A0A5K4FEC2_SCHMA Loading...

Peptidase_M16 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FEC2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 473 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	34.7	Very low	32	Very low	247 Å²	247	157.5 Å²	157.5	100%	1.217	83%	0.831	S	S	*	*				0	140.4	0	-67.5	164.9	86.2	0	0	108.1
2	S	32.9	Very low	31.7	Very low	113 Å²	113	157.4 Å²	157.4	79%	0.79	82%	0.822	S	S	*	*			trans	-80.3	137.7	-173.7	-179.9	0	0	0	0	112.4
3	S	36.2	Very low	31.5	Very low	112 Å²	112	158.7 Å²	158.7	78%	0.783	83%	0.829	S	S	*	*			trans	-160.2	83.6	148.7	-171.1	0	0	0	0	110.6	S5	S3-S5 PolarHBondContact O-N 3.02Å
4	S	30.7	Very low	31.3	Very low	110 Å²	110	159.4 Å²	159.4	77%	0.769	82%	0.822	S	S	*	*			trans	-74	85.1	176.2	-57	0	0	0	0	111.5	R6	S4-R6 PolarHBondContact O-N 3.08Å
5	S	34.4	Very low	31.4	Very low	104 Å²	104	156.9 Å²	156.9	73%	0.727	82%	0.82	S	S	*	*			trans	-83.9	103.6	171.6	-160.1	0	0	0	0	110.9	S3 F7	S3-S5 PolarHBondContact O-N 3.02Å; S5-F7 PolarHBondContact O-N 3.34Å; S5-F7 VanDerWaalsContact O-N 3.08Å
6	R	32.1	Very low	31.3	Very low	222 Å²	222	161.9 Å²	161.9	84%	0.838	83%	0.825	S	S	*	*			trans	-70.5	98.5	-176.8	-67.5	173.9	173.9	168.6	-3.2	111.1	S4 R8	S4-R6 PolarHBondContact O-N 3.08Å; R6-R8 VanDerWaalsContact C-N 3.28Å; R6-R8 PolarHBondContact O-N 2.88Å
7	F	31.2	Very low	31.3	Very low	201 Å²	201	157.3 Å²	157.3	88%	0.882	82%	0.817	S	S	*	*			trans	-67.2	88.8	160.8	-105	-93.1	0	0	0	109.7	S5 V9	S5-F7 PolarHBondContact O-N 3.34Å; S5-F7 VanDerWaalsContact O-N 3.08Å; F7-V9 PolarHBondContact O-N 3.15Å
8	R	30.4	Very low	31.3	Very low	225 Å²	225	154.7 Å²	154.7	85%	0.849	81%	0.808	S	S	*	*			trans	-68	101	166.9	-96.7	-175	169.1	178.9	-3.2	108.3	R6 L10	R6-R8 VanDerWaalsContact C-N 3.28Å; R6-R8 PolarHBondContact O-N 2.88Å; R8-L10 PolarHBondContact O-N 3.05Å; R8-L10 VanDerWaalsContact O-N 3.15Å
9	V	31.4	Very low	31.1	Very low	118 Å²	118	152.8 Å²	152.8	72%	0.715	80%	0.799	S	S	*	*			trans	-56.2	116.6	166.1	179.3	0	0	0	0	108	F7 T11	F7-V9 PolarHBondContact O-N 3.15Å; V9-T11 HydrophobicContact CG1-CG2 4.13Å; V9-T11 PolarHBondContact O-N 2.91Å
10	L	30.1	Very low	31.1	Very low	174 Å²	174	152.9 Å²	152.9	91%	0.911	80%	0.799	S	S	*	*			trans	-75.2	76.7	174.7	-83.9	164.1	0	0	0	109.8	R8	R8-L10 PolarHBondContact O-N 3.05Å; R8-L10 VanDerWaalsContact O-N 3.15Å
11	T	27.9	Very low	31.1	Very low	107 Å²	107	149.6 Å²	149.6	66%	0.656	79%	0.794	S	S	*	*			trans	-68.7	140.2	167.5	34.3	0	0	0	0	111	V9	V9-T11 HydrophobicContact CG1-CG2 4.13Å; V9-T11 PolarHBondContact O-N 2.91Å
12	Q	28.2	Very low	30.7	Very low	156 Å²	156	143 Å²	143	73%	0.729	77%	0.768	S	S	*	*			trans	68.8	59.1	164.3	-51.5	-62.6	-13.8	0	0	118.2	K14	Q12-K14 PolarHBondContact O-N 3.12Å; Q12-K14 VanDerWaalsContact O-N 3.12Å
13	L	29.7	Very low	30.4	Very low	174 Å²	174	142 Å²	142	91%	0.911	76%	0.761	S	S	*	*			trans	-74.1	84.6	139.4	-83.8	171.6	0	0	0	108.4
14	K	27.9	Very low	30	Very low	169 Å²	169	142.1 Å²	142.1	74%	0.735	76%	0.761	S	S	*	*			trans	-53.6	129.4	161.2	-84.9	-175.5	173.8	-179.6	0	107	Q12 R16	Q12-K14 PolarHBondContact O-N 3.12Å; Q12-K14 VanDerWaalsContact O-N 3.12Å; K14-R16 PolarHBondContact O-N 3.08Å; K14-R16 VanDerWaalsContact O-N 3.08Å
15	P	33.6	Very low	29.9	Very low	122 Å²	122	144.7 Å²	144.7	79%	0.792	76%	0.76	S	S	*	*			trans	-57.7	124.2	171.7	24.8	-32	0	0	0	106.8	A17	P15-A17 VanDerWaalsContact C-N 3.29Å; P15-A17 PolarHBondContact O-N 2.86Å
16	R	30	Very low	29.8	Very low	237 Å²	237	145.7 Å²	145.7	89%	0.894	76%	0.762	S	S	*	*			trans	-58.3	106	160.9	-89.7	-177.6	168.1	174.9	-4.2	104.9	K14 V18	K14-R16 PolarHBondContact O-N 3.08Å; K14-R16 VanDerWaalsContact O-N 3.08Å; R16-V18 PolarHBondContact O-N 2.77Å
17	A	30.2	Very low	29.9	Very low	83 Å²	83	136.6 Å²	136.6	69%	0.686	74%	0.738	S	S	*	*			trans	-59.4	90.6	156.7	0	0	0	0	0	105.3	P15 N19	P15-A17 VanDerWaalsContact C-N 3.29Å; P15-A17 PolarHBondContact O-N 2.86Å; A17-N19 VanDerWaalsContact C-N 3.28Å; A17-N19 PolarHBondContact O-N 2.98Å
18	V	32.7	Very low	30.1	Very low	110 Å²	110	138.5 Å²	138.5	67%	0.667	74%	0.739	S	S	*	*			trans	-62.6	105.6	161.7	178.7	0	0	0	0	103	R16 I20	R16-V18 PolarHBondContact O-N 2.77Å; V18-I20 HydrophobicContact CB-CG1 4.41Å; V18-I20 HydrophobicContact CG1-CG1 3.85Å; V18-I20 PolarHBondContact O-N 2.74Å
19	N	25.9	Very low	30.8	Very low	119 Å²	119	134 Å²	134	64%	0.636	73%	0.727	S	S	*	*			trans	-64.3	84.9	171.1	-76.7	-16.2	0	0	0	107.3	A17 A21	A17-N19 VanDerWaalsContact C-N 3.28Å; A17-N19 PolarHBondContact O-N 2.98Å; N19-A21 HydrophobicContact CB-CB 4.46Å; N19-A21 PolarHBondContact O-N 2.86Å
20	I	31	Very low	31.7	Very low	154 Å²	154	133.7 Å²	133.7	79%	0.79	72%	0.717	S	S	*	*			trans	-75.2	54.7	160.1	-46.8	178.2	0	0	0	106.9	V18	V18-I20 HydrophobicContact CB-CG1 4.41Å; V18-I20 HydrophobicContact CG1-CG1 3.85Å; V18-I20 PolarHBondContact O-N 2.74Å
21	A	31.7	Very low	33.7	Very low	85 Å²	85	130.4 Å²	130.4	70%	0.702	70%	0.7	S	S	*	*			trans	-147.9	24.4	-174.1	0	0	0	0	0	109.8	N19	N19-A21 HydrophobicContact CB-CB 4.46Å; N19-A21 PolarHBondContact O-N 2.86Å
22	T	26.8	Very low	36.2	Very low	108 Å²	108	126.4 Å²	126.4	66%	0.663	68%	0.675	S	S	*	*	S	Bend	trans	-137.6	107.2	166.4	12.9	0	0	0	0	108
23	S	26.8	Very low	38.9	Very low	92 Å²	92	121 Å²	121	64%	0.643	66%	0.655	S	S	*	*			trans	45.8	91	175.4	70.6	0	0	0	0	115.8	Q25	S23-Q25 PolarHBondContact O-N 2.83Å
24	C	26.6	Very low	41.6	Very low	115 Å²	115	114.9 Å²	114.9	78%	0.777	62%	0.624	S	S	*	*				-59.6	77.2	125.4	-69.5	0	0	0	0	107.7	V26	C24-V26 PolarHBondContact O-N 3.48Å
25	Q	28.8	Very low	44.6	Very low	163 Å²	163	110.2 Å²	110.2	76%	0.762	61%	0.61	S	S	*	*			trans	-58.3	103.6	146.4	-63.8	-163.3	-6.2	0	0	103.1	S23 G27	S23-Q25 PolarHBondContact O-N 2.83Å; Q25-G27 PolarHBondContact O-N 2.93Å
26	V	32.6	Very low	47.2	Very low	125 Å²	125	110.2 Å²	110.2	76%	0.758	60%	0.6	S	S	*	*			trans	-63.5	85.8	162.9	177.2	0	0	0	0	103.6	C24 R28	C24-V26 PolarHBondContact O-N 3.48Å; V26-R28 PolarHBondContact O-N 3.31Å
27	G	34.5	Very low	49.9	Very low	32 Å²	32	99.8 Å²	99.8	33%	0.33	56%	0.563	S	S	.	*			trans	-54.4	113.1	-170.6	0	0	0	0	0	106.3	Q25 Q29 L49	Q25-G27 PolarHBondContact O-N 2.93Å; G27-Q29 WeakPolarHBondContact O-CA 3.18Å; G27-Q29 PolarHBondContact O-N 2.93Å; G27-L49 WeakPolarHBondContact O-CD1 3.46Å
28	R	34.6	Very low	52.5	Low	240 Å²	240	101.2 Å²	101.2	91%	0.906	57%	0.574	S	S	*	*			trans	-35.1	100.2	-164.9	-168.6	-176.2	-163.9	175.7	4.6	109.1	V26 K30	V26-R28 PolarHBondContact O-N 3.31Å; R28-K30 PolarHBondContact O-N 3.3Å
29	Q	45.3	Very low	55	Low	130 Å²	130	100.7 Å²	100.7	61%	0.607	57%	0.565	S	S	*	*			trans	-56.8	111.9	-165.3	-176.8	176.8	4.6	0	0	106.7	G27 D31	G27-Q29 WeakPolarHBondContact O-CA 3.18Å; G27-Q29 PolarHBondContact O-N 2.93Å; Q29-D31 PolarHBondContact O-N 3.47Å; Q29-D31 VanDerWaalsContact O-N 3.1Å
30	K	50.8	Low	57.9	Low	113 Å²	113	95.4 Å²	95.4	49%	0.491	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-56.5	124.3	173.2	-83.6	-175.1	174.5	-179.6	0	105.1	R28 P47 S239	R28-K30 PolarHBondContact O-N 3.3Å; K30-P47 HydrophobicContact CB-CB 4.26Å; K30-P47 HydrophobicContact CB-CG 3.7Å; K30-P47 WeakPolarHBondContact O-CG 3.31Å; K30-S239 WeakPolarHBondContact CE-O 3.36Å; K30-S239 PolarHBondContact NZ-O 3.23Å
31	D	72.9	Confident	60.8	Low	104 Å²	104	88.1 Å²	88.1	56%	0.556	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-62.2	159.1	-178.9	-107	-40.5	0	0	0	110.1	Q29 S33 K423	Q29-D31 PolarHBondContact O-N 3.47Å; Q29-D31 VanDerWaalsContact O-N 3.1Å; D31-S33 PolarHBondContact O-N 3.34Å; D31-S33 VanDerWaalsContact O-N 3.08Å; D31-K423 IonicContact OD1-NZ 2.76Å; D31-K423 PolarHBondContact OD1-NZ 3.09Å; D31-K423 IonicContact OD2-NZ 3.14Å; D31-K423 PolarHBondContact OD2-NZ 3.47Å
32	V	80	Confident	63.7	Low	24 Å²	24	86 Å²	86	15%	0.145	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-56.1	118.1	172.9	-174	0	0	0	0	108.6	V34 V44 L46 I409 F421	V32-V34 HydrophobicContact CG1-CG2 4.22Å; V32-V44 HydrophobicContact CG1-CG1 4.17Å; V32-L46 HydrophobicContact CG2-CD1 3.75Å; V32-I409 HydrophobicContact CG1-CD1 4.17Å; V32-F421 HydrophobicContact CB-CE2 3.79Å; V32-F421 HydrophobicContact CB-CZ 3.99Å; V32-F421 HydrophobicContact CG1-CE2 4.15Å; V32-F421 HydrophobicContact CG1-CZ 4.36Å; V32-F421 HydrophobicContact CG2-CE2 4.29Å
33	S	85	Confident	66.8	Low	43 Å²	43	81.1 Å²	81.1	30%	0.301	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.3	177.3	65.9	0	0	0	0	109.8	D31 S45 M244	D31-S33 PolarHBondContact O-N 3.34Å; D31-S33 VanDerWaalsContact O-N 3.08Å; S33-S45 PolarHBondContact N-O 2.97Å; S33-S45 VanDerWaalsContact N-O 3.16Å; S33-S45 PolarHBondContact O-N 3.32Å; S33-S45 WeakPolarHBondContact OG-CB 3.33Å; S33-M244 WeakPolarHBondContact OG-CG 3.36Å; S33-M244 PolarHBondContact OG-SD 2.98Å; S33-M244 VanDerWaalsContact OG-SD 3.41Å
34	V	87.1	Confident	69.9	Low	45 Å²	45	76.7 Å²	76.7	27%	0.273	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139	172.3	-179	0	0	0	0	108.7	V32 L43 V44 L413 F421	V32-V34 HydrophobicContact CG1-CG2 4.22Å; V34-L43 WeakPolarHBondContact CA-O 3.41Å; V34-V44 HydrophobicContact CG2-CG1 4.42Å; V34-V44 HydrophobicContact CG2-CG2 4.38Å; V34-L413 HydrophobicContact CG1-CD1 3.63Å; V34-L413 HydrophobicContact CG1-CD2 4.02Å; V34-L413 HydrophobicContact CG2-CD1 4.07Å; V34-F421 HydrophobicContact CB-CD1 4.23Å; V34-F421 HydrophobicContact CB-CE1 4.17Å; V34-F421 HydrophobicContact CG2-CD1 3.53Å; V34-F421 HydrophobicContact CG2-CE1 3.6Å; V34-F421 HydrophobicContact CG2-CG 4.21Å; V34-F421 HydrophobicContact CG2-CZ 4.33Å
