB 3.24Å; R216-Y219 WeakPolarHBondContact O-CB 3.44Å; R216-Y219 PolarHBondContact O-N 3.21Å; Y219-D221 VanDerWaalsContact C-N 3.27Å; Y219-D221 PolarHBondContact O-N 2.89Å; Y219-V222 PolarHBondContact O-N 3.35Å; Y219-I223 HydrophobicContact CD1-CD1 3.69Å; Y219-I223 HydrophobicContact CD2-CD1 3.99Å; Y219-I223 HydrophobicContact CD2-CG1 4.14Å; Y219-I223 HydrophobicContact CE1-CD1 3.22Å; Y219-I223 HydrophobicContact CE1-CG1 4.34Å; Y219-I223 HydrophobicContact CE2-CD1 3.53Å; Y219-I223 HydrophobicContact CE2-CG1 3.77Å; Y219-I223 HydrophobicContact CG-CD1 4.06Å; Y219-I223 WeakPolarHBondContact O-CG1 3.4Å; Y219-I223 PolarHBondContact O-N 2.91Å; Y219-I223 VanDerWaalsContact O-N 3.11Å; Y219-I223 WeakPolarHBondContact OH-CD1 3.45Å; Y219-I541 HydrophobicContact CE1-CD1 4.44Å; Y219-I541 HydrophobicContact CE1-CG1 4.11Å; Y219-I541 WeakPolarHBondContact OH-CG1 3.34Å; Y219-I541 PolarHBondContact OH-O 3.35Å
220	D	77.3	Confident	81.3	Confident	81 Å²	81	48.3 Å²	48.3	43%	0.433	24%	0.243	S	C	.	.	H	α-helix	trans	-57.8	-41.2	179.1	-71.7	-32.7	0	0	0	111.6	D218 V222 I223 E224 Q414	D218-D220 PolarHBondContact O-N 3.17Å; D220-V222 VanDerWaalsContact C-N 3.32Å; D220-V222 PolarHBondContact O-N 3.46Å; D220-I223 PolarHBondContact O-N 3.45Å; D220-E224 PolarHBondContact O-N 3.06Å; D220-E224 VanDerWaalsContact O-N 3.15Å; D220-Q414 PolarHBondContact OD2-NE2 3.5Å
221	D	70.1	Confident	81.3	Confident	92 Å²	92	48.2 Å²	48.2	49%	0.492	24%	0.242	S	C	.	.	H	α-helix	trans	-69.8	-25.6	178	-56.1	-32.6	0	0	0	113.3	K188 D218 Y219	K188-D221 WeakPolarHBondContact CE-O 3.48Å; K188-D221 PolarHBondContact NZ-O 3.35Å; D218-D221 PolarHBondContact O-N 3.02Å; Y219-D221 VanDerWaalsContact C-N 3.27Å; Y219-D221 PolarHBondContact O-N 2.89Å
222	V	63.2	Low	81.4	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.03	24%	0.243	C	C	.	.	H	α-helix	trans	-78.4	-31.2	176	170.9	0	0	0	0	110.8	K188 L191 D218 Y219 D220 D226 T227	K188-V222 HydrophobicContact CD-CG2 4.29Å; K188-V222 HydrophobicContact CG-CG2 3.97Å; L191-V222 HydrophobicContact CD2-CG1 4.16Å; L191-V222 HydrophobicContact CD2-CG2 4.34Å; D218-V222 WeakPolarHBondContact O-CG2 3.38Å; D218-V222 PolarHBondContact O-N 3.36Å; Y219-V222 PolarHBondContact O-N 3.35Å; D220-V222 VanDerWaalsContact C-N 3.32Å; D220-V222 PolarHBondContact O-N 3.46Å; V222-D226 CarbonylContact O-C 3.57Å; V222-D226 VanDerWaalsContact O-C 3.27Å; V222-T227 PolarHBondContact O-N 2.87Å
223	I	63.9	Low	81.4	Confident	21 Å²	21	48.4 Å²	48.4	11%	0.108	24%	0.243	C	C	.	.	H	α-helix	trans	-83.4	-36.9	-178.8	-51.5	160.9	0	0	0	111.9	Y219 D220 T227 K410	Y219-I223 HydrophobicContact CD1-CD1 3.69Å; Y219-I223 HydrophobicContact CD2-CD1 3.99Å; Y219-I223 HydrophobicContact CD2-CG1 4.14Å; Y219-I223 HydrophobicContact CE1-CD1 3.22Å; Y219-I223 HydrophobicContact CE1-CG1 4.34Å; Y219-I223 HydrophobicContact CE2-CD1 3.53Å; Y219-I223 HydrophobicContact CE2-CG1 3.77Å; Y219-I223 HydrophobicContact CG-CD1 4.06Å; Y219-I223 WeakPolarHBondContact O-CG1 3.4Å; Y219-I223 PolarHBondContact O-N 2.91Å; Y219-I223 VanDerWaalsContact O-N 3.11Å; Y219-I223 WeakPolarHBondContact OH-CD1 3.45Å; D220-I223 PolarHBondContact O-N 3.45Å; I223-T227 HydrophobicContact CG2-CG2 3.95Å; I223-T227 PolarHBondContact O-OG1 3.41Å; I223-K410 VanDerWaalsContact CB-NZ 3.27Å
224	E	57	Low	81.5	Confident	120 Å²	120	48.3 Å²	48.3	56%	0.561	24%	0.243	S	C	*	.	H	α-helix	trans	-69.9	-37.2	-172.4	-74.7	-166.8	170.8	0	0	115.2	D220 K410	D220-E224 PolarHBondContact O-N 3.06Å; D220-E224 VanDerWaalsContact O-N 3.15Å; E224-K410 HydrophobicContact CG-CD 4.26Å; E224-K410 VanDerWaalsContact CG-NZ 3.28Å
225	E	52.4	Low	81.5	Confident	145 Å²	145	48.2 Å²	48.2	68%	0.678	25%	0.247	S	C	*	.	H	α-helix	trans	-100.6	-36.3	-173.1	-64.8	179.6	153	0	0	113	K188	K188-E225 IonicContact NZ-OE2 3.72Å
226	D	61	Low	81.2	Confident	80 Å²	80	45.8 Å²	45.8	43%	0.428	23%	0.233	S	C	.	.	H	α-helix	trans	-153.7	61.3	-167.7	-78.8	-55.3	0	0	0	110.4	L192 V222 I228	L192-D226 HydrophobicContact CD2-CB 3.44Å; L192-D226 VanDerWaalsContact CD2-CB 3.44Å; V222-D226 CarbonylContact O-C 3.57Å; V222-D226 VanDerWaalsContact O-C 3.27Å; D226-I228 PolarHBondContact O-N 3.4Å
227	T	71.1	Confident	80.8	Confident	47 Å²	47	45.7 Å²	45.7	29%	0.288	23%	0.234	S	C	.	.			trans	-56.2	110.2	-177.2	-41.1	0	0	0	0	110.3	V222 I223 P229 N543	V222-T227 PolarHBondContact O-N 2.87Å; I223-T227 HydrophobicContact CG2-CG2 3.95Å; I223-T227 PolarHBondContact O-OG1 3.41Å; T227-P229 WeakPolarHBondContact O-CD 3.2Å; T227-N543 WeakPolarHBondContact CB-ND2 3.35Å; T227-N543 HydrophobicContact CG2-CB 4.1Å; T227-N543 VanDerWaalsContact CG2-ND2 3.26Å; T227-N543 WeakPolarHBondContact CG2-ND2 3.47Å
228	I	87.4	Confident	80.7	Confident	14 Å²	14	35.6 Å²	35.6	7%	0.072	19%	0.193	C	C	.	.			trans	-74.7	113	177.1	-72.2	161.3	0	0	0	107.8	L191 L192 I197 D226	L191-I228 VanDerWaalsContact C-CD1 3.49Å; L191-I228 HydrophobicContact CB-CD1 4.26Å; L191-I228 HydrophobicContact CD1-CD1 3.49Å; L191-I228 VanDerWaalsContact CD1-CD1 3.49Å; L191-I228 HydrophobicContact CD1-CG2 4.45Å; L191-I228 HydrophobicContact CD2-CD1 4.14Å; L191-I228 HydrophobicContact CG-CD1 3.29Å; L191-I228 WeakPolarHBondContact O-CD1 3.35Å; L192-I228 HydrophobicContact CD2-CD1 4.12Å; I197-I228 HydrophobicContact CD1-CG2 4.13Å; I197-I228 HydrophobicContact CG1-CG2 3.9Å; D226-I228 PolarHBondContact O-N 3.4Å
229	P	91.8	Very high	80.9	Confident	6 Å²	6	34.9 Å²	34.9	4%	0.039	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-75.3	162.7	180	34	-34.8	0	0	0	110.1	A196 I197 T227 I269 I297 N543 I545	A196-P229 WeakPolarHBondContact CA-O 3.39Å; A196-P229 HydrophobicContact CB-CG 3.86Å; A196-P229 VanDerWaalsContact CB-O 3.25Å; A196-P229 WeakPolarHBondContact CB-O 3.48Å; I197-P229 PolarHBondContact N-O 2.63Å; T227-P229 WeakPolarHBondContact O-CD 3.2Å; P229-I269 HydrophobicContact CG-CD1 4.45Å; P229-I297 HydrophobicContact CB-CG2 4.45Å; P229-N543 CarbonylContact C-O 3.51Å; P229-N543 VanDerWaalsContact CA-O 3.25Å; P229-N543 WeakPolarHBondContact CA-O 3.35Å; P229-N543 HydrophobicContact CB-CB 4.12Å; P229-I545 HydrophobicContact CB-CD1 4.46Å; P229-I545 HydrophobicContact CB-CG1 3.93Å; P229-I545 HydrophobicContact CG-CD1 4.07Å; P229-I545 HydrophobicContact CG-CG1 4.01Å
230	I	95.5	Very high	81.4	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.7	173.5	-57	175	0	0	0	108.8	I197 V209 I210 L213 I232 L542 N543 V544 I545	I197-I230 CarbonylContact O-C 3.55Å; I197-I230 VanDerWaalsContact O-CA 3.24Å; I197-I230 WeakPolarHBondContact O-CA 3.21Å; V209-I230 HydrophobicContact CG1-CD1 4.07Å; V209-I230 HydrophobicContact CG1-CG1 4.41Å; I210-I230 HydrophobicContact CG1-CD1 3.76Å; L213-I230 HydrophobicContact CD1-CD1 3.97Å; L213-I230 HydrophobicContact CD1-CG1 4.18Å; I230-I232 HydrophobicContact CG2-CG1 4.25Å; I230-L542 HydrophobicContact CD1-CD1 4.24Å; I230-N543 PolarHBondContact N-O 3.36Å; I230-V544 HydrophobicContact CB-CG2 4.24Å; I230-V544 CarbonylContact O-C 3.55Å; I230-V544 VanDerWaalsContact O-CA 3.31Å; I230-V544 WeakPolarHBondContact O-CA 3.4Å; I230-I545 PolarHBondContact O-N 3.29Å
231	G	96.8	Very high	82.2	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	150.2	165	0	0	0	0	0	111	I197 V198 T199	I197-G231 PolarHBondContact O-N 2.96Å; V198-G231 CarbonylContact C-O 3.56Å; V198-G231 WeakPolarHBondContact CA-O 3.29Å; T199-G231 PolarHBondContact N-O 3.44Å; T199-G231 PolarHBondContact OG1-O 3.17Å
232	I	97.1	Very high	83.4	Confident	7 Å²	7	25.4 Å²	25.4	4%	0.036	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	121.6	-176.1	-57.1	-176	0	0	0	109.4	V206 I230 T241 A242 I245 C261 V544	V206-I232 HydrophobicContact CG1-CD1 4.13Å; V206-I232 HydrophobicContact CG2-CD1 4.12Å; V206-I232 HydrophobicContact CG2-CG1 4.36Å; V206-I232 HydrophobicContact CG2-CG2 4.35Å; I230-I232 HydrophobicContact CG2-CG1 4.25Å; I232-T241 HydrophobicContact CD1-CG2 3.27Å; I232-A242 HydrophobicContact CG2-CB 4.07Å; I232-I245 HydrophobicContact CB-CD1 4.26Å; I232-I245 HydrophobicContact CD1-CD1 3.82Å; I232-I245 HydrophobicContact CG1-CD1 4.31Å; I232-C261 WeakPolarHBondContact O-CB 3.3Å; I232-V544 HydrophobicContact CD1-CG1 4.3Å
233	L	96.9	Very high	84.9	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114.1	171.2	-66.9	175	0	0	0	108.5	F153 V157 W161 V198 T199 C200 S201 G235 L258 C261 L265	F153-L233 HydrophobicContact CD2-CD1 3.86Å; F153-L233 HydrophobicContact CE2-CD1 3.89Å; V157-L233 HydrophobicContact CG1-CD1 4.06Å; V157-L233 HydrophobicContact CG1-CD2 4.42Å; V157-L233 HydrophobicContact CG2-CD2 4.28Å; W161-L233 HydrophobicContact CH2-CD1 4.03Å; W161-L233 HydrophobicContact CZ2-CD1 4.25Å; V198-L233 HydrophobicContact CG1-CD1 3.71Å; V198-L233 HydrophobicContact CG1-CG 3.79Å; T199-L233 WeakPolarHBondContact O-CA 3.46Å; T199-L233 WeakPolarHBondContact O-CB 3.3Å; T199-L233 PolarHBondContact O-N 2.83Å; C200-L233 CarbonylContact C-O 3.56Å; C200-L233 VanDerWaalsContact CA-O 3.25Å; C200-L233 WeakPolarHBondContact CA-O 3.48Å; C200-L233 HydrophobicContact CB-CB 3.97Å; C200-L233 HydrophobicContact CB-CD1 4.25Å; S201-L233 PolarHBondContact N-O 3.41Å; S201-L233 VanDerWaalsContact N-O 3.11Å; L233-G235 PolarHBondContact O-N 3.34Å; L233-L258 HydrophobicContact CB-CD1 3.92Å; L233-L258 HydrophobicContact CD2-CD1 4.12Å; L233-C261 HydrophobicContact CD2-CB 4.05Å; L233-L265 HydrophobicContact CD1-CD1 4.46Å; L233-L265 HydrophobicContact CD2-CD1 3.73Å; L233-L265 HydrophobicContact CG-CD1 3.85Å
234	P	95	Very high	86.4	Confident	10 Å²	10	24.2 Å²	24.2	7%	0.065	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	116.9	-177	30.8	-38.6	0	0	0	111.8	N239 A242 L257 L258	P234-N239 HydrophobicContact CB-CB 3.67Å; P234-A242 HydrophobicContact CB-CB 3.8Å; P234-A242 HydrophobicContact CG-CB 4.01Å; P234-L257 HydrophobicContact CB-CD2 3.8Å; P234-L257 HydrophobicContact CB-CG 4.32Å; P234-L257 HydrophobicContact CG-CB 3.96Å; P234-L257 HydrophobicContact CG-CD2 3.79Å; P234-L257 HydrophobicContact CG-CG 3.73Å; P234-L258 HydrophobicContact CG-CB 4.13Å; P234-L258 HydrophobicContact CG-CD1 4.41Å
235	G	91.3	Very high	88.2	Confident	18 Å²	18	18.7 Å²	18.7	19%	0.186	11%	0.108	C	C	.	.			trans	-126	1.6	171.7	0	0	0	0	0	113.7	S201 L233	S201-G235 PolarHBondContact O-N 3.25Å; L233-G235 PolarHBondContact O-N 3.34Å
236	G	87.5	Confident	90.2	Very high	14 Å²	14	11.8 Å²	11.8	14%	0.144	8%	0.076	C	C	.	.	S	Bend	trans	-91.4	-170.4	-177.9	0	0	0	0	0	114.4	S201 N239	S201-G236 VanDerWaalsContact C-N 3.3Å; S201-G236 PolarHBondContact O-N 2.58Å; G236-N239 WeakPolarHBondContact CA-OD1 3.27Å; G236-N239 PolarHBondContact N-OD1 3Å; G236-N239 PolarHBondContact O-ND2 2.81Å
237	S	84.4	Confident	91.7	Very high	14 Å²	14	8.9 Å²	8.9	10%	0.098	6%	0.059	C	C	.	.	S	Bend	trans	-82.1	-39.6	-179	44.5	0	0	0	0	113.9	E340	S237-E340 WeakPolarHBondContact O-CG 3.18Å
238	A	84.4	Confident	92.8	Very high	13 Å²	13	8.6 Å²	8.6	11%	0.107	5%	0.054	C	C	.	.			trans	-106.7	-53.4	-175.1	0	0	0	0	0	113.1	S240 E340 F343 T452 S453	A238-S240 PolarHBondContact O-N 3.19Å; A238-E340 WeakPolarHBondContact CA-OE1 3.09Å; A238-F343 HydrophobicContact CB-CE2 4.23Å; A238-T452 HydrophobicContact CB-CG2 4.38Å; A238-S453 WeakPolarHBondContact O-CA 3.42Å; A238-S453 WeakPolarHBondContact O-CB 3.16Å; A238-S453 PolarHBondContact O-N 2.87Å; A238-S453 PolarHBondContact O-OG 3.27Å
239	N	91.7	Very high	93	Very high	17 Å²	17	8 Å²	8	9%	0.091	5%	0.051	C	C	.	.			trans	57.1	42.5	173	-46.8	-57.1	0	0	0	114.3	S201 D203 P234 G236 T241 A242 A243 L257	S201-N239 PolarHBondContact O-OD1 3.21Å; D203-N239 WeakPolarHBondContact OD2-CA 3.28Å; D203-N239 PolarHBondContact OD2-N 3.13Å; P234-N239 HydrophobicContact CB-CB 3.67Å; G236-N239 WeakPolarHBondContact CA-OD1 3.27Å; G236-N239 PolarHBondContact N-OD1 3Å; G236-N239 PolarHBondContact O-ND2 2.81Å; N239-T241 VanDerWaalsContact C-N 3.31Å; N239-T241 PolarHBondContact O-N 3.49Å; N239-A242 HydrophobicContact CB-CB 4.4Å; N239-A242 PolarHBondContact O-N 2.96Å; N239-A243 PolarHBondContact O-N 3.34Å; N239-A243 VanDerWaalsContact O-N 3.11Å; N239-L257 HydrophobicContact CB-CD2 3.98Å
240	S	93.2	Very high	92.9	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.4	-36.7	-177.6	57.9	0	0	0	0	112.2	D203 A238 A243 S244 Q318 I451	D203-S240 PolarHBondContact OD1-N 3.35Å; D203-S240 PolarHBondContact OD2-N 3.07Å; A238-S240 PolarHBondContact O-N 3.19Å; S240-A243 PolarHBondContact O-N 3.48Å; S240-S244 PolarHBondContact O-N 3.26Å; S240-Q318 WeakPolarHBondContact OG-CG 3.39Å; S240-Q318 PolarHBondContact OG-NE2 3.08Å; S240-Q318 PolarHBondContact OG-OE1 3.28Å; S240-I451 WeakPolarHBondContact CB-O 3.4Å
241	T	95.2	Very high	92.7	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.006	6%	0.055	C	C	.	.	H	α-helix	trans	-60.7	-50.8	178.3	-50.8	0	0	0	0	110.8	D203 I232 N239 A243 S244 I245 I317	D203-T241 WeakPolarHBondContact OD1-CB 3.22Å; D203-T241 PolarHBondContact OD1-N 3.5Å; D203-T241 VanDerWaalsContact OD1-N 3.08Å; D203-T241 PolarHBondContact OD1-OG1 3.33Å; I232-T241 HydrophobicContact CD1-CG2 3.27Å; N239-T241 VanDerWaalsContact C-N 3.31Å; N239-T241 PolarHBondContact O-N 3.49Å; T241-A243 VanDerWaalsContact C-N 3.31Å; T241-A243 PolarHBondContact O-N 3Å; T241-S244 PolarHBondContact O-N 3.36Å; T241-I245 HydrophobicContact CG2-CD1 4.4Å; T241-I245 WeakPolarHBondContact O-CG1 3.15Å; T241-I245 PolarHBondContact O-N 2.88Å; T241-I317 HydrophobicContact CG2-CD1 3.81Å
242	A	95.9	Very high	92.2	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.008	6%	0.059	C	C	.	.	H	α-helix	trans	-62.8	-37	177.9	0	0	0	0	0	112.3	I232 P234 N239 I245 C246 L257	I232-A242 HydrophobicContact CG2-CB 4.07Å; P234-A242 HydrophobicContact CB-CB 3.8Å; P234-A242 HydrophobicContact CG-CB 4.01Å; N239-A242 HydrophobicContact CB-CB 4.4Å; N239-A242 PolarHBondContact O-N 2.96Å; A242-I245 PolarHBondContact O-N 3.38Å; A242-C246 PolarHBondContact O-N 3.26Å; A242-C246 PolarHBondContact O-SG 3.41Å; A242-L257 HydrophobicContact CB-CD2 3.66Å; A242-L257 HydrophobicContact CB-CG 4.05Å
243	A	94.6	Very high	91.2	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65.4	-44.5	177.3	0	0	0	0	0	112.4	N239 S240 T241 I245 C246 Y247 L257 H450	N239-A243 PolarHBondContact O-N 3.34Å; N239-A243 VanDerWaalsContact O-N 3.11Å; S240-A243 PolarHBondContact O-N 3.48Å; T241-A243 VanDerWaalsContact C-N 3.31Å; T241-A243 PolarHBondContact O-N 3Å; A243-I245 PolarHBondContact O-N 3.41Å; A243-C246 PolarHBondContact O-N 3.04Å; A243-Y247 WeakPolarHBondContact O-CB 3.18Å; A243-Y247 PolarHBondContact O-N 3.24Å; A243-L257 HydrophobicContact CB-CD1 4.33Å; A243-L257 HydrophobicContact CB-CD2 4.4Å; A243-H450 HydrophobicContact CB-CB 4.24Å
244	S	94.9	Very high	90.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.2	-44.7	173.4	-173.4	0	0	0	0	112	S240 T241 C246 Y247 H248 H448 S449	S240-S244 PolarHBondContact O-N 3.26Å; T241-S244 PolarHBondContact O-N 3.36Å; S244-C246 PolarHBondContact O-N 3.01Å; S244-Y247 PolarHBondContact O-N 3.39Å; S244-H248 PolarHBondContact O-CD2 3.11Å; S244-H248 VanDerWaalsContact O-CD2 3.31Å; S244-H248 PolarHBondContact O-N 3.1Å; S244-H448 VanDerWaalsContact CB-CD2 3.47Å; S244-H448 WeakPolarHBondContact CB-CD2 3.13Å; S244-S449 PolarHBondContact OG-OG 2.82Å
245	I	95.1	Very high	89.1	Confident	4 Å²	4	20.1 Å²	20.1	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-56.6	-52.6	175.7	-74	172.1	0	0	0	111.2	I232 T241 A242 A243 Y247 S249 L264 M463 V544 S546	I232-I245 HydrophobicContact CB-CD1 4.26Å; I232-I245 HydrophobicContact CD1-CD1 3.82Å; I232-I245 HydrophobicContact CG1-CD1 4.31Å; T241-I245 HydrophobicContact CG2-CD1 4.4Å; T241-I245 WeakPolarHBondContact O-CG1 3.15Å; T241-I245 PolarHBondContact O-N 2.88Å; A242-I245 PolarHBondContact O-N 3.38Å; A243-I245 PolarHBondContact O-N 3.41Å; I245-Y247 VanDerWaalsContact C-N 3.33Å; I245-Y247 PolarHBondContact O-N 3.43Å; I245-S249 WeakPolarHBondContact O-CB 3.1Å; I245-S249 PolarHBondContact O-N 3.25Å; I245-L264 HydrophobicContact CG2-CD1 3.75Å; I245-M463 HydrophobicContact CD1-CE 4.35Å; I245-M463 HydrophobicContact CG1-CE 3.52Å; I245-M463 HydrophobicContact CG1-SD 4.47Å; I245-V544 HydrophobicContact CD1-CG1 3.64Å; I245-V544 HydrophobicContact CG1-CG1 4.45Å; I245-S546 WeakPolarHBondContact CG2-O 3.25Å
246	C	94.1	Very high	88.8	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.4	-44.6	-178.8	-72.8	0	0	0	0	111.1	A242 A243 S244 H248 S249 G250 L251 L257 H260	A242-C246 PolarHBondContact O-N 3.26Å; A242-C246 PolarHBondContact O-SG 3.41Å; A243-C246 PolarHBondContact O-N 3.04Å; S244-C246 PolarHBondContact O-N 3.01Å; C246-H248 PolarHBondContact O-N 3.11Å; C246-S249 CarbonylContact O-C 3.58Å; C246-S249 WeakPolarHBondContact O-CA 3.44Å; C246-S249 WeakPolarHBondContact O-CB 3.32Å; C246-S249 PolarHBondContact O-N 3.43Å; C246-S249 VanDerWaalsContact O-N 3.14Å; C246-G250 PolarHBondContact O-N 3.07Å; C246-L251 CarbonylContact C-O 3.56Å; C246-L251 HydrophobicContact CB-CB 4.1Å; C246-L251 CarbonylContact O-C 3.56Å; C246-L251 WeakPolarHBondContact O-CA 3.32Å; C246-L251 WeakPolarHBondContact O-CB 3.29Å; C246-L251 PolarHBondContact O-N 3.21Å; C246-L257 HydrophobicContact CB-CD1 3.8Å; C246-L257 WeakPolarHBondContact SG-CD1 3.26Å; C246-H260 VanDerWaalsContact SG-CB 3.59Å
247	Y	92.7	Very high	89	Confident	20 Å²	20	20.4 Å²	20.4	8%	0.078	12%	0.12	C	C	.	.	H	α-helix	trans	-56.6	-51.4	-179.9	-178.2	-94.2	0	0	0	112.6	E94 L96 A243 S244 I245 S249 G250 L251 H450 P459	E94-Y247 VanDerWaalsContact CD-CZ 3.45Å; E94-Y247 PolarHBondContact OE1-OH 2.88Å; E94-Y247 WeakPolarHBondContact OE2-CE2 3.42Å; E94-Y247 PolarHBondContact OE2-OH 2.93Å; E94-Y247 VanDerWaalsContact OE2-OH 3.11Å; L96-Y247 HydrophobicContact CD1-CD2 4.3Å; L96-Y247 HydrophobicContact CD1-CE2 4.47Å; L96-Y247 HydrophobicContact CD2-CD2 4.42Å; A243-Y247 WeakPolarHBondContact O-CB 3.18Å; A243-Y247 PolarHBondContact O-N 3.24Å; S244-Y247 PolarHBondContact O-N 3.39Å; I245-Y247 VanDerWaalsContact C-N 3.33Å; I245-Y247 PolarHBondContact O-N 3.43Å; Y247-S249 PolarHBondContact O-N 2.89Å; Y247-G250 WeakPolarHBondContact O-CA 3.3Å; Y247-G250 PolarHBondContact O-N 3.4Å; Y247-L251 PolarHBondContact N-O 3.44Å; Y247-H450 AromaticContact CD2-CE1 3.6Å; Y247-H450 AromaticContact CG-CE1 3.56Å; Y247-P459 WeakPolarHBondContact CE1-O 3.45Å; Y247-P459 VanDerWaalsContact OH-CB 3.28Å; Y247-P459 WeakPolarHBondContact OH-CB 3.44Å
248	H	92.5	Very high	89.5	Confident	40 Å²	40	20.9 Å²	20.9	19%	0.185	12%	0.121	C	C	.	.	H	α-helix	trans	-71.7	-18.9	179.1	-73.6	-61.3	0	0	0	113.4	S244 C246 G250 P459 A461 H462 K549	S244-H248 PolarHBondContact O-CD2 3.11Å; S244-H248 VanDerWaalsContact O-CD2 3.31Å; S244-H248 PolarHBondContact O-N 3.1Å; C246-H248 PolarHBondContact O-N 3.11Å; H248-G250 VanDerWaalsContact C-N 3.28Å; H248-P459 PolarHBondContact CE1-O 2.84Å; H248-A461 PolarHBondContact NE2-O 3.07Å; H248-H462 AromaticContact CD2-CD2 3.65Å; H248-H462 AromaticContact CE1-CD2 3.98Å; H248-H462 AromaticContact CG-CD2 3.58Å; H248-H462 AromaticContact ND1-CD2 3.81Å; H248-H462 AromaticContact NE2-CD2 3.88Å; H248-K549 PolarHBondContact O-N 2.78Å
249	S	91.9	Very high	89.8	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.007	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-7.5	165.6	-89.3	0	0	0	0	114.5	I245 C246 Y247 L251 V293 S546 G547 T548	I245-S249 WeakPolarHBondContact O-CB 3.1Å; I245-S249 PolarHBondContact O-N 3.25Å; C246-S249 CarbonylContact O-C 3.58Å; C246-S249 WeakPolarHBondContact O-CA 3.44Å; C246-S249 WeakPolarHBondContact O-CB 3.32Å; C246-S249 PolarHBondContact O-N 3.43Å; C246-S249 VanDerWaalsContact O-N 3.14Å; Y247-S249 PolarHBondContact O-N 2.89Å; S249-L251 VanDerWaalsContact C-N 3.34Å; S249-V293 WeakPolarHBondContact O-CG2 3.44Å; S249-V293 WeakPolarHBondContact OG-CG1 3.45Å; S249-S546 PolarHBondContact OG-O 2.87Å; S249-G547 WeakPolarHBondContact OG-CA 3.4Å; S249-G547 PolarHBondContact OG-O 3.01Å; S249-T548 PolarHBondContact OG-N 2.88Å
250	G	90	Very high	89.9	Confident	12 Å²	12	21.3 Å²	21.3	12%	0.124	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	14.6	-174.4	0	0	0	0	0	113.9	K97 C246 Y247 H248	K97-G250 PolarHBondContact N-O 3.3Å; C246-G250 PolarHBondContact O-N 3.07Å; Y247-G250 WeakPolarHBondContact O-CA 3.3Å; Y247-G250 PolarHBondContact O-N 3.4Å; H248-G250 VanDerWaalsContact C-N 3.28Å
251	L	91.1	Very high	90	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-101.8	141.7	176.9	-61.7	179.8	0	0	0	111.2	K97 L99 C246 Y247 S249 G253 H260 L264 V293	K97-L251 HydrophobicContact CB-CD2 4.49Å; K97-L251 CarbonylContact O-C 3.55Å; K97-L251 WeakPolarHBondContact O-CA 3.35Å; L99-L251 HydrophobicContact CB-CD2 4.45Å; C246-L251 CarbonylContact C-O 3.56Å; C246-L251 HydrophobicContact CB-CB 4.1Å; C246-L251 CarbonylContact O-C 3.56Å; C246-L251 WeakPolarHBondContact O-CA 3.32Å; C246-L251 WeakPolarHBondContact O-CB 3.29Å; C246-L251 PolarHBondContact O-N 3.21Å; Y247-L251 PolarHBondContact N-O 3.44Å; S249-L251 VanDerWaalsContact C-N 3.34Å; L251-G253 PolarHBondContact O-N 3.44Å; L251-H260 HydrophobicContact CD1-CB 3.84Å; L251-L264 HydrophobicContact CD1-CD1 4.47Å; L251-L264 HydrophobicContact CD1-CD2 4.25Å; L251-L264 HydrophobicContact CD1-CG 4.35Å; L251-V293 HydrophobicContact CD1-CG2 4.02Å; L251-V293 HydrophobicContact CD2-CG2 3.97Å; L251-V293 HydrophobicContact CG-CG2 3.86Å
252	L	86.5	Confident	90	Very high	14 Å²	14	21.6 Å²	21.6	7%	0.073	13%	0.127	C	C	.	.			trans	-77.1	114.4	-179.8	176.9	64.5	0	0	0	112.2	V89 K92 L96 K97 I98 K254 H260	V89-L252 HydrophobicContact CG1-CD2 4.39Å; V89-L252 HydrophobicContact CG2-CD2 4.03Å; K92-L252 HydrophobicContact CD-CD1 4.19Å; L96-L252 HydrophobicContact CB-CB 4.37Å; L96-L252 HydrophobicContact CD1-CD1 3.91Å; K97-L252 PolarHBondContact O-N 3.24Å; I98-L252 HydrophobicContact CD1-CD2 4.15Å; I98-L252 HydrophobicContact CG1-CB 4.16Å; I98-L252 HydrophobicContact CG1-CD2 4.12Å; L252-K254 HydrophobicContact CD1-CG 4.35Å; L252-K254 HydrophobicContact CD2-CD 4.49Å; L252-K254 HydrophobicContact CD2-CG 4.4Å; L252-K254 HydrophobicContact CG-CG 4.25Å; L252-K254 PolarHBondContact O-N 3.31Å; L252-K254 VanDerWaalsContact O-N 3.17Å; L252-H260 PolarHBondContact O-CE1 2.78Å; L252-H260 VanDerWaalsContact O-CE1 3.29Å; L252-H260 PolarHBondContact O-ND1 2.86Å
253	G	75.9	Confident	89.9	Confident	10 Å²	10	21.6 Å²	21.6	10%	0.103	13%	0.127	C	C	.	.			trans	-72.1	100.3	167.2	0	0	0	0	0	112.4	L251	L251-G253 PolarHBondContact O-N 3.44Å
254	K	76.6	Confident	89.8	Confident	131 Å²	131	21.8 Å²	21.8	57%	0.57	13%	0.128	S	C	*	.	S	Bend	trans	-153.3	-135.5	167.2	-73.6	-158.5	174.4	-174.6	0	108.9	L252 S256 L257	L252-K254 HydrophobicContact CD1-CG 4.35Å; L252-K254 HydrophobicContact CD2-CD 4.49Å; L252-K254 HydrophobicContact CD2-CG 4.4Å; L252-K254 HydrophobicContact CG-CG 4.25Å; L252-K254 PolarHBondContact O-N 3.31Å; L252-K254 VanDerWaalsContact O-N 3.17Å; K254-S256 PolarHBondContact O-N 2.91Å; K254-L257 WeakPolarHBondContact O-CB 3.35Å; K254-L257 PolarHBondContact O-N 3.43Å; K254-L257 VanDerWaalsContact O-N 3.08Å
255	S	71.9	Confident	89.7	Confident	111 Å²	111	22 Å²	22	78%	0.776	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-12.9	179.8	53.7	0	0	0	0	115.3
256	S	84.3	Confident	89.4	Confident	30 Å²	30	22.6 Å²	22.6	21%	0.21	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	1.4	-178.8	-55.6	0	0	0	0	114.1	K254 L258 S259 H260	K254-S256 PolarHBondContact O-N 2.91Å; S256-L258 VanDerWaalsContact C-N 3.33Å; S256-L258 PolarHBondContact O-N 2.96Å; S256-S259 PolarHBondContact O-N 3.25Å; S256-H260 VanDerWaalsContact CB-CE1 3.48Å; S256-H260 WeakPolarHBondContact CB-CE1 3.21Å; S256-H260 WeakPolarHBondContact CB-NE2 3.49Å; S256-H260 PolarHBondContact O-CD2 2.75Å; S256-H260 PolarHBondContact O-N 2.84Å
257	L	92.4	Very high	89.1	Confident	9 Å²	9	22.7 Å²	22.7	5%	0.047	13%	0.133	C	C	.	.	H	α-helix	trans	-55.2	-44.5	-171.2	-160.2	71.9	0	0	0	113	P234 N239 A242 A243 C246 K254 S259 H260 C261	P234-L257 HydrophobicContact CB-CD2 3.8Å; P234-L257 HydrophobicContact CB-CG 4.32Å; P234-L257 HydrophobicContact CG-CB 3.96Å; P234-L257 HydrophobicContact CG-CD2 3.79Å; P234-L257 HydrophobicContact CG-CG 3.73Å; N239-L257 HydrophobicContact CB-CD2 3.98Å; A242-L257 HydrophobicContact CB-CD2 3.66Å; A242-L257 HydrophobicContact CB-CG 4.05Å; A243-L257 HydrophobicContact CB-CD1 4.33Å; A243-L257 HydrophobicContact CB-CD2 4.4Å; C246-L257 HydrophobicContact CB-CD1 3.8Å; C246-L257 WeakPolarHBondContact SG-CD1 3.26Å; K254-L257 WeakPolarHBondContact O-CB 3.35Å; K254-L257 PolarHBondContact O-N 3.43Å; K254-L257 VanDerWaalsContact O-N 3.08Å; L257-S259 PolarHBondContact O-N 3.33Å; L257-H260 PolarHBondContact O-N 3.08Å; L257-C261 WeakPolarHBondContact O-CB 3.14Å; L257-C261 PolarHBondContact O-N 2.85Å; L257-C261 PolarHBondContact O-SG 3.42Å