35	T	89.1	Confident	72.9	Confident	71 Å²	71	71.3 Å²	71.3	44%	0.436	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	142.5	175.2	-54.9	0	0	0	0	109.6	L43 M244	T35-L43 PolarHBondContact N-O 3.02Å; T35-L43 WeakPolarHBondContact O-CA 3.22Å; T35-L43 WeakPolarHBondContact O-CB 3.38Å; T35-L43 PolarHBondContact O-N 3.22Å; T35-M244 VanDerWaalsContact CB-CE 3.48Å; T35-M244 WeakPolarHBondContact OG1-CE 3.08Å
36	Q	88.3	Confident	75.7	Confident	122 Å²	122	64.1 Å²	64.1	57%	0.57	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	139.7	170.9	-163.2	175.1	12.4	0	0	110.2	G40	Q36-G40 PolarHBondContact NE2-O 3.47Å
37	S	86.7	Confident	78.1	Confident	18 Å²	18	58.4 Å²	58.4	13%	0.126	31%	0.311	C	S	.	.			trans	-90	160.8	174.1	74.4	0	0	0	0	111.6	E39 G40 I41 K251	S37-E39 PolarHBondContact O-N 3.27Å; S37-G40 PolarHBondContact O-N 3.06Å; S37-I41 WeakPolarHBondContact CB-O 3.47Å; S37-I41 PolarHBondContact N-O 3.21Å; S37-I41 WeakPolarHBondContact OG-CB 3.36Å; S37-I41 PolarHBondContact OG-N 3.35Å; S37-I41 PolarHBondContact OG-O 3.31Å; S37-K251 VanDerWaalsContact CB-CE 3.45Å; S37-K251 WeakPolarHBondContact OG-CE 3.3Å; S37-K251 PolarHBondContact OG-NZ 3.03Å
38	A	85.5	Confident	80	Confident	112 Å²	112	59.3 Å²	59.3	93%	0.926	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-22	-178.7	0	0	0	0	0	115.2	G40	A38-G40 VanDerWaalsContact C-N 3.32Å
39	E	85.1	Confident	81.1	Confident	100 Å²	100	50.3 Å²	50.3	47%	0.467	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	3.7	176	-70.7	141.1	-125.3	0	0	112.7	S37 G227 K251 L256	S37-E39 PolarHBondContact O-N 3.27Å; E39-G227 WeakPolarHBondContact O-CA 3.4Å; E39-K251 VanDerWaalsContact CD-CE 3.48Å; E39-K251 IonicContact OE1-NZ 2.88Å; E39-K251 PolarHBondContact OE1-NZ 3.5Å; E39-K251 WeakPolarHBondContact OE2-CE 3.26Å; E39-K251 IonicContact OE2-NZ 3.83Å; E39-K251 PolarHBondContact OE2-NZ 2.91Å; E39-L256 HydrophobicContact CB-CD1 3.58Å; E39-L256 HydrophobicContact CG-CD1 4.13Å
40	G	87.4	Confident	81.4	Confident	8 Å²	8	49.2 Å²	49.2	8%	0.082	28%	0.283	C	S	.	.	S	Bend	trans	91.6	-16	-178.3	0	0	0	0	0	115.3	Q36 S37 A38 K42 G227	Q36-G40 PolarHBondContact NE2-O 3.47Å; S37-G40 PolarHBondContact O-N 3.06Å; A38-G40 VanDerWaalsContact C-N 3.32Å; G40-K42 PolarHBondContact O-N 3.34Å; G40-G227 CarbonylContact C-O 3.55Å
41	I	91.4	Very high	81.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.285	C	S	.	.			trans	-58.8	129.7	178.3	-57.1	166.4	0	0	0	110	S37 L43 G227 C230 L232 K251 I254 L256	S37-I41 WeakPolarHBondContact CB-O 3.47Å; S37-I41 PolarHBondContact N-O 3.21Å; S37-I41 WeakPolarHBondContact OG-CB 3.36Å; S37-I41 PolarHBondContact OG-N 3.35Å; S37-I41 PolarHBondContact OG-O 3.31Å; I41-L43 HydrophobicContact CG2-CD2 3.96Å; I41-G227 VanDerWaalsContact CA-O 3.29Å; I41-G227 WeakPolarHBondContact CA-O 3.28Å; I41-G227 PolarHBondContact N-O 2.77Å; I41-C230 HydrophobicContact CG1-CB 4.24Å; I41-C230 HydrophobicContact CG2-CB 4.34Å; I41-L232 HydrophobicContact CG2-CB 4.29Å; I41-K251 HydrophobicContact CD1-CD 4.42Å; I41-K251 HydrophobicContact CD1-CG 3.71Å; I41-I254 HydrophobicContact CD1-CB 4.28Å; I41-I254 HydrophobicContact CD1-CD1 3.87Å; I41-I254 HydrophobicContact CD1-CG2 4.28Å; I41-L256 HydrophobicContact CD1-CD1 3.72Å; I41-L256 HydrophobicContact CD1-CD2 4.15Å; I41-L256 HydrophobicContact CD1-CG 4.18Å; I41-L256 HydrophobicContact CG1-CD1 3.95Å; I41-L256 HydrophobicContact CG1-CD2 4.31Å
42	K	92.5	Very high	80.7	Confident	42 Å²	42	47.8 Å²	47.8	18%	0.183	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125.1	177.9	-63	173.6	-178.5	171.2	0	109.3	G40 C230 A231 L232 L413 L414	G40-K42 PolarHBondContact O-N 3.34Å; K42-C230 PolarHBondContact N-O 3.4Å; K42-C230 VanDerWaalsContact N-O 3.07Å; K42-A231 HydrophobicContact CB-CB 4.26Å; K42-A231 CarbonylContact O-C 3.48Å; K42-A231 VanDerWaalsContact O-CA 3.26Å; K42-A231 WeakPolarHBondContact O-CA 3.39Å; K42-L232 PolarHBondContact O-N 3.13Å; K42-L413 HydrophobicContact CD-CB 4.17Å; K42-L413 VanDerWaalsContact CD-O 3.28Å; K42-L413 WeakPolarHBondContact CD-O 3.42Å; K42-L413 WeakPolarHBondContact CE-O 3.28Å; K42-L413 PolarHBondContact NZ-O 2.89Å; K42-L414 HydrophobicContact CD-CD2 4.47Å
43	L	92.8	Very high	79.6	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132	-176.5	-56.6	-177.5	0	0	0	110	V34 T35 I41 L232 M244 L247	V34-L43 WeakPolarHBondContact CA-O 3.41Å; T35-L43 PolarHBondContact N-O 3.02Å; T35-L43 WeakPolarHBondContact O-CA 3.22Å; T35-L43 WeakPolarHBondContact O-CB 3.38Å; T35-L43 PolarHBondContact O-N 3.22Å; I41-L43 HydrophobicContact CG2-CD2 3.96Å; L43-L232 WeakPolarHBondContact CA-O 3.42Å; L43-L232 HydrophobicContact CD2-CB 3.98Å; L43-L232 HydrophobicContact CD2-CD2 4.24Å; L43-M244 HydrophobicContact CB-CE 3.8Å; L43-M244 HydrophobicContact CD1-CE 4.45Å; L43-L247 HydrophobicContact CB-CD1 3.95Å; L43-L247 HydrophobicContact CD1-CB 4.42Å; L43-L247 HydrophobicContact CD2-CB 4.41Å
44	V	91.3	Very high	79.1	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	117.1	-177.2	-175.6	0	0	0	0	110.3	V32 V34 L232 G233 I234 L406 I409 L413	V32-V44 HydrophobicContact CG1-CG1 4.17Å; V34-V44 HydrophobicContact CG2-CG1 4.42Å; V34-V44 HydrophobicContact CG2-CG2 4.38Å; V44-L232 PolarHBondContact N-O 3.43Å; V44-G233 CarbonylContact O-C 3.57Å; V44-G233 VanDerWaalsContact O-CA 3.23Å; V44-G233 WeakPolarHBondContact O-CA 3.38Å; V44-I234 PolarHBondContact O-N 3.34Å; V44-L406 HydrophobicContact CB-CD1 4.18Å; V44-L406 HydrophobicContact CG1-CD1 3.83Å; V44-I409 HydrophobicContact CG1-CG2 3.79Å; V44-I409 HydrophobicContact CG2-CG2 4.17Å; V44-L413 HydrophobicContact CG2-CD1 3.51Å
45	S	90.3	Very high	78.9	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.007	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.6	169.6	-159.3	0	0	0	0	111.2	S33 P47 I234 H236 G243 M244	S33-S45 PolarHBondContact N-O 2.97Å; S33-S45 VanDerWaalsContact N-O 3.16Å; S33-S45 PolarHBondContact O-N 3.32Å; S33-S45 WeakPolarHBondContact OG-CB 3.33Å; S45-P47 WeakPolarHBondContact O-CD 3.21Å; S45-I234 VanDerWaalsContact OG-CG2 3.26Å; S45-I234 WeakPolarHBondContact OG-CG2 3.26Å; S45-H236 PolarHBondContact OG-CD2 2.76Å; S45-H236 PolarHBondContact OG-NE2 2.72Å; S45-G243 WeakPolarHBondContact OG-CA 3.47Å; S45-M244 VanDerWaalsContact CB-SD 3.59Å
46	L	87.5	Confident	78.9	Confident	12 Å²	12	51.6 Å²	51.6	6%	0.063	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	100	174.2	-175.6	61.9	0	0	0	109.5	V32 Q48 I234 I235 H236 P402	V32-L46 HydrophobicContact CG2-CD1 3.75Å; L46-Q48 PolarHBondContact O-N 3.21Å; L46-I234 PolarHBondContact N-O 3.28Å; L46-I235 HydrophobicContact CB-CG1 4.09Å; L46-I235 HydrophobicContact CD2-CG1 4.17Å; L46-I235 VanDerWaalsContact O-CA 3.31Å; L46-I235 WeakPolarHBondContact O-CA 3.45Å; L46-H236 PolarHBondContact O-N 3.21Å; L46-P402 HydrophobicContact CD2-CB 4.18Å
47	P	83.2	Confident	78.9	Confident	5 Å²	5	47 Å²	47	3%	0.032	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	114.4	173.7	29.5	-33.5	0	0	0	109.7	K30 S45	K30-P47 HydrophobicContact CB-CB 4.26Å; K30-P47 HydrophobicContact CB-CG 3.7Å; K30-P47 WeakPolarHBondContact O-CG 3.31Å; S45-P47 WeakPolarHBondContact O-CD 3.21Å
48	Q	74.1	Confident	79.1	Confident	51 Å²	51	46.1 Å²	46.1	24%	0.238	29%	0.293	C	S	.	.			trans	-105	82.4	179.5	-172.6	65.8	45.1	0	0	110.2	L46 S50 I235 H236 P237	L46-Q48 PolarHBondContact O-N 3.21Å; Q48-S50 PolarHBondContact O-N 2.79Å; Q48-S50 VanDerWaalsContact O-N 3.16Å; Q48-I235 HydrophobicContact CB-CG2 3.76Å; Q48-H236 PolarHBondContact N-O 2.88Å; Q48-P237 WeakPolarHBondContact O-CA 3.41Å
49	L	56.8	Low	79.4	Confident	51 Å²	51	40.8 Å²	40.8	27%	0.267	25%	0.249	S	C	.	.			trans	-61.9	117.6	171.9	-75.2	131.3	0	0	0	110.1	G27	G27-L49 WeakPolarHBondContact O-CD1 3.46Å
50	S	52.1	Low	79.8	Confident	108 Å²	108	36 Å²	36	76%	0.755	23%	0.227	S	C	*	.	S	Bend	trans	54.9	65.3	159.4	55.2	0	0	0	0	118.8	Q48	Q48-S50 PolarHBondContact O-N 2.79Å; Q48-S50 VanDerWaalsContact O-N 3.16Å
51	L	53	Low	80.1	Confident	102 Å²	102	35.7 Å²	35.7	53%	0.534	22%	0.223	S	C	.	.	S	Bend	trans	-121.2	45.8	156.4	-85.4	178.6	0	0	0	112.9	F53	L51-F53 WeakPolarHBondContact O-CD2 3.41Å; L51-F53 PolarHBondContact O-N 2.79Å
52	G	54.9	Low	80.2	Confident	85 Å²	85	35.7 Å²	35.7	88%	0.876	22%	0.223	S	C	*	.	S	Bend	trans	68.6	-21.1	164.5	0	0	0	0	0	118.3	G54	G52-G54 VanDerWaalsContact C-N 3.3Å; G52-G54 PolarHBondContact O-N 3.1Å
53	F	57.2	Low	80.2	Confident	148 Å²	148	35.2 Å²	35.2	65%	0.649	22%	0.221	S	C	*	.			trans	-67.4	-24.2	-171.7	-76	-71.7	0	0	0	114.8	L51 C55	L51-F53 WeakPolarHBondContact O-CD2 3.41Å; L51-F53 PolarHBondContact O-N 2.79Å; F53-C55 PolarHBondContact O-N 2.57Å; F53-C55 PolarHBondContact O-SG 2.77Å
54	G	75.5	Confident	80.1	Confident	52 Å²	52	35.4 Å²	35.4	54%	0.536	22%	0.223	S	C	.	.			trans	61.1	-2.9	173.8	0	0	0	0	0	116.5	G52 P132	G52-G54 VanDerWaalsContact C-N 3.3Å; G52-G54 PolarHBondContact O-N 3.1Å; G54-P132 VanDerWaalsContact O-CD 3.22Å; G54-P132 WeakPolarHBondContact O-CD 3.34Å; G54-P132 WeakPolarHBondContact O-CG 3.45Å
55	C	82.9	Confident	80.2	Confident	61 Å²	61	35.4 Å²	35.4	41%	0.412	22%	0.223	S	C	.	.			trans	-106.8	148	-174.3	-62.1	0	0	0	0	110.6	F53 V130	F53-C55 PolarHBondContact O-N 2.57Å; F53-C55 PolarHBondContact O-SG 2.77Å; C55-V130 CarbonylContact C-O 3.49Å; C55-V130 VanDerWaalsContact CA-O 3.28Å; C55-V130 WeakPolarHBondContact CA-O 3.44Å; C55-V130 WeakPolarHBondContact CB-O 2.95Å
56	T	87.7	Confident	80.3	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	136	165.3	-66.6	0	0	0	0	108.9	I58 V130 P132 A135 I234 I235 H236	T56-I58 HydrophobicContact CG2-CG1 4.4Å; T56-V130 PolarHBondContact N-O 3.44Å; T56-V130 PolarHBondContact O-N 3.03Å; T56-V130 VanDerWaalsContact O-O 3.13Å; T56-P132 WeakPolarHBondContact OG1-CA 3.38Å; T56-P132 WeakPolarHBondContact OG1-CB 3.41Å; T56-A135 HydrophobicContact CG2-CB 3.64Å; T56-I234 HydrophobicContact CG2-CD1 3.69Å; T56-I234 HydrophobicContact CG2-CG1 3.65Å; T56-I235 CarbonylContact C-O 3.53Å; T56-I235 VanDerWaalsContact CA-O 3.28Å; T56-I235 WeakPolarHBondContact CA-O 3.34Å; T56-I235 WeakPolarHBondContact CG2-O 3.32Å; T56-H236 HydrophobicContact CG2-CB 4.48Å
57	R	88.8	Confident	80.5	Confident	25 Å²	25	36.1 Å²	36.1	9%	0.094	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.4	178	165.8	177.9	-72.5	163.4	-0.7	109.6	I128 D129 I234 I235 N401	R57-I128 CarbonylContact C-O 3.45Å; R57-I128 VanDerWaalsContact CA-O 3.31Å; R57-I128 WeakPolarHBondContact CA-O 3.44Å; R57-D129 WeakPolarHBondContact CG-OD1 3.1Å; R57-D129 IonicContact CZ-OD1 3.44Å; R57-D129 IonicContact CZ-OD2 3.18Å; R57-D129 IonicContact NE-OD1 2.65Å; R57-D129 PolarHBondContact NE-OD1 2.94Å; R57-D129 IonicContact NE-OD2 3.57Å; R57-D129 VanDerWaalsContact NH2-CG 3.29Å; R57-D129 IonicContact NH2-OD1 2.77Å; R57-D129 PolarHBondContact NH2-OD1 2.95Å; R57-D129 VanDerWaalsContact NH2-OD1 3.17Å; R57-D129 IonicContact NH2-OD2 3.28Å; R57-D129 PolarHBondContact NH2-OD2 3.03Å; R57-I234 CarbonylContact O-C 3.51Å; R57-I234 WeakPolarHBondContact O-CA 2.99Å; R57-I235 HydrophobicContact CB-CB 4.23Å; R57-I235 HydrophobicContact CB-CD1 4.12Å; R57-I235 HydrophobicContact CG-CD1 3.87Å; R57-I235 PolarHBondContact N-O 3.25Å; R57-I235 PolarHBondContact O-N 3.16Å; R57-N401 PolarHBondContact NH1-OD1 3.16Å; R57-N401 VanDerWaalsContact NH1-OD1 3.12Å
58	I	91.5	Very high	80.8	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.1	177.7	-60.8	172	0	0	0	108.1	T56 T127 I128 A135 L142 L232 G233 I234	T56-I58 HydrophobicContact CG2-CG1 4.4Å; I58-T127 WeakPolarHBondContact O-CA 3.12Å; I58-I128 HydrophobicContact CB-CG2 3.9Å; I58-I128 PolarHBondContact N-O 3.03Å; I58-I128 PolarHBondContact O-N 2.76Å; I58-A135 HydrophobicContact CD1-CB 4.37Å; I58-A135 WeakPolarHBondContact CD1-O 3.37Å; I58-L142 HydrophobicContact CG2-CD2 3.96Å; I58-L232 HydrophobicContact CG2-CD1 4.05Å; I58-G233 WeakPolarHBondContact CA-O 3.01Å; I58-I234 HydrophobicContact CD1-CD1 4.4Å; I58-I234 HydrophobicContact CG1-CB 4.48Å; I58-I234 HydrophobicContact CG1-CD1 4.14Å; I58-I234 HydrophobicContact CG1-CG1 3.98Å
59	A	92.4	Very high	81.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133	175.6	0	0	0	0	0	110.5	Y126 T127 G233 L403 L406	A59-Y126 CarbonylContact C-O 3.56Å; A59-Y126 VanDerWaalsContact CA-O 3.25Å; A59-Y126 WeakPolarHBondContact CA-O 3.47Å; A59-T127 HydrophobicContact CB-CG2 3.94Å; A59-G233 PolarHBondContact N-O 2.83Å; A59-G233 PolarHBondContact O-N 3.45Å; A59-L403 HydrophobicContact CB-CD1 4.39Å; A59-L406 HydrophobicContact CB-CD2 3.67Å
60	L	93.2	Very high	83.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.6	167.7	177.1	68.2	0	0	0	107.6	V62 Y126 L142 A146 F225 C230 L232 I254	L60-V62 HydrophobicContact CD2-CG2 4.26Å; L60-V62 HydrophobicContact CG-CG2 4Å; L60-Y126 HydrophobicContact CB-CD2 4.44Å; L60-Y126 HydrophobicContact CD2-CD2 4.31Å; L60-Y126 HydrophobicContact CG-CD2 4.4Å; L60-Y126 PolarHBondContact N-O 2.95Å; L60-Y126 PolarHBondContact O-N 2.91Å; L60-L142 HydrophobicContact CB-CD2 4.36Å; L60-A146 HydrophobicContact CD2-CB 3.8Å; L60-F225 HydrophobicContact CD2-CE1 4.12Å; L60-C230 HydrophobicContact CD1-CB 4.47Å; L60-L232 HydrophobicContact CB-CD1 4.08Å; L60-L232 HydrophobicContact CD1-CB 4.21Å; L60-L232 HydrophobicContact CD1-CD1 4.07Å; L60-I254 HydrophobicContact CD1-CD1 4.11Å
61	V	93.6	Very high	84.9	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.1	176.4	-175.8	0	0	0	0	107.9	H123 M124 I125 A231 T411 L414	V61-H123 HydrophobicContact CG1-CB 4.07Å; V61-M124 WeakPolarHBondContact CA-O 3.4Å; V61-I125 HydrophobicContact CG1-CG1 4.25Å; V61-I125 HydrophobicContact CG2-CG1 4.31Å; V61-I125 HydrophobicContact CG2-CG2 4.33Å; V61-A231 HydrophobicContact CB-CB 4.44Å; V61-A231 PolarHBondContact N-O 2.93Å; V61-A231 PolarHBondContact O-N 3.31Å; V61-T411 HydrophobicContact CG1-CG2 4.14Å; V61-L414 HydrophobicContact CB-CD1 4.18Å; V61-L414 HydrophobicContact CG1-CD1 3.71Å
62	V	93.3	Very high	86.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.4	-180	-175.7	0	0	0	0	108.7	L60 S64 H123 M124 Y126 G224 F225 K229	L60-V62 HydrophobicContact CD2-CG2 4.26Å; L60-V62 HydrophobicContact CG-CG2 4Å; V62-S64 PolarHBondContact O-N 3.34Å; V62-H123 CarbonylContact O-C 3.57Å; V62-H123 VanDerWaalsContact O-CA 3.27Å; V62-H123 WeakPolarHBondContact O-CA 3.43Å; V62-M124 PolarHBondContact N-O 3.14Å; V62-M124 PolarHBondContact O-N 3.19Å; V62-Y126 HydrophobicContact CG2-CD2 4.33Å; V62-Y126 HydrophobicContact CG2-CE2 3.98Å; V62-G224 VanDerWaalsContact CG1-O 3.26Å; V62-G224 WeakPolarHBondContact CG1-O 3.42Å; V62-F225 HydrophobicContact CG2-CE1 3.92Å; V62-F225 HydrophobicContact CG2-CZ 4.06Å; V62-K229 CarbonylContact C-O 3.55Å; V62-K229 WeakPolarHBondContact CA-O 3.44Å
63	K	92.4	Very high	88.3	Confident	33 Å²	33	32.1 Å²	32.1	14%	0.143	17%	0.171	C	C	.	.	S	Bend	trans	-70.7	80.4	172.4	-170.8	180	178.3	-174.2	0	109.9	Y68 K229	K63-Y68 WeakPolarHBondContact CE-OH 3.14Å; K63-Y68 HydrophobicContact CG-CE1 4.44Å; K63-Y68 HydrophobicContact CG-CE2 4.1Å; K63-Y68 VanDerWaalsContact CG-OH 3.26Å; K63-Y68 WeakPolarHBondContact CG-OH 3.32Å; K63-K229 HydrophobicContact CB-CB 3.92Å; K63-K229 HydrophobicContact CB-CG 4.22Å; K63-K229 HydrophobicContact CD-CG 4.45Å; K63-K229 PolarHBondContact N-O 2.74Å
64	S	91.6	Very high	89.9	Confident	8 Å²	8	29.6 Å²	29.6	6%	0.056	16%	0.158	C	C	.	.			trans	-156.3	152	-176.5	-177.4	0	0	0	0	108.5	V62 E122 H123 M124 Y220	V62-S64 PolarHBondContact O-N 3.34Å; S64-E122 PolarHBondContact N-O 2.83Å; S64-E122 CarbonylContact O-C 3.5Å; S64-H123 CarbonylContact O-C 3.51Å; S64-H123 WeakPolarHBondContact O-CA 3.24Å; S64-H123 PolarHBondContact O-N 2.72Å; S64-M124 WeakPolarHBondContact O-CG 3.48Å; S64-M124 PolarHBondContact O-N 2.67Å; S64-Y220 PolarHBondContact OG-OH 3.28Å
65	G	91.9	Very high	90.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	153	-178.8	-170.9	0	0	0	0	0	110.8	R67 Y68 R121 Y220	G65-R67 PolarHBondContact O-N 2.93Å; G65-Y68 PolarHBondContact O-N 2.81Å; G65-R121 CarbonylContact C-O 3.52Å; G65-R121 VanDerWaalsContact C-O 3.22Å; G65-R121 WeakPolarHBondContact CA-O 3.48Å; G65-Y220 PolarHBondContact N-OH 2.68Å; G65-Y220 PolarHBondContact O-OH 3.4Å
66	S	92.6	Very high	91.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-58.4	-25.8	-174.6	65.8	0	0	0	0	113.5	Y68 E69 S77 R121 Y200 S201	S66-Y68 PolarHBondContact O-N 2.93Å; S66-E69 WeakPolarHBondContact O-CB 3.36Å; S66-E69 WeakPolarHBondContact O-CG 3.39Å; S66-E69 PolarHBondContact O-N 3.26Å; S66-E69 VanDerWaalsContact O-N 3.16Å; S66-S77 PolarHBondContact N-OG 2.87Å; S66-R121 PolarHBondContact N-O 3.09Å; S66-R121 VanDerWaalsContact N-O 3.17Å; S66-Y200 WeakPolarHBondContact CB-O 3.34Å; S66-Y200 WeakPolarHBondContact O-CB 3.38Å; S66-Y200 PolarHBondContact OG-O 3.33Å; S66-S201 WeakPolarHBondContact CB-O 3.32Å
67	R	91.4	Very high	91.6	Very high	27 Å²	27	24.2 Å²	24.2	10%	0.102	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-56.2	-32.8	173.7	-173.6	-177.3	171.4	139.7	18.4	113.8	G65 R121 E122 C196 L198 D347	G65-R67 PolarHBondContact O-N 2.93Å; R67-R121 WeakPolarHBondContact CB-O 3.48Å; R67-R121 PolarHBondContact N-O 3.16Å; R67-E122 HydrophobicContact CB-CG 4.49Å; R67-E122 IonicContact CZ-OE1 3.88Å; R67-E122 IonicContact NH1-OE1 3.53Å; R67-E122 PolarHBondContact NH1-OE1 3.41Å; R67-C196 WeakPolarHBondContact CG-O 3.19Å; R67-C196 PolarHBondContact NE-O 3.19Å; R67-L198 HydrophobicContact CB-CD2 4.24Å; R67-L198 HydrophobicContact CG-CD2 4.03Å; R67-L198 HydrophobicContact CG-CG 4.33Å; R67-D347 IonicContact CZ-OD1 3.61Å; R67-D347 IonicContact CZ-OD2 2.72Å; R67-D347 IonicContact NH1-OD1 2.76Å; R67-D347 PolarHBondContact NH1-OD1 2.89Å; R67-D347 IonicContact NH1-OD2 2.88Å; R67-D347 VanDerWaalsContact NH2-CG 3.28Å; R67-D347 IonicContact NH2-OD1 3.69Å; R67-D347 PolarHBondContact NH2-OD1 3.31Å; R67-D347 IonicContact NH2-OD2 3.15Å; R67-D347 PolarHBondContact NH2-OD2 2.96Å