258	L	94.1	Very high	88.4	Confident	24 Å²	24	23.6 Å²	23.6	13%	0.126	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-43.1	178	-179.3	58.1	0	0	0	112.7	K156 V157 L233 P234 S256 G262	K156-L258 HydrophobicContact CB-CD2 4.24Å; K156-L258 HydrophobicContact CD-CD2 4.29Å; V157-L258 HydrophobicContact CG2-CD1 3.67Å; V157-L258 HydrophobicContact CG2-CD2 4.31Å; V157-L258 HydrophobicContact CG2-CG 3.8Å; L233-L258 HydrophobicContact CB-CD1 3.92Å; L233-L258 HydrophobicContact CD2-CD1 4.12Å; P234-L258 HydrophobicContact CG-CB 4.13Å; P234-L258 HydrophobicContact CG-CD1 4.41Å; S256-L258 VanDerWaalsContact C-N 3.33Å; S256-L258 PolarHBondContact O-N 2.96Å; L258-G262 PolarHBondContact O-N 3.11Å
259	S	92.3	Very high	87.4	Confident	38 Å²	38	23.2 Å²	23.2	27%	0.266	14%	0.14	S	C	.	.	H	α-helix	trans	-70	-36.8	178.7	-59.5	0	0	0	0	111.9	S256 L257 G262 F263	S256-S259 PolarHBondContact O-N 3.25Å; L257-S259 PolarHBondContact O-N 3.33Å; S259-G262 PolarHBondContact O-N 2.75Å; S259-F263 WeakPolarHBondContact O-CB 3.24Å; S259-F263 PolarHBondContact O-N 2.88Å
260	H	93.7	Very high	85.9	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.1	-51.9	176.1	-68.8	173.8	0	0	0	111	L99 C246 L251 L252 S256 L257 G262 F263 L264	L99-H260 VanDerWaalsContact CB-CD2 3.46Å; L99-H260 WeakPolarHBondContact CB-CD2 3.49Å; L99-H260 PolarHBondContact N-NE2 2.92Å; L99-H260 VanDerWaalsContact N-NE2 3.15Å; L99-H260 PolarHBondContact O-NE2 3.25Å; C246-H260 VanDerWaalsContact SG-CB 3.59Å; L251-H260 HydrophobicContact CD1-CB 3.84Å; L252-H260 PolarHBondContact O-CE1 2.78Å; L252-H260 VanDerWaalsContact O-CE1 3.29Å; L252-H260 PolarHBondContact O-ND1 2.86Å; S256-H260 VanDerWaalsContact CB-CE1 3.48Å; S256-H260 WeakPolarHBondContact CB-CE1 3.21Å; S256-H260 WeakPolarHBondContact CB-NE2 3.49Å; S256-H260 PolarHBondContact O-CD2 2.75Å; S256-H260 PolarHBondContact O-N 2.84Å; L257-H260 PolarHBondContact O-N 3.08Å; H260-G262 VanDerWaalsContact C-N 3.33Å; H260-G262 PolarHBondContact O-N 2.72Å; H260-F263 PolarHBondContact O-N 3.03Å; H260-L264 WeakPolarHBondContact O-CG 3.49Å; H260-L264 PolarHBondContact O-N 3.2Å
261	C	95.5	Very high	83.9	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.014	19%	0.192	C	C	.	.	H	α-helix	trans	-59	-42.9	174.4	-73.4	0	0	0	0	112.4	I232 L233 L257 F263 L264 L265	I232-C261 WeakPolarHBondContact O-CB 3.3Å; L233-C261 HydrophobicContact CD2-CB 4.05Å; L257-C261 WeakPolarHBondContact O-CB 3.14Å; L257-C261 PolarHBondContact O-N 2.85Å; L257-C261 PolarHBondContact O-SG 3.42Å; C261-F263 VanDerWaalsContact C-N 3.29Å; C261-F263 PolarHBondContact O-N 2.98Å; C261-L264 PolarHBondContact O-N 3.12Å; C261-L265 WeakPolarHBondContact O-CG 3.26Å; C261-L265 PolarHBondContact O-N 2.98Å; C261-L265 VanDerWaalsContact O-N 3.13Å
262	G	95	Very high	81.5	Confident	5 Å²	5	37.6 Å²	37.6	5%	0.052	21%	0.21	C	C	.	.	H	α-helix	trans	-56.9	-41.6	175.4	0	0	0	0	0	112.9	W161 L258 S259 H260 T266	W161-G262 PolarHBondContact NE1-O 2.78Å; L258-G262 PolarHBondContact O-N 3.11Å; S259-G262 PolarHBondContact O-N 2.75Å; H260-G262 VanDerWaalsContact C-N 3.33Å; H260-G262 PolarHBondContact O-N 2.72Å; G262-T266 WeakPolarHBondContact O-CG2 3.02Å
263	F	92.1	Very high	79.2	Confident	1 Å²	1	46.2 Å²	46.2	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-71	-41.8	174.3	168.6	-102.8	0	0	0	113.4	L59 F84 L99 S259 H260 C261 L265 T266 L267	L59-F263 HydrophobicContact CD2-CE2 3.71Å; L59-F263 HydrophobicContact CD2-CZ 3.5Å; L59-F263 VanDerWaalsContact CD2-CZ 3.5Å; F84-F263 HydrophobicContact CB-CE2 4.36Å; F84-F263 AromaticContact CD2-CD2 3.37Å; F84-F263 HydrophobicContact CD2-CD2 3.37Å; F84-F263 AromaticContact CD2-CE2 3.72Å; F84-F263 HydrophobicContact CD2-CE2 3.72Å; F84-F263 HydrophobicContact CD2-CG 4.37Å; F84-F263 HydrophobicContact CE2-CB 4.38Å; F84-F263 AromaticContact CE2-CD2 3.53Å; F84-F263 HydrophobicContact CE2-CD2 3.53Å; F84-F263 HydrophobicContact CE2-CE2 4.29Å; F84-F263 HydrophobicContact CE2-CG 4.37Å; F84-F263 AromaticContact CG-CD2 3.95Å; F84-F263 HydrophobicContact CG-CD2 3.95Å; F84-F263 HydrophobicContact CG-CE2 4.22Å; F84-F263 HydrophobicContact CZ-CB 4.29Å; F84-F263 HydrophobicContact CZ-CD2 4.21Å; L99-F263 HydrophobicContact CD1-CD1 4.25Å; L99-F263 HydrophobicContact CD1-CE1 4.22Å; L99-F263 HydrophobicContact CD2-CB 3.3Å; L99-F263 HydrophobicContact CD2-CD1 3.45Å; L99-F263 VanDerWaalsContact CD2-CD1 3.45Å; L99-F263 HydrophobicContact CD2-CD2 3.9Å; L99-F263 HydrophobicContact CD2-CE1 4.23Å; L99-F263 HydrophobicContact CD2-CG 3.24Å; L99-F263 HydrophobicContact CG-CD1 4.48Å; S259-F263 WeakPolarHBondContact O-CB 3.24Å; S259-F263 PolarHBondContact O-N 2.88Å; H260-F263 PolarHBondContact O-N 3.03Å; C261-F263 VanDerWaalsContact C-N 3.29Å; C261-F263 PolarHBondContact O-N 2.98Å; F263-L265 PolarHBondContact O-N 2.9Å; F263-T266 PolarHBondContact O-N 2.69Å; F263-T266 PolarHBondContact O-OG1 2.92Å; F263-L267 HydrophobicContact CE1-CD1 4.33Å; F263-L267 HydrophobicContact CE1-CD2 4.23Å; F263-L267 HydrophobicContact CE1-CG 4.42Å; F263-L267 HydrophobicContact CE2-CD2 4.23Å; F263-L267 HydrophobicContact CZ-CD2 3.76Å; F263-L267 HydrophobicContact CZ-CG 4.39Å
264	L	92.5	Very high	77.1	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-57.4	-34.2	177.9	-69.4	172.2	0	0	0	111.5	I245 L251 H260 C261 T266 L267 V293 S546	I245-L264 HydrophobicContact CG2-CD1 3.75Å; L251-L264 HydrophobicContact CD1-CD1 4.47Å; L251-L264 HydrophobicContact CD1-CD2 4.25Å; L251-L264 HydrophobicContact CD1-CG 4.35Å; H260-L264 WeakPolarHBondContact O-CG 3.49Å; H260-L264 PolarHBondContact O-N 3.2Å; C261-L264 PolarHBondContact O-N 3.12Å; L264-T266 VanDerWaalsContact C-N 3.32Å; L264-L267 HydrophobicContact CD2-CD1 4.23Å; L264-L267 WeakPolarHBondContact O-CB 3.34Å; L264-L267 PolarHBondContact O-N 3.46Å; L264-V293 HydrophobicContact CD2-CB 4.2Å; L264-V293 HydrophobicContact CD2-CG1 3.62Å; L264-S546 WeakPolarHBondContact CD1-O 3.35Å
265	L	93.5	Very high	74.9	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.021	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-12.1	175.2	-65.4	171.7	0	0	0	113.9	Y136 W161 V198 L233 C261 F263 I545	Y136-L265 HydrophobicContact CE2-CB 4.41Å; Y136-L265 WeakPolarHBondContact CE2-O 3.28Å; Y136-L265 PolarHBondContact OH-O 3.13Å; W161-L265 HydrophobicContact CH2-CB 4.48Å; W161-L265 HydrophobicContact CH2-CD1 4.12Å; W161-L265 HydrophobicContact CZ2-CB 3.72Å; W161-L265 HydrophobicContact CZ2-CD1 3.81Å; W161-L265 HydrophobicContact CZ2-CG 4.42Å; V198-L265 HydrophobicContact CG1-CD1 3.87Å; V198-L265 HydrophobicContact CG2-CD1 4.31Å; L233-L265 HydrophobicContact CD1-CD1 4.46Å; L233-L265 HydrophobicContact CD2-CD1 3.73Å; L233-L265 HydrophobicContact CG-CD1 3.85Å; C261-L265 WeakPolarHBondContact O-CG 3.26Å; C261-L265 PolarHBondContact O-N 2.98Å; C261-L265 VanDerWaalsContact O-N 3.13Å; F263-L265 PolarHBondContact O-N 2.9Å; L265-I545 HydrophobicContact CD2-CB 3.89Å; L265-I545 HydrophobicContact CD2-CD1 3.6Å; L265-I545 HydrophobicContact CD2-CG1 4.33Å; L265-I545 HydrophobicContact CD2-CG2 3.93Å
266	T	89.5	Confident	73.2	Confident	17 Å²	17	58.1 Å²	58.1	10%	0.104	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-10.1	171.1	70.6	0	0	0	0	112.7	M164 V166 G262 F263 L264	M164-T266 HydrophobicContact CE-CG2 4.46Å; M164-T266 HydrophobicContact SD-CG2 3.91Å; V166-T266 HydrophobicContact CG2-CG2 4.09Å; G262-T266 WeakPolarHBondContact O-CG2 3.02Å; F263-T266 PolarHBondContact O-N 2.69Å; F263-T266 PolarHBondContact O-OG1 2.92Å; L264-T266 VanDerWaalsContact C-N 3.32Å
267	L	86.7	Confident	70.6	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.01	31%	0.31	C	S	.	.	S	Bend	trans	-71.7	149.3	177.9	-61.1	177.7	0	0	0	111	N58 R195 F263 L264 I269 L291 P295	N58-L267 HydrophobicContact CB-CD2 4.2Å; R195-L267 PolarHBondContact NH2-O 2.81Å; F263-L267 HydrophobicContact CE1-CD1 4.33Å; F263-L267 HydrophobicContact CE1-CD2 4.23Å; F263-L267 HydrophobicContact CE1-CG 4.42Å; F263-L267 HydrophobicContact CE2-CD2 4.23Å; F263-L267 HydrophobicContact CZ-CD2 3.76Å; F263-L267 HydrophobicContact CZ-CG 4.39Å; L264-L267 HydrophobicContact CD2-CD1 4.23Å; L264-L267 WeakPolarHBondContact O-CB 3.34Å; L264-L267 PolarHBondContact O-N 3.46Å; L267-I269 PolarHBondContact O-N 2.79Å; L267-L291 HydrophobicContact CD2-CD2 4.15Å; L267-P295 HydrophobicContact CB-CB 3.9Å; L267-P295 HydrophobicContact CD1-CB 4.45Å
268	P	78.1	Confident	67.6	Low	39 Å²	39	69.2 Å²	69.2	25%	0.253	35%	0.345	S	S	.	.			trans	-64.2	128.7	175.2	25.7	-32.8	0	0	0	110.1	N58 E270 I272 P295	N58-P268 WeakPolarHBondContact ND2-CD 3.06Å; P268-E270 VanDerWaalsContact C-N 3.34Å; P268-I272 HydrophobicContact CG-CD1 4.38Å; P268-P295 HydrophobicContact CG-CG 4.33Å; P268-P295 WeakPolarHBondContact O-CB 3.49Å; P268-P295 WeakPolarHBondContact O-CG 3.47Å
269	I	71.4	Confident	64.3	Low	31 Å²	31	77 Å²	77	16%	0.159	38%	0.381	C	S	.	.			trans	-77.6	-23.3	179.5	-71.8	170.1	0	0	0	111.6	R195 P229 L267 N271 I297 I545	R195-I269 HydrophobicContact CG-CD1 3.75Å; R195-I269 VanDerWaalsContact CZ-CD1 3.42Å; R195-I269 VanDerWaalsContact NE-CD1 3.33Å; R195-I269 VanDerWaalsContact NH2-CG1 3.34Å; R195-I269 VanDerWaalsContact NH2-N 3.18Å; P229-I269 HydrophobicContact CG-CD1 4.45Å; L267-I269 PolarHBondContact O-N 2.79Å; I269-N271 PolarHBondContact O-N 2.78Å; I269-I297 HydrophobicContact CG2-CD1 3.36Å; I269-I297 HydrophobicContact CG2-CG1 3.75Å; I269-I545 HydrophobicContact CD1-CD1 3.49Å; I269-I545 VanDerWaalsContact CD1-CD1 3.49Å; I269-I545 HydrophobicContact CD1-CG1 4.22Å; I269-I545 HydrophobicContact CG1-CD1 4.15Å
270	E	61.2	Low	61.4	Low	135 Å²	135	80.5 Å²	80.5	63%	0.631	40%	0.401	S	S	*	.	S	Bend	trans	-56	124.1	175.5	-69.4	174.5	-158.3	0	0	109.7	P268 I272	P268-E270 VanDerWaalsContact C-N 3.34Å; E270-I272 PolarHBondContact O-N 2.8Å
271	N	46.8	Very low	58.3	Low	110 Å²	110	86.6 Å²	86.6	59%	0.588	43%	0.434	S	S	*	.			trans	-52.6	109.4	177.9	-86.8	-29.8	0	0	0	109	I269 R273	I269-N271 PolarHBondContact O-N 2.78Å; N271-R273 HydrophobicContact CB-CB 4.4Å; N271-R273 PolarHBondContact O-N 2.85Å
272	I	42.5	Very low	55.3	Low	72 Å²	72	96.2 Å²	96.2	37%	0.369	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-61.7	-0.5	172.4	-62.8	-179.9	0	0	0	111.5	P268 E270 N274 L291 P295	P268-I272 HydrophobicContact CG-CD1 4.38Å; E270-I272 PolarHBondContact O-N 2.8Å; I272-N274 PolarHBondContact O-N 2.81Å; I272-L291 HydrophobicContact CD1-CD1 4.42Å; I272-P295 HydrophobicContact CD1-CG 3.46Å; I272-P295 VanDerWaalsContact CD1-CG 3.46Å; I272-P295 HydrophobicContact CG1-CG 3.99Å
273	R	37.2	Very low	52.1	Low	195 Å²	195	105 Å²	105	74%	0.736	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-56.9	-20.6	-178.9	-78.9	-171.7	174.4	-174.9	-2.3	115.4	N271	N271-R273 HydrophobicContact CB-CB 4.4Å; N271-R273 PolarHBondContact O-N 2.85Å
274	N	30.9	Very low	49.2	Very low	144 Å²	144	110.7 Å²	110.7	77%	0.77	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-109.1	13.5	-174	-78.9	-0.7	0	0	0	117.3	I272	I272-N274 PolarHBondContact O-N 2.81Å
275	K	32	Very low	46.5	Very low	183 Å²	183	115.6 Å²	115.6	80%	0.796	57%	0.571	S	S	*	*	S	Bend	trans	-116.2	1	172.8	-76.5	-170.9	177.7	-178.5	0	116.2	S277	K275-S277 VanDerWaalsContact C-N 3.34Å
276	Q	35.9	Very low	43.6	Very low	174 Å²	174	125.5 Å²	125.5	81%	0.813	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	2.8	175.1	-75.2	-168.1	-11	0	0	115
277	S	29.3	Very low	41.2	Very low	105 Å²	105	130.7 Å²	130.7	73%	0.734	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	14.5	175.5	53.2	0	0	0	0	114.8	K275 Q279	K275-S277 VanDerWaalsContact C-N 3.34Å; S277-Q279 PolarHBondContact O-N 2.71Å
278	Q	28.8	Very low	38.9	Very low	167 Å²	167	136 Å²	136	78%	0.78	67%	0.67	S	S	*	*	S	Bend	trans	-87	108.6	162.5	-77.4	-174.4	-10.8	0	0	109.2	V280	Q278-V280 PolarHBondContact O-N 2.62Å; Q278-V280 VanDerWaalsContact O-N 3.11Å
279	Q	26.2	Very low	37.4	Very low	187 Å²	187	136.1 Å²	136.1	87%	0.874	67%	0.671	S	S	*	*			trans	-32.2	108.6	175	-69.5	172.5	-35.6	0	0	112.5	S277 N281	S277-Q279 PolarHBondContact O-N 2.71Å; Q279-N281 PolarHBondContact O-N 2.85Å
280	V	31.3	Very low	36.7	Very low	113 Å²	113	138.4 Å²	138.4	69%	0.685	69%	0.687	S	S	*	*			trans	-77.5	108.9	163.6	177.8	0	0	0	0	106.4	Q278 E282	Q278-V280 PolarHBondContact O-N 2.62Å; Q278-V280 VanDerWaalsContact O-N 3.11Å; V280-E282 PolarHBondContact O-N 3.18Å
281	N	27.9	Very low	36.9	Very low	128 Å²	128	132.3 Å²	132.3	68%	0.684	66%	0.659	S	S	*	*			trans	-49.8	127.2	166.6	-81.4	-26.7	0	0	0	109.6	Q279 Q283 N284	Q279-N281 PolarHBondContact O-N 2.85Å; N281-Q283 PolarHBondContact O-N 2.99Å; N281-N284 PolarHBondContact O-N 3.3Å
282	E	31.9	Very low	38.1	Very low	204 Å²	204	127.8 Å²	127.8	95%	0.953	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	22.6	-173.1	-69.4	-173.5	144.2	0	0	115.9	V280	V280-E282 PolarHBondContact O-N 3.18Å
283	Q	28.6	Very low	39.9	Very low	189 Å²	189	124.3 Å²	124.3	88%	0.883	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	-0.7	173.4	-69.5	-169.4	-6.8	0	0	114.5	N281	N281-Q283 PolarHBondContact O-N 2.99Å
284	N	31.5	Very low	42.1	Very low	120 Å²	120	118 Å²	118	64%	0.642	60%	0.598	S	S	*	*	S	Bend	trans	-89.1	119.2	177.4	-77	-22.8	0	0	0	111	N281 K286	N281-N284 PolarHBondContact O-N 3.3Å; N284-K286 PolarHBondContact O-N 2.85Å
285	E	36	Very low	44.5	Very low	108 Å²	108	112.2 Å²	112.2	51%	0.505	57%	0.568	S	S	.	*			trans	-29.1	131.3	169.9	-64.2	171.9	151.7	0	0	112.3	K52 Y287	K52-E285 IonicContact NZ-OE1 3.26Å; K52-E285 PolarHBondContact NZ-OE1 2.83Å; K52-E285 IonicContact NZ-OE2 2.69Å; K52-E285 PolarHBondContact NZ-OE2 2.82Å; E285-Y287 VanDerWaalsContact O-CD2 3.24Å; E285-Y287 WeakPolarHBondContact O-CD2 3.43Å; E285-Y287 PolarHBondContact O-N 2.58Å
286	K	32.3	Very low	47.2	Very low	213 Å²	213	108 Å²	108	93%	0.926	55%	0.547	S	S	*	.			trans	-56.4	86.7	170.8	-88.7	179.7	174.1	174.7	0	109.7	N284 S288	N284-K286 PolarHBondContact O-N 2.85Å; K286-S288 VanDerWaalsContact C-N 3.34Å; K286-S288 PolarHBondContact O-N 3.04Å
287	Y	38.7	Very low	49.8	Very low	125 Å²	125	101.9 Å²	101.9	49%	0.49	52%	0.52	S	S	.	.			trans	-63.2	103.4	158.6	-65.7	-82.7	0	0	0	105.6	Y54 E285 C289	Y54-Y287 HydrophobicContact CD2-CD1 4.41Å; E285-Y287 VanDerWaalsContact O-CD2 3.24Å; E285-Y287 WeakPolarHBondContact O-CD2 3.43Å; E285-Y287 PolarHBondContact O-N 2.58Å; Y287-C289 PolarHBondContact O-N 3.23Å
288	S	38.3	Very low	52.7	Low	115 Å²	115	96.9 Å²	96.9	80%	0.804	49%	0.485	S	S	*	.			trans	-71.2	54.5	162	-179	0	0	0	0	108.5	K286 T290	K286-S288 VanDerWaalsContact C-N 3.34Å; K286-S288 PolarHBondContact O-N 3.04Å; S288-T290 PolarHBondContact O-N 2.85Å
289	C	47.5	Very low	55.7	Low	40 Å²	40	91.7 Å²	91.7	27%	0.27	47%	0.465	S	S	.	.			trans	-89.9	83.4	177.5	174.6	0	0	0	0	106.8	Y54 Y287	Y54-C289 HydrophobicContact CD1-CB 3.97Å; Y54-C289 VanDerWaalsContact CD1-SG 3.57Å; Y54-C289 HydrophobicContact CE1-CB 3.96Å; Y54-C289 WeakPolarHBondContact CE1-SG 3.41Å; Y287-C289 PolarHBondContact O-N 3.23Å
290	T	55.7	Low	58.9	Low	79 Å²	79	82.8 Å²	82.8	49%	0.485	42%	0.424	S	S	.	.			trans	-118.5	123.2	168.7	28.5	0	0	0	0	107.1	S288 V550	S288-T290 PolarHBondContact O-N 2.85Å; T290-V550 HydrophobicContact CG2-CG1 3.78Å; T290-V550 HydrophobicContact CG2-CG2 4.37Å
291	L	66.3	Low	61.8	Low	8 Å²	8	77.4 Å²	77.4	4%	0.042	39%	0.391	C	S	.	.			trans	-41.7	134.7	159.7	-75.3	159.9	0	0	0	107.3	H56 N58 L59 L267 I272 V293 L294 V550	H56-L291 HydrophobicContact CB-CD2 4.4Å; N58-L291 HydrophobicContact CB-CD2 4.04Å; L59-L291 HydrophobicContact CD2-CD2 4.49Å; L59-L291 HydrophobicContact CG-CD2 4.41Å; L267-L291 HydrophobicContact CD2-CD2 4.15Å; I272-L291 HydrophobicContact CD1-CD1 4.42Å; L291-V293 WeakPolarHBondContact CB-O 3.26Å; L291-V293 PolarHBondContact O-N 3.03Å; L291-L294 HydrophobicContact CD1-CD2 4.49Å; L291-V550 WeakPolarHBondContact O-CG2 3.03Å
292	P	70.5	Confident	64.9	Low	14 Å²	14	71.3 Å²	71.3	9%	0.091	36%	0.359	C	S	.	.	S	Bend	trans	-57.9	-23.8	-179.9	23.8	-33.3	0	0	0	112.4	L59 T86 L99	L59-P292 HydrophobicContact CD2-CG 4.09Å; T86-P292 HydrophobicContact CG2-CB 3.33Å; T86-P292 HydrophobicContact CG2-CG 3.73Å; L99-P292 HydrophobicContact CD1-CG 4.48Å
293	V	81.1	Confident	68	Low	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	133.7	178.5	-172.1	0	0	0	0	108.2	S249 L251 L264 L291 T548	S249-V293 WeakPolarHBondContact O-CG2 3.44Å; S249-V293 WeakPolarHBondContact OG-CG1 3.45Å; L251-V293 HydrophobicContact CD1-CG2 4.02Å; L251-V293 HydrophobicContact CD2-CG2 3.97Å; L251-V293 HydrophobicContact CG-CG2 3.86Å; L264-V293 HydrophobicContact CD2-CB 4.2Å; L264-V293 HydrophobicContact CD2-CG1 3.62Å; L291-V293 WeakPolarHBondContact CB-O 3.26Å; L291-V293 PolarHBondContact O-N 3.03Å; V293-T548 WeakPolarHBondContact CG1-O 3.46Å
294	L	82.9	Confident	71.2	Confident	62 Å²	62	54 Å²	54	33%	0.325	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	143.2	172.3	-63.3	173	0	0	0	110.1	L291 G547 T548 V550	L291-L294 HydrophobicContact CD1-CD2 4.49Å; L294-G547 CarbonylContact O-C 3.44Å; L294-G547 WeakPolarHBondContact O-CA 3.46Å; L294-T548 HydrophobicContact CB-CG2 3.88Å; L294-T548 HydrophobicContact CD1-CG2 4.48Å; L294-T548 PolarHBondContact N-O 2.9Å; L294-T548 PolarHBondContact O-N 3.24Å; L294-V550 HydrophobicContact CD1-CG2 4.3Å; L294-V550 HydrophobicContact CD2-CG2 4.28Å; L294-V550 HydrophobicContact CG-CG2 3.84Å
295	P	82.6	Confident	74.2	Confident	22 Å²	22	48.3 Å²	48.3	14%	0.143	25%	0.247	C	C	.	.			trans	-60.4	141	169	24	-30.8	0	0	0	110.6	L267 P268 I272	L267-P295 HydrophobicContact CB-CB 3.9Å; L267-P295 HydrophobicContact CD1-CB 4.45Å; P268-P295 HydrophobicContact CG-CG 4.33Å; P268-P295 WeakPolarHBondContact O-CB 3.49Å; P268-P295 WeakPolarHBondContact O-CG 3.47Å; I272-P295 HydrophobicContact CD1-CG 3.46Å; I272-P295 VanDerWaalsContact CD1-CG 3.46Å; I272-P295 HydrophobicContact CG1-CG 3.99Å
296	R	87.6	Confident	77	Confident	94 Å²	94	43.4 Å²	43.4	36%	0.355	23%	0.225	S	C	.	.			trans	-151.5	132.2	176.7	-175.4	172.9	179.5	142	0	109.5	S546 G547 T548	R296-S546 PolarHBondContact O-N 2.89Å; R296-G547 PolarHBondContact O-N 3.14Å; R296-T548 HydrophobicContact CB-CG2 4.34Å
297	I	90	Very high	79.8	Confident	47 Å²	47	33.9 Å²	33.9	24%	0.241	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.1	159.8	-52.6	178.6	0	0	0	106.8	P229 I269 N543	P229-I297 HydrophobicContact CB-CG2 4.45Å; I269-I297 HydrophobicContact CG2-CD1 3.36Å; I269-I297 HydrophobicContact CG2-CG1 3.75Å; I297-N543 HydrophobicContact CG2-CB 3.5Å
298	T	91.7	Very high	81.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.8	179.6	-70.2	0	0	0	0	109.2	V300 M463 N543 V544 S546	T298-V300 PolarHBondContact O-N 2.9Å; T298-M463 HydrophobicContact CG2-CG 3.78Å; T298-M463 HydrophobicContact CG2-SD 4.16Å; T298-N543 WeakPolarHBondContact O-CA 3.34Å; T298-V544 PolarHBondContact N-O 2.8Å; T298-V544 PolarHBondContact O-N 2.82Å; T298-S546 PolarHBondContact OG1-OG 3.01Å
299	P	91.3	Very high	84.1	Confident	57 Å²	57	31.7 Å²	31.7	37%	0.37	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	120	169.1	28.7	-32.2	0	0	0	108.3	S464 L542 N543	P299-S464 VanDerWaalsContact O-CA 3.29Å; P299-S464 WeakPolarHBondContact O-CA 3.27Å; P299-S464 WeakPolarHBondContact O-CB 3.41Å; P299-L542 CarbonylContact C-O 3.54Å; P299-L542 WeakPolarHBondContact CA-O 3.38Å; P299-N543 WeakPolarHBondContact CA-OD1 3.47Å
300	V	92.5	Very high	85.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.3	-175.3	179.3	0	0	0	0	109.9	T298 I317 M463 G540 I541 L542 V544	T298-V300 PolarHBondContact O-N 2.9Å; V300-I317 HydrophobicContact CG1-CB 4.11Å; V300-I317 HydrophobicContact CG1-CG2 3.64Å; V300-M463 CarbonylContact C-O 3.46Å; V300-M463 WeakPolarHBondContact CA-O 3.29Å; V300-M463 HydrophobicContact CG1-CB 4.32Å; V300-M463 HydrophobicContact CG2-CG 4.15Å; V300-M463 HydrophobicContact CG2-SD 3.81Å; V300-G540 WeakPolarHBondContact O-CA 3.47Å; V300-G540 PolarHBondContact O-N 2.79Å; V300-I541 PolarHBondContact O-N 2.86Å; V300-L542 HydrophobicContact CB-CD1 3.62Å; V300-L542 HydrophobicContact CB-CG 4.11Å; V300-L542 HydrophobicContact CG1-CD1 4.26Å; V300-L542 HydrophobicContact CG2-CD1 3.8Å; V300-L542 PolarHBondContact N-O 3.38Å; V300-V544 HydrophobicContact CG2-CB 3.75Å; V300-V544 HydrophobicContact CG2-CG2 3.48Å; V300-V544 VanDerWaalsContact CG2-CG2 3.48Å
301	S	93.1	Very high	87.1	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	122.4	166.4	-59.6	0	0	0	0	109.2	N447 M463 D465 I538	S301-N447 PolarHBondContact O-ND2 3.36Å; S301-M463 PolarHBondContact N-O 3.15Å; S301-D465 WeakPolarHBondContact CB-O 3.27Å; S301-D465 PolarHBondContact OG-O 2.92Å; S301-I538 CarbonylContact C-O 3.58Å; S301-I538 VanDerWaalsContact CA-O 3.31Å; S301-I538 WeakPolarHBondContact CA-O 3.48Å
302	C	93.5	Very high	88.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	159.3	177.5	-69.2	0	0	0	0	111.5	G316 I317 V537 I538 I541 L542	C302-G316 CarbonylContact C-O 3.14Å; C302-G316 WeakPolarHBondContact CA-O 3.22Å; C302-G316 WeakPolarHBondContact CB-O 3.38Å; C302-I317 HydrophobicContact CB-CG2 4.46Å; C302-I317 WeakPolarHBondContact SG-CG2 3.36Å; C302-V537 CarbonylContact O-C 3.54Å; C302-V537 WeakPolarHBondContact O-CA 3.15Å; C302-I538 PolarHBondContact N-O 3.43Å; C302-I538 PolarHBondContact O-N 3.41Å; C302-I541 HydrophobicContact CB-CG2 3.6Å; C302-I541 WeakPolarHBondContact SG-CG2 3.21Å; C302-L542 VanDerWaalsContact SG-CD2 3.52Å
303	I	96.4	Very high	89.3	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	111.3	165.6	-55.5	175.1	0	0	0	106.6	Y315 G316 I320 L468 L523 A535	I303-Y315 CarbonylContact O-C 3.56Å; I303-Y315 VanDerWaalsContact O-CA 3.32Å; I303-Y315 WeakPolarHBondContact O-CA 3.25Å; I303-G316 PolarHBondContact N-O 2.81Å; I303-G316 PolarHBondContact O-N 3.02Å; I303-I320 HydrophobicContact CD1-CG1 4.4Å; I303-I320 HydrophobicContact CG2-CD1 3.48Å; I303-I320 VanDerWaalsContact CG2-CD1 3.48Å; I303-I320 HydrophobicContact CG2-CG1 3.89Å; I303-L468 HydrophobicContact CD1-CD2 4.36Å; I303-L468 HydrophobicContact CG1-CD1 3.93Å; I303-L468 HydrophobicContact CG1-CD2 3.74Å; I303-L468 HydrophobicContact CG2-CD1 4.47Å; I303-L523 HydrophobicContact CB-CD1 4.44Å; I303-L523 HydrophobicContact CG2-CD1 4.11Å; I303-A535 HydrophobicContact CG2-CB 4.04Å
304	H	95.2	Very high	90	Very high	30 Å²	30	45.4 Å²	45.4	14%	0.139	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	119.3	165.3	173.2	-143	0	0	0	108.2	H313 Y315 A535 E536 I538	H304-H313 AromaticContact CE1-ND1 3.71Å; H304-H313 AromaticContact NE2-CE1 3.91Å; H304-H313 AromaticContact NE2-CG 3.89Å; H304-H313 AromaticContact NE2-ND1 2.97Å; H304-H313 PolarHBondContact NE2-ND1 3.48Å; H304-Y315 HydrophobicContact CB-CD1 4.2Å; H304-Y315 HydrophobicContact CB-CE1 4.02Å; H304-Y315 AromaticContact CD2-CE1 3.71Å; H304-Y315 AromaticContact CD2-CZ 3.9Å; H304-A535 CarbonylContact O-C 3.53Å; H304-A535 WeakPolarHBondContact O-CA 3.45Å; H304-A535 WeakPolarHBondContact O-CB 3.09Å; H304-E536 HydrophobicContact CB-CG 4.03Å; H304-E536 IonicContact CE1-OE1 3.02Å; H304-E536 PolarHBondContact N-O 3.32Å; H304-E536 IonicContact ND1-OE1 2.75Å; H304-E536 PolarHBondContact ND1-OE1 2.84Å; H304-E536 PolarHBondContact O-N 2.62Å; H304-I538 HydrophobicContact CB-CD1 3.51Å; H304-I538 HydrophobicContact CB-CG1 3.85Å
305	F	95.9	Very high	90.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.9	-177.9	-178.9	-80.1	0	0	0	109.9	T307 F312 H313 R314 I320 T521 L523 V528 F533	F305-T307 HydrophobicContact CE1-CG2 3.71Å; F305-T307 HydrophobicContact CZ-CG2 4.4Å; F305-F312 HydrophobicContact CD1-CD1 4.44Å; F305-F312 AromaticContact CD1-CE1 3.94Å; F305-F312 HydrophobicContact CD1-CE1 3.94Å; F305-F312 HydrophobicContact CE1-CD1 4.35Å; F305-F312 AromaticContact CE1-CE1 3.84Å; F305-F312 HydrophobicContact CE1-CE1 3.84Å; F305-H313 WeakPolarHBondContact O-CA 3.48Å; F305-R314 WeakPolarHBondContact CB-O 3.44Å; F305-R314 PolarHBondContact N-O 3.47Å; F305-R314 PolarHBondContact O-N 3.31Å; F305-I320 HydrophobicContact CD2-CD1 3.89Å; F305-I320 HydrophobicContact CD2-CG1 4.14Å; F305-I320 HydrophobicContact CE2-CG2 4.36Å; F305-T521 HydrophobicContact CE2-CG2 4.1Å; F305-T521 HydrophobicContact CZ-CG2 4.09Å; F305-L523 HydrophobicContact CB-CD1 4.36Å; F305-L523 HydrophobicContact CB-CD2 3.77Å; F305-L523 HydrophobicContact CG-CD2 4.16Å; F305-V528 HydrophobicContact CE1-CB 4.14Å; F305-V528 HydrophobicContact CE1-CG2 3.97Å; F305-V528 HydrophobicContact CE2-CG2 4.21Å; F305-V528 HydrophobicContact CZ-CB 4.29Å; F305-V528 HydrophobicContact CZ-CG2 3.61Å; F305-F533 AromaticContact CD2-CD2 3.86Å; F305-F533 HydrophobicContact CD2-CD2 3.86Å; F305-F533 HydrophobicContact CD2-CE2 4.29Å; F305-F533 HydrophobicContact CD2-CG 4.47Å; F305-F533 HydrophobicContact CE1-CB 4.08Å; F305-F533 HydrophobicContact CE2-CB 3.83Å; F305-F533 HydrophobicContact CE2-CD1 4.18Å; F305-F533 AromaticContact CE2-CD2 3.17Å; F305-F533 HydrophobicContact CE2-CD2 3.17Å; F305-F533 AromaticContact CE2-CE2 3.64Å; F305-F533 HydrophobicContact CE2-CE2 3.64Å; F305-F533 AromaticContact CE2-CG 3.47Å; F305-F533 HydrophobicContact CE2-CG 3.47Å; F305-F533 VanDerWaalsContact CE2-CG 3.47Å; F305-F533 HydrophobicContact CE2-CZ 4.26Å; F305-F533 HydrophobicContact CZ-CB 3.44Å; F305-F533 VanDerWaalsContact CZ-CB 3.44Å; F305-F533 HydrophobicContact CZ-CD1 4.14Å; F305-F533 AromaticContact CZ-CD2 3.76Å; F305-F533 HydrophobicContact CZ-CD2 3.76Å; F305-F533 HydrophobicContact CZ-CE2 4.49Å; F305-F533 AromaticContact CZ-CG 3.52Å; F305-F533 HydrophobicContact CZ-CG 3.52Å
306	G	93.1	Very high	91.2	Very high	4 Å²	4	43.8 Å²	43.8	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.2	176.1	0	0	0	0	0	112.6	F312 F533 Q534	G306-F312 WeakPolarHBondContact CA-O 3.22Å; G306-F533 CarbonylContact O-C 3.6Å; G306-F533 VanDerWaalsContact O-CA 3.31Å; G306-F533 WeakPolarHBondContact O-CA 3.37Å; G306-F533 WeakPolarHBondContact O-CB 3.43Å; G306-Q534 PolarHBondContact N-O 3.11Å; G306-Q534 PolarHBondContact O-N 2.98Å
307	T	91	Very high	91.6	Very high	13 Å²	13	39.4 Å²	39.4	8%	0.08	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-168.9	177.5	72.4	0	0	0	0	111.4	F305 D309 F312 T422 P529 F533	F305-T307 HydrophobicContact CE1-CG2 3.71Å; F305-T307 HydrophobicContact CZ-CG2 4.4Å; T307-D309 VanDerWaalsContact C-N 3.29Å; T307-D309 PolarHBondContact OG1-N 2.7Å; T307-D309 VanDerWaalsContact OG1-N 3.12Å; T307-D309 PolarHBondContact OG1-O 3.36Å; T307-F312 HydrophobicContact CG2-CD1 3.56Å; T307-F312 HydrophobicContact CG2-CE1 4.13Å; T307-F312 HydrophobicContact CG2-CG 4.31Å; T307-F312 PolarHBondContact N-O 3.36Å; T307-T422 PolarHBondContact O-OG1 3.43Å; T307-T422 VanDerWaalsContact O-OG1 3.11Å; T307-P529 HydrophobicContact CG2-CB 4.32Å; T307-F533 HydrophobicContact CG2-CB 4.38Å
308	Y	83.7	Confident	91.9	Very high	112 Å²	112	37.7 Å²	37.7	44%	0.439	19%	0.188	S	C	.	.	S	Bend	trans	-68.5	-26.9	167.3	-85.7	-57.8	0	0	0	113.4	T310 T422 T532	Y308-T310 PolarHBondContact O-N 3.18Å; Y308-T422 HydrophobicContact CD1-CG2 3.43Å; Y308-T422 VanDerWaalsContact CD1-CG2 3.43Å; Y308-T422 VanDerWaalsContact CE1-C 3.42Å; Y308-T422 HydrophobicContact CE1-CG2 3.58Å; Y308-T422 WeakPolarHBondContact CE1-O 3.29Å; Y308-T422 HydrophobicContact CG-CG2 3.92Å; Y308-T532 HydrophobicContact CD2-CG2 4.03Å; Y308-T532 HydrophobicContact CE2-CG2 3.41Å; Y308-T532 VanDerWaalsContact CE2-CG2 3.41Å; Y308-T532 WeakPolarHBondContact CE2-OG1 3.45Å
309	D	84	Confident	92.1	Very high	82 Å²	82	37.7 Å²	37.7	44%	0.439	19%	0.188	S	C	.	.	S	Bend	trans	-71.6	109.3	166.9	-179.3	5.5	0	0	0	107.9	T307 N311 F312	T307-D309 VanDerWaalsContact C-N 3.29Å; T307-D309 PolarHBondContact OG1-N 2.7Å; T307-D309 VanDerWaalsContact OG1-N 3.12Å; T307-D309 PolarHBondContact OG1-O 3.36Å; D309-N311 PolarHBondContact O-N 3.43Å; D309-N311 VanDerWaalsContact O-N 3.11Å; D309-N311 WeakPolarHBondContact OD1-CB 3.31Å; D309-N311 PolarHBondContact OD1-N 3.18Å; D309-N311 PolarHBondContact OD1-ND2 3.1Å; D309-F312 HydrophobicContact CB-CB 4.1Å; D309-F312 PolarHBondContact O-N 2.65Å
310	T	81	Confident	92.4	Very high	104 Å²	104	35 Å²	35	64%	0.638	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-9.5	178.9	57.2	0	0	0	0	112.9	Y308 H313	Y308-T310 PolarHBondContact O-N 3.18Å; T310-H313 PolarHBondContact O-CD2 3.22Å; T310-H313 VanDerWaalsContact O-CD2 3.3Å; T310-H313 PolarHBondContact O-NE2 2.82Å; T310-H313 VanDerWaalsContact O-NE2 3.08Å
311	N	86.1	Confident	92.6	Very high	137 Å²	137	35.4 Å²	35.4	73%	0.733	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-10.6	172.7	-53.3	-66.4	0	0	0	112.3	D309 H313	D309-N311 PolarHBondContact O-N 3.43Å; D309-N311 VanDerWaalsContact O-N 3.11Å; D309-N311 WeakPolarHBondContact OD1-CB 3.31Å; D309-N311 PolarHBondContact OD1-N 3.18Å; D309-N311 PolarHBondContact OD1-ND2 3.1Å; N311-H313 PolarHBondContact O-N 2.75Å
312	F	90.3	Very high	92.8	Very high	34 Å²	34	35.4 Å²	35.4	15%	0.149	17%	0.172	C	C	.	.			trans	-96	98.1	178.8	-169.5	-84.1	0	0	0	110.7	F305 G306 T307 D309 R314 V528 P529	F305-F312 HydrophobicContact CD1-CD1 4.44Å; F305-F312 AromaticContact CD1-CE1 3.94Å; F305-F312 HydrophobicContact CD1-CE1 3.94Å; F305-F312 HydrophobicContact CE1-CD1 4.35Å; F305-F312 AromaticContact CE1-CE1 3.84Å; F305-F312 HydrophobicContact CE1-CE1 3.84Å; G306-F312 WeakPolarHBondContact CA-O 3.22Å; T307-F312 HydrophobicContact CG2-CD1 3.56Å; T307-F312 HydrophobicContact CG2-CE1 4.13Å; T307-F312 HydrophobicContact CG2-CG 4.31Å; T307-F312 PolarHBondContact N-O 3.36Å; D309-F312 HydrophobicContact CB-CB 4.1Å; D309-F312 PolarHBondContact O-N 2.65Å; F312-R314 HydrophobicContact CE1-CG 4Å; F312-R314 HydrophobicContact CE2-CG 4.45Å; F312-R314 HydrophobicContact CZ-CG 3.77Å; F312-V528 HydrophobicContact CE1-CB 4.32Å; F312-V528 HydrophobicContact CE1-CG1 4.42Å; F312-V528 HydrophobicContact CZ-CB 4.17Å; F312-V528 HydrophobicContact CZ-CG1 4.15Å; F312-P529 HydrophobicContact CD1-CG 4.28Å; F312-P529 HydrophobicContact CD2-CG 3.87Å; F312-P529 HydrophobicContact CE1-CG 4.13Å; F312-P529 HydrophobicContact CE2-CG 3.7Å; F312-P529 HydrophobicContact CG-CG 4.16Å; F312-P529 HydrophobicContact CZ-CG 3.85Å
313	H	91.8	Very high	92.8	Very high	78 Å²	78	35.4 Å²	35.4	36%	0.361	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.9	170.2	-66.6	-94.9	0	0	0	109.6	H304 F305 T310 N311	H304-H313 AromaticContact CE1-ND1 3.71Å; H304-H313 AromaticContact NE2-CE1 3.91Å; H304-H313 AromaticContact NE2-CG 3.89Å; H304-H313 AromaticContact NE2-ND1 2.97Å; H304-H313 PolarHBondContact NE2-ND1 3.48Å; F305-H313 WeakPolarHBondContact O-CA 3.48Å; T310-H313 PolarHBondContact O-CD2 3.22Å; T310-H313 VanDerWaalsContact O-CD2 3.3Å; T310-H313 PolarHBondContact O-NE2 2.82Å; T310-H313 VanDerWaalsContact O-NE2 3.08Å; N311-H313 PolarHBondContact O-N 2.75Å
314	R	95.7	Very high	92.6	Very high	77 Å²	77	36.1 Å²	36.1	29%	0.291	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	150.5	175.3	-74.3	-60	-163.1	-85.2	4.7	110.7	Y207 F305 F312 L523	Y207-R314 WeakPolarHBondContact OH-CD 3.17Å; Y207-R314 VanDerWaalsContact OH-CG 3.29Å; Y207-R314 WeakPolarHBondContact OH-CG 3.24Å; Y207-R314 PolarHBondContact OH-NE 3.37Å; F305-R314 WeakPolarHBondContact CB-O 3.44Å; F305-R314 PolarHBondContact N-O 3.47Å; F305-R314 PolarHBondContact O-N 3.31Å; F312-R314 HydrophobicContact CE1-CG 4Å; F312-R314 HydrophobicContact CE2-CG 4.45Å; F312-R314 HydrophobicContact CZ-CG 3.77Å; R314-L523 HydrophobicContact CB-CD2 3.6Å
315	Y	95.7	Very high	92.4	Very high	49 Å²	49	35.8 Å²	35.8	19%	0.192	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.9	176.9	-60.7	-90.9	0	0	0	109.6	Y207 N211 I214 I303 H304 I538 I541	Y207-Y315 WeakPolarHBondContact CD2-O 3.35Å; Y207-Y315 WeakPolarHBondContact CE2-O 3.31Å; N211-Y315 PolarHBondContact ND2-O 3.3Å; N211-Y315 PolarHBondContact OD1-N 3.23Å; I214-Y315 HydrophobicContact CB-CD2 4.21Å; I214-Y315 HydrophobicContact CB-CE2 4.34Å; I214-Y315 HydrophobicContact CD1-CD1 3.86Å; I214-Y315 HydrophobicContact CD1-CD2 3.91Å; I214-Y315 HydrophobicContact CD1-CE1 4.49Å; I214-Y315 HydrophobicContact CD1-CG 3.52Å; I214-Y315 HydrophobicContact CG2-CD2 3.74Å; I214-Y315 HydrophobicContact CG2-CE1 4.29Å; I214-Y315 HydrophobicContact CG2-CE2 3.4Å; I214-Y315 VanDerWaalsContact CG2-CE2 3.4Å; I214-Y315 HydrophobicContact CG2-CG 4.33Å; I303-Y315 CarbonylContact O-C 3.56Å; I303-Y315 VanDerWaalsContact O-CA 3.32Å; I303-Y315 WeakPolarHBondContact O-CA 3.25Å; H304-Y315 HydrophobicContact CB-CD1 4.2Å; H304-Y315 HydrophobicContact CB-CE1 4.02Å; H304-Y315 AromaticContact CD2-CE1 3.71Å; H304-Y315 AromaticContact CD2-CZ 3.9Å; Y315-I538 HydrophobicContact CE1-CD1 3.98Å; Y315-I541 HydrophobicContact CE1-CD1 4.41Å
316	G	96.1	Very high	92.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	164.3	170.3	0	0	0	0	0	111	C302 I303 D524	C302-G316 CarbonylContact C-O 3.14Å; C302-G316 WeakPolarHBondContact CA-O 3.22Å; C302-G316 WeakPolarHBondContact CB-O 3.38Å; I303-G316 PolarHBondContact N-O 2.81Å; I303-G316 PolarHBondContact O-N 3.02Å; G316-D524 WeakPolarHBondContact CA-OD2 3.49Å
317	I	95.7	Very high	92.3	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	18%	0.175	C	C	.	.	S	Bend	trans	-121.6	-14.5	173.1	54.8	158.8	0	0	0	112.7	V206 I210 T241 V300 C302 N447 H448 D524 L542	V206-I317 HydrophobicContact CG1-CD1 3.65Å; I210-I317 HydrophobicContact CD1-CB 4.21Å; I210-I317 HydrophobicContact CD1-CD1 3.74Å; I210-I317 HydrophobicContact CD1-CG1 3.7Å; I210-I317 HydrophobicContact CD1-CG2 3.52Å; T241-I317 HydrophobicContact CG2-CD1 3.81Å; V300-I317 HydrophobicContact CG1-CB 4.11Å; V300-I317 HydrophobicContact CG1-CG2 3.64Å; C302-I317 HydrophobicContact CB-CG2 4.46Å; C302-I317 WeakPolarHBondContact SG-CG2 3.36Å; I317-N447 WeakPolarHBondContact O-CB 3.41Å; I317-N447 PolarHBondContact O-ND2 2.64Å; I317-H448 PolarHBondContact O-CE1 2.8Å; I317-H448 PolarHBondContact O-ND1 2.67Å; I317-D524 PolarHBondContact N-OD1 3.22Å; I317-D524 PolarHBondContact N-OD2 2.89Å; I317-L542 HydrophobicContact CG2-CD2 4.32Å
318	Q	95.3	Very high	92.3	Very high	11 Å²	11	36.4 Å²	36.4	5%	0.051	18%	0.176	C	C	.	.	S	Bend	trans	-100.1	-68.8	-171.3	-176.7	-168	-30.1	0	0	111.2	S240 N447 D524	S240-Q318 WeakPolarHBondContact OG-CG 3.39Å; S240-Q318 PolarHBondContact OG-NE2 3.08Å; S240-Q318 PolarHBondContact OG-OE1 3.28Å; Q318-N447 PolarHBondContact O-N 2.99Å; Q318-D524 VanDerWaalsContact CA-OD1 3.31Å; Q318-D524 WeakPolarHBondContact CA-OD1 3.4Å; Q318-D524 HydrophobicContact CB-CB 4.37Å; Q318-D524 VanDerWaalsContact CB-OD1 3.26Å; Q318-D524 WeakPolarHBondContact CB-OD1 3.36Å; Q318-D524 PolarHBondContact N-OD1 3Å; Q318-D524 PolarHBondContact N-OD2 2.74Å
319	S	96.6	Very high	92.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	154.1	-168.8	51.4	0	0	0	0	115.5	V445 L523 D524	S319-V445 CarbonylContact C-O 3.39Å; S319-V445 WeakPolarHBondContact CA-O 3.41Å; S319-V445 WeakPolarHBondContact CB-O 3.31Å; S319-L523 WeakPolarHBondContact O-CA 3.09Å; S319-D524 PolarHBondContact N-OD1 2.9Å; S319-D524 PolarHBondContact O-N 2.98Å
320	I	97.7	Very high	93.1	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.2	160.7	-61.1	161.1	0	0	0	108.5	I303 F305 L444 V445 T521 M522 L523 F533 A535	I303-I320 HydrophobicContact CD1-CG1 4.4Å; I303-I320 HydrophobicContact CG2-CD1 3.48Å; I303-I320 VanDerWaalsContact CG2-CD1 3.48Å; I303-I320 HydrophobicContact CG2-CG1 3.89Å; F305-I320 HydrophobicContact CD2-CD1 3.89Å; F305-I320 HydrophobicContact CD2-CG1 4.14Å; F305-I320 HydrophobicContact CE2-CG2 4.36Å; I320-L444 WeakPolarHBondContact O-CA 3.15Å; I320-L444 WeakPolarHBondContact O-CD1 3.49Å; I320-V445 HydrophobicContact CB-CB 4.01Å; I320-V445 HydrophobicContact CB-CG2 4.18Å; I320-V445 HydrophobicContact CD1-CB 4.39Å; I320-V445 HydrophobicContact CD1-CG2 4.36Å; I320-V445 PolarHBondContact N-O 3.27Å; I320-V445 PolarHBondContact O-N 3.41Å; I320-T521 HydrophobicContact CG2-CG2 4.42Å; I320-M522 CarbonylContact C-O 3.58Å; I320-M522 VanDerWaalsContact CA-O 3.32Å; I320-M522 WeakPolarHBondContact CA-O 3.23Å; I320-L523 HydrophobicContact CG1-CD1 3.71Å; I320-F533 HydrophobicContact CD1-CE2 4.39Å; I320-F533 HydrophobicContact CG2-CE2 3.87Å; I320-F533 HydrophobicContact CG2-CZ 3.81Å; I320-A535 HydrophobicContact CD1-CB 3.31Å
321	E	96.8	Very high	93.7	Very high	8 Å²	8	32 Å²	32	4%	0.037	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.3	176.3	-42.2	-172.2	161.2	0	0	110	I325 A326 D329 L444 T521 M522	E321-I325 HydrophobicContact CB-CG2 4.31Å; E321-I325 HydrophobicContact CG-CG2 4.36Å; E321-A326 HydrophobicContact CB-CB 3.89Å; E321-A326 WeakPolarHBondContact O-CB 3.36Å; E321-D329 WeakPolarHBondContact OE2-CB 3.31Å; E321-L444 HydrophobicContact CB-CD1 4.29Å; E321-L444 HydrophobicContact CG-CD1 3.83Å; E321-T521 WeakPolarHBondContact O-CA 3.08Å; E321-M522 HydrophobicContact CB-CB 4.2Å; E321-M522 HydrophobicContact CG-CB 4.48Å; E321-M522 PolarHBondContact N-O 2.78Å; E321-M522 PolarHBondContact O-N 2.78Å
322	W	96.7	Very high	94	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	138.3	176	-176.4	88.6	0	0	0	111.7	Y357 A359 F440 T442 I443 I511 P513 V519 F533	W322-Y357 HydrophobicContact CH2-CG 4.34Å; W322-A359 HydrophobicContact CH2-CB 3.6Å; W322-A359 HydrophobicContact CZ2-CB 3.8Å; W322-A359 HydrophobicContact CZ3-CB 4.49Å; W322-F440 HydrophobicContact CZ3-CB 4.18Å; W322-F440 HydrophobicContact CZ3-CD2 4.33Å; W322-T442 WeakPolarHBondContact O-CA 3.15Å; W322-T442 PolarHBondContact O-OG1 3.17Å; W322-I443 HydrophobicContact CB-CB 4.43Å; W322-I443 HydrophobicContact CE3-CB 3.93Å; W322-I443 HydrophobicContact CE3-CD1 3.77Å; W322-I443 HydrophobicContact CE3-CG1 3.84Å; W322-I443 HydrophobicContact CZ3-CD1 3.8Å; W322-I443 HydrophobicContact CZ3-CG1 4.09Å; W322-I443 PolarHBondContact N-O 3.25Å; W322-I443 PolarHBondContact O-N 3.42Å; W322-I443 VanDerWaalsContact O-O 3.14Å; W322-I511 HydrophobicContact CB-CD1 4.33Å; W322-I511 HydrophobicContact CD2-CG2 4.33Å; W322-I511 HydrophobicContact CG-CD1 4.29Å; W322-I511 HydrophobicContact CZ2-CG2 4.3Å; W322-P513 HydrophobicContact CZ2-CB 4.12Å; W322-V519 HydrophobicContact CD2-CG1 4.05Å; W322-V519 HydrophobicContact CG-CG1 4.42Å; W322-V519 HydrophobicContact CH2-CG1 4.46Å; W322-V519 HydrophobicContact CZ2-CB 4.2Å; W322-V519 HydrophobicContact CZ2-CG1 3.75Å; W322-V519 HydrophobicContact CZ2-CG2 4.18Å; W322-F533 AromaticContact CD1-CE1 3.81Å; W322-F533 HydrophobicContact CG-CE1 4.44Å
323	G	94.1	Very high	94	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.2	-133.4	180	0	0	0	0	0	112.7	I325 A326 D327 T520	G323-I325 PolarHBondContact O-N 3.16Å; G323-A326 PolarHBondContact O-N 3.22Å; G323-D327 PolarHBondContact O-N 3.02Å; G323-T520 PolarHBondContact N-O 3.33Å
324	F	92.1	Very high	93.9	Very high	15 Å²	15	32.2 Å²	32.2	7%	0.066	13%	0.134	C	C	.	.	H	α-helix	trans	-53.7	-46.3	-171.5	173.6	-88.3	0	0	0	114.2	D327 L328 Y350 P355 Y357 V441 T442	F324-D327 WeakPolarHBondContact O-CB 3.22Å; F324-D327 PolarHBondContact O-N 3.02Å; F324-L328 HydrophobicContact CE1-CD1 3.99Å; F324-L328 HydrophobicContact CZ-CD1 4.44Å; F324-L328 VanDerWaalsContact O-CB 3.31Å; F324-L328 WeakPolarHBondContact O-CB 3.33Å; F324-L328 PolarHBondContact O-N 2.85Å; F324-Y350 HydrophobicContact CE2-CG 4.31Å; F324-P355 HydrophobicContact CD2-CG 3.85Å; F324-Y357 HydrophobicContact CB-CE2 4.34Å; F324-Y357 VanDerWaalsContact N-CE2 3.26Å; F324-V441 HydrophobicContact CB-CG1 3.81Å; F324-V441 WeakPolarHBondContact CB-O 3.38Å; F324-V441 HydrophobicContact CD2-CG1 4.4Å; F324-V441 HydrophobicContact CG-CG1 4.09Å; F324-V441 PolarHBondContact N-O 2.97Å; F324-T442 PolarHBondContact N-OG1 3.32Å; F324-T442 VanDerWaalsContact N-OG1 3.15Å
325	I	92.1	Very high	93.7	Very high	24 Å²	24	31.3 Å²	31.3	12%	0.123	13%	0.132	C	C	.	.	H	α-helix	trans	-67.4	-41.8	-178.5	-67.9	-176.7	0	0	0	110.6	E321 G323 L328 D329 T442 L444	E321-I325 HydrophobicContact CB-CG2 4.31Å; E321-I325 HydrophobicContact CG-CG2 4.36Å; G323-I325 PolarHBondContact O-N 3.16Å; I325-L328 WeakPolarHBondContact O-CB 3.33Å; I325-L328 PolarHBondContact O-N 2.95Å; I325-L328 VanDerWaalsContact O-N 3.16Å; I325-D329 PolarHBondContact O-N 2.94Å; I325-T442 HydrophobicContact CB-CG2 4.49Å; I325-T442 HydrophobicContact CD1-CG2 3.69Å; I325-T442 HydrophobicContact CG1-CG2 3.9Å; I325-T442 PolarHBondContact N-OG1 3.26Å; I325-L444 HydrophobicContact CD1-CD2 3.85Å
326	A	94.3	Very high	93.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64	-42.5	176.1	0	0	0	0	0	112.1	E321 G323 L328 D329 Y330 T520 M522	E321-A326 HydrophobicContact CB-CB 3.89Å; E321-A326 WeakPolarHBondContact O-CB 3.36Å; G323-A326 PolarHBondContact O-N 3.22Å; A326-L328 PolarHBondContact O-N 3.19Å; A326-D329 PolarHBondContact O-N 2.85Å; A326-Y330 VanDerWaalsContact O-CB 3.28Å; A326-Y330 WeakPolarHBondContact O-CB 3.29Å; A326-Y330 PolarHBondContact O-N 3.42Å; A326-T520 HydrophobicContact CB-CG2 3.94Å; A326-T520 WeakPolarHBondContact CB-O 2.95Å; A326-M522 HydrophobicContact CB-CG 4.15Å; A326-M522 HydrophobicContact CB-SD 4.34Å; A326-M522 VanDerWaalsContact O-SD 3.35Å
327	D	92.2	Very high	92.8	Very high	12 Å²	12	41.2 Å²	41.2	6%	0.064	17%	0.169	C	C	.	.	H	α-helix	trans	-59.2	-37.4	173.6	-99.5	20.8	0	0	0	112.3	G323 F324 K331 Y357 T520	G323-D327 PolarHBondContact O-N 3.02Å; F324-D327 WeakPolarHBondContact O-CB 3.22Å; F324-D327 PolarHBondContact O-N 3.02Å; D327-K331 WeakPolarHBondContact O-CB 3.41Å; D327-K331 VanDerWaalsContact O-CG 3.31Å; D327-K331 WeakPolarHBondContact O-CG 3.41Å; D327-K331 PolarHBondContact O-N 3.06Å; D327-K331 IonicContact OD1-NZ 3.96Å; D327-K331 IonicContact OD2-NZ 2.8Å; D327-K331 PolarHBondContact OD2-NZ 3.11Å; D327-Y357 VanDerWaalsContact CG-OH 3.28Å; D327-Y357 PolarHBondContact OD2-OH 2.86Å; D327-T520 WeakPolarHBondContact OD1-CB 3.4Å; D327-T520 PolarHBondContact OD1-OG1 2.78Å
328	L	90.9	Very high	92.4	Very high	17 Å²	17	43.7 Å²	43.7	9%	0.089	18%	0.181	C	C	.	.	H	α-helix	trans	-70.1	-49.9	177.7	-179.4	166.8	0	0	0	110.1	F324 I325 A326 S332 F343 A347 Y350	F324-L328 HydrophobicContact CE1-CD1 3.99Å; F324-L328 HydrophobicContact CZ-CD1 4.44Å; F324-L328 VanDerWaalsContact O-CB 3.31Å; F324-L328 WeakPolarHBondContact O-CB 3.33Å; F324-L328 PolarHBondContact O-N 2.85Å; I325-L328 WeakPolarHBondContact O-CB 3.33Å; I325-L328 PolarHBondContact O-N 2.95Å; I325-L328 VanDerWaalsContact O-N 3.16Å; A326-L328 PolarHBondContact O-N 3.19Å; L328-S332 WeakPolarHBondContact O-CB 3.15Å; L328-S332 PolarHBondContact O-N 3.34Å; L328-S332 PolarHBondContact O-OG 3.28Å; L328-F343 HydrophobicContact CD2-CB 4.02Å; L328-F343 HydrophobicContact CD2-CD1 3.55Å; L328-F343 HydrophobicContact CD2-CG 4.28Å; L328-A347 HydrophobicContact CD1-CB 3.92Å; L328-Y350 HydrophobicContact CB-CD2 4.47Å
329	D	91.6	Very high	91.9	Very high	12 Å²	12	44 Å²	44	6%	0.064	19%	0.188	C	C	.	.	H	α-helix	trans	-63.3	-57.6	179.8	-172.2	12.5	0	0	0	110.7	E321 I325 A326 K331 S332 E333 R342 F343 M522	E321-D329 WeakPolarHBondContact OE2-CB 3.31Å; I325-D329 PolarHBondContact O-N 2.94Å; A326-D329 PolarHBondContact O-N 2.85Å; D329-K331 PolarHBondContact O-N 2.87Å; D329-S332 PolarHBondContact O-N 3.34Å; D329-S332 PolarHBondContact O-OG 3.33Å; D329-E333 PolarHBondContact O-N 3.07Å; D329-R342 PolarHBondContact O-NH1 3.33Å; D329-R342 IonicContact OD1-CZ 3.57Å; D329-R342 IonicContact OD1-NH1 2.85Å; D329-R342 PolarHBondContact OD1-NH1 3.28Å; D329-R342 IonicContact OD1-NH2 3.17Å; D329-R342 PolarHBondContact OD1-NH2 3.06Å; D329-F343 HydrophobicContact CB-CE1 4.18Å; D329-F343 VanDerWaalsContact OD1-CE1 3.27Å; D329-F343 WeakPolarHBondContact OD1-CE1 3.35Å; D329-M522 HydrophobicContact CB-CE 4.08Å; D329-M522 HydrophobicContact CB-SD 3.78Å; D329-M522 WeakPolarHBondContact OD2-CE 3.49Å
330	Y	93.5	Very high	91.5	Very high	116 Å²	116	45.9 Å²	45.9	46%	0.455	20%	0.197	S	C	.	.	H	α-helix	trans	-54.7	-50.8	-179.4	175.4	-113.8	0	0	0	112.7	A326 S332 E333 T520 M522 L527	A326-Y330 VanDerWaalsContact O-CB 3.28Å; A326-Y330 WeakPolarHBondContact O-CB 3.29Å; A326-Y330 PolarHBondContact O-N 3.42Å; Y330-S332 VanDerWaalsContact C-N 3.33Å; Y330-S332 PolarHBondContact O-N 3.18Å; Y330-E333 WeakPolarHBondContact O-CB 3.3Å; Y330-E333 PolarHBondContact O-N 3.43Å; Y330-T520 HydrophobicContact CD1-CG2 4.4Å; Y330-T520 HydrophobicContact CG-CG2 4.15Å; Y330-M522 PolarHBondContact N-SD 3.22Å; Y330-L527 HydrophobicContact CD2-CD1 4.32Å; Y330-L527 HydrophobicContact CD2-CD2 4.48Å; Y330-L527 HydrophobicContact CE2-CD2 3.97Å
331	K	92.2	Very high	91	Very high	79 Å²	79	53.2 Å²	53.2	34%	0.343	23%	0.229	S	C	.	.	H	α-helix	trans	-77.1	-21.2	-173.9	-60.6	-173.5	-127.3	166	0	112.6	D327 D329 E333 Y346 Y350	D327-K331 WeakPolarHBondContact O-CB 3.41Å; D327-K331 VanDerWaalsContact O-CG 3.31Å; D327-K331 WeakPolarHBondContact O-CG 3.41Å; D327-K331 PolarHBondContact O-N 3.06Å; D327-K331 IonicContact OD1-NZ 3.96Å; D327-K331 IonicContact OD2-NZ 2.8Å; D327-K331 PolarHBondContact OD2-NZ 3.11Å; D329-K331 PolarHBondContact O-N 2.87Å; K331-E333 VanDerWaalsContact C-N 3.28Å; K331-Y346 HydrophobicContact CB-CD1 4.26Å; K331-Y346 HydrophobicContact CB-CE1 3.62Å; K331-Y346 WeakPolarHBondContact O-CE1 3.21Å; K331-Y346 PolarHBondContact O-OH 2.99Å; K331-Y350 WeakPolarHBondContact CD-OH 2.93Å; K331-Y350 WeakPolarHBondContact CE-OH 3.22Å; K331-Y350 PolarHBondContact NZ-OH 2.89Å
332	S	92.8	Very high	90.7	Very high	0 Å²	0	53 Å²	53	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-79.9	-11.6	175.2	67.9	0	0	0	0	113.1	L328 D329 Y330 R334 F335 R342 Y346	L328-S332 WeakPolarHBondContact O-CB 3.15Å; L328-S332 PolarHBondContact O-N 3.34Å; L328-S332 PolarHBondContact O-OG 3.28Å; D329-S332 PolarHBondContact O-N 3.34Å; D329-S332 PolarHBondContact O-OG 3.33Å; Y330-S332 VanDerWaalsContact C-N 3.33Å; Y330-S332 PolarHBondContact O-N 3.18Å; S332-R334 PolarHBondContact O-N 3.47Å; S332-F335 WeakPolarHBondContact O-CA 3.12Å; S332-F335 PolarHBondContact O-N 2.89Å; S332-R342 PolarHBondContact OG-NH1 3.03Å; S332-Y346 VanDerWaalsContact CB-CD2 3.48Å; S332-Y346 VanDerWaalsContact CB-CG 3.43Å
333	E	90.6	Very high	90.3	Very high	70 Å²	70	54.8 Å²	54.8	33%	0.327	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-57.6	-31.1	-179	-169.3	59.4	-163.5	0	0	113.5	D329 Y330 K331 F335 R336 R342	D329-E333 PolarHBondContact O-N 3.07Å; Y330-E333 WeakPolarHBondContact O-CB 3.3Å; Y330-E333 PolarHBondContact O-N 3.43Å; K331-E333 VanDerWaalsContact C-N 3.28Å; E333-F335 PolarHBondContact O-N 3.13Å; E333-R336 VanDerWaalsContact O-CB 3.3Å; E333-R336 WeakPolarHBondContact O-CB 3.36Å; E333-R336 PolarHBondContact O-N 3.16Å; E333-R336 WeakPolarHBondContact OE1-CD 3.21Å; E333-R336 IonicContact OE1-CZ 3.42Å; E333-R336 IonicContact OE1-NE 3.86Å; E333-R336 IonicContact OE1-NH1 2.78Å; E333-R336 PolarHBondContact OE1-NH1 2.87Å; E333-R336 IonicContact OE2-NH1 3.78Å; E333-R336 PolarHBondContact OE2-NH1 3.11Å; E333-R342 IonicContact OE2-CZ 2.94Å; E333-R342 IonicContact OE2-NE 2.98Å; E333-R342 IonicContact OE2-NH1 3.32Å; E333-R342 PolarHBondContact OE2-NH1 3.48Å; E333-R342 IonicContact OE2-NH2 2.72Å; E333-R342 PolarHBondContact OE2-NH2 2.85Å
334	R	90.4	Very high	90	Very high	182 Å²	182	60.5 Å²	60.5	69%	0.687	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-59.9	-15.1	172	69.9	-178.6	174	-171.5	-8.6	114.2	S332 Y346	S332-R334 PolarHBondContact O-N 3.47Å; R334-Y346 PolarHBondContact NE-OH 3.26Å; R334-Y346 PolarHBondContact NH2-OH 3.27Å
335	F	89.8	Confident	89.7	Confident	59 Å²	59	63.6 Å²	63.6	26%	0.259	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-111.6	24.7	174.8	-57.1	-72.3	0	0	0	112.4	S332 E333 W337 M338 R342 Y346	S332-F335 WeakPolarHBondContact O-CA 3.12Å; S332-F335 PolarHBondContact O-N 2.89Å; E333-F335 PolarHBondContact O-N 3.13Å; F335-W337 PolarHBondContact O-N 3.23Å; F335-M338 HydrophobicContact CB-CG 4.38Å; F335-M338 HydrophobicContact CB-SD 3.91Å; F335-M338 HydrophobicContact CD1-SD 4.33Å; F335-M338 HydrophobicContact CG-SD 4.34Å; F335-M338 WeakPolarHBondContact O-CB 3.31Å; F335-M338 PolarHBondContact O-N 3.18Å; F335-R342 HydrophobicContact CB-CB 4.22Å; F335-Y346 HydrophobicContact CD2-CD2 4.48Å; F335-Y346 AromaticContact CD2-CE2 3.4Å; F335-Y346 HydrophobicContact CD2-CE2 3.4Å; F335-Y346 AromaticContact CD2-CZ 3.89Å; F335-Y346 WeakPolarHBondContact CD2-OH 3.5Å; F335-Y346 AromaticContact CE2-CE2 3.52Å; F335-Y346 HydrophobicContact CE2-CE2 3.52Å; F335-Y346 AromaticContact CE2-CZ 3.82Å; F335-Y346 WeakPolarHBondContact CE2-OH 2.99Å
336	R	87.2	Confident	89.5	Confident	71 Å²	71	62.9 Å²	62.9	27%	0.268	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-52	-31.3	179.3	-161.5	-171.5	-170.5	75.6	-4.9	113.3	E333 M338 G339	E333-R336 VanDerWaalsContact O-CB 3.3Å; E333-R336 WeakPolarHBondContact O-CB 3.36Å; E333-R336 PolarHBondContact O-N 3.16Å; E333-R336 WeakPolarHBondContact OE1-CD 3.21Å; E333-R336 IonicContact OE1-CZ 3.42Å; E333-R336 IonicContact OE1-NE 3.86Å; E333-R336 IonicContact OE1-NH1 2.78Å; E333-R336 PolarHBondContact OE1-NH1 2.87Å; E333-R336 IonicContact OE2-NH1 3.78Å; E333-R336 PolarHBondContact OE2-NH1 3.11Å; R336-M338 PolarHBondContact O-N 3.41Å; R336-M338 VanDerWaalsContact O-N 3.13Å; R336-G339 PolarHBondContact O-N 2.93Å
337	W	86	Confident	89.1	Confident	185 Å²	185	64.2 Å²	64.2	70%	0.701	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-58.7	-22.1	176	66.4	-97.7	0	0	0	113.9	F335 G339	F335-W337 PolarHBondContact O-N 3.23Å; W337-G339 VanDerWaalsContact C-N 3.27Å; W337-G339 PolarHBondContact O-N 2.94Å
338	M	87	Confident	88.8	Confident	54 Å²	54	67 Å²	67	27%	0.266	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-78.7	-7.7	175.1	-66.5	177.8	40.9	0	0	113.7	F335 R336 K341 L345	F335-M338 HydrophobicContact CB-CG 4.38Å; F335-M338 HydrophobicContact CB-SD 3.91Å; F335-M338 HydrophobicContact CD1-SD 4.33Å; F335-M338 HydrophobicContact CG-SD 4.34Å; F335-M338 WeakPolarHBondContact O-CB 3.31Å; F335-M338 PolarHBondContact O-N 3.18Å; R336-M338 PolarHBondContact O-N 3.41Å; R336-M338 VanDerWaalsContact O-N 3.13Å; M338-K341 HydrophobicContact CE-CB 4.05Å; M338-L345 HydrophobicContact CE-CB 4.47Å; M338-L345 HydrophobicContact CE-CD2 4.08Å; M338-L345 HydrophobicContact SD-CD2 4.3Å