68	Y	90.9	Very high	91.8	Very high	52 Å²	52	23 Å²	23	20%	0.204	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-97.4	11	-176	-51.6	-78.8	0	0	0	112.8	K63 G65 S66 E122	K63-Y68 WeakPolarHBondContact CE-OH 3.14Å; K63-Y68 HydrophobicContact CG-CE1 4.44Å; K63-Y68 HydrophobicContact CG-CE2 4.1Å; K63-Y68 VanDerWaalsContact CG-OH 3.26Å; K63-Y68 WeakPolarHBondContact CG-OH 3.32Å; G65-Y68 PolarHBondContact O-N 2.81Å; S66-Y68 PolarHBondContact O-N 2.93Å; Y68-E122 WeakPolarHBondContact CE2-O 3.18Å
69	E	91.8	Very high	92	Very high	14 Å²	14	23 Å²	23	7%	0.065	11%	0.108	C	C	.	.			trans	-75.8	159.7	171.2	-60.4	-176.3	172.7	0	0	111	S66 R74 G75 I76 S77 Y200 Y220	S66-E69 WeakPolarHBondContact O-CB 3.36Å; S66-E69 WeakPolarHBondContact O-CG 3.39Å; S66-E69 PolarHBondContact O-N 3.26Å; S66-E69 VanDerWaalsContact O-N 3.16Å; E69-R74 WeakPolarHBondContact OE2-CA 3.37Å; E69-G75 PolarHBondContact OE2-N 3.11Å; E69-I76 HydrophobicContact CG-CG2 3.99Å; E69-I76 PolarHBondContact OE1-N 3.07Å; E69-S77 WeakPolarHBondContact OE1-CA 3.47Å; E69-S77 WeakPolarHBondContact OE1-CB 3.27Å; E69-S77 PolarHBondContact OE1-N 2.87Å; E69-S77 PolarHBondContact OE1-OG 3.1Å; E69-Y200 HydrophobicContact CB-CD2 4Å; E69-Y200 HydrophobicContact CB-CE2 4.46Å; E69-Y200 HydrophobicContact CB-CG 4.3Å; E69-Y200 WeakPolarHBondContact O-CE2 3.28Å; E69-Y220 HydrophobicContact CG-CE2 4.08Å
70	S	89	Confident	92	Very high	32 Å²	32	23.1 Å²	23.1	22%	0.224	11%	0.109	C	C	.	.			trans	-113.3	163.4	166.2	63.1	0	0	0	0	109.2	K72 N73 R74 D193	S70-K72 PolarHBondContact O-N 3.42Å; S70-N73 CarbonylContact O-C 3.57Å; S70-N73 VanDerWaalsContact O-C 3.25Å; S70-N73 WeakPolarHBondContact O-CA 3.12Å; S70-N73 PolarHBondContact O-N 2.99Å; S70-N73 PolarHBondContact OG-N 2.98Å; S70-R74 PolarHBondContact O-N 3.38Å; S70-D193 WeakPolarHBondContact CA-OD1 3.3Å; S70-D193 WeakPolarHBondContact CB-OD1 3.18Å
71	S	87.7	Confident	91.9	Very high	52 Å²	52	24.8 Å²	24.8	36%	0.364	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-53.2	-40.2	176.4	-179.1	0	0	0	0	111.5	N73 D193 Y200	S71-N73 VanDerWaalsContact C-N 3.31Å; S71-N73 PolarHBondContact O-N 3.5Å; S71-D193 WeakPolarHBondContact CB-OD1 3.49Å; S71-D193 WeakPolarHBondContact CB-OD2 3.45Å; S71-D193 PolarHBondContact N-OD1 3.42Å; S71-Y200 WeakPolarHBondContact CA-OH 3.32Å; S71-Y200 PolarHBondContact N-OH 3.41Å
72	K	88.2	Confident	91.8	Very high	158 Å²	158	27.2 Å²	27.2	69%	0.687	12%	0.124	S	C	*	.	G	3₁₀ helix	trans	-65.4	-29	174.6	-63.5	-174.2	-177.9	179	0	114	S70 R208	S70-K72 PolarHBondContact O-N 3.42Å; K72-R208 PolarHBondContact O-NH2 2.77Å
73	N	91	Very high	91.6	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.053	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-114.7	18.9	-174.6	-68.7	-8.2	0	0	0	113.2	S70 S71 G75 I76 H212	S70-N73 CarbonylContact O-C 3.57Å; S70-N73 VanDerWaalsContact O-C 3.25Å; S70-N73 WeakPolarHBondContact O-CA 3.12Å; S70-N73 PolarHBondContact O-N 2.99Å; S70-N73 PolarHBondContact OG-N 2.98Å; S71-N73 VanDerWaalsContact C-N 3.31Å; S71-N73 PolarHBondContact O-N 3.5Å; N73-G75 PolarHBondContact O-N 3.46Å; N73-I76 HydrophobicContact CB-CB 4.49Å; N73-I76 HydrophobicContact CB-CD1 4.32Å; N73-I76 HydrophobicContact CB-CG2 4.12Å; N73-I76 WeakPolarHBondContact O-CB 3.49Å; N73-I76 WeakPolarHBondContact O-CG2 3.45Å; N73-I76 PolarHBondContact O-N 3.49Å; N73-I76 VanDerWaalsContact O-N 3.13Å; N73-H212 PolarHBondContact O-CE1 3.2Å
74	R	91.4	Very high	91.5	Very high	95 Å²	95	26.6 Å²	26.6	36%	0.358	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	131.9	-178.5	78.1	-169.7	-174	175.6	-1.2	112.4	E69 S70 Y200 P205 D207 R208 H212	E69-R74 WeakPolarHBondContact OE2-CA 3.37Å; S70-R74 PolarHBondContact O-N 3.38Å; R74-Y200 HydrophobicContact CB-CD1 4.25Å; R74-Y200 HydrophobicContact CB-CE1 4.36Å; R74-P205 HydrophobicContact CG-CG 4.15Å; R74-D207 IonicContact CZ-OD2 2.67Å; R74-D207 IonicContact NE-OD2 3.72Å; R74-D207 IonicContact NH2-OD1 3.66Å; R74-D207 IonicContact NH2-OD2 3.53Å; R74-D207 PolarHBondContact NH2-OD2 3.34Å; R74-R208 HydrophobicContact CG-CG 3.74Å; R74-H212 PolarHBondContact O-CE1 2.91Å; R74-H212 VanDerWaalsContact O-CE1 3.25Å; R74-H212 PolarHBondContact O-NE2 2.91Å
75	G	93.3	Very high	91.2	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.01	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	2	-176.3	0	0	0	0	0	116.1	E69 N73 S77 H78 L79	E69-G75 PolarHBondContact OE2-N 3.11Å; N73-G75 PolarHBondContact O-N 3.46Å; G75-S77 PolarHBondContact O-N 3.33Å; G75-H78 WeakPolarHBondContact O-CB 3.49Å; G75-H78 PolarHBondContact O-N 2.93Å; G75-L79 PolarHBondContact O-N 3.04Å
76	I	94.5	Very high	91	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-69.7	-28.7	-178	-159.3	160.3	0	0	0	113.1	E69 N73 H78 L79 V80 Q216 I217 Y220	E69-I76 HydrophobicContact CG-CG2 3.99Å; E69-I76 PolarHBondContact OE1-N 3.07Å; N73-I76 HydrophobicContact CB-CB 4.49Å; N73-I76 HydrophobicContact CB-CD1 4.32Å; N73-I76 HydrophobicContact CB-CG2 4.12Å; N73-I76 WeakPolarHBondContact O-CB 3.49Å; N73-I76 WeakPolarHBondContact O-CG2 3.45Å; N73-I76 PolarHBondContact O-N 3.49Å; N73-I76 VanDerWaalsContact O-N 3.13Å; I76-H78 VanDerWaalsContact C-N 3.25Å; I76-H78 PolarHBondContact O-N 2.87Å; I76-L79 WeakPolarHBondContact O-CB 3.2Å; I76-L79 PolarHBondContact O-N 2.95Å; I76-L79 VanDerWaalsContact O-N 3.14Å; I76-V80 WeakPolarHBondContact O-CG2 3.44Å; I76-V80 PolarHBondContact O-N 2.87Å; I76-Q216 HydrophobicContact CD1-CB 4.19Å; I76-Q216 WeakPolarHBondContact CD1-O 3.22Å; I76-I217 HydrophobicContact CD1-CG1 4.13Å; I76-I217 HydrophobicContact CG1-CG1 4.37Å; I76-Y220 HydrophobicContact CD1-CG 4.37Å; I76-Y220 HydrophobicContact CG1-CD1 4.37Å; I76-Y220 HydrophobicContact CG1-CG 4.34Å; I76-Y220 HydrophobicContact CG2-CD1 3.82Å; I76-Y220 HydrophobicContact CG2-CD2 3.44Å; I76-Y220 VanDerWaalsContact CG2-CD2 3.44Å; I76-Y220 HydrophobicContact CG2-CE1 4.15Å; I76-Y220 HydrophobicContact CG2-CE2 3.77Å; I76-Y220 HydrophobicContact CG2-CG 3.47Å; I76-Y220 VanDerWaalsContact CG2-CG 3.47Å
77	S	93.3	Very high	90.9	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.4	-30.7	174.9	69.4	0	0	0	0	112.2	S66 E69 G75 R81 Y220	S66-S77 PolarHBondContact N-OG 2.87Å; E69-S77 WeakPolarHBondContact OE1-CA 3.47Å; E69-S77 WeakPolarHBondContact OE1-CB 3.27Å; E69-S77 PolarHBondContact OE1-N 2.87Å; E69-S77 PolarHBondContact OE1-OG 3.1Å; G75-S77 PolarHBondContact O-N 3.33Å; S77-R81 VanDerWaalsContact O-CB 3.28Å; S77-R81 WeakPolarHBondContact O-CB 3.26Å; S77-R81 PolarHBondContact O-N 3.23Å; S77-Y220 WeakPolarHBondContact CB-OH 3Å
78	H	94.1	Very high	90.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-70.8	-37.5	173	178.7	-150.3	0	0	0	111.5	G75 I76 R81 R82 M164 D167 S204	G75-H78 WeakPolarHBondContact O-CB 3.49Å; G75-H78 PolarHBondContact O-N 2.93Å; I76-H78 VanDerWaalsContact C-N 3.25Å; I76-H78 PolarHBondContact O-N 2.87Å; H78-R81 PolarHBondContact CD2-NH1 3.46Å; H78-R82 WeakPolarHBondContact O-CB 3.08Å; H78-R82 WeakPolarHBondContact O-CG 3.39Å; H78-R82 PolarHBondContact O-N 3.19Å; H78-M164 HydrophobicContact CB-CE 4.38Å; H78-D167 IonicContact CD2-OD2 2.66Å; H78-D167 IonicContact CE1-OD2 3.55Å; H78-D167 IonicContact NE2-OD2 3.23Å; H78-D167 PolarHBondContact NE2-OD2 2.83Å; H78-S204 WeakPolarHBondContact ND1-CB 3.44Å; H78-S204 PolarHBondContact ND1-N 2.89Å
79	L	93.7	Very high	90.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61	-52.8	171.4	-170.9	163.6	0	0	0	110.7	G75 I76 R81 R82 S83 Y151 L156 V160 Y161 M164 H212 I217	G75-L79 PolarHBondContact O-N 3.04Å; I76-L79 WeakPolarHBondContact O-CB 3.2Å; I76-L79 PolarHBondContact O-N 2.95Å; I76-L79 VanDerWaalsContact O-N 3.14Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 2.9Å; L79-R82 CarbonylContact O-C 3.55Å; L79-R82 PolarHBondContact O-N 2.9Å; L79-S83 PolarHBondContact O-N 3.32Å; L79-S83 PolarHBondContact O-OG 3.21Å; L79-Y151 HydrophobicContact CD2-CE1 4.36Å; L79-L156 HydrophobicContact CD2-CD2 4.01Å; L79-V160 HydrophobicContact CG-CG1 4.19Å; L79-Y161 HydrophobicContact CD1-CE1 3.86Å; L79-Y161 HydrophobicContact CG-CE1 4.41Å; L79-M164 HydrophobicContact CB-CE 3.93Å; L79-M164 HydrophobicContact CB-SD 3.88Å; L79-M164 HydrophobicContact CG-SD 4.13Å; L79-H212 HydrophobicContact CD1-CB 4.23Å; L79-I217 HydrophobicContact CD1-CD1 3.7Å; L79-I217 HydrophobicContact CD1-CG1 4.03Å; L79-I217 HydrophobicContact CD2-CD1 3.92Å; L79-I217 HydrophobicContact CD2-CG1 4.1Å; L79-I217 HydrophobicContact CD2-CG2 4.01Å
80	V	92.9	Very high	90.6	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-33.9	-179.5	178.9	0	0	0	0	112.3	I76 R82 S83 F84 M124 I217 Y220	I76-V80 WeakPolarHBondContact O-CG2 3.44Å; I76-V80 PolarHBondContact O-N 2.87Å; V80-R82 VanDerWaalsContact C-N 3.33Å; V80-R82 PolarHBondContact O-N 3.42Å; V80-S83 WeakPolarHBondContact CA-OG 3.41Å; V80-S83 PolarHBondContact O-OG 3.47Å; V80-F84 PolarHBondContact O-N 2.92Å; V80-M124 HydrophobicContact CB-CE 4.07Å; V80-M124 HydrophobicContact CG1-CE 3.79Å; V80-M124 HydrophobicContact CG1-SD 4.05Å; V80-I217 HydrophobicContact CG2-CG2 4.47Å; V80-Y220 HydrophobicContact CG2-CD1 3.97Å; V80-Y220 HydrophobicContact CG2-CE1 4.2Å