339	G	86.4	Confident	88.4	Confident	19 Å²	19	72.1 Å²	72.1	20%	0.196	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	-149	-170.6	0	0	0	0	0	112.1	R336 W337 K341 R342	R336-G339 PolarHBondContact O-N 2.93Å; W337-G339 VanDerWaalsContact C-N 3.27Å; W337-G339 PolarHBondContact O-N 2.94Å; G339-K341 PolarHBondContact O-N 3.32Å; G339-R342 WeakPolarHBondContact O-CB 3.2Å; G339-R342 VanDerWaalsContact O-CG 3.26Å; G339-R342 WeakPolarHBondContact O-CG 3.32Å; G339-R342 PolarHBondContact O-N 3.03Å; G339-R342 VanDerWaalsContact O-N 3.08Å
340	E	86.8	Confident	87.9	Confident	39 Å²	39	72.2 Å²	72.2	18%	0.182	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.9	-175.4	-54.6	-172.5	157.7	0	0	114.5	S237 A238 R342 F343 T452 S453 S454	S237-E340 WeakPolarHBondContact O-CG 3.18Å; A238-E340 WeakPolarHBondContact CA-OE1 3.09Å; E340-R342 PolarHBondContact O-N 3.2Å; E340-R342 VanDerWaalsContact O-N 3.1Å; E340-F343 HydrophobicContact CB-CD2 4.22Å; E340-F343 WeakPolarHBondContact O-CB 3.42Å; E340-F343 VanDerWaalsContact O-CD2 3.3Å; E340-F343 WeakPolarHBondContact O-CD2 3.27Å; E340-F343 PolarHBondContact O-N 3.29Å; E340-F343 VanDerWaalsContact O-N 3.08Å; E340-T452 WeakPolarHBondContact OE1-CB 3.02Å; E340-S453 WeakPolarHBondContact OE1-CA 3.36Å; E340-S453 WeakPolarHBondContact OE1-CB 3.35Å; E340-S453 PolarHBondContact OE1-N 2.85Å; E340-S453 PolarHBondContact OE1-OG 3.44Å; E340-S454 VanDerWaalsContact OE2-CB 3.27Å; E340-S454 WeakPolarHBondContact OE2-CB 3.32Å; E340-S454 PolarHBondContact OE2-OG 3.46Å
341	K	88.2	Confident	87.3	Confident	155 Å²	155	68 Å²	68	67%	0.674	31%	0.312	S	S	*	.	H	α-helix	trans	-59.9	-22.9	176	-64.7	179.8	-176.9	176.7	0	112.4	M338 G339 F343 L344 L345	M338-K341 HydrophobicContact CE-CB 4.05Å; G339-K341 PolarHBondContact O-N 3.32Å; K341-F343 PolarHBondContact O-N 3.11Å; K341-L344 PolarHBondContact O-N 2.79Å; K341-L345 PolarHBondContact O-N 2.81Å
342	R	90.8	Very high	86.7	Confident	5 Å²	5	70.6 Å²	70.6	2%	0.019	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-37.5	175.5	77.5	-175.3	176.1	91.1	-14.3	112.1	D329 S332 E333 F335 G339 E340 L345 Y346	D329-R342 PolarHBondContact O-NH1 3.33Å; D329-R342 IonicContact OD1-CZ 3.57Å; D329-R342 IonicContact OD1-NH1 2.85Å; D329-R342 PolarHBondContact OD1-NH1 3.28Å; D329-R342 IonicContact OD1-NH2 3.17Å; D329-R342 PolarHBondContact OD1-NH2 3.06Å; S332-R342 PolarHBondContact OG-NH1 3.03Å; E333-R342 IonicContact OE2-CZ 2.94Å; E333-R342 IonicContact OE2-NE 2.98Å; E333-R342 IonicContact OE2-NH1 3.32Å; E333-R342 PolarHBondContact OE2-NH1 3.48Å; E333-R342 IonicContact OE2-NH2 2.72Å; E333-R342 PolarHBondContact OE2-NH2 2.85Å; F335-R342 HydrophobicContact CB-CB 4.22Å; G339-R342 WeakPolarHBondContact O-CB 3.2Å; G339-R342 VanDerWaalsContact O-CG 3.26Å; G339-R342 WeakPolarHBondContact O-CG 3.32Å; G339-R342 PolarHBondContact O-N 3.03Å; G339-R342 VanDerWaalsContact O-N 3.08Å; E340-R342 PolarHBondContact O-N 3.2Å; E340-R342 VanDerWaalsContact O-N 3.1Å; R342-L345 PolarHBondContact O-N 3.18Å; R342-Y346 WeakPolarHBondContact O-CD2 3.48Å; R342-Y346 PolarHBondContact O-N 2.67Å; R342-Y346 VanDerWaalsContact O-N 3.08Å
343	F	88.4	Confident	86.2	Confident	37 Å²	37	76.7 Å²	76.7	16%	0.162	35%	0.354	C	S	.	.	H	α-helix	trans	-67.8	-43.5	179.6	-58.9	-63.6	0	0	0	111.1	A238 L328 D329 E340 K341 Y346 A347 T452	A238-F343 HydrophobicContact CB-CE2 4.23Å; L328-F343 HydrophobicContact CD2-CB 4.02Å; L328-F343 HydrophobicContact CD2-CD1 3.55Å; L328-F343 HydrophobicContact CD2-CG 4.28Å; D329-F343 HydrophobicContact CB-CE1 4.18Å; D329-F343 VanDerWaalsContact OD1-CE1 3.27Å; D329-F343 WeakPolarHBondContact OD1-CE1 3.35Å; E340-F343 HydrophobicContact CB-CD2 4.22Å; E340-F343 WeakPolarHBondContact O-CB 3.42Å; E340-F343 VanDerWaalsContact O-CD2 3.3Å; E340-F343 WeakPolarHBondContact O-CD2 3.27Å; E340-F343 PolarHBondContact O-N 3.29Å; E340-F343 VanDerWaalsContact O-N 3.08Å; K341-F343 PolarHBondContact O-N 3.11Å; F343-Y346 PolarHBondContact O-N 2.93Å; F343-A347 VanDerWaalsContact O-CB 3.3Å; F343-A347 WeakPolarHBondContact O-CB 3.29Å; F343-A347 PolarHBondContact O-N 3.42Å; F343-T452 HydrophobicContact CD2-CG2 4.02Å; F343-T452 HydrophobicContact CE2-CG2 3.9Å
344	L	86.6	Confident	85.8	Confident	119 Å²	119	76.2 Å²	76.2	62%	0.623	35%	0.351	S	S	*	.	H	α-helix	trans	-64.3	-43.4	177.2	-179.6	61.1	0	0	0	111.8	K341 Y346 A347 C348	K341-L344 PolarHBondContact O-N 2.79Å; L344-Y346 VanDerWaalsContact C-N 3.28Å; L344-Y346 PolarHBondContact O-N 3.28Å; L344-A347 PolarHBondContact O-N 3.22Å; L344-C348 PolarHBondContact O-N 3.1Å; L344-C348 PolarHBondContact O-SG 2.83Å; L344-C348 VanDerWaalsContact O-SG 3.35Å
345	L	86.6	Confident	85.7	Confident	81 Å²	81	69.1 Å²	69.1	42%	0.424	33%	0.328	S	S	.	.	H	α-helix	trans	-56.3	-45.7	175.8	175.2	63.6	0	0	0	111.1	M338 K341 R342 C348 Y349	M338-L345 HydrophobicContact CE-CB 4.47Å; M338-L345 HydrophobicContact CE-CD2 4.08Å; M338-L345 HydrophobicContact SD-CD2 4.3Å; K341-L345 PolarHBondContact O-N 2.81Å; R342-L345 PolarHBondContact O-N 3.18Å; L345-C348 PolarHBondContact O-N 2.93Å; L345-Y349 PolarHBondContact O-N 2.86Å
346	Y	87.4	Confident	85.9	Confident	9 Å²	9	68.8 Å²	68.8	4%	0.035	33%	0.331	C	S	.	.	H	α-helix	trans	-76.7	-34	-178.3	-88.6	-118.8	0	0	0	113.4	K331 S332 R334 F335 R342 F343 L344 C348 Y349 Y350	K331-Y346 HydrophobicContact CB-CD1 4.26Å; K331-Y346 HydrophobicContact CB-CE1 3.62Å; K331-Y346 WeakPolarHBondContact O-CE1 3.21Å; K331-Y346 PolarHBondContact O-OH 2.99Å; S332-Y346 VanDerWaalsContact CB-CD2 3.48Å; S332-Y346 VanDerWaalsContact CB-CG 3.43Å; R334-Y346 PolarHBondContact NE-OH 3.26Å; R334-Y346 PolarHBondContact NH2-OH 3.27Å; F335-Y346 HydrophobicContact CD2-CD2 4.48Å; F335-Y346 AromaticContact CD2-CE2 3.4Å; F335-Y346 HydrophobicContact CD2-CE2 3.4Å; F335-Y346 AromaticContact CD2-CZ 3.89Å; F335-Y346 WeakPolarHBondContact CD2-OH 3.5Å; F335-Y346 AromaticContact CE2-CE2 3.52Å; F335-Y346 HydrophobicContact CE2-CE2 3.52Å; F335-Y346 AromaticContact CE2-CZ 3.82Å; F335-Y346 WeakPolarHBondContact CE2-OH 2.99Å; R342-Y346 WeakPolarHBondContact O-CD2 3.48Å; R342-Y346 PolarHBondContact O-N 2.67Å; R342-Y346 VanDerWaalsContact O-N 3.08Å; F343-Y346 PolarHBondContact O-N 2.93Å; L344-Y346 VanDerWaalsContact C-N 3.28Å; L344-Y346 PolarHBondContact O-N 3.28Å; Y346-C348 VanDerWaalsContact C-N 3.29Å; Y346-C348 PolarHBondContact O-N 2.8Å; Y346-Y349 PolarHBondContact O-N 2.78Å; Y346-Y350 HydrophobicContact CD1-CD2 4.23Å; Y346-Y350 AromaticContact CD1-CE2 3.74Å; Y346-Y350 HydrophobicContact CD1-CE2 3.74Å; Y346-Y350 HydrophobicContact CE1-CE2 4.41Å; Y346-Y350 WeakPolarHBondContact O-CB 3.44Å; Y346-Y350 VanDerWaalsContact O-CD2 3.28Å; Y346-Y350 WeakPolarHBondContact O-CD2 3.45Å; Y346-Y350 PolarHBondContact O-N 3.33Å
347	A	86.9	Confident	86.2	Confident	27 Å²	27	66.4 Å²	66.4	22%	0.223	32%	0.322	C	S	.	.	H	α-helix	trans	-55	-49.6	169.3	0	0	0	0	0	109.7	L328 F343 L344 Y349 Y350 L351	L328-A347 HydrophobicContact CD1-CB 3.92Å; F343-A347 VanDerWaalsContact O-CB 3.3Å; F343-A347 WeakPolarHBondContact O-CB 3.29Å; F343-A347 PolarHBondContact O-N 3.42Å; L344-A347 PolarHBondContact O-N 3.22Å; A347-Y349 PolarHBondContact O-N 2.81Å; A347-Y350 PolarHBondContact O-N 2.77Å; A347-L351 WeakPolarHBondContact O-CB 3.19Å; A347-L351 WeakPolarHBondContact O-CG 3.39Å; A347-L351 PolarHBondContact O-N 3.04Å
348	C	85.5	Confident	86.7	Confident	71 Å²	71	62.9 Å²	62.9	48%	0.48	31%	0.309	S	S	.	.	H	α-helix	trans	-58.3	-44	175.8	-70.2	0	0	0	0	113	L344 L345 Y346	L344-C348 PolarHBondContact O-N 3.1Å; L344-C348 PolarHBondContact O-SG 2.83Å; L344-C348 VanDerWaalsContact O-SG 3.35Å; L345-C348 PolarHBondContact O-N 2.93Å; Y346-C348 VanDerWaalsContact C-N 3.29Å; Y346-C348 PolarHBondContact O-N 2.8Å
349	Y	81.9	Confident	87.1	Confident	125 Å²	125	60.3 Å²	60.3	49%	0.49	30%	0.296	S	S	.	.	H	α-helix	trans	-62.5	-43.2	177.3	177.5	-105	0	0	0	112.6	L345 Y346 A347 K353	L345-Y349 PolarHBondContact O-N 2.86Å; Y346-Y349 PolarHBondContact O-N 2.78Å; A347-Y349 PolarHBondContact O-N 2.81Å; Y349-K353 HydrophobicContact CE1-CD 4.32Å; Y349-K353 WeakPolarHBondContact OH-CE 3.44Å; Y349-K353 PolarHBondContact OH-NZ 2.92Å
350	Y	80.3	Confident	87.6	Confident	13 Å²	13	61.2 Å²	61.2	5%	0.051	29%	0.294	C	S	.	.	H	α-helix	trans	-85.1	-18.6	-176	-77.8	-70.5	0	0	0	114.9	F324 L328 K331 Y346 A347 M352 K353 K354	F324-Y350 HydrophobicContact CE2-CG 4.31Å; L328-Y350 HydrophobicContact CB-CD2 4.47Å; K331-Y350 WeakPolarHBondContact CD-OH 2.93Å; K331-Y350 WeakPolarHBondContact CE-OH 3.22Å; K331-Y350 PolarHBondContact NZ-OH 2.89Å; Y346-Y350 HydrophobicContact CD1-CD2 4.23Å; Y346-Y350 AromaticContact CD1-CE2 3.74Å; Y346-Y350 HydrophobicContact CD1-CE2 3.74Å; Y346-Y350 HydrophobicContact CE1-CE2 4.41Å; Y346-Y350 WeakPolarHBondContact O-CB 3.44Å; Y346-Y350 VanDerWaalsContact O-CD2 3.28Å; Y346-Y350 WeakPolarHBondContact O-CD2 3.45Å; Y346-Y350 PolarHBondContact O-N 3.33Å; A347-Y350 PolarHBondContact O-N 2.77Å; Y350-M352 PolarHBondContact O-N 2.83Å; Y350-M352 VanDerWaalsContact O-N 3.11Å; Y350-K353 HydrophobicContact CD1-CB 4.41Å; Y350-K353 HydrophobicContact CD1-CD 4.15Å; Y350-K353 HydrophobicContact CE1-CD 4.3Å; Y350-K353 PolarHBondContact O-N 2.79Å; Y350-K354 PolarHBondContact O-N 3.15Å
351	L	82.5	Confident	88.1	Confident	28 Å²	28	59.3 Å²	59.3	15%	0.147	29%	0.286	C	S	.	.	H	α-helix	trans	-52.7	-31.7	171.2	-84.2	171.5	0	0	0	112.2	A347 R479 L482 L483	A347-L351 WeakPolarHBondContact O-CB 3.19Å; A347-L351 WeakPolarHBondContact O-CG 3.39Å; A347-L351 PolarHBondContact O-N 3.04Å; L351-R479 WeakPolarHBondContact O-CD 3.4Å; L351-R479 PolarHBondContact O-NE 3.45Å; L351-L482 HydrophobicContact CD2-CB 3.34Å; L351-L482 HydrophobicContact CD2-CD1 3.8Å; L351-L482 HydrophobicContact CD2-CG 4.22Å; L351-L483 HydrophobicContact CD1-CD2 3.66Å; L351-L483 HydrophobicContact CD1-CG 4.26Å; L351-L483 HydrophobicContact CD2-CG 4.5Å
352	M	79.3	Confident	88.5	Confident	134 Å²	134	52 Å²	52	66%	0.66	25%	0.254	S	S	*	.	H	α-helix	trans	-75.8	-38.3	177.5	-66.6	-56.5	-66.5	0	0	113	Y350 R479	Y350-M352 PolarHBondContact O-N 2.83Å; Y350-M352 VanDerWaalsContact O-N 3.11Å; M352-R479 PolarHBondContact O-NH2 2.96Å
353	K	82.1	Confident	88.7	Confident	127 Å²	127	52.7 Å²	52.7	55%	0.552	26%	0.257	S	S	*	.	H	α-helix	trans	-79.4	-34.6	-175	-69.9	-172.8	172.8	-174.9	0	113.8	Y349 Y350	Y349-K353 HydrophobicContact CE1-CD 4.32Å; Y349-K353 WeakPolarHBondContact OH-CE 3.44Å; Y349-K353 PolarHBondContact OH-NZ 2.92Å; Y350-K353 HydrophobicContact CD1-CB 4.41Å; Y350-K353 HydrophobicContact CD1-CD 4.15Å; Y350-K353 HydrophobicContact CE1-CD 4.3Å; Y350-K353 PolarHBondContact O-N 2.79Å
354	K	82	Confident	88.9	Confident	61 Å²	61	51 Å²	51	27%	0.265	25%	0.249	S	C	.	.			trans	39.2	61.1	-177.2	-166.4	-166.9	156.6	177.8	0	112.8	Y350 E475 T477	Y350-K354 PolarHBondContact O-N 3.15Å; K354-E475 WeakPolarHBondContact CE-O 3.38Å; K354-E475 PolarHBondContact NZ-O 2.89Å; K354-T477 WeakPolarHBondContact CE-O 3.29Å; K354-T477 PolarHBondContact NZ-O 3.44Å
355	P	88.9	Confident	89.3	Confident	32 Å²	32	46 Å²	46	21%	0.208	22%	0.224	C	C	.	.			trans	-62.4	149.3	176.9	30	-36.6	0	0	0	111.1	F324 Y357	F324-P355 HydrophobicContact CD2-CG 3.85Å; P355-Y357 HydrophobicContact CB-CE2 3.92Å; P355-Y357 HydrophobicContact CG-CE2 4.05Å; P355-Y357 WeakPolarHBondContact CG-OH 3.49Å
356	T	92.9	Very high	89.6	Confident	53 Å²	53	43.6 Å²	43.6	33%	0.325	21%	0.21	S	C	.	.			trans	-133.8	141	174.8	60.4	0	0	0	0	109.2	F440 V441 E475	T356-F440 CarbonylContact C-O 3.37Å; T356-F440 VanDerWaalsContact CA-O 3.3Å; T356-F440 WeakPolarHBondContact CA-O 3.5Å; T356-V441 HydrophobicContact CG2-CG2 4.26Å; T356-E475 HydrophobicContact CG2-CG 4.18Å
357	Y	94.6	Very high	89.6	Confident	21 Å²	21	48.5 Å²	48.5	8%	0.082	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.9	-170.7	-52	-90.6	0	0	0	108.7	W322 F324 D327 P355 K439 F440 V441 V519	W322-Y357 HydrophobicContact CH2-CG 4.34Å; F324-Y357 HydrophobicContact CB-CE2 4.34Å; F324-Y357 VanDerWaalsContact N-CE2 3.26Å; D327-Y357 VanDerWaalsContact CG-OH 3.28Å; D327-Y357 PolarHBondContact OD2-OH 2.86Å; P355-Y357 HydrophobicContact CB-CE2 3.92Å; P355-Y357 HydrophobicContact CG-CE2 4.05Å; P355-Y357 WeakPolarHBondContact CG-OH 3.49Å; Y357-K439 CarbonylContact O-C 3.52Å; Y357-K439 WeakPolarHBondContact O-CA 3.41Å; Y357-F440 PolarHBondContact N-O 2.91Å; Y357-F440 PolarHBondContact O-N 2.86Å; Y357-V441 WeakPolarHBondContact CD2-O 3.45Å; Y357-V441 WeakPolarHBondContact CE2-O 3.37Å; Y357-V519 HydrophobicContact CD1-CB 4.16Å; Y357-V519 HydrophobicContact CD1-CG1 3.55Å; Y357-V519 HydrophobicContact CD1-CG2 3.65Å; Y357-V519 HydrophobicContact CE1-CG1 3.93Å; Y357-V519 HydrophobicContact CE1-CG2 4.41Å; Y357-V519 HydrophobicContact CG-CG1 3.97Å; Y357-V519 HydrophobicContact CG-CG2 4.38Å
358	R	95.7	Very high	89.4	Confident	111 Å²	111	49 Å²	49	42%	0.419	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.2	179.1	-168.9	-177.7	178.2	112.2	12.6	110.1	D437 K439 Y514	R358-D437 IonicContact CZ-OD1 3.73Å; R358-D437 IonicContact NE-OD1 3.83Å; R358-D437 IonicContact NH2-OD1 3.6Å; R358-D437 PolarHBondContact NH2-OD1 3.11Å; R358-D437 IonicContact NH2-OD2 2.68Å; R358-K439 HydrophobicContact CB-CG 4.01Å; R358-K439 HydrophobicContact CG-CG 4.26Å; R358-Y514 HydrophobicContact CB-CD2 4.46Å; R358-Y514 HydrophobicContact CG-CD2 3.78Å; R358-Y514 HydrophobicContact CG-CE2 4.35Å; R358-Y514 HydrophobicContact CG-CG 4.23Å; R358-Y514 PolarHBondContact O-N 2.94Å
359	A	96.2	Very high	89.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	160.6	176.6	0	0	0	0	0	110.9	W322 K438 F440 I511 E512	W322-A359 HydrophobicContact CH2-CB 3.6Å; W322-A359 HydrophobicContact CZ2-CB 3.8Å; W322-A359 HydrophobicContact CZ3-CB 4.49Å; A359-K438 PolarHBondContact N-O 2.9Å; A359-K438 PolarHBondContact O-N 2.89Å; A359-K438 VanDerWaalsContact O-O 3.06Å; A359-F440 HydrophobicContact CB-CD2 4.34Å; A359-F440 HydrophobicContact CB-CE2 4.26Å; A359-F440 WeakPolarHBondContact O-CE2 3.48Å; A359-I511 HydrophobicContact CB-CG2 4Å; A359-E512 CarbonylContact C-O 3.43Å; A359-E512 VanDerWaalsContact CA-O 3.28Å; A359-E512 WeakPolarHBondContact CA-O 3.26Å
360	K	95.9	Very high	88.7	Confident	37 Å²	37	44.6 Å²	44.6	16%	0.161	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111	161	175.5	171.8	166	-111.7	0	108.3	T435 L436 D437 E512 Y514	K360-T435 HydrophobicContact CD-CG2 4.16Å; K360-T435 HydrophobicContact CG-CG2 3.77Å; K360-L436 WeakPolarHBondContact CA-O 3.23Å; K360-D437 HydrophobicContact CB-CB 4.44Å; K360-E512 HydrophobicContact CB-CB 4.17Å; K360-E512 WeakPolarHBondContact CD-OE2 3.39Å; K360-E512 WeakPolarHBondContact CE-OE2 3.31Å; K360-E512 WeakPolarHBondContact CG-OE2 3.49Å; K360-E512 PolarHBondContact N-O 2.85Å; K360-E512 IonicContact NZ-OE1 3.37Å; K360-E512 IonicContact NZ-OE2 3.78Å; K360-E512 PolarHBondContact NZ-OE2 3.32Å; K360-E512 PolarHBondContact O-N 3.27Å; K360-Y514 HydrophobicContact CB-CE2 4.41Å
361	L	96.8	Very high	87.9	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.9	175.1	167.5	63.8	0	0	0	108.2	Y363 T435 L436 F440 I443 L470 I472 L509 I511	L361-Y363 HydrophobicContact CD1-CD1 4.46Å; L361-Y363 HydrophobicContact CD2-CD1 4.19Å; L361-Y363 HydrophobicContact CD2-CE1 4.46Å; L361-Y363 HydrophobicContact CG-CD1 4.04Å; L361-T435 CarbonylContact O-C 3.58Å; L361-T435 VanDerWaalsContact O-CA 3.31Å; L361-T435 WeakPolarHBondContact O-CA 3.3Å; L361-L436 PolarHBondContact N-O 3.29Å; L361-L436 PolarHBondContact O-N 3.44Å; L361-F440 HydrophobicContact CB-CE2 4.29Å; L361-F440 HydrophobicContact CB-CZ 4.07Å; L361-I443 HydrophobicContact CB-CD1 4.12Å; L361-I443 HydrophobicContact CD1-CD1 4.43Å; L361-I443 HydrophobicContact CD2-CD1 3.99Å; L361-I443 HydrophobicContact CD2-CG1 4.41Å; L361-I443 HydrophobicContact CD2-CG2 4.48Å; L361-I443 HydrophobicContact CG-CD1 4.4Å; L361-L470 HydrophobicContact CD2-CD2 4.38Å; L361-I472 HydrophobicContact CD2-CD1 3.58Å; L361-I472 HydrophobicContact CD2-CG1 3.93Å; L361-L509 HydrophobicContact CD1-CD1 4.45Å; L361-I511 HydrophobicContact CD1-CD1 4.41Å; L361-I511 HydrophobicContact CD1-CG1 3.99Å
362	S	96.2	Very high	86.7	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.1	169.5	-56.3	0	0	0	0	109	V434 T435 L509 R510	S362-V434 CarbonylContact C-O 3.58Å; S362-V434 VanDerWaalsContact CA-O 3.27Å; S362-V434 WeakPolarHBondContact CA-O 3.46Å; S362-T435 PolarHBondContact OG-OG1 2.72Å; S362-T435 VanDerWaalsContact OG-OG1 3.12Å; S362-L509 CarbonylContact O-C 3.56Å; S362-L509 WeakPolarHBondContact O-CA 3.28Å; S362-R510 PolarHBondContact N-O 2.83Å; S362-R510 PolarHBondContact O-N 3.45Å
363	Y	95.7	Very high	85.8	Confident	20 Å²	20	50.8 Å²	50.8	8%	0.078	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.5	177.4	63	-89.9	0	0	0	112.4	L361 P365 V434 L436 L470 I472 V504 V506 A508	L361-Y363 HydrophobicContact CD1-CD1 4.46Å; L361-Y363 HydrophobicContact CD2-CD1 4.19Å; L361-Y363 HydrophobicContact CD2-CE1 4.46Å; L361-Y363 HydrophobicContact CG-CD1 4.04Å; Y363-P365 HydrophobicContact CD2-CG 4.1Å; Y363-P365 HydrophobicContact CE2-CG 3.94Å; Y363-P365 WeakPolarHBondContact O-CD 3.26Å; Y363-V434 HydrophobicContact CD1-CB 4.36Å; Y363-V434 HydrophobicContact CD2-CB 4.28Å; Y363-V434 HydrophobicContact CE1-CB 3.88Å; Y363-V434 HydrophobicContact CE1-CG1 3.79Å; Y363-V434 HydrophobicContact CE2-CB 3.78Å; Y363-V434 HydrophobicContact CE2-CG1 4.28Å; Y363-V434 HydrophobicContact CE2-CG2 4.06Å; Y363-V434 PolarHBondContact N-O 2.71Å; Y363-V434 PolarHBondContact O-N 2.73Å; Y363-V434 WeakPolarHBondContact OH-CG1 3.1Å; Y363-L436 HydrophobicContact CE1-CD1 4.26Å; Y363-L470 HydrophobicContact CD1-CD2 3.64Å; Y363-L470 HydrophobicContact CD2-CD2 4.08Å; Y363-L470 HydrophobicContact CE1-CD2 4.16Å; Y363-L470 HydrophobicContact CG-CD2 3.58Å; Y363-I472 HydrophobicContact CE1-CD1 4.13Å; Y363-V504 HydrophobicContact CD2-CG1 4.49Å; Y363-V504 HydrophobicContact CE2-CB 4.36Å; Y363-V504 HydrophobicContact CE2-CG1 3.9Å; Y363-V504 HydrophobicContact CE2-CG2 4.47Å; Y363-V506 HydrophobicContact CD2-CG1 3.59Å; Y363-V506 HydrophobicContact CE2-CG1 4.39Å; Y363-V506 HydrophobicContact CG-CG1 4.11Å; Y363-A508 CarbonylContact C-O 3.48Å; Y363-A508 WeakPolarHBondContact CA-O 3.38Å
364	L	93.6	Very high	84.9	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	105.6	177.4	177.9	54.6	0	0	0	109.9	N368 V369 F418 D431 W433 V506 C507 A508	L364-N368 HydrophobicContact CD1-CB 4.43Å; L364-V369 HydrophobicContact CD1-CG2 4.12Å; L364-V369 HydrophobicContact CD2-CG2 3.76Å; L364-V369 HydrophobicContact CG-CG2 3.85Å; L364-F418 HydrophobicContact CD2-CB 4.16Å; L364-F418 HydrophobicContact CD2-CD1 3.78Å; L364-F418 HydrophobicContact CD2-CG 4.22Å; L364-D431 HydrophobicContact CD1-CB 3.67Å; L364-D431 WeakPolarHBondContact CD1-O 3.01Å; L364-D431 HydrophobicContact CD2-CB 4.3Å; L364-W433 HydrophobicContact CB-CD2 4.04Å; L364-W433 HydrophobicContact CB-CE3 4.19Å; L364-W433 HydrophobicContact CB-CH2 4Å; L364-W433 HydrophobicContact CB-CZ2 3.86Å; L364-W433 HydrophobicContact CB-CZ3 4.18Å; L364-W433 HydrophobicContact CD2-CZ2 4.29Å; L364-V506 CarbonylContact O-C 3.59Å; L364-V506 VanDerWaalsContact O-CA 3.26Å; L364-V506 WeakPolarHBondContact O-CA 3.18Å; L364-C507 HydrophobicContact CD2-CB 4.32Å; L364-C507 HydrophobicContact CG-CB 4.44Å; L364-C507 PolarHBondContact O-N 3.48Å; L364-A508 HydrophobicContact CB-CB 4.48Å; L364-A508 PolarHBondContact N-O 2.72Å
365	P	94.8	Very high	83.4	Confident	15 Å²	15	51.5 Å²	51.5	10%	0.097	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	135.2	176.1	-22.4	32.5	0	0	0	112.3	Y363 D367 N368 V434 K505	Y363-P365 HydrophobicContact CD2-CG 4.1Å; Y363-P365 HydrophobicContact CE2-CG 3.94Å; Y363-P365 WeakPolarHBondContact O-CD 3.26Å; P365-D367 VanDerWaalsContact C-N 3.26Å; P365-D367 PolarHBondContact O-N 2.99Å; P365-N368 HydrophobicContact CB-CB 4.45Å; P365-N368 WeakPolarHBondContact O-CB 3.31Å; P365-N368 PolarHBondContact O-N 3.46Å; P365-N368 VanDerWaalsContact O-N 3.1Å; P365-V434 HydrophobicContact CG-CG2 3.86Å; P365-K505 WeakPolarHBondContact CA-O 3.4Å
366	F	91.5	Very high	81.6	Confident	30 Å²	30	57.6 Å²	57.6	13%	0.132	26%	0.264	C	S	.	.	H	α-helix	trans	-59.2	-37.4	178.4	179.1	-112.3	0	0	0	112.4	N368 V369 L370 P466 Y467 K505	F366-N368 PolarHBondContact O-N 3Å; F366-V369 PolarHBondContact O-N 2.92Å; F366-V369 VanDerWaalsContact O-N 3.09Å; F366-L370 HydrophobicContact CD1-CD1 3.8Å; F366-L370 HydrophobicContact CD1-CG 4.1Å; F366-L370 HydrophobicContact CE1-CD1 3.38Å; F366-L370 HydrophobicContact CE1-CD2 4.06Å; F366-L370 HydrophobicContact CE1-CG 3.69Å; F366-L370 HydrophobicContact CE2-CD2 4.42Å; F366-L370 HydrophobicContact CE2-CG 4.38Å; F366-L370 HydrophobicContact CZ-CD1 4Å; F366-L370 HydrophobicContact CZ-CD2 3.77Å; F366-L370 HydrophobicContact CZ-CG 3.83Å; F366-L370 PolarHBondContact O-N 2.84Å; F366-P466 HydrophobicContact CE2-CB 4.24Å; F366-P466 HydrophobicContact CE2-CG 3.91Å; F366-P466 HydrophobicContact CZ-CB 4.45Å; F366-P466 HydrophobicContact CZ-CG 3.66Å; F366-Y467 HydrophobicContact CB-CG 4.48Å; F366-Y467 AromaticContact CD1-CD1 3.61Å; F366-Y467 HydrophobicContact CD1-CD1 3.61Å; F366-Y467 HydrophobicContact CD1-CE1 4.3Å; F366-Y467 HydrophobicContact CD1-CG 4.28Å; F366-Y467 HydrophobicContact CD2-CD1 4.17Å; F366-Y467 HydrophobicContact CD2-CG 4.45Å; F366-Y467 AromaticContact CE1-CD1 3.62Å; F366-Y467 HydrophobicContact CE1-CD1 3.62Å; F366-Y467 HydrophobicContact CE1-CE1 4.14Å; F366-Y467 HydrophobicContact CE2-CD1 4.23Å; F366-Y467 AromaticContact CG-CD1 3.89Å; F366-Y467 HydrophobicContact CG-CD1 3.89Å; F366-Y467 HydrophobicContact CG-CG 4.16Å; F366-Y467 AromaticContact CZ-CD1 3.97Å; F366-Y467 HydrophobicContact CZ-CD1 3.97Å; F366-K505 HydrophobicContact CB-CB 3.98Å; F366-K505 PolarHBondContact N-O 3.11Å
367	D	87.5	Confident	79.7	Confident	111 Å²	111	60.2 Å²	60.2	59%	0.594	27%	0.271	S	S	*	.	H	α-helix	trans	-62.1	-31.1	178.2	-64.9	-24.1	0	0	0	112.7	P365 V369 Y371	P365-D367 VanDerWaalsContact C-N 3.26Å; P365-D367 PolarHBondContact O-N 2.99Å; D367-V369 VanDerWaalsContact C-N 3.34Å; D367-Y371 WeakPolarHBondContact O-CB 3.42Å; D367-Y371 PolarHBondContact O-N 3.45Å
368	N	84.4	Confident	77	Confident	39 Å²	39	63.7 Å²	63.7	21%	0.209	29%	0.291	C	S	.	.	H	α-helix	trans	-68	-37.4	176.5	-69.8	-10.9	0	0	0	111.2	L364 P365 F366 Q372 K432	L364-N368 HydrophobicContact CD1-CB 4.43Å; P365-N368 HydrophobicContact CB-CB 4.45Å; P365-N368 WeakPolarHBondContact O-CB 3.31Å; P365-N368 PolarHBondContact O-N 3.46Å; P365-N368 VanDerWaalsContact O-N 3.1Å; F366-N368 PolarHBondContact O-N 3Å; N368-Q372 WeakPolarHBondContact O-CG 3.39Å; N368-Q372 PolarHBondContact O-N 3.18Å; N368-K432 WeakPolarHBondContact ND2-CB 3.25Å; N368-K432 PolarHBondContact ND2-O 3.29Å
369	V	77.7	Confident	74.5	Confident	30 Å²	30	61.8 Å²	61.8	18%	0.182	29%	0.289	C	S	.	.	H	α-helix	trans	-71	-43	177	-178.4	0	0	0	0	111	L364 F366 D367 Y371 Q372 K373 F418	L364-V369 HydrophobicContact CD1-CG2 4.12Å; L364-V369 HydrophobicContact CD2-CG2 3.76Å; L364-V369 HydrophobicContact CG-CG2 3.85Å; F366-V369 PolarHBondContact O-N 2.92Å; F366-V369 VanDerWaalsContact O-N 3.09Å; D367-V369 VanDerWaalsContact C-N 3.34Å; V369-Y371 VanDerWaalsContact C-N 3.33Å; V369-Y371 PolarHBondContact O-N 2.85Å; V369-Q372 PolarHBondContact O-N 2.84Å; V369-K373 PolarHBondContact O-N 3.09Å; V369-F418 HydrophobicContact CG1-CE1 4.29Å; V369-F418 HydrophobicContact CG2-CE1 4.47Å
370	L	74	Confident	71.9	Confident	72 Å²	72	67.1 Å²	67.1	38%	0.377	31%	0.314	S	S	.	.	H	α-helix	trans	-58.4	-44.4	174.7	-75.6	-178.6	0	0	0	112.2	F366 Q372 K373 N374	F366-L370 HydrophobicContact CD1-CD1 3.8Å; F366-L370 HydrophobicContact CD1-CG 4.1Å; F366-L370 HydrophobicContact CE1-CD1 3.38Å; F366-L370 HydrophobicContact CE1-CD2 4.06Å; F366-L370 HydrophobicContact CE1-CG 3.69Å; F366-L370 HydrophobicContact CE2-CD2 4.42Å; F366-L370 HydrophobicContact CE2-CG 4.38Å; F366-L370 HydrophobicContact CZ-CD1 4Å; F366-L370 HydrophobicContact CZ-CD2 3.77Å; F366-L370 HydrophobicContact CZ-CG 3.83Å; F366-L370 PolarHBondContact O-N 2.84Å; L370-Q372 VanDerWaalsContact C-N 3.34Å; L370-Q372 PolarHBondContact O-N 2.82Å; L370-K373 PolarHBondContact O-N 2.98Å; L370-N374 PolarHBondContact O-N 3.26Å
371	Y	63	Low	69.3	Low	149 Å²	149	70.5 Å²	70.5	58%	0.584	33%	0.333	S	S	*	.	H	α-helix	trans	-59.8	-43.7	178.1	-179.9	-93.2	0	0	0	111.9	D367 V369 N374 K375	D367-Y371 WeakPolarHBondContact O-CB 3.42Å; D367-Y371 PolarHBondContact O-N 3.45Å; V369-Y371 VanDerWaalsContact C-N 3.33Å; V369-Y371 PolarHBondContact O-N 2.85Å; Y371-N374 PolarHBondContact O-N 3.4Å; Y371-K375 WeakPolarHBondContact O-CB 3.46Å; Y371-K375 PolarHBondContact O-N 2.86Å
372	Q	58.8	Low	66.5	Low	50 Å²	50	75.1 Å²	75.1	23%	0.234	36%	0.361	C	S	.	.	H	α-helix	trans	-62.8	-45.5	176.2	-72.7	178	-6.6	0	0	112	N368 V369 L370 N374 K375 Y376 Q430 D431	N368-Q372 WeakPolarHBondContact O-CG 3.39Å; N368-Q372 PolarHBondContact O-N 3.18Å; V369-Q372 PolarHBondContact O-N 2.84Å; L370-Q372 VanDerWaalsContact C-N 3.34Å; L370-Q372 PolarHBondContact O-N 2.82Å; Q372-N374 VanDerWaalsContact C-N 3.3Å; Q372-N374 PolarHBondContact O-N 2.92Å; Q372-K375 WeakPolarHBondContact O-CB 3.41Å; Q372-K375 PolarHBondContact O-N 3.47Å; Q372-K375 VanDerWaalsContact O-N 3.11Å; Q372-Y376 VanDerWaalsContact O-CD2 3.23Å; Q372-Y376 WeakPolarHBondContact O-CD2 3.12Å; Q372-Y376 PolarHBondContact O-N 3.37Å; Q372-Q430 PolarHBondContact NE2-O 2.85Å; Q372-D431 PolarHBondContact NE2-OD1 3.15Å
373	K	60	Low	63.5	Low	107 Å²	107	81.9 Å²	81.9	47%	0.465	39%	0.393	S	S	.	.	H	α-helix	trans	-59.5	-41.6	179	-171.3	173.2	-176.1	172.3	0	112	V369 L370 K377	V369-K373 PolarHBondContact O-N 3.09Å; L370-K373 PolarHBondContact O-N 2.98Å; K373-K377 WeakPolarHBondContact O-CB 3.47Å; K373-K377 WeakPolarHBondContact O-CG 3.19Å; K373-K377 PolarHBondContact O-N 3.48Å
374	N	63.1	Low	60.6	Low	91 Å²	91	88.2 Å²	88.2	49%	0.487	42%	0.421	S	S	.	.	H	α-helix	trans	-69.9	-36.1	176.1	-71.2	-17.9	0	0	0	112.1	L370 Y371 Q372 N378	L370-N374 PolarHBondContact O-N 3.26Å; Y371-N374 PolarHBondContact O-N 3.4Å; Q372-N374 VanDerWaalsContact C-N 3.3Å; Q372-N374 PolarHBondContact O-N 2.92Å; N374-N378 WeakPolarHBondContact O-CB 3.49Å; N374-N378 PolarHBondContact O-N 3.06Å; N374-N378 PolarHBondContact O-ND2 2.91Å
375	K	50.4	Low	57.7	Low	112 Å²	112	92.1 Å²	92.1	49%	0.487	45%	0.448	S	S	.	.	H	α-helix	trans	-62.7	-50	174.8	-172.4	-177	174.8	-173.5	0	111.7	Y371 Q372 K377 N378 D379	Y371-K375 WeakPolarHBondContact O-CB 3.46Å; Y371-K375 PolarHBondContact O-N 2.86Å; Q372-K375 WeakPolarHBondContact O-CB 3.41Å; Q372-K375 PolarHBondContact O-N 3.47Å; Q372-K375 VanDerWaalsContact O-N 3.11Å; K375-K377 PolarHBondContact O-N 2.87Å; K375-N378 PolarHBondContact O-N 2.91Å; K375-D379 WeakPolarHBondContact O-CB 3.49Å; K375-D379 PolarHBondContact O-N 3.01Å
376	Y	51.8	Low	54.8	Low	160 Å²	160	96.1 Å²	96.1	63%	0.627	48%	0.477	S	S	*	.	H	α-helix	trans	-64	-39.7	177.6	-77.2	-73.4	0	0	0	112.6	Q372 N378 D379 E380	Q372-Y376 VanDerWaalsContact O-CD2 3.23Å; Q372-Y376 WeakPolarHBondContact O-CD2 3.12Å; Q372-Y376 PolarHBondContact O-N 3.37Å; Y376-N378 VanDerWaalsContact C-N 3.33Å; Y376-N378 PolarHBondContact O-N 3.39Å; Y376-D379 PolarHBondContact O-N 3.17Å; Y376-E380 WeakPolarHBondContact O-CB 3.17Å; Y376-E380 PolarHBondContact O-N 2.87Å
377	K	52.2	Low	51.9	Low	107 Å²	107	100.1 Å²	100.1	47%	0.465	50%	0.503	S	S	.	.	H	α-helix	trans	-61.1	-41.7	172.8	-79.4	-173.6	174.2	-167.4	0	112.1	K373 K375 L381	K373-K377 WeakPolarHBondContact O-CB 3.47Å; K373-K377 WeakPolarHBondContact O-CG 3.19Å; K373-K377 PolarHBondContact O-N 3.48Å; K375-K377 PolarHBondContact O-N 2.87Å; K377-L381 WeakPolarHBondContact O-CB 3.32Å; K377-L381 VanDerWaalsContact O-CG 3.23Å; K377-L381 WeakPolarHBondContact O-CG 3.49Å; K377-L381 PolarHBondContact O-N 2.88Å
378	N	38.1	Very low	49	Very low	95 Å²	95	100 Å²	100	51%	0.508	51%	0.511	S	S	.	.	H	α-helix	trans	-69.7	-39.8	176.5	-72.1	-18.5	0	0	0	111.8	N374 K375 Y376 L381 V382	N374-N378 WeakPolarHBondContact O-CB 3.49Å; N374-N378 PolarHBondContact O-N 3.06Å; N374-N378 PolarHBondContact O-ND2 2.91Å; K375-N378 PolarHBondContact O-N 2.91Å; Y376-N378 VanDerWaalsContact C-N 3.33Å; Y376-N378 PolarHBondContact O-N 3.39Å; N378-L381 PolarHBondContact O-N 3.42Å; N378-V382 WeakPolarHBondContact O-CB 3.34Å; N378-V382 WeakPolarHBondContact O-CG2 3.47Å; N378-V382 PolarHBondContact O-N 2.92Å
379	D	43	Very low	46.3	Very low	71 Å²	71	103.7 Å²	103.7	38%	0.38	54%	0.54	S	S	.	.	H	α-helix	trans	-65.8	-38.3	176.4	-72.7	-22.1	0	0	0	111.3	K375 Y376 V382 Q383	K375-D379 WeakPolarHBondContact O-CB 3.49Å; K375-D379 PolarHBondContact O-N 3.01Å; Y376-D379 PolarHBondContact O-N 3.17Å; D379-V382 PolarHBondContact O-N 3.14Å; D379-Q383 WeakPolarHBondContact O-CB 3.21Å; D379-Q383 WeakPolarHBondContact O-CG 3.45Å; D379-Q383 PolarHBondContact O-N 3.15Å
380	E	42.6	Very low	43.8	Very low	111 Å²	111	108.2 Å²	108.2	52%	0.519	57%	0.568	S	S	.	*	H	α-helix	trans	-66.6	-40.5	171.5	-81.1	-168.5	-174.8	0	0	112.8	Y376 V382 Q383 K384	Y376-E380 WeakPolarHBondContact O-CB 3.17Å; Y376-E380 PolarHBondContact O-N 2.87Å; E380-V382 VanDerWaalsContact C-N 3.35Å; E380-Q383 PolarHBondContact O-N 3.23Å; E380-K384 WeakPolarHBondContact O-CB 3.28Å; E380-K384 WeakPolarHBondContact O-CG 3.25Å; E380-K384 PolarHBondContact O-N 3.38Å; E380-K384 IonicContact OE2-NZ 3.97Å
381	L	40.7	Very low	41.6	Very low	108 Å²	108	113.4 Å²	113.4	57%	0.565	59%	0.59	S	S	*	*	H	α-helix	trans	-65.6	-38.5	174.4	-75.9	166.9	0	0	0	111.1	K377 N378 K384 S385	K377-L381 WeakPolarHBondContact O-CB 3.32Å; K377-L381 VanDerWaalsContact O-CG 3.23Å; K377-L381 WeakPolarHBondContact O-CG 3.49Å; K377-L381 PolarHBondContact O-N 2.88Å; N378-L381 PolarHBondContact O-N 3.42Å; L381-K384 PolarHBondContact O-N 3.33Å; L381-S385 WeakPolarHBondContact O-CB 3.45Å; L381-S385 PolarHBondContact O-N 3.49Å; L381-S385 PolarHBondContact O-OG 2.78Å
382	V	38.6	Very low	39.7	Very low	97 Å²	97	112.7 Å²	112.7	59%	0.588	61%	0.605	S	S	*	*	H	α-helix	trans	-67	-37.6	174.5	170.5	0	0	0	0	111.1	N378 D379 E380 S385	N378-V382 WeakPolarHBondContact O-CB 3.34Å; N378-V382 WeakPolarHBondContact O-CG2 3.47Å; N378-V382 PolarHBondContact O-N 2.92Å; D379-V382 PolarHBondContact O-N 3.14Å; E380-V382 VanDerWaalsContact C-N 3.35Å; V382-S385 WeakPolarHBondContact CA-OG 3.2Å; V382-S385 PolarHBondContact O-OG 3.11Å
383	Q	32.4	Very low	38.3	Very low	143 Å²	143	119.6 Å²	119.6	67%	0.668	64%	0.638	S	S	*	*	H	α-helix	trans	-69.3	-39.6	173.9	-76	-179.1	4.5	0	0	112.3	D379 E380 S386	D379-Q383 WeakPolarHBondContact O-CB 3.21Å; D379-Q383 WeakPolarHBondContact O-CG 3.45Å; D379-Q383 PolarHBondContact O-N 3.15Å; E380-Q383 PolarHBondContact O-N 3.23Å; Q383-S386 PolarHBondContact O-OG 3.27Å
384	K	34.5	Very low	36.8	Very low	154 Å²	154	121.3 Å²	121.3	67%	0.67	65%	0.652	S	S	*	*	H	α-helix	trans	-74.7	-28	177.6	-74.9	173.3	-179.2	163.7	0	113.9	E380 L381 S386	E380-K384 WeakPolarHBondContact O-CB 3.28Å; E380-K384 WeakPolarHBondContact O-CG 3.25Å; E380-K384 PolarHBondContact O-N 3.38Å; E380-K384 IonicContact OE2-NZ 3.97Å; L381-K384 PolarHBondContact O-N 3.33Å; K384-S386 VanDerWaalsContact C-N 3.26Å; K384-S386 PolarHBondContact O-N 2.93Å
385	S	32.5	Very low	35.2	Very low	82 Å²	82	122.9 Å²	122.9	57%	0.573	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	5	177.9	53.3	0	0	0	0	114.2	L381 V382 V387	L381-S385 WeakPolarHBondContact O-CB 3.45Å; L381-S385 PolarHBondContact O-N 3.49Å; L381-S385 PolarHBondContact O-OG 2.78Å; V382-S385 WeakPolarHBondContact CA-OG 3.2Å; V382-S385 PolarHBondContact O-OG 3.11Å; S385-V387 PolarHBondContact O-N 2.9Å
386	S	33.3	Very low	34.3	Very low	100 Å²	100	121.9 Å²	121.9	70%	0.699	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	1	166.6	65	0	0	0	0	113.9	Q383 K384	Q383-S386 PolarHBondContact O-OG 3.27Å; K384-S386 VanDerWaalsContact C-N 3.26Å; K384-S386 PolarHBondContact O-N 2.93Å
387	V	32	Very low	33.2	Very low	114 Å²	114	118.2 Å²	118.2	69%	0.691	67%	0.668	S	S	*	*	S	Bend	trans	-106.7	120.9	164.9	-176.9	0	0	0	0	108.9	S385 S389	S385-V387 PolarHBondContact O-N 2.9Å; V387-S389 PolarHBondContact O-N 3.01Å
388	S	25.9	Very low	32.1	Very low	107 Å²	107	120.6 Å²	120.6	75%	0.748	69%	0.685	S	S	*	*			trans	-50.8	125.3	-173.8	58.5	0	0	0	0	114.3
389	S	27.1	Very low	31.8	Very low	117 Å²	117	121.3 Å²	121.3	82%	0.818	69%	0.693	S	S	*	*				-178.5	153.2	128.2	32.3	0	0	0	0	112.1	V387	V387-S389 PolarHBondContact O-N 3.01Å
390	T	25.4	Very low	31.1	Very low	125 Å²	125	123 Å²	123	77%	0.767	70%	0.702	S	S	*	*			trans	-55.3	163	-179.4	5.8	0	0	0	0	115.9
391	E	27.7	Very low	30.4	Very low	182 Å²	182	124.4 Å²	124.4	85%	0.85	71%	0.707	S	S	*	*			trans	99.8	120.1	158.8	-71.2	166	-158.1	0	0	118.2
392	C	24.1	Very low	30	Very low	134 Å²	134	125.7 Å²	125.7	91%	0.905	71%	0.714	S	S	*	*			trans	-71.8	121.4	176.1	-55.9	0	0	0	0	109.8
393	E	28.7	Very low	29.5	Very low	194 Å²	194	127.2 Å²	127.2	91%	0.907	72%	0.718	S	S	*	*			trans	-112.2	135.8	166.9	-75.9	-169.6	155	0	0	111.7
394	N	27.8	Very low	29.3	Very low	144 Å²	144	126 Å²	126	77%	0.77	71%	0.713	S	S	*	*			trans	-63.4	148.2	-169.9	-75.7	-47.4	0	0	0	113.9	S396	N394-S396 PolarHBondContact O-N 3.35Å
395	S	31.4	Very low	29	Very low	123 Å²	123	121.7 Å²	121.7	86%	0.86	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	33.5	-174.8	61.2	0	0	0	0	116.1
396	S	30.8	Very low	29.1	Very low	91 Å²	91	122.5 Å²	122.5	64%	0.636	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-2.2	175	52.5	0	0	0	0	114.1	N394 L398	N394-S396 PolarHBondContact O-N 3.35Å; S396-L398 PolarHBondContact O-N 2.88Å
397	D	28.7	Very low	29	Very low	84 Å²	84	124.8 Å²	124.8	45%	0.449	71%	0.705	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.1	1.3	-171.2	-139.6	29.9	0	0	0	114.5	K401	D397-K401 WeakPolarHBondContact OD2-CE 3.48Å; D397-K401 IonicContact OD2-NZ 3.76Å; D397-K401 PolarHBondContact OD2-NZ 3.48Å
398	L	28.1	Very low	28.9	Very low	156 Å²	156	125.6 Å²	125.6	82%	0.817	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-22.2	-174.4	-133.2	91.9	0	0	0	113.9	S396	S396-L398 PolarHBondContact O-N 2.88Å
399	T	31.6	Very low	29.3	Very low	110 Å²	110	123.7 Å²	123.7	68%	0.675	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-25.4	-178.9	38.7	0	0	0	0	113.8
400	D	30.1	Very low	29.6	Very low	107 Å²	107	120.9 Å²	120.9	57%	0.572	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-87	-21.7	-175.4	-73.8	-22.4	0	0	0	113.6	N403	D400-N403 PolarHBondContact O-N 2.95Å
401	K	27.7	Very low	29.9	Very low	140 Å²	140	123.8 Å²	123.8	61%	0.609	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-89.1	4.5	-179.9	-75.4	174.8	175.7	154.2	0	115.5	D397	D397-K401 WeakPolarHBondContact OD2-CE 3.48Å; D397-K401 IonicContact OD2-NZ 3.76Å; D397-K401 PolarHBondContact OD2-NZ 3.48Å
402	L	31.5	Very low	30.1	Very low	136 Å²	136	116.9 Å²	116.9	71%	0.712	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-83.9	-0.4	163.8	-75.6	171.7	0	0	0	112.7	E404	L402-E404 PolarHBondContact O-N 3.22Å
403	N	28.1	Very low	30.6	Very low	128 Å²	128	113 Å²	113	68%	0.684	60%	0.597	S	S	*	*			trans	-88.9	45.6	169.8	-68.9	-36.8	0	0	0	112	D400	D400-N403 PolarHBondContact O-N 2.95Å
404	E	28	Very low	30.9	Very low	119 Å²	119	111.4 Å²	111.4	56%	0.556	59%	0.589	S	S	*	*			trans	-66.6	138.7	163.6	-78.6	-179.5	-176.9	0	0	109.2	L402	L402-E404 PolarHBondContact O-N 3.22Å
405	S	28.2	Very low	31.4	Very low	62 Å²	62	109.1 Å²	109.1	43%	0.434	59%	0.585	S	S	.	*			trans	-62.2	145.8	-175.2	55.7	0	0	0	0	111.4	Q407 Q408	S405-Q407 PolarHBondContact O-N 3.03Å; S405-Q408 PolarHBondContact O-N 2.68Å; S405-Q408 VanDerWaalsContact O-N 3.12Å
406	P	35.2	Very low	31.9	Very low	99 Å²	99	110.1 Å²	110.1	64%	0.643	57%	0.57	S	S	*	*	H	α-helix	trans	-53.6	-25.3	-175.2	-26.8	33.3	0	0	0	115.1	I409 K410	P406-I409 PolarHBondContact O-N 3.03Å; P406-K410 PolarHBondContact O-N 3.37Å
407	Q	31.1	Very low	33.4	Very low	149 Å²	149	109.2 Å²	109.2	70%	0.696	56%	0.564	S	S	*	*	H	α-helix	trans	-71.5	-32.2	-178	-71.4	-178.1	-17.7	0	0	113.9	S405	S405-Q407 PolarHBondContact O-N 3.03Å
408	Q	28.6	Very low	34.9	Very low	131 Å²	131	107.6 Å²	107.6	61%	0.612	55%	0.553	S	S	*	*	H	α-helix	trans	-79.2	-29.7	174.7	-82.7	-175.1	-15.8	0	0	112	S405	S405-Q408 PolarHBondContact O-N 2.68Å; S405-Q408 VanDerWaalsContact O-N 3.12Å
409	I	34.3	Very low	36.8	Very low	66 Å²	66	100.8 Å²	100.8	34%	0.338	52%	0.517	S	S	.	.	H	α-helix	trans	-67.2	-41.8	179.8	-61.1	175.5	0	0	0	111	P406 S412 H413	P406-I409 PolarHBondContact O-N 3.03Å; I409-S412 PolarHBondContact O-N 2.87Å; I409-S412 PolarHBondContact O-OG 2.81Å; I409-H413 VanDerWaalsContact CG2-CE1 3.45Å; I409-H413 WeakPolarHBondContact CG2-CE1 3.43Å; I409-H413 PolarHBondContact O-ND1 3.14Å
410	K	33.6	Very low	38.4	Very low	59 Å²	59	97.2 Å²	97.2	26%	0.257	50%	0.496	S	S	.	.	H	α-helix	trans	-70.7	-40.5	-175.4	-75.6	-173.8	179.5	180	0	115.3	I223 E224 P406 S412 H413	I223-K410 VanDerWaalsContact CB-NZ 3.27Å; E224-K410 HydrophobicContact CG-CD 4.26Å; E224-K410 VanDerWaalsContact CG-NZ 3.28Å; P406-K410 PolarHBondContact O-N 3.37Å; K410-S412 PolarHBondContact O-N 2.79Å; K410-S412 VanDerWaalsContact O-N 3.15Å; K410-H413 PolarHBondContact O-N 3.04Å; K410-H413 VanDerWaalsContact O-N 3.08Å
411	K	32	Very low	39.8	Very low	185 Å²	185	97.7 Å²	97.7	80%	0.804	50%	0.495	S	S	*	.	H	α-helix	trans	-62.3	-22.1	176	-75.6	-174.1	178.7	179.5	0	112.9
412	S	31.8	Very low	41.2	Very low	37 Å²	37	91.8 Å²	91.8	26%	0.259	47%	0.47	S	S	.	.	H	α-helix	trans	-80.1	-27.6	174.7	73.5	0	0	0	0	114	I409 K410 S415	I409-S412 PolarHBondContact O-N 2.87Å; I409-S412 PolarHBondContact O-OG 2.81Å; K410-S412 PolarHBondContact O-N 2.79Å; K410-S412 VanDerWaalsContact O-N 3.15Å; S412-S415 PolarHBondContact O-N 2.89Å
413	H	35.5	Very low	42.6	Very low	52 Å²	52	91 Å²	91	24%	0.241	47%	0.467	C	S	.	.	H	α-helix	trans	-75.6	-32.5	-175.3	-78.7	73.6	0	0	0	113.5	I409 K410 S415 W416	I409-H413 VanDerWaalsContact CG2-CE1 3.45Å; I409-H413 WeakPolarHBondContact CG2-CE1 3.43Å; I409-H413 PolarHBondContact O-ND1 3.14Å; K410-H413 PolarHBondContact O-N 3.04Å; K410-H413 VanDerWaalsContact O-N 3.08Å; H413-S415 PolarHBondContact O-N 2.61Å; H413-W416 PolarHBondContact O-N 2.97Å
414	Q	34.3	Very low	44.4	Very low	161 Å²	161	89.4 Å²	89.4	75%	0.752	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-11.3	174.9	-76.6	-176.9	-6.9	0	0	113.2	D220	D220-Q414 PolarHBondContact OD2-NE2 3.5Å
415	S	38.1	Very low	46.1	Very low	97 Å²	97	90.4 Å²	90.4	68%	0.678	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	-4.4	-179.2	-176.1	0	0	0	0	114.6	S412 H413	S412-S415 PolarHBondContact O-N 2.89Å; H413-S415 PolarHBondContact O-N 2.61Å
416	W	42.6	Very low	47.9	Very low	143 Å²	143	87.6 Å²	87.6	54%	0.542	44%	0.44	S	S	.	.			trans	-103.8	78.2	177.9	-71.7	-16.4	0	0	0	110.6	H413	H413-W416 PolarHBondContact O-N 2.97Å
417	S	61.4	Low	49	Very low	73 Å²	73	86.5 Å²	86.5	51%	0.51	44%	0.435	S	S	.	.			trans	-83.2	116.7	147.8	178.8	0	0	0	0	106.4	L419 E536	S417-L419 PolarHBondContact O-N 2.92Å; S417-L419 PolarHBondContact OG-N 2.84Å; S417-L419 PolarHBondContact OG-O 3.19Å; S417-E536 WeakPolarHBondContact CA-OE2 3.5Å
418	F	61.9	Low	50.3	Low	49 Å²	49	83.6 Å²	83.6	22%	0.215	42%	0.424	C	S	.	.			trans	-70.7	-16.7	168	-64.9	-76.3	0	0	0	110.8	L364 V369 W433 C507 A508 E536	L364-F418 HydrophobicContact CD2-CB 4.16Å; L364-F418 HydrophobicContact CD2-CD1 3.78Å; L364-F418 HydrophobicContact CD2-CG 4.22Å; V369-F418 HydrophobicContact CG1-CE1 4.29Å; V369-F418 HydrophobicContact CG2-CE1 4.47Å; F418-W433 WeakPolarHBondContact O-CZ2 3.47Å; F418-C507 HydrophobicContact CD1-CB 4.48Å; F418-C507 HydrophobicContact CD2-CB 4.15Å; F418-C507 HydrophobicContact CE1-CB 4.47Å; F418-C507 HydrophobicContact CE2-CB 4.13Å; F418-C507 HydrophobicContact CG-CB 4.33Å; F418-C507 HydrophobicContact CZ-CB 4.3Å; F418-A508 HydrophobicContact CB-CB 3.66Å; F418-A508 HydrophobicContact CG-CB 4.43Å; F418-E536 HydrophobicContact CD2-CB 4.49Å; F418-E536 PolarHBondContact N-OE2 2.75Å
419	L	67.9	Low	51.4	Low	13 Å²	13	86 Å²	86	7%	0.068	44%	0.435	C	S	.	.	S	Bend	trans	-91.1	127.3	-174.7	-66.8	165.3	0	0	0	110.4	S417 W433 A508 Q534 E536	S417-L419 PolarHBondContact O-N 2.92Å; S417-L419 PolarHBondContact OG-N 2.84Å; S417-L419 PolarHBondContact OG-O 3.19Å; L419-W433 HydrophobicContact CD2-CH2 3.8Å; L419-W433 HydrophobicContact CD2-CZ2 4.49Å; L419-A508 HydrophobicContact CD2-CB 4.03Å; L419-A508 HydrophobicContact CG-CB 4.15Å; L419-Q534 HydrophobicContact CD1-CB 3.78Å; L419-Q534 HydrophobicContact CD1-CG 3.76Å; L419-Q534 HydrophobicContact CD2-CB 3.88Å; L419-Q534 HydrophobicContact CD2-CG 4.47Å; L419-Q534 HydrophobicContact CG-CB 4.41Å; L419-E536 HydrophobicContact CD1-CB 3.94Å; L419-E536 HydrophobicContact CD1-CG 4.14Å; L419-E536 HydrophobicContact CG-CB 4.38Å
420	P	63.7	Low	52.5	Low	36 Å²	36	90.4 Å²	90.4	23%	0.234	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-62.8	162.9	158.7	26	-28.8	0	0	0	109.5	Q424 I426 R510 Q534	P420-Q424 HydrophobicContact CB-CB 4.23Å; P420-I426 HydrophobicContact CG-CG1 3.94Å; P420-R510 PolarHBondContact O-NH2 3.3Å; P420-Q534 PolarHBondContact O-OE1 3.12Å
421	E	59.6	Low	54.1	Low	117 Å²	117	89.7 Å²	89.7	55%	0.547	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-51.6	146.1	175.7	-60.3	179.4	159.7	0	0	110.6	N423 Q424 R510	E421-N423 WeakPolarHBondContact CB-OD1 3.47Å; E421-N423 PolarHBondContact O-N 2.82Å; E421-N423 VanDerWaalsContact O-N 3.08Å; E421-Q424 HydrophobicContact CB-CG 4.06Å; E421-Q424 WeakPolarHBondContact O-CB 3.4Å; E421-Q424 PolarHBondContact O-N 3.45Å; E421-Q424 PolarHBondContact OE2-NE2 2.78Å; E421-R510 PolarHBondContact O-NH2 2.87Å
422	T	58.1	Low	56.5	Low	15 Å²	15	86.8 Å²	86.8	9%	0.092	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.8	-169.4	-40.8	0	0	0	0	112.6	T307 Y308 R510 T532 Q534	T307-T422 PolarHBondContact O-OG1 3.43Å; T307-T422 VanDerWaalsContact O-OG1 3.11Å; Y308-T422 HydrophobicContact CD1-CG2 3.43Å; Y308-T422 VanDerWaalsContact CD1-CG2 3.43Å; Y308-T422 VanDerWaalsContact CE1-C 3.42Å; Y308-T422 HydrophobicContact CE1-CG2 3.58Å; Y308-T422 WeakPolarHBondContact CE1-O 3.29Å; Y308-T422 HydrophobicContact CG-CG2 3.92Å; T422-R510 PolarHBondContact O-NH1 3.06Å; T422-T532 HydrophobicContact CG2-CG2 4.46Å; T422-Q534 PolarHBondContact OG1-NE2 2.88Å
423	N	60.3	Low	59.3	Low	120 Å²	120	85.7 Å²	85.7	64%	0.642	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-17.4	176.3	54.5	-15.7	0	0	0	114.8	E421	E421-N423 WeakPolarHBondContact CB-OD1 3.47Å; E421-N423 PolarHBondContact O-N 2.82Å; E421-N423 VanDerWaalsContact O-N 3.08Å
424	Q	67.3	Low	62	Low	94 Å²	94	85.4 Å²	85.4	44%	0.439	43%	0.432	S	S	.	.	S	Bend	trans	-88.5	144.6	-179.9	-65.1	179.8	13.5	0	0	111.5	P420 E421 R510	P420-Q424 HydrophobicContact CB-CB 4.23Å; E421-Q424 HydrophobicContact CB-CG 4.06Å; E421-Q424 WeakPolarHBondContact O-CB 3.4Å; E421-Q424 PolarHBondContact O-N 3.45Å; E421-Q424 PolarHBondContact OE2-NE2 2.78Å; Q424-R510 PolarHBondContact O-NH1 3.49Å
425	H	62.8	Low	64.9	Low	140 Å²	140	80.3 Å²	80.3	65%	0.648	41%	0.412	S	S	*	.			trans	-70.2	139	175.4	-173	-84.8	0	0	0	110.6	S427	H425-S427 PolarHBondContact O-N 2.85Å
426	I	66.5	Low	67.7	Low	4 Å²	4	77 Å²	77	2%	0.021	39%	0.387	C	S	.	.			trans	-70.9	100.4	173.1	-65.2	169.6	0	0	0	108.1	P420 W433 R510	P420-I426 HydrophobicContact CG-CG1 3.94Å; I426-W433 HydrophobicContact CD1-CE3 4.01Å; I426-W433 HydrophobicContact CD1-CH2 4.42Å; I426-W433 HydrophobicContact CD1-CZ3 3.94Å; I426-W433 HydrophobicContact CG2-CB 3.7Å; I426-W433 HydrophobicContact CG2-CD2 3.37Å; I426-W433 HydrophobicContact CG2-CE3 3.83Å; I426-W433 HydrophobicContact CG2-CG 3.29Å; I426-R510 HydrophobicContact CD1-CB 3.75Å; I426-R510 HydrophobicContact CD1-CG 4.46Å
427	S	58.5	Low	70.2	Confident	76 Å²	76	73.5 Å²	73.5	53%	0.531	38%	0.379	S	S	.	.			trans	-76.4	125.4	176.4	74.8	0	0	0	0	110.6	H425 H429	H425-S427 PolarHBondContact O-N 2.85Å; S427-H429 PolarHBondContact O-N 2.93Å; S427-H429 VanDerWaalsContact O-N 3.14Å
428	N	57.6	Low	71.9	Confident	87 Å²	87	75.1 Å²	75.1	47%	0.465	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-0.3	-177.3	-82.3	-3.1	0	0	0	114.5	W433	N428-W433 WeakPolarHBondContact OD1-CB 3.5Å; N428-W433 PolarHBondContact OD1-O 2.87Å
429	H	51.4	Low	73.5	Confident	183 Å²	183	76.8 Å²	76.8	85%	0.847	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-30.2	-163.6	-79.1	-69	0	0	0	115.2	S427	S427-H429 PolarHBondContact O-N 2.93Å; S427-H429 VanDerWaalsContact O-N 3.14Å
430	Q	58.2	Low	74.8	Confident	158 Å²	158	76.1 Å²	76.1	74%	0.738	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-51.2	-178.4	-76.6	176.7	-16.1	0	0	112.9	Q372	Q372-Q430 PolarHBondContact NE2-O 2.85Å
431	D	67.1	Low	76.3	Confident	43 Å²	43	74.4 Å²	74.4	23%	0.23	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	4	-165.3	-54.2	-42.7	0	0	0	116.2	L364 Q372 W433	L364-D431 HydrophobicContact CD1-CB 3.67Å; L364-D431 WeakPolarHBondContact CD1-O 3.01Å; L364-D431 HydrophobicContact CD2-CB 4.3Å; Q372-D431 PolarHBondContact NE2-OD1 3.15Å; D431-W433 VanDerWaalsContact C-N 3.34Å; D431-W433 PolarHBondContact O-N 3.03Å
432	K	82.4	Confident	78	Confident	125 Å²	125	68.9 Å²	68.9	54%	0.543	34%	0.343	S	S	.	.			trans	51.8	51.3	-177.6	-59.9	179.8	178.9	179.1	0	112.2	N368	N368-K432 WeakPolarHBondContact ND2-CB 3.25Å; N368-K432 PolarHBondContact ND2-O 3.29Å
433	W	89.4	Confident	79.8	Confident	13 Å²	13	68.2 Å²	68.2	5%	0.049	34%	0.339	C	S	.	.			trans	-56.7	140.3	171.2	-76.6	82	0	0	0	111	L364 F418 L419 I426 N428 D431 A508	L364-W433 HydrophobicContact CB-CD2 4.04Å; L364-W433 HydrophobicContact CB-CE3 4.19Å; L364-W433 HydrophobicContact CB-CH2 4Å; L364-W433 HydrophobicContact CB-CZ2 3.86Å; L364-W433 HydrophobicContact CB-CZ3 4.18Å; L364-W433 HydrophobicContact CD2-CZ2 4.29Å; F418-W433 WeakPolarHBondContact O-CZ2 3.47Å; L419-W433 HydrophobicContact CD2-CH2 3.8Å; L419-W433 HydrophobicContact CD2-CZ2 4.49Å; I426-W433 HydrophobicContact CD1-CE3 4.01Å; I426-W433 HydrophobicContact CD1-CH2 4.42Å; I426-W433 HydrophobicContact CD1-CZ3 3.94Å; I426-W433 HydrophobicContact CG2-CB 3.7Å; I426-W433 HydrophobicContact CG2-CD2 3.37Å; I426-W433 HydrophobicContact CG2-CE3 3.83Å; I426-W433 HydrophobicContact CG2-CG 3.29Å; N428-W433 WeakPolarHBondContact OD1-CB 3.5Å; N428-W433 PolarHBondContact OD1-O 2.87Å; D431-W433 VanDerWaalsContact C-N 3.34Å; D431-W433 PolarHBondContact O-N 3.03Å; W433-A508 HydrophobicContact CH2-CB 3.67Å; W433-A508 HydrophobicContact CZ2-CB 4.24Å
434	V	93.5	Very high	81.6	Confident	47 Å²	47	62.5 Å²	62.5	29%	0.285	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.6	172.8	-178.7	0	0	0	0	108.1	S362 Y363 P365	S362-V434 CarbonylContact C-O 3.58Å; S362-V434 VanDerWaalsContact CA-O 3.27Å; S362-V434 WeakPolarHBondContact CA-O 3.46Å; Y363-V434 HydrophobicContact CD1-CB 4.36Å; Y363-V434 HydrophobicContact CD2-CB 4.28Å; Y363-V434 HydrophobicContact CE1-CB 3.88Å; Y363-V434 HydrophobicContact CE1-CG1 3.79Å; Y363-V434 HydrophobicContact CE2-CB 3.78Å; Y363-V434 HydrophobicContact CE2-CG1 4.28Å; Y363-V434 HydrophobicContact CE2-CG2 4.06Å; Y363-V434 PolarHBondContact N-O 2.71Å; Y363-V434 PolarHBondContact O-N 2.73Å; Y363-V434 WeakPolarHBondContact OH-CG1 3.1Å; P365-V434 HydrophobicContact CG-CG2 3.86Å
435	T	95.2	Very high	83.1	Confident	54 Å²	54	58 Å²	58	33%	0.331	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.2	178.9	-59.3	0	0	0	0	110.9	K360 L361 S362	K360-T435 HydrophobicContact CD-CG2 4.16Å; K360-T435 HydrophobicContact CG-CG2 3.77Å; L361-T435 CarbonylContact O-C 3.58Å; L361-T435 VanDerWaalsContact O-CA 3.31Å; L361-T435 WeakPolarHBondContact O-CA 3.3Å; S362-T435 PolarHBondContact OG-OG1 2.72Å; S362-T435 VanDerWaalsContact OG-OG1 3.12Å
436	L	96.1	Very high	84.6	Confident	28 Å²	28	51.4 Å²	51.4	15%	0.147	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	110.9	175.6	-57.9	178.3	0	0	0	109	K360 L361 Y363 F440 I472	K360-L436 WeakPolarHBondContact CA-O 3.23Å; L361-L436 PolarHBondContact N-O 3.29Å; L361-L436 PolarHBondContact O-N 3.44Å; Y363-L436 HydrophobicContact CE1-CD1 4.26Å; L436-F440 HydrophobicContact CB-CE1 4.37Å; L436-F440 HydrophobicContact CB-CZ 3.92Å; L436-F440 HydrophobicContact CD1-CE1 4.41Å; L436-I472 HydrophobicContact CD1-CD1 3.97Å
437	D	96.4	Very high	86	Confident	69 Å²	69	51.2 Å²	51.2	37%	0.369	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	93.4	168.8	175.7	2.8	0	0	0	108.8	R358 K360 Y514	R358-D437 IonicContact CZ-OD1 3.73Å; R358-D437 IonicContact NE-OD1 3.83Å; R358-D437 IonicContact NH2-OD1 3.6Å; R358-D437 PolarHBondContact NH2-OD1 3.11Å; R358-D437 IonicContact NH2-OD2 2.68Å; K360-D437 HydrophobicContact CB-CB 4.44Å; D437-Y514 WeakPolarHBondContact OD1-CE2 3.45Å; D437-Y514 PolarHBondContact OD2-OH 3.45Å; D437-Y514 VanDerWaalsContact OD2-OH 3.1Å
438	K	96.1	Very high	87.8	Confident	106 Å²	106	47.6 Å²	47.6	46%	0.461	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	177.4	-171	-64.5	-173.8	-178.7	177.9	0	110.8	A359 F440	A359-K438 PolarHBondContact N-O 2.9Å; A359-K438 PolarHBondContact O-N 2.89Å; A359-K438 VanDerWaalsContact O-O 3.06Å; K438-F440 HydrophobicContact CB-CE1 4.13Å; K438-F440 HydrophobicContact CB-CE2 4.32Å; K438-F440 HydrophobicContact CB-CZ 3.88Å; K438-F440 WeakPolarHBondContact O-CE2 3.33Å
439	K	95.6	Very high	89.5	Confident	84 Å²	84	43.4 Å²	43.4	37%	0.365	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	139.8	162.4	-68.7	172	178.2	179.9	0	109.8	Y357 R358 E475	Y357-K439 CarbonylContact O-C 3.52Å; Y357-K439 WeakPolarHBondContact O-CA 3.41Å; R358-K439 HydrophobicContact CB-CG 4.01Å; R358-K439 HydrophobicContact CG-CG 4.26Å; K439-E475 HydrophobicContact CB-CB 4.11Å; K439-E475 HydrophobicContact CB-CG 4.38Å; K439-E475 WeakPolarHBondContact CD-OE1 3.47Å; K439-E475 IonicContact NZ-OE1 2.71Å; K439-E475 PolarHBondContact NZ-OE1 3.4Å; K439-E475 PolarHBondContact O-N 3.1Å