81	R	91.9	Very high	90.7	Very high	35 Å²	35	33.1 Å²	33.1	13%	0.132	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-38	171.5	-176.7	-163.8	-45.5	142.4	15	112.3	S77 H78 L79 C117 T119 M124 L202	S77-R81 VanDerWaalsContact O-CB 3.28Å; S77-R81 WeakPolarHBondContact O-CB 3.26Å; S77-R81 PolarHBondContact O-N 3.23Å; H78-R81 PolarHBondContact CD2-NH1 3.46Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 2.9Å; R81-C117 HydrophobicContact CG-CB 4.11Å; R81-T119 WeakPolarHBondContact CG-OG1 3.01Å; R81-T119 PolarHBondContact NE-OG1 3.4Å; R81-M124 HydrophobicContact CB-CE 3.91Å; R81-L202 PolarHBondContact NH1-O 3.05Å; R81-L202 PolarHBondContact NH2-O 3.28Å
82	R	91	Very high	90.9	Very high	51 Å²	51	34 Å²	34	19%	0.192	17%	0.17	C	C	.	.	H	α-helix	trans	-85.2	-22.6	-177.8	-74	-61.2	-170.6	-163.9	7.9	113.6	H78 L79 V80 F84 V160 M164 D167	H78-R82 WeakPolarHBondContact O-CB 3.08Å; H78-R82 WeakPolarHBondContact O-CG 3.39Å; H78-R82 PolarHBondContact O-N 3.19Å; L79-R82 CarbonylContact O-C 3.55Å; L79-R82 PolarHBondContact O-N 2.9Å; V80-R82 VanDerWaalsContact C-N 3.33Å; V80-R82 PolarHBondContact O-N 3.42Å; R82-F84 VanDerWaalsContact C-N 3.3Å; R82-V160 HydrophobicContact CB-CG1 3.89Å; R82-M164 HydrophobicContact CB-CG 4.29Å; R82-M164 HydrophobicContact CG-CG 4.13Å; R82-D167 IonicContact CZ-OD1 3.19Å; R82-D167 IonicContact CZ-OD2 2.69Å; R82-D167 IonicContact NE-OD1 2.98Å; R82-D167 IonicContact NE-OD2 2.67Å; R82-D167 PolarHBondContact NE-OD2 3.34Å; R82-D167 IonicContact NH2-OD1 3.17Å; R82-D167 PolarHBondContact NH2-OD1 3.35Å; R82-D167 IonicContact NH2-OD2 3.37Å; R82-D167 PolarHBondContact NH2-OD2 3.1Å
83	S	90.2	Very high	90.9	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-73.5	-19.1	169.5	66.7	0	0	0	0	113.3	L79 V80 G85 M86 Y151	L79-S83 PolarHBondContact O-N 3.32Å; L79-S83 PolarHBondContact O-OG 3.21Å; V80-S83 WeakPolarHBondContact CA-OG 3.41Å; V80-S83 PolarHBondContact O-OG 3.47Å; S83-G85 PolarHBondContact O-N 3.12Å; S83-M86 WeakPolarHBondContact CA-SD 3.44Å; S83-M86 WeakPolarHBondContact CB-SD 3.22Å; S83-M86 VanDerWaalsContact O-CB 3.27Å; S83-M86 WeakPolarHBondContact O-CB 3.36Å; S83-M86 WeakPolarHBondContact O-CG 3.42Å; S83-M86 PolarHBondContact O-N 3.35Å; S83-Y151 WeakPolarHBondContact OG-CE1 3.15Å
84	F	89.5	Confident	90.8	Very high	18 Å²	18	32.1 Å²	32.1	8%	0.079	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	111.6	178.5	-176.1	-112.5	0	0	0	111.8	V80 R82 K115 K116 C117 Y126 L142 M145 A146	V80-F84 PolarHBondContact O-N 2.92Å; R82-F84 VanDerWaalsContact C-N 3.3Å; F84-K115 HydrophobicContact CD1-CB 4.12Å; F84-K115 HydrophobicContact CE1-CB 3.81Å; F84-K116 VanDerWaalsContact CD1-C 3.48Å; F84-K116 VanDerWaalsContact CE1-C 3.42Å; F84-K116 VanDerWaalsContact CE1-O 3.22Å; F84-K116 WeakPolarHBondContact CE1-O 3.31Å; F84-C117 HydrophobicContact CB-CB 3.76Å; F84-C117 HydrophobicContact CD1-CB 3.83Å; F84-C117 HydrophobicContact CG-CB 3.89Å; F84-Y126 HydrophobicContact CB-CE1 4.25Å; F84-Y126 HydrophobicContact CD1-CD1 4.14Å; F84-Y126 AromaticContact CD2-CD1 3.38Å; F84-Y126 HydrophobicContact CD2-CD1 3.38Å; F84-Y126 AromaticContact CD2-CE1 3.52Å; F84-Y126 HydrophobicContact CD2-CE1 3.52Å; F84-Y126 HydrophobicContact CE1-CD1 4.11Å; F84-Y126 AromaticContact CE2-CD1 3.36Å; F84-Y126 HydrophobicContact CE2-CD1 3.36Å; F84-Y126 AromaticContact CE2-CE1 3.95Å; F84-Y126 HydrophobicContact CE2-CE1 3.95Å; F84-Y126 HydrophobicContact CE2-CG 4.14Å; F84-Y126 AromaticContact CG-CD1 3.77Å; F84-Y126 HydrophobicContact CG-CD1 3.77Å; F84-Y126 AromaticContact CG-CE1 3.9Å; F84-Y126 HydrophobicContact CG-CE1 3.9Å; F84-Y126 AromaticContact CZ-CD1 3.73Å; F84-Y126 HydrophobicContact CZ-CD1 3.73Å; F84-Y126 HydrophobicContact CZ-CG 4.35Å; F84-L142 HydrophobicContact CZ-CD1 3.82Å; F84-M145 HydrophobicContact CD2-CG 4.26Å; F84-M145 HydrophobicContact CE1-CE 4.33Å; F84-M145 HydrophobicContact CE2-CE 3.69Å; F84-M145 HydrophobicContact CE2-CG 3.99Å; F84-M145 HydrophobicContact CE2-SD 4.26Å; F84-M145 HydrophobicContact CZ-CE 3.55Å; F84-M145 HydrophobicContact CZ-SD 4.5Å; F84-A146 HydrophobicContact CE2-CB 4.42Å
85	G	85.4	Confident	90.8	Very high	18 Å²	18	31.1 Å²	31.1	19%	0.186	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	118.6	-11	-173.7	0	0	0	0	0	115.7	S83 S93 K115	S83-G85 PolarHBondContact O-N 3.12Å; G85-S93 WeakPolarHBondContact O-CB 3.5Å; G85-K115 VanDerWaalsContact CA-CD 3.44Å; G85-K115 PolarHBondContact O-NZ 2.89Å
86	M	86.7	Confident	90.6	Very high	9 Å²	9	31.1 Å²	31.1	4%	0.044	18%	0.175	C	C	.	.	S	Bend	trans	-62.8	176.7	169.9	-70.2	174	90.2	0	0	112.1	S83 L96 E155 L156 V160	S83-M86 WeakPolarHBondContact CA-SD 3.44Å; S83-M86 WeakPolarHBondContact CB-SD 3.22Å; S83-M86 VanDerWaalsContact O-CB 3.27Å; S83-M86 WeakPolarHBondContact O-CB 3.36Å; S83-M86 WeakPolarHBondContact O-CG 3.42Å; S83-M86 PolarHBondContact O-N 3.35Å; M86-L96 VanDerWaalsContact O-CD1 3.26Å; M86-L96 WeakPolarHBondContact O-CD1 3.45Å; M86-E155 HydrophobicContact CE-CB 3.47Å; M86-E155 VanDerWaalsContact CE-CB 3.47Å; M86-E155 HydrophobicContact CE-CG 3.5Å; M86-E155 VanDerWaalsContact CE-CG 3.5Å; M86-E155 HydrophobicContact CG-CG 4.35Å; M86-L156 HydrophobicContact CE-CD2 3.88Å; M86-L156 HydrophobicContact CE-CG 3.98Å; M86-L156 HydrophobicContact SD-CD2 4.06Å; M86-V160 HydrophobicContact CE-CG2 4.16Å; M86-V160 HydrophobicContact CG-CG2 4.5Å; M86-V160 HydrophobicContact SD-CG2 3.53Å; M86-V160 VanDerWaalsContact SD-CG2 3.53Å
87	S	90.3	Very high	90.3	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.063	19%	0.187	C	C	.	.			trans	-63.2	149	-178.8	-52.7	0	0	0	0	112.5	S93 C150 E155	S87-S93 PolarHBondContact OG-N 3.14Å; S87-S93 VanDerWaalsContact OG-N 3.09Å; S87-C150 WeakPolarHBondContact O-CB 3.26Å; S87-C150 PolarHBondContact O-N 2.89Å; S87-E155 PolarHBondContact OG-OE2 3.23Å
88	T	90.3	Very high	90.2	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.037	22%	0.215	C	C	.	.			trans	-113.6	170.6	166.8	63.8	0	0	0	0	109.3	E90 L91 L96 M145 C150	T88-E90 PolarHBondContact O-N 2.87Å; T88-L91 PolarHBondContact N-O 2.87Å; T88-L91 PolarHBondContact O-N 3.27Å; T88-L91 PolarHBondContact OG1-N 2.99Å; T88-L91 PolarHBondContact OG1-O 3.23Å; T88-L96 HydrophobicContact CG2-CD1 4.11Å; T88-M145 HydrophobicContact CG2-CB 4.06Å; T88-M145 HydrophobicContact CG2-CG 4.45Å; T88-C150 VanDerWaalsContact C-SG 3.59Å
89	P	89.3	Confident	90	Very high	99 Å²	99	43.4 Å²	43.4	64%	0.643	23%	0.228	S	C	*	.	S	Bend	trans	-57.9	-31.7	176.6	-26	34.9	0	0	0	113.4	S148 C150	P89-S148 VanDerWaalsContact CD-O 3.26Å; P89-S148 WeakPolarHBondContact CD-O 3.41Å; P89-C150 WeakPolarHBondContact CD-SG 3.43Å; P89-C150 VanDerWaalsContact N-SG 3.43Å
90	E	88.7	Confident	89.8	Confident	107 Å²	107	43.4 Å²	43.4	50%	0.5	23%	0.228	S	C	.	.	S	Bend	trans	-84.2	-34.5	-179.5	-60.4	179.4	171.6	0	0	113.4	T88	T88-E90 PolarHBondContact O-N 2.87Å
91	L	90.6	Very high	89.7	Confident	22 Å²	22	49 Å²	49	12%	0.115	25%	0.254	C	S	.	.			trans	-145.9	125.8	-165.8	-66.3	170.9	0	0	0	112.2	T88 N95 L96 L141	T88-L91 PolarHBondContact N-O 2.87Å; T88-L91 PolarHBondContact O-N 3.27Å; T88-L91 PolarHBondContact OG1-N 2.99Å; T88-L91 PolarHBondContact OG1-O 3.23Å; L91-N95 HydrophobicContact CB-CB 4.5Å; L91-N95 HydrophobicContact CD2-CB 4.13Å; L91-L96 HydrophobicContact CB-CD1 4.48Å; L91-L96 HydrophobicContact CB-CD2 3.78Å; L91-L96 HydrophobicContact CB-CG 3.69Å; L91-L96 HydrophobicContact CD1-CD2 3.67Å; L91-L96 HydrophobicContact CD1-CG 4.4Å; L91-L96 HydrophobicContact CG-CD2 4.39Å; L91-L141 HydrophobicContact CD1-CD2 3.43Å; L91-L141 VanDerWaalsContact CD1-CD2 3.43Å
92	T	91.4	Very high	89.6	Confident	69 Å²	69	53.4 Å²	53.4	42%	0.423	28%	0.276	S	S	.	.			trans	-60.7	155.6	171.1	65.6	0	0	0	0	111.8	V94 N95 L96	T92-V94 PolarHBondContact O-N 3.09Å; T92-V94 VanDerWaalsContact O-N 3.14Å; T92-N95 PolarHBondContact O-N 3.31Å; T92-N95 WeakPolarHBondContact OG1-CB 3.43Å; T92-N95 PolarHBondContact OG1-N 2.7Å; T92-L96 PolarHBondContact O-N 3.16Å
93	S	88.4	Confident	89.6	Confident	26 Å²	26	51.8 Å²	51.8	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-55.3	-32.9	177.4	53.2	0	0	0	0	113.4	G85 S87 T97 E155	G85-S93 WeakPolarHBondContact O-CB 3.5Å; S87-S93 PolarHBondContact OG-N 3.14Å; S87-S93 VanDerWaalsContact OG-N 3.09Å; S93-T97 WeakPolarHBondContact O-CB 3.39Å; S93-T97 PolarHBondContact O-N 2.71Å; S93-T97 VanDerWaalsContact O-N 3.1Å; S93-T97 PolarHBondContact O-OG1 3.02Å; S93-E155 WeakPolarHBondContact CB-OE1 3.46Å; S93-E155 PolarHBondContact OG-OE1 3.1Å
94	V	89.7	Confident	89.4	Confident	104 Å²	104	54.4 Å²	54.4	63%	0.63	30%	0.298	S	S	*	.	H	α-helix	trans	-66.9	-48.7	172.3	-178.6	0	0	0	0	111.7	T92 T97 R98	T92-V94 PolarHBondContact O-N 3.09Å; T92-V94 VanDerWaalsContact O-N 3.14Å; V94-T97 WeakPolarHBondContact O-CB 3.37Å; V94-T97 PolarHBondContact O-N 2.86Å; V94-R98 PolarHBondContact O-N 3.35Å
95	N	91.4	Very high	89.1	Confident	74 Å²	74	54 Å²	54	40%	0.396	30%	0.298	S	S	.	.	H	α-helix	trans	-66.2	-41.4	-179.6	-74.2	-8.3	0	0	0	112.1	L91 T92 T97 R98 H99	L91-N95 HydrophobicContact CB-CB 4.5Å; L91-N95 HydrophobicContact CD2-CB 4.13Å; T92-N95 PolarHBondContact O-N 3.31Å; T92-N95 WeakPolarHBondContact OG1-CB 3.43Å; T92-N95 PolarHBondContact OG1-N 2.7Å; N95-T97 VanDerWaalsContact C-N 3.3Å; N95-T97 PolarHBondContact O-N 3.23Å; N95-R98 PolarHBondContact O-N 3.21Å; N95-H99 PolarHBondContact O-CD2 2.99Å; N95-H99 VanDerWaalsContact O-CD2 3.31Å; N95-H99 PolarHBondContact O-N 2.75Å