440	F	95.8	Very high	91.5	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.9	179.1	-51.2	-80.9	0	0	0	109.6	W322 T356 Y357 A359 L361 L436 K438 I443 I472	W322-F440 HydrophobicContact CZ3-CB 4.18Å; W322-F440 HydrophobicContact CZ3-CD2 4.33Å; T356-F440 CarbonylContact C-O 3.37Å; T356-F440 VanDerWaalsContact CA-O 3.3Å; T356-F440 WeakPolarHBondContact CA-O 3.5Å; Y357-F440 PolarHBondContact N-O 2.91Å; Y357-F440 PolarHBondContact O-N 2.86Å; A359-F440 HydrophobicContact CB-CD2 4.34Å; A359-F440 HydrophobicContact CB-CE2 4.26Å; A359-F440 WeakPolarHBondContact O-CE2 3.48Å; L361-F440 HydrophobicContact CB-CE2 4.29Å; L361-F440 HydrophobicContact CB-CZ 4.07Å; L436-F440 HydrophobicContact CB-CE1 4.37Å; L436-F440 HydrophobicContact CB-CZ 3.92Å; L436-F440 HydrophobicContact CD1-CE1 4.41Å; K438-F440 HydrophobicContact CB-CE1 4.13Å; K438-F440 HydrophobicContact CB-CE2 4.32Å; K438-F440 HydrophobicContact CB-CZ 3.88Å; K438-F440 WeakPolarHBondContact O-CE2 3.33Å; F440-I443 HydrophobicContact CB-CG1 4.21Å; F440-I443 HydrophobicContact CD1-CG1 4.47Å; F440-I443 HydrophobicContact CD2-CD1 3.8Å; F440-I443 HydrophobicContact CD2-CG1 4.38Å; F440-I443 HydrophobicContact CE2-CD1 4.1Å; F440-I443 HydrophobicContact CG-CD1 4.03Å; F440-I443 HydrophobicContact CG-CG1 4.11Å; F440-I472 HydrophobicContact CD1-CG2 3.53Å; F440-I472 HydrophobicContact CE1-CG2 3.73Å
441	V	94.2	Very high	93.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-47	166.2	173	0	0	0	0	109.1	F324 T356 Y357 L473 H474	F324-V441 HydrophobicContact CB-CG1 3.81Å; F324-V441 WeakPolarHBondContact CB-O 3.38Å; F324-V441 HydrophobicContact CD2-CG1 4.4Å; F324-V441 HydrophobicContact CG-CG1 4.09Å; F324-V441 PolarHBondContact N-O 2.97Å; T356-V441 HydrophobicContact CG2-CG2 4.26Å; Y357-V441 WeakPolarHBondContact CD2-O 3.45Å; Y357-V441 WeakPolarHBondContact CE2-O 3.37Å; V441-L473 HydrophobicContact CB-CB 3.92Å; V441-L473 HydrophobicContact CG1-CB 4.45Å; V441-L473 HydrophobicContact CG1-CD1 4.45Å; V441-L473 PolarHBondContact N-O 3.09Å; V441-H474 WeakPolarHBondContact CG2-O 3.26Å
442	T	94.9	Very high	94.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	152.5	177.5	-127.5	0	0	0	0	110	W322 F324 I325 L444 L471 L473	W322-T442 WeakPolarHBondContact O-CA 3.15Å; W322-T442 PolarHBondContact O-OG1 3.17Å; F324-T442 PolarHBondContact N-OG1 3.32Å; F324-T442 VanDerWaalsContact N-OG1 3.15Å; I325-T442 HydrophobicContact CB-CG2 4.49Å; I325-T442 HydrophobicContact CD1-CG2 3.69Å; I325-T442 HydrophobicContact CG1-CG2 3.9Å; I325-T442 PolarHBondContact N-OG1 3.26Å; T442-L444 HydrophobicContact CG2-CB 4.32Å; T442-L471 HydrophobicContact CG2-CD2 4.37Å; T442-L473 HydrophobicContact CG2-CB 4.28Å; T442-L473 HydrophobicContact CG2-CD1 3.85Å; T442-L473 HydrophobicContact CG2-CG 4.1Å; T442-L473 PolarHBondContact O-N 3.22Å
443	I	97.6	Very high	94.5	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.8	163.5	-60.6	167.6	0	0	0	106	W322 L361 F440 L470 I511	W322-I443 HydrophobicContact CB-CB 4.43Å; W322-I443 HydrophobicContact CE3-CB 3.93Å; W322-I443 HydrophobicContact CE3-CD1 3.77Å; W322-I443 HydrophobicContact CE3-CG1 3.84Å; W322-I443 HydrophobicContact CZ3-CD1 3.8Å; W322-I443 HydrophobicContact CZ3-CG1 4.09Å; W322-I443 PolarHBondContact N-O 3.25Å; W322-I443 PolarHBondContact O-N 3.42Å; W322-I443 VanDerWaalsContact O-O 3.14Å; L361-I443 HydrophobicContact CB-CD1 4.12Å; L361-I443 HydrophobicContact CD1-CD1 4.43Å; L361-I443 HydrophobicContact CD2-CD1 3.99Å; L361-I443 HydrophobicContact CD2-CG1 4.41Å; L361-I443 HydrophobicContact CD2-CG2 4.48Å; L361-I443 HydrophobicContact CG-CD1 4.4Å; F440-I443 HydrophobicContact CB-CG1 4.21Å; F440-I443 HydrophobicContact CD1-CG1 4.47Å; F440-I443 HydrophobicContact CD2-CD1 3.8Å; F440-I443 HydrophobicContact CD2-CG1 4.38Å; F440-I443 HydrophobicContact CE2-CD1 4.1Å; F440-I443 HydrophobicContact CG-CD1 4.03Å; F440-I443 HydrophobicContact CG-CG1 4.11Å; I443-L470 HydrophobicContact CG2-CD1 3.61Å; I443-I511 HydrophobicContact CB-CD1 3.98Å; I443-I511 HydrophobicContact CD1-CD1 3.87Å; I443-I511 HydrophobicContact CD1-CG2 4.43Å; I443-I511 HydrophobicContact CG2-CD1 3.65Å
444	L	97.2	Very high	94.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128.6	-177.1	174.5	67.7	0	0	0	108.9	I320 E321 I325 T442 L446 I451 M457 L471	I320-L444 WeakPolarHBondContact O-CA 3.15Å; I320-L444 WeakPolarHBondContact O-CD1 3.49Å; E321-L444 HydrophobicContact CB-CD1 4.29Å; E321-L444 HydrophobicContact CG-CD1 3.83Å; I325-L444 HydrophobicContact CD1-CD2 3.85Å; T442-L444 HydrophobicContact CG2-CB 4.32Å; L444-L446 HydrophobicContact CD1-CD1 4.41Å; L444-L446 HydrophobicContact CD1-CG 4.27Å; L444-L446 HydrophobicContact CD2-CD1 3.57Å; L444-L446 HydrophobicContact CD2-CD2 4.27Å; L444-L446 HydrophobicContact CD2-CG 4.1Å; L444-L446 HydrophobicContact CG-CD1 3.54Å; L444-L446 HydrophobicContact CG-CG 3.92Å; L444-I451 HydrophobicContact CD1-CD1 4.46Å; L444-I451 HydrophobicContact CD2-CD1 3.79Å; L444-M457 HydrophobicContact CD2-CE 3.7Å; L444-M457 HydrophobicContact CD2-SD 3.55Å; L444-M457 VanDerWaalsContact CD2-SD 3.55Å; L444-L471 HydrophobicContact CB-CB 4.26Å; L444-L471 PolarHBondContact N-O 2.98Å; L444-L471 PolarHBondContact O-N 3.04Å
445	V	97.8	Very high	94.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.1	174.7	-174	0	0	0	0	107	S319 I320 L468 N469 L470 L509	S319-V445 CarbonylContact C-O 3.39Å; S319-V445 WeakPolarHBondContact CA-O 3.41Å; S319-V445 WeakPolarHBondContact CB-O 3.31Å; I320-V445 HydrophobicContact CB-CB 4.01Å; I320-V445 HydrophobicContact CB-CG2 4.18Å; I320-V445 HydrophobicContact CD1-CB 4.39Å; I320-V445 HydrophobicContact CD1-CG2 4.36Å; I320-V445 PolarHBondContact N-O 3.27Å; I320-V445 PolarHBondContact O-N 3.41Å; V445-L468 HydrophobicContact CG1-CB 3.65Å; V445-L468 HydrophobicContact CG1-CD1 3.79Å; V445-L468 HydrophobicContact CG1-CG 4.23Å; V445-N469 CarbonylContact C-O 3.47Å; V445-N469 WeakPolarHBondContact CA-O 3.37Å; V445-L470 HydrophobicContact CG2-CD1 4.01Å; V445-L509 HydrophobicContact CG1-CD2 4.11Å; V445-L509 HydrophobicContact CG2-CD1 3.78Å; V445-L509 HydrophobicContact CG2-CD2 3.64Å; V445-L509 HydrophobicContact CG2-CG 4.38Å
446	L	96	Very high	93.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.1	176.6	-54.9	104.3	0	0	0	112.2	L444 I451 M457 Y458 N469	L444-L446 HydrophobicContact CD1-CD1 4.41Å; L444-L446 HydrophobicContact CD1-CG 4.27Å; L444-L446 HydrophobicContact CD2-CD1 3.57Å; L444-L446 HydrophobicContact CD2-CD2 4.27Å; L444-L446 HydrophobicContact CD2-CG 4.1Å; L444-L446 HydrophobicContact CG-CD1 3.54Å; L444-L446 HydrophobicContact CG-CG 3.92Å; L446-I451 HydrophobicContact CD2-CB 4.12Å; L446-I451 HydrophobicContact CD2-CD1 4.41Å; L446-I451 HydrophobicContact CD2-CG1 4.25Å; L446-M457 HydrophobicContact CD1-CG 4.47Å; L446-M457 HydrophobicContact CD1-SD 3.38Å; L446-M457 WeakPolarHBondContact CD1-SD 3.46Å; L446-M457 HydrophobicContact CD2-CB 4.5Å; L446-M457 HydrophobicContact CD2-SD 3.74Å; L446-M457 HydrophobicContact CG-SD 4.22Å; L446-Y458 HydrophobicContact CD1-CD2 4Å; L446-Y458 HydrophobicContact CD1-CE2 3.64Å; L446-N469 PolarHBondContact N-O 3.4Å; L446-N469 WeakPolarHBondContact O-CB 3.28Å; L446-N469 PolarHBondContact O-N 2.68Å; L446-N469 PolarHBondContact O-ND2 3.25Å
447	N	95.9	Very high	93.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-100.7	-27.5	168.6	-172.1	35.4	0	0	0	112	S301 I317 Q318 L468	S301-N447 PolarHBondContact O-ND2 3.36Å; I317-N447 WeakPolarHBondContact O-CB 3.41Å; I317-N447 PolarHBondContact O-ND2 2.64Å; Q318-N447 PolarHBondContact O-N 2.99Å; N447-L468 HydrophobicContact CB-CD2 3.75Å
448	H	94.7	Very high	93.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-95.5	157.6	-174.4	-75.9	60.2	0	0	0	113	S244 I317 H450 M463	S244-H448 VanDerWaalsContact CB-CD2 3.47Å; S244-H448 WeakPolarHBondContact CB-CD2 3.13Å; I317-H448 PolarHBondContact O-CE1 2.8Å; I317-H448 PolarHBondContact O-ND1 2.67Å; H448-H450 VanDerWaalsContact C-N 3.28Å; H448-H450 PolarHBondContact O-N 3.04Å; H448-M463 WeakPolarHBondContact NE2-CE 3.33Å
449	S	94.2	Very high	93.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-69.7	-27.1	172.7	55.3	0	0	0	0	113.8	S244 M457 Y458 A461	S244-S449 PolarHBondContact OG-OG 2.82Å; S449-M457 PolarHBondContact O-N 3.12Å; S449-Y458 WeakPolarHBondContact CA-O 3.32Å; S449-Y458 WeakPolarHBondContact CB-O 3.41Å; S449-Y458 PolarHBondContact O-N 2.92Å; S449-A461 WeakPolarHBondContact CB-O 3.39Å; S449-A461 PolarHBondContact N-O 3Å
450	H	93.7	Very high	93	Very high	7 Å²	7	16.5 Å²	16.5	3%	0.032	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	141	-176.3	-69.1	66.8	0	0	0	110.5	A243 Y247 H448 T452 A455	A243-H450 HydrophobicContact CB-CB 4.24Å; Y247-H450 AromaticContact CD2-CE1 3.6Å; Y247-H450 AromaticContact CG-CE1 3.56Å; H448-H450 VanDerWaalsContact C-N 3.28Å; H448-H450 PolarHBondContact O-N 3.04Å; H450-T452 WeakPolarHBondContact CB-O 3.3Å; H450-A455 WeakPolarHBondContact CA-O 3.35Å
451	I	91.5	Very high	92.9	Very high	21 Å²	21	16.7 Å²	16.7	11%	0.108	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-26.1	167.9	-165.6	171.5	0	0	0	111.7	S240 L444 L446 A455 M457	S240-I451 WeakPolarHBondContact CB-O 3.4Å; L444-I451 HydrophobicContact CD1-CD1 4.46Å; L444-I451 HydrophobicContact CD2-CD1 3.79Å; L446-I451 HydrophobicContact CD2-CB 4.12Å; L446-I451 HydrophobicContact CD2-CD1 4.41Å; L446-I451 HydrophobicContact CD2-CG1 4.25Å; I451-A455 HydrophobicContact CG2-CB 3.7Å; I451-A455 PolarHBondContact N-O 2.88Å; I451-A455 VanDerWaalsContact N-O 3.07Å; I451-M457 HydrophobicContact CD1-CE 3.91Å; I451-M457 HydrophobicContact CG2-CE 4.36Å
452	T	90.2	Very high	92.9	Very high	14 Å²	14	18.1 Å²	18.1	9%	0.086	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	171.7	168.3	67.9	0	0	0	0	108.6	A238 E340 F343 H450 S454 A455	A238-T452 HydrophobicContact CB-CG2 4.38Å; E340-T452 WeakPolarHBondContact OE1-CB 3.02Å; F343-T452 HydrophobicContact CD2-CG2 4.02Å; F343-T452 HydrophobicContact CE2-CG2 3.9Å; H450-T452 WeakPolarHBondContact CB-O 3.3Å; T452-S454 PolarHBondContact O-N 2.89Å; T452-S454 VanDerWaalsContact O-N 3.1Å; T452-A455 PolarHBondContact O-N 3.3Å; T452-A455 WeakPolarHBondContact OG1-CB 3.41Å; T452-A455 PolarHBondContact OG1-N 3.3Å
453	S	88.8	Confident	92.9	Very high	22 Å²	22	18.2 Å²	18.2	15%	0.154	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.6	179.9	68.2	0	0	0	0	114.4	A238 E340	A238-S453 WeakPolarHBondContact O-CA 3.42Å; A238-S453 WeakPolarHBondContact O-CB 3.16Å; A238-S453 PolarHBondContact O-N 2.87Å; A238-S453 PolarHBondContact O-OG 3.27Å; E340-S453 WeakPolarHBondContact OE1-CA 3.36Å; E340-S453 WeakPolarHBondContact OE1-CB 3.35Å; E340-S453 PolarHBondContact OE1-N 2.85Å; E340-S453 PolarHBondContact OE1-OG 3.44Å
454	S	86.7	Confident	92.7	Very high	70 Å²	70	20 Å²	20	49%	0.49	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-8	178.7	65.5	0	0	0	0	115.1	E340 T452	E340-S454 VanDerWaalsContact OE2-CB 3.27Å; E340-S454 WeakPolarHBondContact OE2-CB 3.32Å; E340-S454 PolarHBondContact OE2-OG 3.46Å; T452-S454 PolarHBondContact O-N 2.89Å; T452-S454 VanDerWaalsContact O-N 3.1Å
455	A	89.6	Confident	92.6	Very high	13 Å²	13	21 Å²	21	11%	0.107	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	107	-176.1	0	0	0	0	0	111.6	H450 I451 T452 L489	H450-A455 WeakPolarHBondContact CA-O 3.35Å; I451-A455 HydrophobicContact CG2-CB 3.7Å; I451-A455 PolarHBondContact N-O 2.88Å; I451-A455 VanDerWaalsContact N-O 3.07Å; T452-A455 PolarHBondContact O-N 3.3Å; T452-A455 WeakPolarHBondContact OG1-CB 3.41Å; T452-A455 PolarHBondContact OG1-N 3.3Å; A455-L489 HydrophobicContact CB-CB 4.18Å
456	V	89.8	Confident	92.4	Very high	12 Å²	12	23.9 Å²	23.9	7%	0.073	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	119.4	173.1	-167.2	0	0	0	0	108.3	P459 L489	V456-P459 HydrophobicContact CG1-CB 4.46Å; V456-P459 HydrophobicContact CG1-CG 3.79Å; V456-L489 PolarHBondContact N-O 2.85Å; V456-L489 WeakPolarHBondContact O-CD2 3.24Å
457	M	91	Very high	92.3	Very high	2 Å²	2	25 Å²	25	1%	0.01	15%	0.147	C	C	.	.	S	Bend	trans	-98	-49.3	178.2	-168.6	168.3	-87.4	0	0	111.2	L444 L446 S449 I451 L471 L489 G494 L495	L444-M457 HydrophobicContact CD2-CE 3.7Å; L444-M457 HydrophobicContact CD2-SD 3.55Å; L444-M457 VanDerWaalsContact CD2-SD 3.55Å; L446-M457 HydrophobicContact CD1-CG 4.47Å; L446-M457 HydrophobicContact CD1-SD 3.38Å; L446-M457 WeakPolarHBondContact CD1-SD 3.46Å; L446-M457 HydrophobicContact CD2-CB 4.5Å; L446-M457 HydrophobicContact CD2-SD 3.74Å; L446-M457 HydrophobicContact CG-SD 4.22Å; S449-M457 PolarHBondContact O-N 3.12Å; I451-M457 HydrophobicContact CD1-CE 3.91Å; I451-M457 HydrophobicContact CG2-CE 4.36Å; M457-L471 HydrophobicContact CE-CD1 4.16Å; M457-L471 HydrophobicContact CG-CD1 4.49Å; M457-L471 HydrophobicContact SD-CD1 3.76Å; M457-L489 HydrophobicContact CB-CD2 3.87Å; M457-L489 HydrophobicContact CE-CD1 4.24Å; M457-L489 HydrophobicContact CE-CD2 3.87Å; M457-L489 HydrophobicContact CG-CD2 3.98Å; M457-G494 CarbonylContact O-C 3.54Å; M457-G494 WeakPolarHBondContact O-CA 3.48Å; M457-L495 HydrophobicContact CE-CD1 4.07Å; M457-L495 HydrophobicContact CG-CD1 3.58Å; M457-L495 HydrophobicContact CG-CG 4.05Å; M457-L495 PolarHBondContact O-N 3.48Å; M457-L495 HydrophobicContact SD-CD1 4.24Å
458	Y	91.4	Very high	92.3	Very high	15 Å²	15	25 Å²	25	6%	0.059	15%	0.147	C	C	.	.			trans	-133.2	85.8	-178.6	-66.7	-60.2	0	0	0	111.2	L446 S449 D460 A461 N469 L471 L495 I503	L446-Y458 HydrophobicContact CD1-CD2 4Å; L446-Y458 HydrophobicContact CD1-CE2 3.64Å; S449-Y458 WeakPolarHBondContact CA-O 3.32Å; S449-Y458 WeakPolarHBondContact CB-O 3.41Å; S449-Y458 PolarHBondContact O-N 2.92Å; Y458-D460 PolarHBondContact O-N 2.89Å; Y458-A461 WeakPolarHBondContact O-CB 3.05Å; Y458-A461 PolarHBondContact O-N 3.34Å; Y458-N469 HydrophobicContact CD2-CB 3.99Å; Y458-N469 HydrophobicContact CE2-CB 4.03Å; Y458-L471 WeakPolarHBondContact OH-CB 3.35Å; Y458-L471 WeakPolarHBondContact OH-CD1 3.42Å; Y458-L495 HydrophobicContact CE1-CB 4.13Å; Y458-I503 HydrophobicContact CD1-CG2 4.32Å; Y458-I503 HydrophobicContact CE1-CB 4.27Å; Y458-I503 HydrophobicContact CE1-CD1 3.41Å; Y458-I503 VanDerWaalsContact CE1-CD1 3.41Å; Y458-I503 HydrophobicContact CE1-CG1 4.07Å; Y458-I503 HydrophobicContact CE1-CG2 3.37Å; Y458-I503 HydrophobicContact CE2-CG2 4.45Å; Y458-I503 VanDerWaalsContact CZ-CG2 3.44Å; Y458-I503 WeakPolarHBondContact OH-CD1 3.46Å; Y458-I503 WeakPolarHBondContact OH-CG1 3.33Å; Y458-I503 WeakPolarHBondContact OH-CG2 3.23Å
459	P	90.5	Very high	92.4	Very high	20 Å²	20	25.5 Å²	25.5	13%	0.13	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.6	-44.8	179.5	-36	39.4	0	0	0	114.8	Y247 H248 V456 G494	Y247-P459 WeakPolarHBondContact CE1-O 3.45Å; Y247-P459 VanDerWaalsContact OH-CB 3.28Å; Y247-P459 WeakPolarHBondContact OH-CB 3.44Å; H248-P459 PolarHBondContact CE1-O 2.84Å; V456-P459 HydrophobicContact CG1-CB 4.46Å; V456-P459 HydrophobicContact CG1-CG 3.79Å; P459-G494 VanDerWaalsContact CD-CA 3.43Å
460	D	90.6	Very high	92.6	Very high	149 Å²	149	25.5 Å²	25.5	80%	0.797	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-12.6	-175.5	-58.5	-41.3	0	0	0	113.8	Y458 H462	Y458-D460 PolarHBondContact O-N 2.89Å; D460-H462 PolarHBondContact O-N 2.82Å
461	A	94.5	Very high	92.7	Very high	3 Å²	3	25.3 Å²	25.3	3%	0.025	15%	0.149	C	C	.	.			trans	-68.7	123.7	178.7	0	0	0	0	0	110.2	H248 S449 Y458 N469	H248-A461 PolarHBondContact NE2-O 3.07Å; S449-A461 WeakPolarHBondContact CB-O 3.39Å; S449-A461 PolarHBondContact N-O 3Å; Y458-A461 WeakPolarHBondContact O-CB 3.05Å; Y458-A461 PolarHBondContact O-N 3.34Å; A461-N469 WeakPolarHBondContact CB-ND2 3.39Å
462	H	94.7	Very high	93	Very high	31 Å²	31	24.3 Å²	24.3	14%	0.144	14%	0.144	C	C	.	.			trans	-118.1	139.5	178.4	-167.9	-91.7	0	0	0	109.6	H248 D460 S464 D465	H248-H462 AromaticContact CD2-CD2 3.65Å; H248-H462 AromaticContact CE1-CD2 3.98Å; H248-H462 AromaticContact CG-CD2 3.58Å; H248-H462 AromaticContact ND1-CD2 3.81Å; H248-H462 AromaticContact NE2-CD2 3.88Å; D460-H462 PolarHBondContact O-N 2.82Å; H462-S464 PolarHBondContact CE1-OG 2.86Å; H462-S464 WeakPolarHBondContact ND1-CB 3.33Å; H462-S464 PolarHBondContact ND1-N 3.42Å; H462-S464 PolarHBondContact ND1-OG 3.05Å; H462-S464 PolarHBondContact O-N 2.8Å; H462-D465 PolarHBondContact N-OD2 2.82Å; H462-D465 WeakPolarHBondContact O-CB 3.2Å; H462-D465 PolarHBondContact O-N 2.86Å
463	M	94.5	Very high	93.3	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-8.8	-176.9	64.3	-178.1	67	0	0	114.9	I245 T298 V300 S301 H448 V544	I245-M463 HydrophobicContact CD1-CE 4.35Å; I245-M463 HydrophobicContact CG1-CE 3.52Å; I245-M463 HydrophobicContact CG1-SD 4.47Å; T298-M463 HydrophobicContact CG2-CG 3.78Å; T298-M463 HydrophobicContact CG2-SD 4.16Å; V300-M463 CarbonylContact C-O 3.46Å; V300-M463 WeakPolarHBondContact CA-O 3.29Å; V300-M463 HydrophobicContact CG1-CB 4.32Å; V300-M463 HydrophobicContact CG2-CG 4.15Å; V300-M463 HydrophobicContact CG2-SD 3.81Å; S301-M463 PolarHBondContact N-O 3.15Å; H448-M463 WeakPolarHBondContact NE2-CE 3.33Å; M463-V544 HydrophobicContact SD-CB 4.49Å; M463-V544 HydrophobicContact SD-CG1 4.45Å
464	S	93.8	Very high	93.6	Very high	37 Å²	37	23.9 Å²	23.9	26%	0.259	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	4.9	173.8	75.2	0	0	0	0	113	P299 H462	P299-S464 VanDerWaalsContact O-CA 3.29Å; P299-S464 WeakPolarHBondContact O-CA 3.27Å; P299-S464 WeakPolarHBondContact O-CB 3.41Å; H462-S464 PolarHBondContact CE1-OG 2.86Å; H462-S464 WeakPolarHBondContact ND1-CB 3.33Å; H462-S464 PolarHBondContact ND1-N 3.42Å; H462-S464 PolarHBondContact ND1-OG 3.05Å; H462-S464 PolarHBondContact O-N 2.8Å
465	D	95.2	Very high	94	Very high	23 Å²	23	24.5 Å²	24.5	12%	0.123	13%	0.134	C	C	.	.			trans	-62.7	138.7	178.2	-75.7	-14.7	0	0	0	108.8	S301 H462 Y467	S301-D465 WeakPolarHBondContact CB-O 3.27Å; S301-D465 PolarHBondContact OG-O 2.92Å; H462-D465 PolarHBondContact N-OD2 2.82Å; H462-D465 WeakPolarHBondContact O-CB 3.2Å; H462-D465 PolarHBondContact O-N 2.86Å; D465-Y467 HydrophobicContact CB-CD1 4.38Å; D465-Y467 HydrophobicContact CB-CD2 4.24Å; D465-Y467 HydrophobicContact CB-CE1 4.09Å; D465-Y467 HydrophobicContact CB-CE2 3.89Å; D465-Y467 HydrophobicContact CB-CG 4.44Å; D465-Y467 PolarHBondContact O-N 2.94Å; D465-Y467 PolarHBondContact OD2-OH 3.44Å
466	P	92.5	Very high	94.1	Very high	60 Å²	60	28.4 Å²	28.4	39%	0.39	15%	0.153	S	C	.	.	S	Bend	trans	-77.7	17.3	179.7	34.3	-37.6	0	0	0	112.7	F366 V537 P539	F366-P466 HydrophobicContact CE2-CB 4.24Å; F366-P466 HydrophobicContact CE2-CG 3.91Å; F366-P466 HydrophobicContact CZ-CB 4.45Å; F366-P466 HydrophobicContact CZ-CG 3.66Å; P466-V537 WeakPolarHBondContact O-CG1 3.14Å; P466-P539 HydrophobicContact CB-CG 4.45Å
467	Y	94.6	Very high	94.3	Very high	24 Å²	24	27.9 Å²	27.9	9%	0.094	15%	0.149	C	C	.	.	S	Bend	trans	-146.5	163.6	-177.7	56.8	-102.3	0	0	0	109.8	F366 D465 K505	F366-Y467 HydrophobicContact CB-CG 4.48Å; F366-Y467 AromaticContact CD1-CD1 3.61Å; F366-Y467 HydrophobicContact CD1-CD1 3.61Å; F366-Y467 HydrophobicContact CD1-CE1 4.3Å; F366-Y467 HydrophobicContact CD1-CG 4.28Å; F366-Y467 HydrophobicContact CD2-CD1 4.17Å; F366-Y467 HydrophobicContact CD2-CG 4.45Å; F366-Y467 AromaticContact CE1-CD1 3.62Å; F366-Y467 HydrophobicContact CE1-CD1 3.62Å; F366-Y467 HydrophobicContact CE1-CE1 4.14Å; F366-Y467 HydrophobicContact CE2-CD1 4.23Å; F366-Y467 AromaticContact CG-CD1 3.89Å; F366-Y467 HydrophobicContact CG-CD1 3.89Å; F366-Y467 HydrophobicContact CG-CG 4.16Å; F366-Y467 AromaticContact CZ-CD1 3.97Å; F366-Y467 HydrophobicContact CZ-CD1 3.97Å; D465-Y467 HydrophobicContact CB-CD1 4.38Å; D465-Y467 HydrophobicContact CB-CD2 4.24Å; D465-Y467 HydrophobicContact CB-CE1 4.09Å; D465-Y467 HydrophobicContact CB-CE2 3.89Å; D465-Y467 HydrophobicContact CB-CG 4.44Å; D465-Y467 PolarHBondContact O-N 2.94Å; D465-Y467 PolarHBondContact OD2-OH 3.44Å; Y467-K505 HydrophobicContact CD1-CD 4.25Å; Y467-K505 HydrophobicContact CD2-CB 3.8Å; Y467-K505 HydrophobicContact CD2-CD 3.89Å; Y467-K505 HydrophobicContact CD2-CG 3.72Å; Y467-K505 HydrophobicContact CE1-CD 3.91Å; Y467-K505 HydrophobicContact CE2-CB 4.3Å; Y467-K505 HydrophobicContact CE2-CD 3.55Å; Y467-K505 HydrophobicContact CE2-CG 3.71Å; Y467-K505 HydrophobicContact CG-CB 4.02Å; Y467-K505 HydrophobicContact CG-CD 4.26Å; Y467-K505 HydrophobicContact CG-CG 4.32Å; Y467-K505 PolarHBondContact OH-NZ 2.93Å
468	L	96.6	Very high	94.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	155	171.3	-58.9	168	0	0	0	109.8	I303 V445 N447 K505 V506 V537	I303-L468 HydrophobicContact CD1-CD2 4.36Å; I303-L468 HydrophobicContact CG1-CD1 3.93Å; I303-L468 HydrophobicContact CG1-CD2 3.74Å; I303-L468 HydrophobicContact CG2-CD1 4.47Å; V445-L468 HydrophobicContact CG1-CB 3.65Å; V445-L468 HydrophobicContact CG1-CD1 3.79Å; V445-L468 HydrophobicContact CG1-CG 4.23Å; N447-L468 HydrophobicContact CB-CD2 3.75Å; L468-K505 CarbonylContact O-C 3.57Å; L468-K505 WeakPolarHBondContact O-CA 3.48Å; L468-V506 HydrophobicContact CB-CG2 4.18Å; L468-V506 PolarHBondContact N-O 3.04Å; L468-V506 PolarHBondContact O-N 3.3Å; L468-V537 HydrophobicContact CD1-CB 4.15Å; L468-V537 HydrophobicContact CD2-CG2 4.28Å; L468-V537 HydrophobicContact CG-CB 3.96Å; L468-V537 HydrophobicContact CG-CG2 4.11Å
469	N	96.6	Very high	94.1	Very high	11 Å²	11	36.1 Å²	36.1	6%	0.059	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	111.1	175.2	-61.9	-83.1	0	0	0	109.3	V445 L446 Y458 A461	V445-N469 CarbonylContact C-O 3.47Å; V445-N469 WeakPolarHBondContact CA-O 3.37Å; L446-N469 PolarHBondContact N-O 3.4Å; L446-N469 WeakPolarHBondContact O-CB 3.28Å; L446-N469 PolarHBondContact O-N 2.68Å; L446-N469 PolarHBondContact O-ND2 3.25Å; Y458-N469 HydrophobicContact CD2-CB 3.99Å; Y458-N469 HydrophobicContact CE2-CB 4.03Å; A461-N469 WeakPolarHBondContact CB-ND2 3.39Å
470	L	97.7	Very high	94	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	117.7	174.9	175.7	64.4	0	0	0	109.8	L361 Y363 I443 V445 I472 I503 V504 V506	L361-L470 HydrophobicContact CD2-CD2 4.38Å; Y363-L470 HydrophobicContact CD1-CD2 3.64Å; Y363-L470 HydrophobicContact CD2-CD2 4.08Å; Y363-L470 HydrophobicContact CE1-CD2 4.16Å; Y363-L470 HydrophobicContact CG-CD2 3.58Å; I443-L470 HydrophobicContact CG2-CD1 3.61Å; V445-L470 HydrophobicContact CG2-CD1 4.01Å; L470-I472 HydrophobicContact CD1-CG1 4.33Å; L470-I472 HydrophobicContact CD2-CD1 4.06Å; L470-I472 HydrophobicContact CD2-CG1 4.26Å; L470-I472 HydrophobicContact CG-CD1 4.29Å; L470-I472 HydrophobicContact CG-CG1 3.96Å; L470-I503 CarbonylContact O-C 3.59Å; L470-I503 WeakPolarHBondContact O-CA 3.27Å; L470-V504 WeakPolarHBondContact CB-O 3.45Å; L470-V504 PolarHBondContact N-O 2.93Å; L470-V504 PolarHBondContact O-N 2.96Å; L470-V506 HydrophobicContact CB-CG1 3.81Å; L470-V506 HydrophobicContact CB-CG2 3.86Å; L470-V506 HydrophobicContact CD2-CG1 3.88Å
471	L	96.8	Very high	94	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.9	171.5	-173.5	163.6	0	0	0	109.2	T442 L444 M457 Y458 L473 L495 M501 D502	T442-L471 HydrophobicContact CG2-CD2 4.37Å; L444-L471 HydrophobicContact CB-CB 4.26Å; L444-L471 PolarHBondContact N-O 2.98Å; L444-L471 PolarHBondContact O-N 3.04Å; M457-L471 HydrophobicContact CE-CD1 4.16Å; M457-L471 HydrophobicContact CG-CD1 4.49Å; M457-L471 HydrophobicContact SD-CD1 3.76Å; Y458-L471 WeakPolarHBondContact OH-CB 3.35Å; Y458-L471 WeakPolarHBondContact OH-CD1 3.42Å; L471-L473 HydrophobicContact CD2-CD1 4.43Å; L471-L473 HydrophobicContact CD2-CD2 4.11Å; L471-L473 HydrophobicContact CD2-CG 3.67Å; L471-L495 HydrophobicContact CD1-CD1 3.7Å; L471-M501 HydrophobicContact CD1-SD 4.01Å; L471-M501 HydrophobicContact CD2-CG 4.24Å; L471-M501 HydrophobicContact CD2-SD 4.25Å; L471-M501 HydrophobicContact CG-CG 4.2Å; L471-M501 HydrophobicContact CG-SD 4.1Å; L471-D502 WeakPolarHBondContact CA-O 3.31Å
472	I	97.5	Very high	93.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.6	177.6	-52.3	171.2	0	0	0	108.5	L361 Y363 L436 F440 L470 M501 D502	L361-I472 HydrophobicContact CD2-CD1 3.58Å; L361-I472 HydrophobicContact CD2-CG1 3.93Å; Y363-I472 HydrophobicContact CE1-CD1 4.13Å; L436-I472 HydrophobicContact CD1-CD1 3.97Å; F440-I472 HydrophobicContact CD1-CG2 3.53Å; F440-I472 HydrophobicContact CE1-CG2 3.73Å; L470-I472 HydrophobicContact CD1-CG1 4.33Å; L470-I472 HydrophobicContact CD2-CD1 4.06Å; L470-I472 HydrophobicContact CD2-CG1 4.26Å; L470-I472 HydrophobicContact CG-CD1 4.29Å; L470-I472 HydrophobicContact CG-CG1 3.96Å; I472-M501 VanDerWaalsContact O-CA 3.27Å; I472-M501 WeakPolarHBondContact O-CA 3.41Å; I472-D502 HydrophobicContact CB-CB 4.31Å; I472-D502 HydrophobicContact CD1-CB 4.43Å; I472-D502 PolarHBondContact N-O 3.47Å; I472-D502 PolarHBondContact O-N 3.32Å
473	L	95.5	Very high	93.4	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	115	168.3	-70	178.7	0	0	0	109.8	V441 T442 L471 L482 L485 M501	V441-L473 HydrophobicContact CB-CB 3.92Å; V441-L473 HydrophobicContact CG1-CB 4.45Å; V441-L473 HydrophobicContact CG1-CD1 4.45Å; V441-L473 PolarHBondContact N-O 3.09Å; T442-L473 HydrophobicContact CG2-CB 4.28Å; T442-L473 HydrophobicContact CG2-CD1 3.85Å; T442-L473 HydrophobicContact CG2-CG 4.1Å; T442-L473 PolarHBondContact O-N 3.22Å; L471-L473 HydrophobicContact CD2-CD1 4.43Å; L471-L473 HydrophobicContact CD2-CD2 4.11Å; L471-L473 HydrophobicContact CD2-CG 3.67Å; L473-L482 HydrophobicContact CD1-CD2 4.26Å; L473-L485 HydrophobicContact CD1-CD2 4.15Å; L473-M501 HydrophobicContact CD2-CB 3.83Å; L473-M501 HydrophobicContact CD2-CG 3.67Å; L473-M501 HydrophobicContact CD2-SD 3.76Å