96	L	89.8	Confident	88.4	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-55.6	-47.3	170.9	-72.1	167.1	0	0	0	111	M86 T88 L91 T92 R98 H99 F100 L141 M145	M86-L96 VanDerWaalsContact O-CD1 3.26Å; M86-L96 WeakPolarHBondContact O-CD1 3.45Å; T88-L96 HydrophobicContact CG2-CD1 4.11Å; L91-L96 HydrophobicContact CB-CD1 4.48Å; L91-L96 HydrophobicContact CB-CD2 3.78Å; L91-L96 HydrophobicContact CB-CG 3.69Å; L91-L96 HydrophobicContact CD1-CD2 3.67Å; L91-L96 HydrophobicContact CD1-CG 4.4Å; L91-L96 HydrophobicContact CG-CD2 4.39Å; T92-L96 PolarHBondContact O-N 3.16Å; L96-R98 VanDerWaalsContact C-N 3.34Å; L96-R98 PolarHBondContact O-N 2.88Å; L96-H99 PolarHBondContact O-N 3.34Å; L96-F100 HydrophobicContact CB-CE2 4.42Å; L96-F100 WeakPolarHBondContact O-CD2 3.49Å; L96-F100 PolarHBondContact O-N 3.33Å; L96-F100 VanDerWaalsContact O-N 3.11Å; L96-L141 HydrophobicContact CD2-CD2 4.13Å; L96-M145 HydrophobicContact CD1-CG 4.46Å; L96-M145 HydrophobicContact CD1-SD 4.17Å
97	T	88.3	Confident	86.8	Confident	44 Å²	44	61.6 Å²	61.6	27%	0.27	32%	0.322	S	S	.	.	H	α-helix	trans	-61.1	-43.1	179.4	-61.3	0	0	0	0	111.5	S93 V94 N95 F100 Q101 I114	S93-T97 WeakPolarHBondContact O-CB 3.39Å; S93-T97 PolarHBondContact O-N 2.71Å; S93-T97 VanDerWaalsContact O-N 3.1Å; S93-T97 PolarHBondContact O-OG1 3.02Å; V94-T97 WeakPolarHBondContact O-CB 3.37Å; V94-T97 PolarHBondContact O-N 2.86Å; N95-T97 VanDerWaalsContact C-N 3.3Å; N95-T97 PolarHBondContact O-N 3.23Å; T97-F100 PolarHBondContact O-N 3.44Å; T97-Q101 VanDerWaalsContact O-CG 3.32Å; T97-Q101 WeakPolarHBondContact O-CG 3.4Å; T97-Q101 PolarHBondContact O-N 3.47Å; T97-I114 HydrophobicContact CG2-CD1 3.67Å
98	R	90.2	Very high	84.2	Confident	156 Å²	156	64.9 Å²	64.9	59%	0.589	34%	0.336	S	S	*	.	H	α-helix	trans	-62.3	-44.4	176.2	-171.7	176.1	-174.9	163.6	2.8	112.5	V94 N95 L96 F100 Q101 Q102	V94-R98 PolarHBondContact O-N 3.35Å; N95-R98 PolarHBondContact O-N 3.21Å; L96-R98 VanDerWaalsContact C-N 3.34Å; L96-R98 PolarHBondContact O-N 2.88Å; R98-F100 PolarHBondContact O-N 3.2Å; R98-Q101 PolarHBondContact O-N 3.44Å; R98-Q102 WeakPolarHBondContact O-CG 3.34Å; R98-Q102 PolarHBondContact O-N 2.99Å
99	H	90.9	Very high	81.4	Confident	58 Å²	58	66.6 Å²	66.6	27%	0.269	36%	0.356	S	S	.	.	H	α-helix	trans	-58.6	-46.8	175.8	-81.8	-58.1	0	0	0	112.1	N95 L96 Q101 Q102 M103 L141	N95-H99 PolarHBondContact O-CD2 2.99Å; N95-H99 VanDerWaalsContact O-CD2 3.31Å; N95-H99 PolarHBondContact O-N 2.75Å; L96-H99 PolarHBondContact O-N 3.34Å; H99-Q101 PolarHBondContact O-N 2.96Å; H99-Q102 PolarHBondContact O-N 2.88Å; H99-M103 WeakPolarHBondContact O-CE 3.47Å; H99-M103 WeakPolarHBondContact O-CG 3.18Å; H99-M103 PolarHBondContact O-N 2.86Å; H99-L141 HydrophobicContact CB-CD1 3.85Å
100	F	89.3	Confident	78.8	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-66	-37.5	178.5	-68.1	-57.9	0	0	0	112.7	L96 T97 R98 M103 G104 A105 I114 K115 I128 L141 M145	L96-F100 HydrophobicContact CB-CE2 4.42Å; L96-F100 WeakPolarHBondContact O-CD2 3.49Å; L96-F100 PolarHBondContact O-N 3.33Å; L96-F100 VanDerWaalsContact O-N 3.11Å; T97-F100 PolarHBondContact O-N 3.44Å; R98-F100 PolarHBondContact O-N 3.2Å; F100-M103 HydrophobicContact CD1-CE 3.48Å; F100-M103 VanDerWaalsContact CD1-CE 3.48Å; F100-M103 HydrophobicContact CE1-CE 3.91Å; F100-M103 HydrophobicContact CG-CE 4.33Å; F100-M103 PolarHBondContact O-N 2.86Å; F100-G104 PolarHBondContact O-N 2.64Å; F100-A105 HydrophobicContact CB-CB 4.15Å; F100-A105 HydrophobicContact CD1-CB 4.05Å; F100-A105 WeakPolarHBondContact O-CB 3.26Å; F100-A105 PolarHBondContact O-N 3.04Å; F100-I114 HydrophobicContact CB-CG2 3.39Å; F100-I114 HydrophobicContact CG-CG2 4.29Å; F100-K115 HydrophobicContact CE2-CD 4.48Å; F100-I128 HydrophobicContact CD1-CD1 3.37Å; F100-I128 HydrophobicContact CE1-CD1 3.19Å; F100-I128 HydrophobicContact CG-CD1 4.43Å; F100-I128 HydrophobicContact CZ-CD1 4.13Å; F100-L141 HydrophobicContact CE1-CB 3.82Å; F100-L141 HydrophobicContact CE1-CD1 4.31Å; F100-L141 HydrophobicContact CE2-CB 4.37Å; F100-L141 HydrophobicContact CZ-CB 3.46Å; F100-L141 VanDerWaalsContact CZ-CB 3.46Å; F100-L141 HydrophobicContact CZ-CD1 4.37Å; F100-M145 HydrophobicContact CE2-CE 3.77Å; F100-M145 HydrophobicContact CE2-SD 4.36Å; F100-M145 HydrophobicContact CZ-CE 3.87Å
101	Q	89.5	Confident	76.4	Confident	120 Å²	120	72 Å²	72	56%	0.561	37%	0.372	S	S	*	.	H	α-helix	trans	-61.1	-44.8	172	-73.4	170.3	-25.9	0	0	112.3	T97 R98 H99 M103 G104 I114	T97-Q101 VanDerWaalsContact O-CG 3.32Å; T97-Q101 WeakPolarHBondContact O-CG 3.4Å; T97-Q101 PolarHBondContact O-N 3.47Å; R98-Q101 PolarHBondContact O-N 3.44Å; H99-Q101 PolarHBondContact O-N 2.96Å; Q101-M103 PolarHBondContact O-N 3.34Å; Q101-G104 PolarHBondContact O-N 3.33Å; Q101-G104 VanDerWaalsContact O-N 3.09Å; Q101-I114 HydrophobicContact CG-CD1 3.72Å
102	Q	91.3	Very high	73.9	Confident	128 Å²	128	83.5 Å²	83.5	60%	0.598	41%	0.414	S	S	*	.	H	α-helix	trans	-65.1	-35.7	179.4	-74.3	174.9	-44.4	0	0	113.2	R98 H99 G104	R98-Q102 WeakPolarHBondContact O-CG 3.34Å; R98-Q102 PolarHBondContact O-N 2.99Å; H99-Q102 PolarHBondContact O-N 2.88Å; Q102-G104 PolarHBondContact O-N 2.95Å
103	M	90.3	Very high	71.8	Confident	16 Å²	16	84.7 Å²	84.7	8%	0.079	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-2.5	174.4	-65.5	-177.3	-64.7	0	0	113.4	H99 F100 Q101 A105 V130 F134 R137 L141	H99-M103 WeakPolarHBondContact O-CE 3.47Å; H99-M103 WeakPolarHBondContact O-CG 3.18Å; H99-M103 PolarHBondContact O-N 2.86Å; F100-M103 HydrophobicContact CD1-CE 3.48Å; F100-M103 VanDerWaalsContact CD1-CE 3.48Å; F100-M103 HydrophobicContact CE1-CE 3.91Å; F100-M103 HydrophobicContact CG-CE 4.33Å; F100-M103 PolarHBondContact O-N 2.86Å; Q101-M103 PolarHBondContact O-N 3.34Å; M103-A105 PolarHBondContact O-N 2.92Å; M103-V130 HydrophobicContact CB-CG2 4.01Å; M103-F134 HydrophobicContact CB-CB 4.16Å; M103-F134 HydrophobicContact CB-CD2 3.99Å; M103-F134 HydrophobicContact CB-CG 4.04Å; M103-F134 HydrophobicContact CG-CB 4.08Å; M103-F134 HydrophobicContact CG-CD1 4.07Å; M103-F134 HydrophobicContact CG-CD2 4.29Å; M103-F134 HydrophobicContact CG-CG 3.9Å; M103-F134 HydrophobicContact SD-CB 4Å; M103-F134 HydrophobicContact SD-CG 4.4Å; M103-R137 HydrophobicContact SD-CB 4.14Å; M103-R137 HydrophobicContact SD-CG 3.96Å; M103-L141 HydrophobicContact CE-CD1 3.94Å
104	G	86.4	Confident	69.9	Low	58 Å²	58	85.8 Å²	85.8	60%	0.598	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	22.5	-172	0	0	0	0	0	113.3	F100 Q101 Q102 R106	F100-G104 PolarHBondContact O-N 2.64Å; Q101-G104 PolarHBondContact O-N 3.33Å; Q101-G104 VanDerWaalsContact O-N 3.09Å; Q102-G104 PolarHBondContact O-N 2.95Å; G104-R106 PolarHBondContact O-N 3.36Å
105	A	82.2	Confident	68.2	Low	9 Å²	9	81.9 Å²	81.9	7%	0.074	39%	0.391	C	S	.	.			trans	-66.8	119	-174.2	0	0	0	0	0	110.6	F100 M103 I128 D129 V130	F100-A105 HydrophobicContact CB-CB 4.15Å; F100-A105 HydrophobicContact CD1-CB 4.05Å; F100-A105 WeakPolarHBondContact O-CB 3.26Å; F100-A105 PolarHBondContact O-N 3.04Å; M103-A105 PolarHBondContact O-N 2.92Å; A105-I128 HydrophobicContact CB-CD1 3.93Å; A105-I128 HydrophobicContact CB-CG1 4.13Å; A105-D129 CarbonylContact C-O 3.52Å; A105-D129 VanDerWaalsContact CA-O 3.24Å; A105-D129 WeakPolarHBondContact CA-O 3.31Å; A105-V130 HydrophobicContact CB-CB 4.37Å; A105-V130 HydrophobicContact CB-CG2 4.04Å
106	R	70.9	Confident	67	Low	176 Å²	176	81.5 Å²	81.5	66%	0.664	39%	0.386	S	S	*	.	B	Isolated β-bridge	trans	-96.2	149.5	173.5	-177.1	173.1	-173.1	159.4	1.3	108.5	G104 D129	G104-R106 PolarHBondContact O-N 3.36Å; R106-D129 HydrophobicContact CB-CB 4.46Å; R106-D129 PolarHBondContact N-O 3.04Å; R106-D129 CarbonylContact O-C 3.54Å; R106-D129 WeakPolarHBondContact O-CA 3.25Å; R106-D129 WeakPolarHBondContact O-CB 3.47Å; R106-D129 PolarHBondContact O-N 3.17Å
107	V	53.3	Low	66.4	Low	11 Å²	11	82.4 Å²	82.4	7%	0.067	39%	0.393	C	S	.	.			trans	-130.5	104.8	166	-166.3	0	0	0	0	108.7	G109 I114 K116 T127 I128	V107-G109 PolarHBondContact O-N 3.17Å; V107-I114 WeakPolarHBondContact CG2-O 3.34Å; V107-K116 HydrophobicContact CG1-CB 3.48Å; V107-K116 VanDerWaalsContact CG1-CB 3.48Å; V107-K116 HydrophobicContact CG1-CD 3.83Å; V107-K116 HydrophobicContact CG1-CG 3.58Å; V107-T127 WeakPolarHBondContact CG1-O 3.23Å; V107-I128 HydrophobicContact CG2-CB 4.39Å; V107-I128 HydrophobicContact CG2-CG1 4.13Å
108	Q	36.5	Very low	66.2	Low	78 Å²	78	83.3 Å²	83.3	36%	0.364	40%	0.4	S	S	.	.			trans	-71.1	80.5	-157	-173.9	-160.6	2.4	0	0	115.3	K116 D129	Q108-K116 WeakPolarHBondContact O-CE 3.48Å; Q108-K116 PolarHBondContact O-NZ 3.24Å; Q108-D129 WeakPolarHBondContact CB-OD2 3.49Å
109	G	31.3	Very low	66	Low	43 Å²	43	76.5 Å²	76.5	44%	0.443	38%	0.376	S	S	.	.	S	Bend	trans	-152.7	178	178.7	0	0	0	0	0	117.7	V107 Q111	V107-G109 PolarHBondContact O-N 3.17Å; G109-Q111 VanDerWaalsContact C-N 3.33Å; G109-Q111 PolarHBondContact O-N 2.69Å
110	Q	33.5	Very low	65.8	Low	203 Å²	203	77.4 Å²	77.4	95%	0.949	38%	0.382	S	S	*	.	S	Bend	trans	-82.7	2.2	-165.4	-159.6	167.5	-9.9	0	0	115.5
111	Q	38.2	Very low	66	Low	115 Å²	115	77.9 Å²	77.9	54%	0.537	38%	0.384	S	S	.	.	S	Bend	trans	-122.2	134.5	164.8	-67.8	-168.7	-4.3	0	0	109.9	G109 K113	G109-Q111 VanDerWaalsContact C-N 3.33Å; G109-Q111 PolarHBondContact O-N 2.69Å; Q111-K113 PolarHBondContact O-N 3.12Å
112	R	38.4	Very low	66	Low	265 Å²	265	72.6 Å²	72.6	100%	1	36%	0.36	S	S	*	.			trans	-66.5	64.6	-176.7	-73.5	175.5	152.4	-173	-6	112.8
113	K	48.6	Very low	66.1	Low	93 Å²	93	66.8 Å²	66.8	40%	0.404	33%	0.332	S	S	.	.			trans	-116.9	143.5	165	-74.2	-166.1	175.9	-168.7	0	109.4	Q111 K115	Q111-K113 PolarHBondContact O-N 3.12Å; K113-K115 PolarHBondContact O-N 2.78Å
114	I	48.5	Very low	66.2	Low	50 Å²	50	66 Å²	66	26%	0.256	33%	0.329	S	S	.	.	S	Bend	trans	-72.6	10.8	178	-64	147.7	0	0	0	111.5	T97 F100 Q101 V107	T97-I114 HydrophobicContact CG2-CD1 3.67Å; F100-I114 HydrophobicContact CB-CG2 3.39Å; F100-I114 HydrophobicContact CG-CG2 4.29Å; Q101-I114 HydrophobicContact CG-CD1 3.72Å; V107-I114 WeakPolarHBondContact CG2-O 3.34Å
115	K	52.4	Low	66.6	Low	22 Å²	22	64 Å²	64	10%	0.096	30%	0.304	C	S	.	.			trans	-153.3	142.5	-169.1	-60.1	178	-174.5	-179	0	109.6	F84 G85 F100 K113 M145	F84-K115 HydrophobicContact CD1-CB 4.12Å; F84-K115 HydrophobicContact CE1-CB 3.81Å; G85-K115 VanDerWaalsContact CA-CD 3.44Å; G85-K115 PolarHBondContact O-NZ 2.89Å; F100-K115 HydrophobicContact CE2-CD 4.48Å; K113-K115 PolarHBondContact O-N 2.78Å; K115-M145 HydrophobicContact CD-CE 3.87Å; K115-M145 HydrophobicContact CD-SD 3.58Å; K115-M145 VanDerWaalsContact CD-SD 3.58Å; K115-M145 VanDerWaalsContact CE-SD 3.55Å; K115-M145 HydrophobicContact CG-CE 4.39Å; K115-M145 PolarHBondContact NZ-SD 2.82Å
116	K	67.8	Low	67	Low	65 Å²	65	63.8 Å²	63.8	28%	0.283	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.3	172.2	-86.1	-178.8	175.8	-174	0	111	F84 V107 Q108 T127	F84-K116 VanDerWaalsContact CD1-C 3.48Å; F84-K116 VanDerWaalsContact CE1-C 3.42Å; F84-K116 VanDerWaalsContact CE1-O 3.22Å; F84-K116 WeakPolarHBondContact CE1-O 3.31Å; V107-K116 HydrophobicContact CG1-CB 3.48Å; V107-K116 VanDerWaalsContact CG1-CB 3.48Å; V107-K116 HydrophobicContact CG1-CD 3.83Å; V107-K116 HydrophobicContact CG1-CG 3.58Å; Q108-K116 WeakPolarHBondContact O-CE 3.48Å; Q108-K116 PolarHBondContact O-NZ 3.24Å; K116-T127 PolarHBondContact O-N 2.83Å
117	C	75.8	Confident	68	Low	21 Å²	21	55.7 Å²	55.7	14%	0.142	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.8	147.1	-176.8	0	0	0	0	107	R81 F84 M124 I125 Y126	R81-C117 HydrophobicContact CG-CB 4.11Å; F84-C117 HydrophobicContact CB-CB 3.76Å; F84-C117 HydrophobicContact CD1-CB 3.83Å; F84-C117 HydrophobicContact CG-CB 3.89Å; C117-M124 VanDerWaalsContact SG-CE 3.54Å; C117-I125 WeakPolarHBondContact CA-O 3.34Å; C117-Y126 HydrophobicContact CB-CD1 3.76Å; C117-Y126 HydrophobicContact CB-CE1 3.75Å; C117-Y126 WeakPolarHBondContact SG-CE1 3.42Å
118	S	85.2	Confident	69.7	Low	62 Å²	62	55.3 Å²	55.3	43%	0.434	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	144.3	162	-165.8	0	0	0	0	107.9	I125	S118-I125 PolarHBondContact N-O 3.16Å; S118-I125 PolarHBondContact O-N 2.82Å
119	T	85.6	Confident	72.2	Confident	14 Å²	14	52.2 Å²	52.2	9%	0.086	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.7	174.7	-49.5	0	0	0	0	108.9	R81 H123 M124	R81-T119 WeakPolarHBondContact CG-OG1 3.01Å; R81-T119 PolarHBondContact NE-OG1 3.4Å; T119-H123 WeakPolarHBondContact CA-O 3.27Å; T119-M124 HydrophobicContact CG2-CG 3.9Å
120	I	87.7	Confident	74.9	Confident	77 Å²	77	50.2 Å²	50.2	40%	0.395	23%	0.234	S	C	.	.			trans	-102.6	172.4	160.6	56.5	174.9	0	0	0	108.1	E122 H123	I120-E122 PolarHBondContact O-N 2.86Å; I120-H123 HydrophobicContact CD1-CB 4.01Å; I120-H123 HydrophobicContact CG1-CB 3.79Å; I120-H123 WeakPolarHBondContact CG1-O 3.22Å; I120-H123 PolarHBondContact N-O 2.85Å; I120-H123 PolarHBondContact O-N 3.33Å
121	R	91.7	Very high	77.5	Confident	9 Å²	9	42.3 Å²	42.3	3%	0.034	20%	0.203	C	C	.	.	S	Bend	trans	-55.2	-32.4	-173.9	-70.9	179.6	146.4	63.4	16	112.7	G65 S66 R67 E182 H185 L198 Y200 L202 Y345	G65-R121 CarbonylContact C-O 3.52Å; G65-R121 VanDerWaalsContact C-O 3.22Å; G65-R121 WeakPolarHBondContact CA-O 3.48Å; S66-R121 PolarHBondContact N-O 3.09Å; S66-R121 VanDerWaalsContact N-O 3.17Å; R67-R121 WeakPolarHBondContact CB-O 3.48Å; R67-R121 PolarHBondContact N-O 3.16Å; R121-E182 IonicContact CZ-OE1 2.7Å; R121-E182 IonicContact CZ-OE2 2.72Å; R121-E182 IonicContact NH1-OE1 3.75Å; R121-E182 PolarHBondContact NH1-OE1 3.02Å; R121-E182 IonicContact NH1-OE2 3.69Å; R121-E182 PolarHBondContact NH1-OE2 3.16Å; R121-E182 VanDerWaalsContact NH2-CD 3.33Å; R121-E182 IonicContact NH2-OE1 3.3Å; R121-E182 PolarHBondContact NH2-OE1 2.99Å; R121-E182 IonicContact NH2-OE2 2.71Å; R121-E182 PolarHBondContact NH2-OE2 3.14Å; R121-H185 VanDerWaalsContact CZ-CG 3.43Å; R121-H185 PolarHBondContact NE-CD2 2.92Å; R121-L198 HydrophobicContact CB-CD2 4.16Å; R121-L198 PolarHBondContact NE-O 2.87Å; R121-Y200 PolarHBondContact NH2-O 3.18Å; R121-L202 HydrophobicContact CG-CD2 3.88Å; R121-L202 HydrophobicContact CG-CG 4.19Å; R121-Y345 HydrophobicContact CB-CE1 4.09Å; R121-Y345 HydrophobicContact CG-CE1 4.46Å
122	E	91.4	Very high	79.9	Confident	10 Å²	10	38.3 Å²	38.3	5%	0.047	19%	0.187	C	C	.	.	S	Bend	trans	-109	-14.5	-174.2	-54.8	-172.4	114.2	0	0	115.2	S64 R67 Y68 I120 L198 Y345 I346	S64-E122 PolarHBondContact N-O 2.83Å; S64-E122 CarbonylContact O-C 3.5Å; R67-E122 HydrophobicContact CB-CG 4.49Å; R67-E122 IonicContact CZ-OE1 3.88Å; R67-E122 IonicContact NH1-OE1 3.53Å; R67-E122 PolarHBondContact NH1-OE1 3.41Å; Y68-E122 WeakPolarHBondContact CE2-O 3.18Å; I120-E122 PolarHBondContact O-N 2.86Å; E122-L198 HydrophobicContact CG-CD2 4.26Å; E122-Y345 HydrophobicContact CG-CD1 4.01Å; E122-Y345 VanDerWaalsContact OE2-CA 3.23Å; E122-Y345 WeakPolarHBondContact OE2-CA 3.26Å; E122-I346 PolarHBondContact OE1-N 3.08Å; E122-I346 VanDerWaalsContact OE1-N 3.1Å; E122-I346 PolarHBondContact OE2-N 3.1Å
123	H	92.6	Very high	82.2	Confident	5 Å²	5	31.2 Å²	31.2	2%	0.023	17%	0.169	C	C	.	.			trans	-142.2	137	-173.5	-57.5	-80.6	0	0	0	113.7	V61 V62 S64 T119 I120 I125	V61-H123 HydrophobicContact CG1-CB 4.07Å; V62-H123 CarbonylContact O-C 3.57Å; V62-H123 VanDerWaalsContact O-CA 3.27Å; V62-H123 WeakPolarHBondContact O-CA 3.43Å; S64-H123 CarbonylContact O-C 3.51Å; S64-H123 WeakPolarHBondContact O-CA 3.24Å; S64-H123 PolarHBondContact O-N 2.72Å; T119-H123 WeakPolarHBondContact CA-O 3.27Å; I120-H123 HydrophobicContact CD1-CB 4.01Å; I120-H123 HydrophobicContact CG1-CB 3.79Å; I120-H123 WeakPolarHBondContact CG1-O 3.22Å; I120-H123 PolarHBondContact N-O 2.85Å; I120-H123 PolarHBondContact O-N 3.33Å; H123-I125 HydrophobicContact CB-CG1 4.42Å
124	M	93	Very high	84.3	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.8	165.4	-61.9	-170.1	82.2	0	0	108.5	V61 V62 S64 V80 R81 C117 T119 Y126	V61-M124 WeakPolarHBondContact CA-O 3.4Å; V62-M124 PolarHBondContact N-O 3.14Å; V62-M124 PolarHBondContact O-N 3.19Å; S64-M124 WeakPolarHBondContact O-CG 3.48Å; S64-M124 PolarHBondContact O-N 2.67Å; V80-M124 HydrophobicContact CB-CE 4.07Å; V80-M124 HydrophobicContact CG1-CE 3.79Å; V80-M124 HydrophobicContact CG1-SD 4.05Å; R81-M124 HydrophobicContact CB-CE 3.91Å; C117-M124 VanDerWaalsContact SG-CE 3.54Å; T119-M124 HydrophobicContact CG2-CG 3.9Å; M124-Y126 HydrophobicContact CB-CE2 3.95Å
125	I	93.4	Very high	86.3	Confident	16 Å²	16	28.2 Å²	28.2	8%	0.082	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	103.5	-171.8	-57.1	163.1	0	0	0	107.8	V61 C117 S118 H123 T127 V407	V61-I125 HydrophobicContact CG1-CG1 4.25Å; V61-I125 HydrophobicContact CG2-CG1 4.31Å; V61-I125 HydrophobicContact CG2-CG2 4.33Å; C117-I125 WeakPolarHBondContact CA-O 3.34Å; S118-I125 PolarHBondContact N-O 3.16Å; S118-I125 PolarHBondContact O-N 2.82Å; H123-I125 HydrophobicContact CB-CG1 4.42Å; I125-T127 HydrophobicContact CG2-CG2 4.01Å; I125-V407 HydrophobicContact CD1-CG1 3.78Å; I125-V407 HydrophobicContact CG2-CG2 3.95Å
126	Y	92.1	Very high	88.1	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.016	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.9	175.3	-52.9	-80.5	0	0	0	108.7	A59 L60 V62 F84 C117 M124 A146 F225	A59-Y126 CarbonylContact C-O 3.56Å; A59-Y126 VanDerWaalsContact CA-O 3.25Å; A59-Y126 WeakPolarHBondContact CA-O 3.47Å; L60-Y126 HydrophobicContact CB-CD2 4.44Å; L60-Y126 HydrophobicContact CD2-CD2 4.31Å; L60-Y126 HydrophobicContact CG-CD2 4.4Å; L60-Y126 PolarHBondContact N-O 2.95Å; L60-Y126 PolarHBondContact O-N 2.91Å; V62-Y126 HydrophobicContact CG2-CD2 4.33Å; V62-Y126 HydrophobicContact CG2-CE2 3.98Å; F84-Y126 HydrophobicContact CB-CE1 4.25Å; F84-Y126 HydrophobicContact CD1-CD1 4.14Å; F84-Y126 AromaticContact CD2-CD1 3.38Å; F84-Y126 HydrophobicContact CD2-CD1 3.38Å; F84-Y126 AromaticContact CD2-CE1 3.52Å; F84-Y126 HydrophobicContact CD2-CE1 3.52Å; F84-Y126 HydrophobicContact CE1-CD1 4.11Å; F84-Y126 AromaticContact CE2-CD1 3.36Å; F84-Y126 HydrophobicContact CE2-CD1 3.36Å; F84-Y126 AromaticContact CE2-CE1 3.95Å; F84-Y126 HydrophobicContact CE2-CE1 3.95Å; F84-Y126 HydrophobicContact CE2-CG 4.14Å; F84-Y126 AromaticContact CG-CD1 3.77Å; F84-Y126 HydrophobicContact CG-CD1 3.77Å; F84-Y126 AromaticContact CG-CE1 3.9Å; F84-Y126 HydrophobicContact CG-CE1 3.9Å; F84-Y126 AromaticContact CZ-CD1 3.73Å; F84-Y126 HydrophobicContact CZ-CD1 3.73Å; F84-Y126 HydrophobicContact CZ-CG 4.35Å; C117-Y126 HydrophobicContact CB-CD1 3.76Å; C117-Y126 HydrophobicContact CB-CE1 3.75Å; C117-Y126 WeakPolarHBondContact SG-CE1 3.42Å; M124-Y126 HydrophobicContact CB-CE2 3.95Å; Y126-A146 HydrophobicContact CD1-CB 4.39Å; Y126-A146 HydrophobicContact CD2-CB 4.01Å; Y126-A146 HydrophobicContact CE1-CB 4.47Å; Y126-A146 HydrophobicContact CE2-CB 4.13Å; Y126-A146 HydrophobicContact CG-CB 4.14Å; Y126-F225 HydrophobicContact CE2-CZ 4.13Å