474	H	96.1	Very high	93	Very high	23 Å²	23	43.5 Å²	43.5	11%	0.106	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	157.1	-177.1	-66.2	-70.7	0	0	0	112.5	V441 N476 T477 N500 D502	V441-H474 WeakPolarHBondContact CG2-O 3.26Å; H474-N476 WeakPolarHBondContact CB-OD1 3.41Å; H474-N476 PolarHBondContact O-N 3.24Å; H474-N476 VanDerWaalsContact O-N 3.14Å; H474-T477 WeakPolarHBondContact O-CB 3.45Å; H474-T477 PolarHBondContact O-N 3.25Å; H474-T477 PolarHBondContact O-OG1 2.71Å; H474-N500 PolarHBondContact CD2-O 3.46Å; H474-N500 PolarHBondContact N-O 3.12Å; H474-D502 IonicContact CD2-OD2 3.71Å; H474-D502 IonicContact CE1-OD2 3.04Å; H474-D502 PolarHBondContact CE1-OD2 3.21Å; H474-D502 IonicContact NE2-OD2 2.82Å; H474-D502 PolarHBondContact NE2-OD2 2.92Å
475	E	94.1	Very high	92.7	Very high	83 Å²	83	43.2 Å²	43.2	39%	0.388	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-32	177.8	173.2	173.5	-148.5	0	0	113.8	K354 T356 K439 T477	K354-E475 WeakPolarHBondContact CE-O 3.38Å; K354-E475 PolarHBondContact NZ-O 2.89Å; T356-E475 HydrophobicContact CG2-CG 4.18Å; K439-E475 HydrophobicContact CB-CB 4.11Å; K439-E475 HydrophobicContact CB-CG 4.38Å; K439-E475 WeakPolarHBondContact CD-OE1 3.47Å; K439-E475 IonicContact NZ-OE1 2.71Å; K439-E475 PolarHBondContact NZ-OE1 3.4Å; K439-E475 PolarHBondContact O-N 3.1Å; E475-T477 PolarHBondContact O-N 3.35Å
476	N	92.9	Very high	92.2	Very high	95 Å²	95	44 Å²	44	51%	0.508	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-7.1	178.9	67	-18.1	0	0	0	114	H474 T478 N500	H474-N476 WeakPolarHBondContact CB-OD1 3.41Å; H474-N476 PolarHBondContact O-N 3.24Å; H474-N476 VanDerWaalsContact O-N 3.14Å; N476-T478 PolarHBondContact O-N 3.48Å; N476-N500 VanDerWaalsContact OD1-CB 3.32Å; N476-N500 WeakPolarHBondContact OD1-CB 3.49Å
477	T	92.4	Very high	91.9	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	25%	0.245	C	C	.	.			trans	-56.1	120	177.7	-64.3	0	0	0	0	111.6	K354 H474 E475 D481 L482 N500	K354-T477 WeakPolarHBondContact CE-O 3.29Å; K354-T477 PolarHBondContact NZ-O 3.44Å; H474-T477 WeakPolarHBondContact O-CB 3.45Å; H474-T477 PolarHBondContact O-N 3.25Å; H474-T477 PolarHBondContact O-OG1 2.71Å; E475-T477 PolarHBondContact O-N 3.35Å; T477-D481 HydrophobicContact CG2-CB 3.92Å; T477-L482 HydrophobicContact CG2-CD2 3.78Å; T477-L482 HydrophobicContact CG2-CG 3.87Å; T477-N500 PolarHBondContact OG1-ND2 3.08Å; T477-N500 VanDerWaalsContact OG1-ND2 3.1Å; T477-N500 PolarHBondContact OG1-O 3.03Å
478	T	90.8	Very high	91.5	Very high	59 Å²	59	49.5 Å²	49.5	36%	0.362	25%	0.252	S	S	.	.			trans	-84.6	169.3	-179	74.6	0	0	0	0	112	N476 F480 D481 L482	N476-T478 PolarHBondContact O-N 3.48Å; T478-F480 VanDerWaalsContact C-N 3.26Å; T478-F480 PolarHBondContact O-N 3.09Å; T478-F480 PolarHBondContact OG1-N 3.25Å; T478-D481 WeakPolarHBondContact CA-OD2 3.48Å; T478-D481 VanDerWaalsContact CB-OD2 3.26Å; T478-D481 WeakPolarHBondContact CB-OD2 3.39Å; T478-D481 WeakPolarHBondContact CG2-OD2 3.37Å; T478-D481 PolarHBondContact N-OD2 3.01Å; T478-D481 WeakPolarHBondContact O-CB 3.4Å; T478-D481 PolarHBondContact O-N 3.1Å; T478-D481 PolarHBondContact OG1-N 3.42Å; T478-D481 PolarHBondContact OG1-OD2 3.06Å; T478-L482 PolarHBondContact O-N 3.06Å; T478-L482 VanDerWaalsContact O-N 3.1Å
479	R	88.6	Confident	91	Very high	131 Å²	131	50.8 Å²	50.8	49%	0.494	26%	0.258	S	S	.	.	H	α-helix	trans	-64.3	-33	172.6	-63.8	-177.1	-176.2	113.1	-1.1	112	L351 M352 D481 L482 L483	L351-R479 WeakPolarHBondContact O-CD 3.4Å; L351-R479 PolarHBondContact O-NE 3.45Å; M352-R479 PolarHBondContact O-NH2 2.96Å; R479-D481 VanDerWaalsContact C-N 3.3Å; R479-L482 PolarHBondContact O-N 3.3Å; R479-L483 WeakPolarHBondContact O-CB 3.08Å; R479-L483 WeakPolarHBondContact O-CG 3.44Å; R479-L483 PolarHBondContact O-N 3.27Å
480	F	88.9	Confident	90.3	Very high	163 Å²	163	54.6 Å²	54.6	72%	0.715	29%	0.286	S	S	*	.	H	α-helix	trans	-65.5	-37.2	174.9	-68.6	-71.3	0	0	0	111.3	T478 L483 A484	T478-F480 VanDerWaalsContact C-N 3.26Å; T478-F480 PolarHBondContact O-N 3.09Å; T478-F480 PolarHBondContact OG1-N 3.25Å; F480-L483 PolarHBondContact O-N 2.89Å; F480-A484 WeakPolarHBondContact O-CB 3.36Å; F480-A484 PolarHBondContact O-N 3.27Å
481	D	90.1	Very high	89.7	Confident	53 Å²	53	57.8 Å²	57.8	28%	0.283	31%	0.308	S	S	.	.	H	α-helix	trans	-66.7	-43.5	175.8	-55.3	-39.3	0	0	0	111.2	T477 T478 R479 L483 A484 L485 N500	T477-D481 HydrophobicContact CG2-CB 3.92Å; T478-D481 WeakPolarHBondContact CA-OD2 3.48Å; T478-D481 VanDerWaalsContact CB-OD2 3.26Å; T478-D481 WeakPolarHBondContact CB-OD2 3.39Å; T478-D481 WeakPolarHBondContact CG2-OD2 3.37Å; T478-D481 PolarHBondContact N-OD2 3.01Å; T478-D481 WeakPolarHBondContact O-CB 3.4Å; T478-D481 PolarHBondContact O-N 3.1Å; T478-D481 PolarHBondContact OG1-N 3.42Å; T478-D481 PolarHBondContact OG1-OD2 3.06Å; R479-D481 VanDerWaalsContact C-N 3.3Å; D481-L483 VanDerWaalsContact C-N 3.34Å; D481-L483 PolarHBondContact O-N 2.93Å; D481-A484 PolarHBondContact O-N 2.67Å; D481-L485 WeakPolarHBondContact O-CB 3.49Å; D481-L485 PolarHBondContact O-N 2.91Å; D481-N500 WeakPolarHBondContact CB-ND2 3.43Å
482	L	88.7	Confident	89	Confident	14 Å²	14	58.9 Å²	58.9	7%	0.073	32%	0.32	C	S	.	.	H	α-helix	trans	-63.8	-37	175	-65.3	174.2	0	0	0	112.5	L351 L473 T477 T478 R479 L485 G486	L351-L482 HydrophobicContact CD2-CB 3.34Å; L351-L482 HydrophobicContact CD2-CD1 3.8Å; L351-L482 HydrophobicContact CD2-CG 4.22Å; L473-L482 HydrophobicContact CD1-CD2 4.26Å; T477-L482 HydrophobicContact CG2-CD2 3.78Å; T477-L482 HydrophobicContact CG2-CG 3.87Å; T478-L482 PolarHBondContact O-N 3.06Å; T478-L482 VanDerWaalsContact O-N 3.1Å; R479-L482 PolarHBondContact O-N 3.3Å; L482-L485 HydrophobicContact CD2-CD2 4.46Å; L482-L485 WeakPolarHBondContact O-CB 3.08Å; L482-L485 PolarHBondContact O-N 2.85Å; L482-G486 PolarHBondContact O-N 2.8Å; L482-G486 VanDerWaalsContact O-N 3.13Å
483	L	86.9	Confident	88.2	Confident	90 Å²	90	65 Å²	65	47%	0.471	35%	0.349	S	S	.	.	H	α-helix	trans	-68.9	-37.4	173.2	-74.5	171	0	0	0	112.2	L351 R479 F480 D481 R487	L351-L483 HydrophobicContact CD1-CD2 3.66Å; L351-L483 HydrophobicContact CD1-CG 4.26Å; L351-L483 HydrophobicContact CD2-CG 4.5Å; R479-L483 WeakPolarHBondContact O-CB 3.08Å; R479-L483 WeakPolarHBondContact O-CG 3.44Å; R479-L483 PolarHBondContact O-N 3.27Å; F480-L483 PolarHBondContact O-N 2.89Å; D481-L483 VanDerWaalsContact C-N 3.34Å; D481-L483 PolarHBondContact O-N 2.93Å; L483-R487 PolarHBondContact O-N 3.08Å
484	A	87.4	Confident	87.8	Confident	41 Å²	41	65.3 Å²	65.3	34%	0.339	35%	0.353	S	S	.	.	H	α-helix	trans	-65.8	-41.3	174.1	0	0	0	0	0	111.2	F480 D481 R487 A488	F480-A484 WeakPolarHBondContact O-CB 3.36Å; F480-A484 PolarHBondContact O-N 3.27Å; D481-A484 PolarHBondContact O-N 2.67Å; A484-R487 PolarHBondContact O-N 3.46Å; A484-A488 PolarHBondContact O-N 2.78Å
485	L	87	Confident	87.6	Confident	30 Å²	30	65.1 Å²	65.1	16%	0.157	35%	0.352	C	S	.	.	H	α-helix	trans	-56.3	-50.9	174.8	-178.9	69.1	0	0	0	111.4	L473 D481 L482 R487 A488 L489 L495 M501	L473-L485 HydrophobicContact CD1-CD2 4.15Å; D481-L485 WeakPolarHBondContact O-CB 3.49Å; D481-L485 PolarHBondContact O-N 2.91Å; L482-L485 HydrophobicContact CD2-CD2 4.46Å; L482-L485 WeakPolarHBondContact O-CB 3.08Å; L482-L485 PolarHBondContact O-N 2.85Å; L485-R487 VanDerWaalsContact C-N 3.3Å; L485-R487 PolarHBondContact O-N 3.15Å; L485-A488 PolarHBondContact O-N 2.85Å; L485-L489 HydrophobicContact CG-CD1 4.41Å; L485-L489 WeakPolarHBondContact O-CG 3.39Å; L485-L489 PolarHBondContact O-N 2.86Å; L485-L495 HydrophobicContact CD1-CD1 3.37Å; L485-L495 HydrophobicContact CD1-CD2 3.51Å; L485-L495 HydrophobicContact CD1-CG 4.09Å; L485-M501 HydrophobicContact CD1-SD 4.19Å
486	G	84.9	Confident	87.4	Confident	40 Å²	40	69 Å²	69	41%	0.412	37%	0.37	S	S	.	.	H	α-helix	trans	-59.1	-39.5	177.4	0	0	0	0	0	113.2	L482 S490	L482-G486 PolarHBondContact O-N 2.8Å; L482-G486 VanDerWaalsContact O-N 3.13Å; G486-S490 PolarHBondContact O-N 2.76Å; G486-S490 PolarHBondContact O-OG 3.02Å
487	R	85.9	Confident	87.3	Confident	173 Å²	173	67.7 Å²	67.7	65%	0.653	37%	0.369	S	S	*	.	H	α-helix	trans	-65.8	-44.8	174.7	-72.7	-174.6	-69	165.5	0.2	111.9	L483 A484 L485 L489 S490 S491	L483-R487 PolarHBondContact O-N 3.08Å; A484-R487 PolarHBondContact O-N 3.46Å; L485-R487 VanDerWaalsContact C-N 3.3Å; L485-R487 PolarHBondContact O-N 3.15Å; R487-L489 PolarHBondContact O-N 3.33Å; R487-S490 PolarHBondContact O-N 3.03Å; R487-S490 PolarHBondContact O-OG 3.19Å; R487-S491 PolarHBondContact O-N 3.05Å
488	A	86.9	Confident	87.3	Confident	27 Å²	27	71 Å²	71	22%	0.223	39%	0.389	C	S	.	.	H	α-helix	trans	-58.8	-47.7	178.8	0	0	0	0	0	111.5	A484 L485 S490 S491 L495	A484-A488 PolarHBondContact O-N 2.78Å; L485-A488 PolarHBondContact O-N 2.85Å; A488-S490 VanDerWaalsContact C-N 3.33Å; A488-S490 PolarHBondContact O-N 2.87Å; A488-S491 PolarHBondContact O-N 3.5Å; A488-S491 VanDerWaalsContact O-N 3.11Å; A488-S491 PolarHBondContact O-OG 2.92Å; A488-L495 HydrophobicContact CB-CD2 3.71Å
489	L	86	Confident	87.3	Confident	26 Å²	26	73.7 Å²	73.7	14%	0.136	41%	0.41	C	S	.	.	H	α-helix	trans	-58	-42.2	176.7	-69.1	176.3	0	0	0	112.7	A455 V456 M457 L485 R487 S491 L495	A455-L489 HydrophobicContact CB-CB 4.18Å; V456-L489 PolarHBondContact N-O 2.85Å; V456-L489 WeakPolarHBondContact O-CD2 3.24Å; M457-L489 HydrophobicContact CB-CD2 3.87Å; M457-L489 HydrophobicContact CE-CD1 4.24Å; M457-L489 HydrophobicContact CE-CD2 3.87Å; M457-L489 HydrophobicContact CG-CD2 3.98Å; L485-L489 HydrophobicContact CG-CD1 4.41Å; L485-L489 WeakPolarHBondContact O-CG 3.39Å; L485-L489 PolarHBondContact O-N 2.86Å; R487-L489 PolarHBondContact O-N 3.33Å; L489-S491 VanDerWaalsContact C-N 3.32Å; L489-S491 PolarHBondContact O-N 3.12Å; L489-L495 HydrophobicContact CD2-CD1 4.11Å; L489-L495 HydrophobicContact CD2-CD2 4.17Å; L489-L495 HydrophobicContact CD2-CG 4.1Å; L489-L495 HydrophobicContact CG-CD2 4.4Å
490	S	82.2	Confident	87.6	Confident	92 Å²	92	68 Å²	68	64%	0.643	39%	0.389	S	S	*	.	H	α-helix	trans	-72.2	-23.4	178.9	73.1	0	0	0	0	114.1	G486 R487 A488 G492	G486-S490 PolarHBondContact O-N 2.76Å; G486-S490 PolarHBondContact O-OG 3.02Å; R487-S490 PolarHBondContact O-N 3.03Å; R487-S490 PolarHBondContact O-OG 3.19Å; A488-S490 VanDerWaalsContact C-N 3.33Å; A488-S490 PolarHBondContact O-N 2.87Å; S490-G492 VanDerWaalsContact C-N 3.34Å
491	S	84.8	Confident	87.8	Confident	66 Å²	66	60.7 Å²	60.7	46%	0.462	36%	0.358	S	S	.	.	H	α-helix	trans	-77.6	-20.6	-178	76.7	0	0	0	0	113.2	R487 A488 L489 Q493	R487-S491 PolarHBondContact O-N 3.05Å; A488-S491 PolarHBondContact O-N 3.5Å; A488-S491 VanDerWaalsContact O-N 3.11Å; A488-S491 PolarHBondContact O-OG 2.92Å; L489-S491 VanDerWaalsContact C-N 3.32Å; L489-S491 PolarHBondContact O-N 3.12Å; S491-Q493 VanDerWaalsContact C-N 3.28Å; S491-Q493 WeakPolarHBondContact OG-CB 3.23Å; S491-Q493 WeakPolarHBondContact OG-CG 3.35Å; S491-Q493 PolarHBondContact OG-N 2.89Å
492	G	80.6	Confident	88.1	Confident	26 Å²	26	60.9 Å²	60.9	27%	0.268	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	6.1	-173.5	0	0	0	0	0	114.6	S490 G494	S490-G492 VanDerWaalsContact C-N 3.34Å; G492-G494 VanDerWaalsContact C-N 3.26Å; G492-G494 PolarHBondContact O-N 2.97Å
493	Q	82.5	Confident	88.4	Confident	129 Å²	129	61.9 Å²	61.9	60%	0.603	36%	0.364	S	S	*	.			trans	-76.1	-13.8	179.2	-67	-176.5	-3.9	0	0	113.6	S491	S491-Q493 VanDerWaalsContact C-N 3.28Å; S491-Q493 WeakPolarHBondContact OG-CB 3.23Å; S491-Q493 WeakPolarHBondContact OG-CG 3.35Å; S491-Q493 PolarHBondContact OG-N 2.89Å
494	G	87.4	Confident	88.8	Confident	10 Å²	10	59.2 Å²	59.2	10%	0.103	35%	0.351	C	S	.	.			trans	75.1	-176.1	-170.8	0	0	0	0	0	113.4	M457 P459 G492	M457-G494 CarbonylContact O-C 3.54Å; M457-G494 WeakPolarHBondContact O-CA 3.48Å; P459-G494 VanDerWaalsContact CD-CA 3.43Å; G492-G494 VanDerWaalsContact C-N 3.26Å; G492-G494 PolarHBondContact O-N 2.97Å
495	L	90.7	Very high	89.2	Confident	19 Å²	19	61.6 Å²	61.6	10%	0.099	35%	0.354	C	S	.	.			trans	-110.3	150.7	180	-57.9	-174.8	0	0	0	111.4	M457 Y458 L471 L485 A488 L489 M501 I503	M457-L495 HydrophobicContact CE-CD1 4.07Å; M457-L495 HydrophobicContact CG-CD1 3.58Å; M457-L495 HydrophobicContact CG-CG 4.05Å; M457-L495 PolarHBondContact O-N 3.48Å; M457-L495 HydrophobicContact SD-CD1 4.24Å; Y458-L495 HydrophobicContact CE1-CB 4.13Å; L471-L495 HydrophobicContact CD1-CD1 3.7Å; L485-L495 HydrophobicContact CD1-CD1 3.37Å; L485-L495 HydrophobicContact CD1-CD2 3.51Å; L485-L495 HydrophobicContact CD1-CG 4.09Å; A488-L495 HydrophobicContact CB-CD2 3.71Å; L489-L495 HydrophobicContact CD2-CD1 4.11Å; L489-L495 HydrophobicContact CD2-CD2 4.17Å; L489-L495 HydrophobicContact CD2-CG 4.1Å; L489-L495 HydrophobicContact CG-CD2 4.4Å; L495-M501 HydrophobicContact CB-CE 4.1Å; L495-M501 HydrophobicContact CD1-CE 4.43Å; L495-M501 HydrophobicContact CD1-SD 4.2Å; L495-I503 HydrophobicContact CB-CD1 3.89Å
496	Q	89.7	Confident	89.7	Confident	164 Å²	164	60.2 Å²	60.2	77%	0.766	35%	0.347	S	S	*	.			trans	-131.2	151.2	173.6	-65.1	-176.1	-14.1	0	0	109.1	M501 I503	Q496-M501 WeakPolarHBondContact O-CE 3.08Å; Q496-I503 VanDerWaalsContact C-CD1 3.44Å
497	S	92	Very high	90.1	Very high	68 Å²	68	58.4 Å²	58.4	48%	0.476	33%	0.328	S	S	.	.			trans	-57.2	142.3	177	-57.2	0	0	0	0	111	M501 I503	S497-M501 CarbonylContact C-O 3.53Å; S497-M501 VanDerWaalsContact CA-O 3.31Å; S497-M501 WeakPolarHBondContact CA-O 3.43Å; S497-I503 WeakPolarHBondContact OG-CB 3.45Å; S497-I503 PolarHBondContact OG-N 3.4Å
498	T	91.6	Very high	90.5	Very high	70 Å²	70	50.2 Å²	50.2	43%	0.429	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-136.3	177.9	178.7	60.4	0	0	0	0	109.3	N500 M501	T498-N500 PolarHBondContact O-N 3.11Å; T498-N500 PolarHBondContact OG1-OD1 3.3Å; T498-N500 VanDerWaalsContact OG1-OD1 3.11Å; T498-M501 PolarHBondContact N-O 2.92Å; T498-M501 PolarHBondContact O-N 3.04Å; T498-M501 WeakPolarHBondContact OG1-CB 3.43Å; T498-M501 PolarHBondContact OG1-N 2.93Å
499	S	91.4	Very high	90.9	Very high	115 Å²	115	48.9 Å²	48.9	80%	0.804	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.1	179.1	49.9	0	0	0	0	115.3
500	N	93.1	Very high	91.4	Very high	11 Å²	11	47.9 Å²	47.9	6%	0.059	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	4.6	-177.3	63.8	-63.6	0	0	0	112.8	H474 N476 T477 D481 T498	H474-N500 PolarHBondContact CD2-O 3.46Å; H474-N500 PolarHBondContact N-O 3.12Å; N476-N500 VanDerWaalsContact OD1-CB 3.32Å; N476-N500 WeakPolarHBondContact OD1-CB 3.49Å; T477-N500 PolarHBondContact OG1-ND2 3.08Å; T477-N500 VanDerWaalsContact OG1-ND2 3.1Å; T477-N500 PolarHBondContact OG1-O 3.03Å; D481-N500 WeakPolarHBondContact CB-ND2 3.43Å; T498-N500 PolarHBondContact O-N 3.11Å; T498-N500 PolarHBondContact OG1-OD1 3.3Å; T498-N500 VanDerWaalsContact OG1-OD1 3.11Å
501	M	94.4	Very high	92	Very high	11 Å²	11	43.5 Å²	43.5	5%	0.054	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	120	177.7	-178.6	177.4	65.9	0	0	110.6	L471 I472 L473 L485 L495 Q496 S497 T498 I503	L471-M501 HydrophobicContact CD1-SD 4.01Å; L471-M501 HydrophobicContact CD2-CG 4.24Å; L471-M501 HydrophobicContact CD2-SD 4.25Å; L471-M501 HydrophobicContact CG-CG 4.2Å; L471-M501 HydrophobicContact CG-SD 4.1Å; I472-M501 VanDerWaalsContact O-CA 3.27Å; I472-M501 WeakPolarHBondContact O-CA 3.41Å; L473-M501 HydrophobicContact CD2-CB 3.83Å; L473-M501 HydrophobicContact CD2-CG 3.67Å; L473-M501 HydrophobicContact CD2-SD 3.76Å; L485-M501 HydrophobicContact CD1-SD 4.19Å; L495-M501 HydrophobicContact CB-CE 4.1Å; L495-M501 HydrophobicContact CD1-CE 4.43Å; L495-M501 HydrophobicContact CD1-SD 4.2Å; Q496-M501 WeakPolarHBondContact O-CE 3.08Å; S497-M501 CarbonylContact C-O 3.53Å; S497-M501 VanDerWaalsContact CA-O 3.31Å; S497-M501 WeakPolarHBondContact CA-O 3.43Å; T498-M501 PolarHBondContact N-O 2.92Å; T498-M501 PolarHBondContact O-N 3.04Å; T498-M501 WeakPolarHBondContact OG1-CB 3.43Å; T498-M501 PolarHBondContact OG1-N 2.93Å; M501-I503 HydrophobicContact CE-CD1 3.94Å; M501-I503 HydrophobicContact CG-CG1 4.44Å
502	D	95.7	Very high	92.4	Very high	57 Å²	57	42.3 Å²	42.3	31%	0.305	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	143	172.3	-67.1	-40.9	0	0	0	110.8	L471 I472 H474 V504	L471-D502 WeakPolarHBondContact CA-O 3.31Å; I472-D502 HydrophobicContact CB-CB 4.31Å; I472-D502 HydrophobicContact CD1-CB 4.43Å; I472-D502 PolarHBondContact N-O 3.47Å; I472-D502 PolarHBondContact O-N 3.32Å; H474-D502 IonicContact CD2-OD2 3.71Å; H474-D502 IonicContact CE1-OD2 3.04Å; H474-D502 PolarHBondContact CE1-OD2 3.21Å; H474-D502 IonicContact NE2-OD2 2.82Å; H474-D502 PolarHBondContact NE2-OD2 2.92Å; D502-V504 HydrophobicContact CB-CG2 4.45Å
503	I	95.3	Very high	93.1	Very high	34 Å²	34	41.4 Å²	41.4	17%	0.174	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	116.4	175.4	-53	178.1	0	0	0	106.8	Y458 L470 L495 Q496 S497 M501	Y458-I503 HydrophobicContact CD1-CG2 4.32Å; Y458-I503 HydrophobicContact CE1-CB 4.27Å; Y458-I503 HydrophobicContact CE1-CD1 3.41Å; Y458-I503 VanDerWaalsContact CE1-CD1 3.41Å; Y458-I503 HydrophobicContact CE1-CG1 4.07Å; Y458-I503 HydrophobicContact CE1-CG2 3.37Å; Y458-I503 HydrophobicContact CE2-CG2 4.45Å; Y458-I503 VanDerWaalsContact CZ-CG2 3.44Å; Y458-I503 WeakPolarHBondContact OH-CD1 3.46Å; Y458-I503 WeakPolarHBondContact OH-CG1 3.33Å; Y458-I503 WeakPolarHBondContact OH-CG2 3.23Å; L470-I503 CarbonylContact O-C 3.59Å; L470-I503 WeakPolarHBondContact O-CA 3.27Å; L495-I503 HydrophobicContact CB-CD1 3.89Å; Q496-I503 VanDerWaalsContact C-CD1 3.44Å; S497-I503 WeakPolarHBondContact OG-CB 3.45Å; S497-I503 PolarHBondContact OG-N 3.4Å; M501-I503 HydrophobicContact CE-CD1 3.94Å; M501-I503 HydrophobicContact CG-CG1 4.44Å
504	V	95.7	Very high	93.5	Very high	34 Å²	34	41.5 Å²	41.5	21%	0.206	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.1	-173.6	-170.3	0	0	0	0	110.1	Y363 L470 D502 V506	Y363-V504 HydrophobicContact CD2-CG1 4.49Å; Y363-V504 HydrophobicContact CE2-CB 4.36Å; Y363-V504 HydrophobicContact CE2-CG1 3.9Å; Y363-V504 HydrophobicContact CE2-CG2 4.47Å; L470-V504 WeakPolarHBondContact CB-O 3.45Å; L470-V504 PolarHBondContact N-O 2.93Å; L470-V504 PolarHBondContact O-N 2.96Å; D502-V504 HydrophobicContact CB-CG2 4.45Å; V504-V506 HydrophobicContact CB-CG1 4.34Å; V504-V506 HydrophobicContact CG1-CG1 4.13Å
505	K	96.1	Very high	93.2	Very high	92 Å²	92	43.4 Å²	43.4	40%	0.4	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	126	170.4	-62.7	179.6	178.2	-166	0	109.3	P365 F366 Y467 L468	P365-K505 WeakPolarHBondContact CA-O 3.4Å; F366-K505 HydrophobicContact CB-CB 3.98Å; F366-K505 PolarHBondContact N-O 3.11Å; Y467-K505 HydrophobicContact CD1-CD 4.25Å; Y467-K505 HydrophobicContact CD2-CB 3.8Å; Y467-K505 HydrophobicContact CD2-CD 3.89Å; Y467-K505 HydrophobicContact CD2-CG 3.72Å; Y467-K505 HydrophobicContact CE1-CD 3.91Å; Y467-K505 HydrophobicContact CE2-CB 4.3Å; Y467-K505 HydrophobicContact CE2-CD 3.55Å; Y467-K505 HydrophobicContact CE2-CG 3.71Å; Y467-K505 HydrophobicContact CG-CB 4.02Å; Y467-K505 HydrophobicContact CG-CD 4.26Å; Y467-K505 HydrophobicContact CG-CG 4.32Å; Y467-K505 PolarHBondContact OH-NZ 2.93Å; L468-K505 CarbonylContact O-C 3.57Å; L468-K505 WeakPolarHBondContact O-CA 3.48Å
506	V	96.1	Very high	91.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.5	-173.4	-58.8	0	0	0	0	112.1	Y363 L364 L468 L470 V504 L509	Y363-V506 HydrophobicContact CD2-CG1 3.59Å; Y363-V506 HydrophobicContact CE2-CG1 4.39Å; Y363-V506 HydrophobicContact CG-CG1 4.11Å; L364-V506 CarbonylContact O-C 3.59Å; L364-V506 VanDerWaalsContact O-CA 3.26Å; L364-V506 WeakPolarHBondContact O-CA 3.18Å; L468-V506 HydrophobicContact CB-CG2 4.18Å; L468-V506 PolarHBondContact N-O 3.04Å; L468-V506 PolarHBondContact O-N 3.3Å; L470-V506 HydrophobicContact CB-CG1 3.81Å; L470-V506 HydrophobicContact CB-CG2 3.86Å; L470-V506 HydrophobicContact CD2-CG1 3.88Å; V504-V506 HydrophobicContact CB-CG1 4.34Å; V504-V506 HydrophobicContact CG1-CG1 4.13Å; V506-L509 HydrophobicContact CG2-CD2 4.26Å
507	C	93.6	Very high	90.6	Very high	3 Å²	3	48 Å²	48	2%	0.02	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-35.7	170.6	-60.1	0	0	0	0	111.8	L364 F418 E536 V537	L364-C507 HydrophobicContact CD2-CB 4.32Å; L364-C507 HydrophobicContact CG-CB 4.44Å; L364-C507 PolarHBondContact O-N 3.48Å; F418-C507 HydrophobicContact CD1-CB 4.48Å; F418-C507 HydrophobicContact CD2-CB 4.15Å; F418-C507 HydrophobicContact CE1-CB 4.47Å; F418-C507 HydrophobicContact CE2-CB 4.13Å; F418-C507 HydrophobicContact CG-CB 4.33Å; F418-C507 HydrophobicContact CZ-CB 4.3Å; C507-E536 CarbonylContact O-C 3.5Å; C507-E536 VanDerWaalsContact O-CA 3.29Å; C507-E536 WeakPolarHBondContact O-CA 3.49Å; C507-V537 HydrophobicContact CB-CG1 4.35Å; C507-V537 WeakPolarHBondContact O-CG1 3.27Å; C507-V537 PolarHBondContact O-N 3.36Å
508	A	94.6	Very high	89.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	156.4	-176	0	0	0	0	0	111.2	Y363 L364 F418 L419 W433 A535 E536	Y363-A508 CarbonylContact C-O 3.48Å; Y363-A508 WeakPolarHBondContact CA-O 3.38Å; L364-A508 HydrophobicContact CB-CB 4.48Å; L364-A508 PolarHBondContact N-O 2.72Å; F418-A508 HydrophobicContact CB-CB 3.66Å; F418-A508 HydrophobicContact CG-CB 4.43Å; L419-A508 HydrophobicContact CD2-CB 4.03Å; L419-A508 HydrophobicContact CG-CB 4.15Å; W433-A508 HydrophobicContact CH2-CB 3.67Å; W433-A508 HydrophobicContact CZ2-CB 4.24Å; A508-A535 CarbonylContact C-O 3.56Å; A508-A535 VanDerWaalsContact CA-O 3.23Å; A508-A535 WeakPolarHBondContact CA-O 3.37Å; A508-E536 HydrophobicContact CB-CB 3.86Å
509	L	96.4	Very high	89.6	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	160.2	176	65.8	132.5	0	0	0	112.1	L361 S362 V445 V506 I511 F533 Q534 A535	L361-L509 HydrophobicContact CD1-CD1 4.45Å; S362-L509 CarbonylContact O-C 3.56Å; S362-L509 WeakPolarHBondContact O-CA 3.28Å; V445-L509 HydrophobicContact CG1-CD2 4.11Å; V445-L509 HydrophobicContact CG2-CD1 3.78Å; V445-L509 HydrophobicContact CG2-CD2 3.64Å; V445-L509 HydrophobicContact CG2-CG 4.38Å; V506-L509 HydrophobicContact CG2-CD2 4.26Å; L509-I511 HydrophobicContact CD1-CD1 4.14Å; L509-I511 HydrophobicContact CD1-CG1 3.93Å; L509-F533 HydrophobicContact CD1-CE2 4.44Å; L509-Q534 CarbonylContact O-C 3.5Å; L509-Q534 VanDerWaalsContact O-CA 3.27Å; L509-Q534 WeakPolarHBondContact O-CA 3.45Å; L509-Q534 WeakPolarHBondContact O-CB 3.39Å; L509-A535 HydrophobicContact CD2-CB 4.34Å; L509-A535 HydrophobicContact CG-CB 4.41Å; L509-A535 PolarHBondContact N-O 3.44Å; L509-A535 PolarHBondContact O-N 3.17Å
510	R	95	Very high	89.7	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	134	169.4	-175.2	-179.7	-68.6	179.2	-0.5	109.3	S362 P420 E421 T422 Q424 I426 E512 T532 F533 Q534	S362-R510 PolarHBondContact N-O 2.83Å; S362-R510 PolarHBondContact O-N 3.45Å; P420-R510 PolarHBondContact O-NH2 3.3Å; E421-R510 PolarHBondContact O-NH2 2.87Å; T422-R510 PolarHBondContact O-NH1 3.06Å; Q424-R510 PolarHBondContact O-NH1 3.49Å; I426-R510 HydrophobicContact CD1-CB 3.75Å; I426-R510 HydrophobicContact CD1-CG 4.46Å; R510-E512 HydrophobicContact CG-CG 4.16Å; R510-T532 HydrophobicContact CG-CG2 4.4Å; R510-F533 WeakPolarHBondContact CA-O 3.24Å; R510-F533 WeakPolarHBondContact CG-O 3.4Å; R510-Q534 HydrophobicContact CB-CB 4.19Å; R510-Q534 HydrophobicContact CG-CB 4.2Å; R510-Q534 VanDerWaalsContact NE-OE1 3.11Å
511	I	95.4	Very high	89.8	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.2	174.2	-51.7	-165	0	0	0	108.5	W322 A359 L361 I443 L509 P513 T532 F533	W322-I511 HydrophobicContact CB-CD1 4.33Å; W322-I511 HydrophobicContact CD2-CG2 4.33Å; W322-I511 HydrophobicContact CG-CD1 4.29Å; W322-I511 HydrophobicContact CZ2-CG2 4.3Å; A359-I511 HydrophobicContact CB-CG2 4Å; L361-I511 HydrophobicContact CD1-CD1 4.41Å; L361-I511 HydrophobicContact CD1-CG1 3.99Å; I443-I511 HydrophobicContact CB-CD1 3.98Å; I443-I511 HydrophobicContact CD1-CD1 3.87Å; I443-I511 HydrophobicContact CD1-CG2 4.43Å; I443-I511 HydrophobicContact CG2-CD1 3.65Å; L509-I511 HydrophobicContact CD1-CD1 4.14Å; L509-I511 HydrophobicContact CD1-CG1 3.93Å; I511-P513 WeakPolarHBondContact O-CD 3.41Å; I511-T532 VanDerWaalsContact O-CA 3.24Å; I511-T532 WeakPolarHBondContact O-CA 3.42Å; I511-F533 HydrophobicContact CB-CD1 4.27Å; I511-F533 HydrophobicContact CB-CE1 3.77Å; I511-F533 HydrophobicContact CB-CE2 4.38Å; I511-F533 HydrophobicContact CB-CZ 3.87Å; I511-F533 HydrophobicContact CD1-CE1 4Å; I511-F533 HydrophobicContact CD1-CE2 4.09Å; I511-F533 HydrophobicContact CD1-CZ 3.39Å; I511-F533 HydrophobicContact CG1-CE1 4.1Å; I511-F533 HydrophobicContact CG1-CE2 4.01Å; I511-F533 HydrophobicContact CG1-CZ 3.65Å; I511-F533 HydrophobicContact CG2-CE1 4.33Å; I511-F533 PolarHBondContact N-O 3.36Å; I511-F533 PolarHBondContact O-N 2.95Å; I511-F533 VanDerWaalsContact O-N 3.12Å
512	E	94.1	Very high	89.9	Confident	40 Å²	40	39.5 Å²	39.5	19%	0.187	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	90.9	178.2	-57	171	90.4	0	0	108.5	A359 K360 R510 T532	A359-E512 CarbonylContact C-O 3.43Å; A359-E512 VanDerWaalsContact CA-O 3.28Å; A359-E512 WeakPolarHBondContact CA-O 3.26Å; K360-E512 HydrophobicContact CB-CB 4.17Å; K360-E512 WeakPolarHBondContact CD-OE2 3.39Å; K360-E512 WeakPolarHBondContact CE-OE2 3.31Å; K360-E512 WeakPolarHBondContact CG-OE2 3.49Å; K360-E512 PolarHBondContact N-O 2.85Å; K360-E512 IonicContact NZ-OE1 3.37Å; K360-E512 IonicContact NZ-OE2 3.78Å; K360-E512 PolarHBondContact NZ-OE2 3.32Å; K360-E512 PolarHBondContact O-N 3.27Å; R510-E512 HydrophobicContact CG-CG 4.16Å; E512-T532 HydrophobicContact CB-CG2 4.44Å; E512-T532 HydrophobicContact CG-CG2 3.82Å
513	P	94.6	Very high	89.9	Confident	7 Å²	7	36.8 Å²	36.8	5%	0.045	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	136.7	178.8	28.8	-33	0	0	0	111	W322 I511 S515 G531	W322-P513 HydrophobicContact CZ2-CB 4.12Å; I511-P513 WeakPolarHBondContact O-CD 3.41Å; P513-S515 VanDerWaalsContact C-N 3.28Å; P513-S515 PolarHBondContact O-N 3.42Å; P513-G531 WeakPolarHBondContact CD-O 3.48Å; P513-G531 WeakPolarHBondContact CG-O 3.4Å
514	Y	91.5	Very high	89.9	Confident	131 Å²	131	35.5 Å²	35.5	51%	0.514	18%	0.183	S	C	.	.	S	Bend	trans	-73.1	-23.7	174.9	-82.1	-97.9	0	0	0	112.6	R358 K360 D437	R358-Y514 HydrophobicContact CB-CD2 4.46Å; R358-Y514 HydrophobicContact CG-CD2 3.78Å; R358-Y514 HydrophobicContact CG-CE2 4.35Å; R358-Y514 HydrophobicContact CG-CG 4.23Å; R358-Y514 PolarHBondContact O-N 2.94Å; K360-Y514 HydrophobicContact CB-CE2 4.41Å; D437-Y514 WeakPolarHBondContact OD1-CE2 3.45Å; D437-Y514 PolarHBondContact OD2-OH 3.45Å; D437-Y514 VanDerWaalsContact OD2-OH 3.1Å
515	S	81.1	Confident	89.8	Confident	50 Å²	50	35.2 Å²	35.2	35%	0.35	19%	0.187	S	C	.	.	S	Bend	trans	-111.6	81.5	178.1	56.1	0	0	0	0	109.7	P513 D517 S518	P513-S515 VanDerWaalsContact C-N 3.28Å; P513-S515 PolarHBondContact O-N 3.42Å; S515-D517 VanDerWaalsContact C-N 3.31Å; S515-D517 PolarHBondContact O-N 3.12Å; S515-S518 VanDerWaalsContact CB-OG 3.23Å; S515-S518 WeakPolarHBondContact CB-OG 3.38Å; S515-S518 PolarHBondContact O-N 2.87Å; S515-S518 PolarHBondContact O-OG 3.4Å; S515-S518 VanDerWaalsContact O-OG 3.1Å; S515-S518 PolarHBondContact OG-OG 3.31Å; S515-S518 VanDerWaalsContact OG-OG 3.09Å
516	Q	62.5	Low	89.7	Confident	121 Å²	121	34.7 Å²	34.7	57%	0.565	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-40	-168.3	-66.1	179.9	-4.2	0	0	113.6	S518	Q516-S518 PolarHBondContact O-N 3.36Å
517	D	62.1	Low	89.6	Confident	160 Å²	160	39.3 Å²	39.3	86%	0.856	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	11.9	-170.8	-59.1	-36.6	0	0	0	115.5	S515	S515-D517 VanDerWaalsContact C-N 3.31Å; S515-D517 PolarHBondContact O-N 3.12Å
518	S	74.2	Confident	89.6	Confident	72 Å²	72	39.4 Å²	39.4	50%	0.503	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.4	-7.2	-164	63.5	0	0	0	0	117.2	S515 Q516	S515-S518 VanDerWaalsContact CB-OG 3.23Å; S515-S518 WeakPolarHBondContact CB-OG 3.38Å; S515-S518 PolarHBondContact O-N 2.87Å; S515-S518 PolarHBondContact O-OG 3.4Å; S515-S518 VanDerWaalsContact O-OG 3.1Å; S515-S518 PolarHBondContact OG-OG 3.31Å; S515-S518 VanDerWaalsContact OG-OG 3.09Å; Q516-S518 PolarHBondContact O-N 3.36Å
519	V	87.9	Confident	89.5	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.012	23%	0.228	C	C	.	.			trans	-111	115.6	-177	-163.4	0	0	0	0	109.7	W322 Y357 T521 S530	W322-V519 HydrophobicContact CD2-CG1 4.05Å; W322-V519 HydrophobicContact CG-CG1 4.42Å; W322-V519 HydrophobicContact CH2-CG1 4.46Å; W322-V519 HydrophobicContact CZ2-CB 4.2Å; W322-V519 HydrophobicContact CZ2-CG1 3.75Å; W322-V519 HydrophobicContact CZ2-CG2 4.18Å; Y357-V519 HydrophobicContact CD1-CB 4.16Å; Y357-V519 HydrophobicContact CD1-CG1 3.55Å; Y357-V519 HydrophobicContact CD1-CG2 3.65Å; Y357-V519 HydrophobicContact CE1-CG1 3.93Å; Y357-V519 HydrophobicContact CE1-CG2 4.41Å; Y357-V519 HydrophobicContact CG-CG1 3.97Å; Y357-V519 HydrophobicContact CG-CG2 4.38Å; V519-T521 PolarHBondContact O-N 3.1Å; V519-S530 PolarHBondContact O-OG 2.75Å
520	T	93.5	Very high	89.2	Confident	17 Å²	17	45 Å²	45	10%	0.104	25%	0.248	C	C	.	.			trans	-61.2	132	176	-59.5	0	0	0	0	110.2	G323 A326 D327 Y330 M522 L527	G323-T520 PolarHBondContact N-O 3.33Å; A326-T520 HydrophobicContact CB-CG2 3.94Å; A326-T520 WeakPolarHBondContact CB-O 2.95Å; D327-T520 WeakPolarHBondContact OD1-CB 3.4Å; D327-T520 PolarHBondContact OD1-OG1 2.78Å; Y330-T520 HydrophobicContact CD1-CG2 4.4Å; Y330-T520 HydrophobicContact CG-CG2 4.15Å; T520-M522 HydrophobicContact CG2-CG 3.95Å; T520-M522 HydrophobicContact CG2-SD 4.2Å; T520-L527 HydrophobicContact CG2-CD1 3.86Å
521	T	95.7	Very high	89	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.3	172.4	-52.2	0	0	0	0	108.1	F305 I320 E321 V519 V528 F533	F305-T521 HydrophobicContact CE2-CG2 4.1Å; F305-T521 HydrophobicContact CZ-CG2 4.09Å; I320-T521 HydrophobicContact CG2-CG2 4.42Å; E321-T521 WeakPolarHBondContact O-CA 3.08Å; V519-T521 PolarHBondContact O-N 3.1Å; T521-V528 HydrophobicContact CG2-CG2 3.55Å; T521-V528 WeakPolarHBondContact O-CG2 3.33Å; T521-V528 PolarHBondContact O-N 3.41Å; T521-F533 HydrophobicContact CG2-CD1 3.95Å; T521-F533 HydrophobicContact CG2-CE1 3.57Å; T521-F533 HydrophobicContact CG2-CZ 3.99Å
522	M	96.4	Very high	88.9	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.025	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.4	178.7	-56.6	-179	66.5	0	0	110.4	I320 E321 A326 D329 Y330 T520 G525 E526	I320-M522 CarbonylContact C-O 3.58Å; I320-M522 VanDerWaalsContact CA-O 3.32Å; I320-M522 WeakPolarHBondContact CA-O 3.23Å; E321-M522 HydrophobicContact CB-CB 4.2Å; E321-M522 HydrophobicContact CG-CB 4.48Å; E321-M522 PolarHBondContact N-O 2.78Å; E321-M522 PolarHBondContact O-N 2.78Å; A326-M522 HydrophobicContact CB-CG 4.15Å; A326-M522 HydrophobicContact CB-SD 4.34Å; A326-M522 VanDerWaalsContact O-SD 3.35Å; D329-M522 HydrophobicContact CB-CE 4.08Å; D329-M522 HydrophobicContact CB-SD 3.78Å; D329-M522 WeakPolarHBondContact OD2-CE 3.49Å; Y330-M522 PolarHBondContact N-SD 3.22Å; T520-M522 HydrophobicContact CG2-CG 3.95Å; T520-M522 HydrophobicContact CG2-SD 4.2Å; M522-G525 VanDerWaalsContact CE-C 3.43Å; M522-G525 WeakPolarHBondContact CE-O 3.41Å; M522-E526 CarbonylContact C-O 3.54Å; M522-E526 VanDerWaalsContact CA-O 3.25Å; M522-E526 WeakPolarHBondContact CA-O 3.38Å
523	L	97	Very high	88.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	119.7	173.1	176.6	67.4	0	0	0	107.6	Y207 I303 F305 R314 S319 I320 G525 E526 V528	Y207-L523 HydrophobicContact CE2-CD2 3.92Å; Y207-L523 HydrophobicContact CE2-CG 4.17Å; I303-L523 HydrophobicContact CB-CD1 4.44Å; I303-L523 HydrophobicContact CG2-CD1 4.11Å; F305-L523 HydrophobicContact CB-CD1 4.36Å; F305-L523 HydrophobicContact CB-CD2 3.77Å; F305-L523 HydrophobicContact CG-CD2 4.16Å; R314-L523 HydrophobicContact CB-CD2 3.6Å; S319-L523 WeakPolarHBondContact O-CA 3.09Å; I320-L523 HydrophobicContact CG1-CD1 3.71Å; L523-G525 PolarHBondContact O-N 2.75Å; L523-G525 VanDerWaalsContact O-N 3.09Å; L523-E526 PolarHBondContact N-O 3.29Å; L523-E526 WeakPolarHBondContact O-CB 3.23Å; L523-E526 PolarHBondContact O-N 3.23Å; L523-V528 HydrophobicContact CB-CG1 3.77Å
524	D	95.3	Very high	88.9	Confident	7 Å²	7	44.4 Å²	44.4	4%	0.037	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	31.4	-176.3	-70.9	10.2	0	0	0	114	Y207 G316 I317 Q318 S319 E526	Y207-D524 HydrophobicContact CD2-CB 3.98Å; G316-D524 WeakPolarHBondContact CA-OD2 3.49Å; I317-D524 PolarHBondContact N-OD1 3.22Å; I317-D524 PolarHBondContact N-OD2 2.89Å; Q318-D524 VanDerWaalsContact CA-OD1 3.31Å; Q318-D524 WeakPolarHBondContact CA-OD1 3.4Å; Q318-D524 HydrophobicContact CB-CB 4.37Å; Q318-D524 VanDerWaalsContact CB-OD1 3.26Å; Q318-D524 WeakPolarHBondContact CB-OD1 3.36Å; Q318-D524 PolarHBondContact N-OD1 3Å; Q318-D524 PolarHBondContact N-OD2 2.74Å; S319-D524 PolarHBondContact N-OD1 2.9Å; S319-D524 PolarHBondContact O-N 2.98Å; D524-E526 VanDerWaalsContact C-N 3.31Å
525	G	92.7	Very high	89.1	Confident	27 Å²	27	38.2 Å²	38.2	28%	0.278	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	-1	-177.2	0	0	0	0	0	114.8	M522 L523	M522-G525 VanDerWaalsContact CE-C 3.43Å; M522-G525 WeakPolarHBondContact CE-O 3.41Å; L523-G525 PolarHBondContact O-N 2.75Å; L523-G525 VanDerWaalsContact O-N 3.09Å
526	E	93.6	Very high	89.8	Confident	81 Å²	81	36.3 Å²	36.3	38%	0.379	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	138.9	175.4	-61.9	-59.3	146.7	0	0	110.9	Y207 M522 L523 D524 V528	Y207-E526 HydrophobicContact CD1-CG 3.89Å; Y207-E526 HydrophobicContact CE1-CB 4.38Å; Y207-E526 HydrophobicContact CE1-CG 4.02Å; Y207-E526 HydrophobicContact CG-CG 4.29Å; M522-E526 CarbonylContact C-O 3.54Å; M522-E526 VanDerWaalsContact CA-O 3.25Å; M522-E526 WeakPolarHBondContact CA-O 3.38Å; L523-E526 PolarHBondContact N-O 3.29Å; L523-E526 WeakPolarHBondContact O-CB 3.23Å; L523-E526 PolarHBondContact O-N 3.23Å; D524-E526 VanDerWaalsContact C-N 3.31Å; E526-V528 PolarHBondContact O-N 2.68Å
527	L	94.5	Very high	91.3	Very high	97 Å²	97	30.8 Å²	30.8	51%	0.508	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	125.6	178.9	-175.1	69.7	0	0	0	110.1	Y330 T520	Y330-L527 HydrophobicContact CD2-CD1 4.32Å; Y330-L527 HydrophobicContact CD2-CD2 4.48Å; Y330-L527 HydrophobicContact CE2-CD2 3.97Å; T520-L527 HydrophobicContact CG2-CD1 3.86Å
528	V	94	Very high	92.6	Very high	5 Å²	5	24.9 Å²	24.9	3%	0.03	15%	0.152	C	C	.	.			trans	-114.1	163.1	175.1	-64.3	0	0	0	0	110.4	F305 F312 T521 L523 E526 S530	F305-V528 HydrophobicContact CE1-CB 4.14Å; F305-V528 HydrophobicContact CE1-CG2 3.97Å; F305-V528 HydrophobicContact CE2-CG2 4.21Å; F305-V528 HydrophobicContact CZ-CB 4.29Å; F305-V528 HydrophobicContact CZ-CG2 3.61Å; F312-V528 HydrophobicContact CE1-CB 4.32Å; F312-V528 HydrophobicContact CE1-CG1 4.42Å; F312-V528 HydrophobicContact CZ-CB 4.17Å; F312-V528 HydrophobicContact CZ-CG1 4.15Å; T521-V528 HydrophobicContact CG2-CG2 3.55Å; T521-V528 WeakPolarHBondContact O-CG2 3.33Å; T521-V528 PolarHBondContact O-N 3.41Å; L523-V528 HydrophobicContact CB-CG1 3.77Å; E526-V528 PolarHBondContact O-N 2.68Å; V528-S530 PolarHBondContact O-N 3.08Å
529	P	92	Very high	93.3	Very high	57 Å²	57	23.5 Å²	23.5	37%	0.37	14%	0.141	S	C	.	.			trans	-51	130.4	177.2	-27.8	35.8	0	0	0	111.7	T307 F312	T307-P529 HydrophobicContact CG2-CB 4.32Å; F312-P529 HydrophobicContact CD1-CG 4.28Å; F312-P529 HydrophobicContact CD2-CG 3.87Å; F312-P529 HydrophobicContact CE1-CG 4.13Å; F312-P529 HydrophobicContact CE2-CG 3.7Å; F312-P529 HydrophobicContact CG-CG 4.16Å; F312-P529 HydrophobicContact CZ-CG 3.85Å
530	S	90.7	Very high	93.2	Very high	60 Å²	60	25.2 Å²	25.2	42%	0.42	16%	0.159	S	C	.	.			trans	-74.7	156.1	173.5	-57.2	0	0	0	0	110	V519 V528	V519-S530 PolarHBondContact O-OG 2.75Å; V528-S530 PolarHBondContact O-N 3.08Å
531	G	90.8	Very high	92.7	Very high	8 Å²	8	25.8 Å²	25.8	8%	0.082	16%	0.161	C	C	.	.	S	Bend	trans	117.7	-159.2	-177.1	0	0	0	0	0	112.1	P513	P513-G531 WeakPolarHBondContact CD-O 3.48Å; P513-G531 WeakPolarHBondContact CG-O 3.4Å
532	T	92.6	Very high	92.4	Very high	13 Å²	13	26.2 Å²	26.2	8%	0.08	16%	0.163	C	C	.	.			trans	-72.5	132.7	179.7	-61.6	0	0	0	0	110.8	Y308 T422 R510 I511 E512	Y308-T532 HydrophobicContact CD2-CG2 4.03Å; Y308-T532 HydrophobicContact CE2-CG2 3.41Å; Y308-T532 VanDerWaalsContact CE2-CG2 3.41Å; Y308-T532 WeakPolarHBondContact CE2-OG1 3.45Å; T422-T532 HydrophobicContact CG2-CG2 4.46Å; R510-T532 HydrophobicContact CG-CG2 4.4Å; I511-T532 VanDerWaalsContact O-CA 3.24Å; I511-T532 WeakPolarHBondContact O-CA 3.42Å; E512-T532 HydrophobicContact CB-CG2 4.44Å; E512-T532 HydrophobicContact CG-CG2 3.82Å
533	F	93.8	Very high	92.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	164.8	175.4	70.2	-93.9	0	0	0	110.5	F305 G306 T307 I320 W322 L509 R510 I511 T521	F305-F533 AromaticContact CD2-CD2 3.86Å; F305-F533 HydrophobicContact CD2-CD2 3.86Å; F305-F533 HydrophobicContact CD2-CE2 4.29Å; F305-F533 HydrophobicContact CD2-CG 4.47Å; F305-F533 HydrophobicContact CE1-CB 4.08Å; F305-F533 HydrophobicContact CE2-CB 3.83Å; F305-F533 HydrophobicContact CE2-CD1 4.18Å; F305-F533 AromaticContact CE2-CD2 3.17Å; F305-F533 HydrophobicContact CE2-CD2 3.17Å; F305-F533 AromaticContact CE2-CE2 3.64Å; F305-F533 HydrophobicContact CE2-CE2 3.64Å; F305-F533 AromaticContact CE2-CG 3.47Å; F305-F533 HydrophobicContact CE2-CG 3.47Å; F305-F533 VanDerWaalsContact CE2-CG 3.47Å; F305-F533 HydrophobicContact CE2-CZ 4.26Å; F305-F533 HydrophobicContact CZ-CB 3.44Å; F305-F533 VanDerWaalsContact CZ-CB 3.44Å; F305-F533 HydrophobicContact CZ-CD1 4.14Å; F305-F533 AromaticContact CZ-CD2 3.76Å; F305-F533 HydrophobicContact CZ-CD2 3.76Å; F305-F533 HydrophobicContact CZ-CE2 4.49Å; F305-F533 AromaticContact CZ-CG 3.52Å; F305-F533 HydrophobicContact CZ-CG 3.52Å; G306-F533 CarbonylContact O-C 3.6Å; G306-F533 VanDerWaalsContact O-CA 3.31Å; G306-F533 WeakPolarHBondContact O-CA 3.37Å; G306-F533 WeakPolarHBondContact O-CB 3.43Å; T307-F533 HydrophobicContact CG2-CB 4.38Å; I320-F533 HydrophobicContact CD1-CE2 4.39Å; I320-F533 HydrophobicContact CG2-CE2 3.87Å; I320-F533 HydrophobicContact CG2-CZ 3.81Å; W322-F533 AromaticContact CD1-CE1 3.81Å; W322-F533 HydrophobicContact CG-CE1 4.44Å; L509-F533 HydrophobicContact CD1-CE2 4.44Å; R510-F533 WeakPolarHBondContact CA-O 3.24Å; R510-F533 WeakPolarHBondContact CG-O 3.4Å; I511-F533 HydrophobicContact CB-CD1 4.27Å; I511-F533 HydrophobicContact CB-CE1 3.77Å; I511-F533 HydrophobicContact CB-CE2 4.38Å; I511-F533 HydrophobicContact CB-CZ 3.87Å; I511-F533 HydrophobicContact CD1-CE1 4Å; I511-F533 HydrophobicContact CD1-CE2 4.09Å; I511-F533 HydrophobicContact CD1-CZ 3.39Å; I511-F533 HydrophobicContact CG1-CE1 4.1Å; I511-F533 HydrophobicContact CG1-CE2 4.01Å; I511-F533 HydrophobicContact CG1-CZ 3.65Å; I511-F533 HydrophobicContact CG2-CE1 4.33Å; I511-F533 PolarHBondContact N-O 3.36Å; I511-F533 PolarHBondContact O-N 2.95Å; I511-F533 VanDerWaalsContact O-N 3.12Å; T521-F533 HydrophobicContact CG2-CD1 3.95Å; T521-F533 HydrophobicContact CG2-CE1 3.57Å; T521-F533 HydrophobicContact CG2-CZ 3.99Å
534	Q	94.8	Very high	92	Very high	20 Å²	20	27.6 Å²	27.6	9%	0.093	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	152.6	173.6	57.7	-177.7	23.8	0	0	110.4	G306 L419 P420 T422 L509 R510	G306-Q534 PolarHBondContact N-O 3.11Å; G306-Q534 PolarHBondContact O-N 2.98Å; L419-Q534 HydrophobicContact CD1-CB 3.78Å; L419-Q534 HydrophobicContact CD1-CG 3.76Å; L419-Q534 HydrophobicContact CD2-CB 3.88Å; L419-Q534 HydrophobicContact CD2-CG 4.47Å; L419-Q534 HydrophobicContact CG-CB 4.41Å; P420-Q534 PolarHBondContact O-OE1 3.12Å; T422-Q534 PolarHBondContact OG1-NE2 2.88Å; L509-Q534 CarbonylContact O-C 3.5Å; L509-Q534 VanDerWaalsContact O-CA 3.27Å; L509-Q534 WeakPolarHBondContact O-CA 3.45Å; L509-Q534 WeakPolarHBondContact O-CB 3.39Å; R510-Q534 HydrophobicContact CB-CB 4.19Å; R510-Q534 HydrophobicContact CG-CB 4.2Å; R510-Q534 VanDerWaalsContact NE-OE1 3.11Å
535	A	96.3	Very high	91.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	149.7	177.6	0	0	0	0	0	112	I303 H304 I320 A508 L509	I303-A535 HydrophobicContact CG2-CB 4.04Å; H304-A535 CarbonylContact O-C 3.53Å; H304-A535 WeakPolarHBondContact O-CA 3.45Å; H304-A535 WeakPolarHBondContact O-CB 3.09Å; I320-A535 HydrophobicContact CD1-CB 3.31Å; A508-A535 CarbonylContact C-O 3.56Å; A508-A535 VanDerWaalsContact CA-O 3.23Å; A508-A535 WeakPolarHBondContact CA-O 3.37Å; L509-A535 HydrophobicContact CD2-CB 4.34Å; L509-A535 HydrophobicContact CG-CB 4.41Å; L509-A535 PolarHBondContact N-O 3.44Å; L509-A535 PolarHBondContact O-N 3.17Å
536	E	94.5	Very high	91.9	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.047	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	158.6	176.5	68	-169.3	151.3	0	0	111.4	H304 S417 F418 L419 C507 A508	H304-E536 HydrophobicContact CB-CG 4.03Å; H304-E536 IonicContact CE1-OE1 3.02Å; H304-E536 PolarHBondContact N-O 3.32Å; H304-E536 IonicContact ND1-OE1 2.75Å; H304-E536 PolarHBondContact ND1-OE1 2.84Å; H304-E536 PolarHBondContact O-N 2.62Å; S417-E536 WeakPolarHBondContact CA-OE2 3.5Å; F418-E536 HydrophobicContact CD2-CB 4.49Å; F418-E536 PolarHBondContact N-OE2 2.75Å; L419-E536 HydrophobicContact CD1-CB 3.94Å; L419-E536 HydrophobicContact CD1-CG 4.14Å; L419-E536 HydrophobicContact CG-CB 4.38Å; C507-E536 CarbonylContact O-C 3.5Å; C507-E536 VanDerWaalsContact O-CA 3.29Å; C507-E536 WeakPolarHBondContact O-CA 3.49Å; A508-E536 HydrophobicContact CB-CB 3.86Å
537	V	94.2	Very high	91.6	Very high	5 Å²	5	23 Å²	23	3%	0.03	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132	173.6	70.3	0	0	0	0	110	C302 P466 L468 C507	C302-V537 CarbonylContact O-C 3.54Å; C302-V537 WeakPolarHBondContact O-CA 3.15Å; P466-V537 WeakPolarHBondContact O-CG1 3.14Å; L468-V537 HydrophobicContact CD1-CB 4.15Å; L468-V537 HydrophobicContact CD2-CG2 4.28Å; L468-V537 HydrophobicContact CG-CB 3.96Å; L468-V537 HydrophobicContact CG-CG2 4.11Å; C507-V537 HydrophobicContact CB-CG1 4.35Å; C507-V537 WeakPolarHBondContact O-CG1 3.27Å; C507-V537 PolarHBondContact O-N 3.36Å
538	I	91.1	Very high	91.3	Very high	36 Å²	36	20 Å²	20	19%	0.185	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	101.3	168.5	-55.1	-172.6	0	0	0	108.4	S301 C302 H304 Y315 I541	S301-I538 CarbonylContact C-O 3.58Å; S301-I538 VanDerWaalsContact CA-O 3.31Å; S301-I538 WeakPolarHBondContact CA-O 3.48Å; C302-I538 PolarHBondContact N-O 3.43Å; C302-I538 PolarHBondContact O-N 3.41Å; H304-I538 HydrophobicContact CB-CD1 3.51Å; H304-I538 HydrophobicContact CB-CG1 3.85Å; Y315-I538 HydrophobicContact CE1-CD1 3.98Å; I538-I541 HydrophobicContact CG2-CB 4.08Å; I538-I541 HydrophobicContact CG2-CD1 3.99Å
539	P	88	Confident	90.7	Very high	43 Å²	43	25.7 Å²	25.7	28%	0.279	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	136.7	-178	-23.2	34.4	0	0	0	113.5	P466 I541	P466-P539 HydrophobicContact CB-CG 4.45Å; P539-I541 VanDerWaalsContact C-N 3.26Å; P539-I541 PolarHBondContact O-N 2.88Å; P539-I541 VanDerWaalsContact O-N 3.12Å
540	G	86	Confident	89.6	Confident	38 Å²	38	25.1 Å²	25.1	39%	0.392	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	60	26.3	164.7	0	0	0	0	0	116.5	V300 L542	V300-G540 WeakPolarHBondContact O-CA 3.47Å; V300-G540 PolarHBondContact O-N 2.79Å; G540-L542 VanDerWaalsContact C-N 3.29Å; G540-L542 PolarHBondContact O-N 2.87Å
541	I	83.7	Confident	88.1	Confident	29 Å²	29	31.1 Å²	31.1	15%	0.149	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	-30.6	179.8	-172.4	157.5	0	0	0	111.8	I214 Y219 V300 C302 Y315 I538 P539	I214-I541 HydrophobicContact CD1-CD1 4.13Å; I214-I541 HydrophobicContact CD1-CG1 4.42Å; I214-I541 HydrophobicContact CG1-CD1 4.46Å; Y219-I541 HydrophobicContact CE1-CD1 4.44Å; Y219-I541 HydrophobicContact CE1-CG1 4.11Å; Y219-I541 WeakPolarHBondContact OH-CG1 3.34Å; Y219-I541 PolarHBondContact OH-O 3.35Å; V300-I541 PolarHBondContact O-N 2.86Å; C302-I541 HydrophobicContact CB-CG2 3.6Å; C302-I541 WeakPolarHBondContact SG-CG2 3.21Å; Y315-I541 HydrophobicContact CE1-CD1 4.41Å; I538-I541 HydrophobicContact CG2-CB 4.08Å; I538-I541 HydrophobicContact CG2-CD1 3.99Å; P539-I541 VanDerWaalsContact C-N 3.26Å; P539-I541 PolarHBondContact O-N 2.88Å; P539-I541 VanDerWaalsContact O-N 3.12Å
542	L	88.6	Confident	88	Confident	9 Å²	9	32.3 Å²	32.3	5%	0.047	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	166.9	178.7	66.5	87.5	0	0	0	112.2	I210 I230 P299 V300 C302 I317 G540 V544	I210-L542 HydrophobicContact CB-CD2 4.2Å; I210-L542 HydrophobicContact CD1-CD2 3.99Å; I210-L542 HydrophobicContact CG1-CD2 3.69Å; I210-L542 HydrophobicContact CG2-CD2 3.6Å; I230-L542 HydrophobicContact CD1-CD1 4.24Å; P299-L542 CarbonylContact C-O 3.54Å; P299-L542 WeakPolarHBondContact CA-O 3.38Å; V300-L542 HydrophobicContact CB-CD1 3.62Å; V300-L542 HydrophobicContact CB-CG 4.11Å; V300-L542 HydrophobicContact CG1-CD1 4.26Å; V300-L542 HydrophobicContact CG2-CD1 3.8Å; V300-L542 PolarHBondContact N-O 3.38Å; C302-L542 VanDerWaalsContact SG-CD2 3.52Å; I317-L542 HydrophobicContact CG2-CD2 4.32Å; G540-L542 VanDerWaalsContact C-N 3.29Å; G540-L542 PolarHBondContact O-N 2.87Å; L542-V544 HydrophobicContact CD1-CG2 3.76Å
543	N	91.5	Very high	87.7	Confident	33 Å²	33	33.3 Å²	33.3	18%	0.176	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.4	-177.3	-81.5	-31	0	0	0	111.3	T227 P229 I230 I297 T298 P299	T227-N543 WeakPolarHBondContact CB-ND2 3.35Å; T227-N543 HydrophobicContact CG2-CB 4.1Å; T227-N543 VanDerWaalsContact CG2-ND2 3.26Å; T227-N543 WeakPolarHBondContact CG2-ND2 3.47Å; P229-N543 CarbonylContact C-O 3.51Å; P229-N543 VanDerWaalsContact CA-O 3.25Å; P229-N543 WeakPolarHBondContact CA-O 3.35Å; P229-N543 HydrophobicContact CB-CB 4.12Å; I230-N543 PolarHBondContact N-O 3.36Å; I297-N543 HydrophobicContact CG2-CB 3.5Å; T298-N543 WeakPolarHBondContact O-CA 3.34Å; P299-N543 WeakPolarHBondContact CA-OD1 3.47Å
544	V	93.8	Very high	87.4	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.7	175.4	169.2	0	0	0	0	110.8	I230 I232 I245 T298 V300 M463 L542 S546	I230-V544 HydrophobicContact CB-CG2 4.24Å; I230-V544 CarbonylContact O-C 3.55Å; I230-V544 VanDerWaalsContact O-CA 3.31Å; I230-V544 WeakPolarHBondContact O-CA 3.4Å; I232-V544 HydrophobicContact CD1-CG1 4.3Å; I245-V544 HydrophobicContact CD1-CG1 3.64Å; I245-V544 HydrophobicContact CG1-CG1 4.45Å; T298-V544 PolarHBondContact N-O 2.8Å; T298-V544 PolarHBondContact O-N 2.82Å; V300-V544 HydrophobicContact CG2-CB 3.75Å; V300-V544 HydrophobicContact CG2-CG2 3.48Å; V300-V544 VanDerWaalsContact CG2-CG2 3.48Å; M463-V544 HydrophobicContact SD-CB 4.49Å; M463-V544 HydrophobicContact SD-CG1 4.45Å; L542-V544 HydrophobicContact CD1-CG2 3.76Å; V544-S546 PolarHBondContact O-N 3.37Å
545	I	93.9	Very high	87	Confident	10 Å²	10	36.1 Å²	36.1	5%	0.051	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	108.6	171.5	-54.6	170.1	0	0	0	108.1	Y136 A196 P229 I230 L265 I269	Y136-I545 HydrophobicContact CE1-CD1 4.29Å; A196-I545 HydrophobicContact CB-CD1 3.8Å; P229-I545 HydrophobicContact CB-CD1 4.46Å; P229-I545 HydrophobicContact CB-CG1 3.93Å; P229-I545 HydrophobicContact CG-CD1 4.07Å; P229-I545 HydrophobicContact CG-CG1 4.01Å; I230-I545 PolarHBondContact O-N 3.29Å; L265-I545 HydrophobicContact CD2-CB 3.89Å; L265-I545 HydrophobicContact CD2-CD1 3.6Å; L265-I545 HydrophobicContact CD2-CG1 4.33Å; L265-I545 HydrophobicContact CD2-CG2 3.93Å; I269-I545 HydrophobicContact CD1-CD1 3.49Å; I269-I545 VanDerWaalsContact CD1-CD1 3.49Å; I269-I545 HydrophobicContact CD1-CG1 4.22Å; I269-I545 HydrophobicContact CG1-CD1 4.15Å
546	S	91.5	Very high	86.4	Confident	4 Å²	4	38.3 Å²	38.3	3%	0.028	23%	0.225	C	C	.	.			trans	-120.1	-29	-173.1	71.6	0	0	0	0	114.7	I245 S249 L264 R296 T298 V544	I245-S546 WeakPolarHBondContact CG2-O 3.25Å; S249-S546 PolarHBondContact OG-O 2.87Å; L264-S546 WeakPolarHBondContact CD1-O 3.35Å; R296-S546 PolarHBondContact O-N 2.89Å; T298-S546 PolarHBondContact OG1-OG 3.01Å; V544-S546 PolarHBondContact O-N 3.37Å
547	G	87.8	Confident	85.8	Confident	4 Å²	4	40.2 Å²	40.2	4%	0.041	24%	0.236	C	C	.	.			trans	69.2	175.1	-165	0	0	0	0	0	113.7	S249 L294 R296	S249-G547 WeakPolarHBondContact OG-CA 3.4Å; S249-G547 PolarHBondContact OG-O 3.01Å; L294-G547 CarbonylContact O-C 3.44Å; L294-G547 WeakPolarHBondContact O-CA 3.46Å; R296-G547 PolarHBondContact O-N 3.14Å
548	T	87.4	Confident	85.3	Confident	36 Å²	36	42.7 Å²	42.7	22%	0.221	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	148.3	174	-165.5	0	0	0	0	111.8	S249 V293 L294 R296	S249-T548 PolarHBondContact OG-N 2.88Å; V293-T548 WeakPolarHBondContact CG1-O 3.46Å; L294-T548 HydrophobicContact CB-CG2 3.88Å; L294-T548 HydrophobicContact CD1-CG2 4.48Å; L294-T548 PolarHBondContact N-O 2.9Å; L294-T548 PolarHBondContact O-N 3.24Å; R296-T548 HydrophobicContact CB-CG2 4.34Å
549	K	81.1	Confident	84.8	Confident	123 Å²	123	43.2 Å²	43.2	54%	0.535	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	144.6	175.3	68.1	-174.7	179.2	-172.1	0	111.3	H248 V551	H248-K549 PolarHBondContact O-N 2.78Å; K549-V551 HydrophobicContact CG-CG2 4.4Å; K549-V551 PolarHBondContact O-N 3.41Å
550	V	70.3	Confident	84.5	Confident	45 Å²	45	43.3 Å²	43.3	27%	0.273	25%	0.254	S	S	.	.			trans	-75.1	118.1	164.3	178.2	0	0	0	0	107.7	T290 L291 L294	T290-V550 HydrophobicContact CG2-CG1 3.78Å; T290-V550 HydrophobicContact CG2-CG2 4.37Å; L291-V550 WeakPolarHBondContact O-CG2 3.03Å; L294-V550 HydrophobicContact CD1-CG2 4.3Å; L294-V550 HydrophobicContact CD2-CG2 4.28Å; L294-V550 HydrophobicContact CG-CG2 3.84Å
551	V	58.9	Low	84.4	Confident	187 Å²	187	43.7 Å²	43.7	100%	1.133	24%	0.242	S	C	*	.			trans	-79	0	176.9	180	0	0	0	0	110.1	K549	K549-V551 HydrophobicContact CG-CG2 4.4Å; K549-V551 PolarHBondContact O-N 3.41Å

Retrieved 551 of 551 residues in 845 ms (Link to these results)

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