127	T	91.4	Very high	89.3	Confident	6 Å²	6	31.4 Å²	31.4	4%	0.037	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.7	-175	45.1	0	0	0	0	112.4	I58 A59 V107 K116 I125 L403	I58-T127 WeakPolarHBondContact O-CA 3.12Å; A59-T127 HydrophobicContact CB-CG2 3.94Å; V107-T127 WeakPolarHBondContact CG1-O 3.23Å; K116-T127 PolarHBondContact O-N 2.83Å; I125-T127 HydrophobicContact CG2-CG2 4.01Å; T127-L403 HydrophobicContact CG2-CD1 3.68Å; T127-L403 HydrophobicContact CG2-CD2 4.36Å
128	I	88.8	Confident	90	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	139.2	170.4	-171.6	158.6	0	0	0	112.2	R57 I58 F100 A105 V107 L142	R57-I128 CarbonylContact C-O 3.45Å; R57-I128 VanDerWaalsContact CA-O 3.31Å; R57-I128 WeakPolarHBondContact CA-O 3.44Å; I58-I128 HydrophobicContact CB-CG2 3.9Å; I58-I128 PolarHBondContact N-O 3.03Å; I58-I128 PolarHBondContact O-N 2.76Å; F100-I128 HydrophobicContact CD1-CD1 3.37Å; F100-I128 HydrophobicContact CE1-CD1 3.19Å; F100-I128 HydrophobicContact CG-CD1 4.43Å; F100-I128 HydrophobicContact CZ-CD1 4.13Å; A105-I128 HydrophobicContact CB-CD1 3.93Å; A105-I128 HydrophobicContact CB-CG1 4.13Å; V107-I128 HydrophobicContact CG2-CB 4.39Å; V107-I128 HydrophobicContact CG2-CG1 4.13Å; I128-L142 HydrophobicContact CB-CD1 4.07Å; I128-L142 HydrophobicContact CG2-CB 4.22Å; I128-L142 HydrophobicContact CG2-CD1 4.07Å; I128-L142 HydrophobicContact CG2-CD2 4Å; I128-L142 HydrophobicContact CG2-CG 4.33Å
129	D	88.3	Confident	90.4	Very high	13 Å²	13	27.4 Å²	27.4	7%	0.07	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.8	172	-44.1	-30.5	0	0	0	108.3	R57 A105 R106 Q108	R57-D129 WeakPolarHBondContact CG-OD1 3.1Å; R57-D129 IonicContact CZ-OD1 3.44Å; R57-D129 IonicContact CZ-OD2 3.18Å; R57-D129 IonicContact NE-OD1 2.65Å; R57-D129 PolarHBondContact NE-OD1 2.94Å; R57-D129 IonicContact NE-OD2 3.57Å; R57-D129 VanDerWaalsContact NH2-CG 3.29Å; R57-D129 IonicContact NH2-OD1 2.77Å; R57-D129 PolarHBondContact NH2-OD1 2.95Å; R57-D129 VanDerWaalsContact NH2-OD1 3.17Å; R57-D129 IonicContact NH2-OD2 3.28Å; R57-D129 PolarHBondContact NH2-OD2 3.03Å; A105-D129 CarbonylContact C-O 3.52Å; A105-D129 VanDerWaalsContact CA-O 3.24Å; A105-D129 WeakPolarHBondContact CA-O 3.31Å; R106-D129 HydrophobicContact CB-CB 4.46Å; R106-D129 PolarHBondContact N-O 3.04Å; R106-D129 CarbonylContact O-C 3.54Å; R106-D129 WeakPolarHBondContact O-CA 3.25Å; R106-D129 WeakPolarHBondContact O-CB 3.47Å; R106-D129 PolarHBondContact O-N 3.17Å; Q108-D129 WeakPolarHBondContact CB-OD2 3.49Å
130	V	88.8	Confident	90.7	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	163.1	-177.2	74.5	0	0	0	0	111.2	C55 T56 M103 A105 F134 A135 S138	C55-V130 CarbonylContact C-O 3.49Å; C55-V130 VanDerWaalsContact CA-O 3.28Å; C55-V130 WeakPolarHBondContact CA-O 3.44Å; C55-V130 WeakPolarHBondContact CB-O 2.95Å; T56-V130 PolarHBondContact N-O 3.44Å; T56-V130 PolarHBondContact O-N 3.03Å; T56-V130 VanDerWaalsContact O-O 3.13Å; M103-V130 HydrophobicContact CB-CG2 4.01Å; A105-V130 HydrophobicContact CB-CB 4.37Å; A105-V130 HydrophobicContact CB-CG2 4.04Å; V130-F134 HydrophobicContact CG2-CB 3.69Å; V130-A135 HydrophobicContact CG1-CB 4.41Å; V130-S138 WeakPolarHBondContact CG1-OG 3.45Å
131	A	88.3	Confident	90.9	Very high	36 Å²	36	25.7 Å²	25.7	30%	0.298	13%	0.132	S	C	.	.			trans	-61.7	141.6	166.8	0	0	0	0	0	111.2	N133 F134	A131-N133 WeakPolarHBondContact CB-OD1 3.24Å; A131-N133 PolarHBondContact O-N 2.84Å; A131-N133 VanDerWaalsContact O-N 3.1Å; A131-N133 PolarHBondContact O-OD1 3.23Å; A131-F134 HydrophobicContact CB-CD2 4.24Å; A131-F134 PolarHBondContact O-N 3.5Å
132	P	87.1	Confident	90.9	Very high	32 Å²	32	25.3 Å²	25.3	21%	0.208	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-57.9	-31.3	-169.6	-28.2	36	0	0	0	115.4	G54 T56 F134 A135 P237 I241	G54-P132 VanDerWaalsContact O-CD 3.22Å; G54-P132 WeakPolarHBondContact O-CD 3.34Å; G54-P132 WeakPolarHBondContact O-CG 3.45Å; T56-P132 WeakPolarHBondContact OG1-CA 3.38Å; T56-P132 WeakPolarHBondContact OG1-CB 3.41Å; P132-F134 PolarHBondContact O-N 3.39Å; P132-A135 VanDerWaalsContact O-CB 3.31Å; P132-A135 WeakPolarHBondContact O-CB 3.43Å; P132-A135 PolarHBondContact O-N 3Å; P132-P237 HydrophobicContact CG-CG 3.7Å; P132-I241 HydrophobicContact CB-CD1 4.3Å
133	N	88.6	Confident	91	Very high	116 Å²	116	24.9 Å²	24.9	62%	0.62	13%	0.129	S	C	*	.	G	3₁₀ helix	trans	-64.7	-23.2	176.9	64.9	-43.5	0	0	0	114	A131	A131-N133 WeakPolarHBondContact CB-OD1 3.24Å; A131-N133 PolarHBondContact O-N 2.84Å; A131-N133 VanDerWaalsContact O-N 3.1Å; A131-N133 PolarHBondContact O-OD1 3.23Å
134	F	91.1	Very high	90.9	Very high	80 Å²	80	24.8 Å²	24.8	35%	0.351	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-101.3	-0.5	179.1	-62.9	-57.2	0	0	0	113.7	M103 V130 A131 P132 S136 R137 S138	M103-F134 HydrophobicContact CB-CB 4.16Å; M103-F134 HydrophobicContact CB-CD2 3.99Å; M103-F134 HydrophobicContact CB-CG 4.04Å; M103-F134 HydrophobicContact CG-CB 4.08Å; M103-F134 HydrophobicContact CG-CD1 4.07Å; M103-F134 HydrophobicContact CG-CD2 4.29Å; M103-F134 HydrophobicContact CG-CG 3.9Å; M103-F134 HydrophobicContact SD-CB 4Å; M103-F134 HydrophobicContact SD-CG 4.4Å; V130-F134 HydrophobicContact CG2-CB 3.69Å; A131-F134 HydrophobicContact CB-CD2 4.24Å; A131-F134 PolarHBondContact O-N 3.5Å; P132-F134 PolarHBondContact O-N 3.39Å; F134-S136 VanDerWaalsContact C-N 3.34Å; F134-S136 PolarHBondContact O-N 2.66Å; F134-R137 PolarHBondContact O-N 3.22Å; F134-S138 PolarHBondContact O-N 2.87Å; F134-S138 PolarHBondContact O-OG 3.08Å
135	A	90.4	Very high	90.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-50.7	-46.2	-174.3	0	0	0	0	0	113.9	T56 I58 V130 P132 R137 S138 G139 I246	T56-A135 HydrophobicContact CG2-CB 3.64Å; I58-A135 HydrophobicContact CD1-CB 4.37Å; I58-A135 WeakPolarHBondContact CD1-O 3.37Å; V130-A135 HydrophobicContact CG1-CB 4.41Å; P132-A135 VanDerWaalsContact O-CB 3.31Å; P132-A135 WeakPolarHBondContact O-CB 3.43Å; P132-A135 PolarHBondContact O-N 3Å; A135-R137 PolarHBondContact O-N 2.79Å; A135-S138 PolarHBondContact O-OG 3.37Å; A135-S138 VanDerWaalsContact O-OG 3.1Å; A135-G139 PolarHBondContact O-N 2.97Å; A135-I246 HydrophobicContact CB-CD1 4.26Å; A135-I246 HydrophobicContact CB-CG2 4.27Å
136	S	92	Very high	90.6	Very high	48 Å²	48	24.3 Å²	24.3	34%	0.336	13%	0.127	S	C	.	.	H	α-helix	trans	-63	-41.3	178.9	-49.8	0	0	0	0	112.4	F134 F140	F134-S136 VanDerWaalsContact C-N 3.34Å; F134-S136 PolarHBondContact O-N 2.66Å; S136-F140 WeakPolarHBondContact O-CB 3.46Å; S136-F140 PolarHBondContact O-N 2.82Å
137	R	92.5	Very high	90.6	Very high	105 Å²	105	24.5 Å²	24.5	40%	0.396	13%	0.129	S	C	.	.	H	α-helix	trans	-76.3	-39.4	-179.3	-176.7	57.3	177.2	170.1	1.3	111.9	M103 F134 A135 F140 L141	M103-R137 HydrophobicContact SD-CB 4.14Å; M103-R137 HydrophobicContact SD-CG 3.96Å; F134-R137 PolarHBondContact O-N 3.22Å; A135-R137 PolarHBondContact O-N 2.79Å; R137-F140 PolarHBondContact O-N 2.98Å; R137-L141 HydrophobicContact CG-CD1 4.37Å; R137-L141 WeakPolarHBondContact O-CG 3.04Å; R137-L141 PolarHBondContact O-N 2.6Å
138	S	91.1	Very high	90.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.8	-37.9	176	69.1	0	0	0	0	111.8	V130 F134 A135 L141 L142	V130-S138 WeakPolarHBondContact CG1-OG 3.45Å; F134-S138 PolarHBondContact O-N 2.87Å; F134-S138 PolarHBondContact O-OG 3.08Å; A135-S138 PolarHBondContact O-OG 3.37Å; A135-S138 VanDerWaalsContact O-OG 3.1Å; S138-L141 PolarHBondContact O-N 3.23Å; S138-L142 WeakPolarHBondContact O-CB 3.43Å; S138-L142 PolarHBondContact O-N 3.33Å
139	G	92.3	Very high	90.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.6	-45.5	174.4	0	0	0	0	0	112	A135 L141 L142 C143 V250	A135-G139 PolarHBondContact O-N 2.97Å; G139-L141 VanDerWaalsContact C-N 3.35Å; G139-L141 PolarHBondContact O-N 2.64Å; G139-L142 WeakPolarHBondContact O-CB 3.45Å; G139-L142 PolarHBondContact O-N 3Å; G139-C143 WeakPolarHBondContact O-CB 3.34Å; G139-C143 PolarHBondContact O-N 3Å; G139-C143 PolarHBondContact O-SG 2.93Å; G139-C143 VanDerWaalsContact O-SG 3.36Å; G139-V250 WeakPolarHBondContact O-CG1 3.11Å
140	F	92.8	Very high	90.8	Very high	53 Å²	53	26.8 Å²	26.8	23%	0.232	15%	0.146	C	C	.	.	H	α-helix	trans	-54.6	-50.7	173.6	-179.2	-77.4	0	0	0	111.2	S136 R137 L142 C143 S144 S253	S136-F140 WeakPolarHBondContact O-CB 3.46Å; S136-F140 PolarHBondContact O-N 2.82Å; R137-F140 PolarHBondContact O-N 2.98Å; F140-L142 VanDerWaalsContact C-N 3.34Å; F140-L142 PolarHBondContact O-N 2.78Å; F140-C143 PolarHBondContact O-N 3.4Å; F140-S144 WeakPolarHBondContact O-CB 3.3Å; F140-S144 PolarHBondContact O-N 3Å; F140-S253 WeakPolarHBondContact CA-OG 3.43Å; F140-S253 VanDerWaalsContact CD2-CB 3.41Å; F140-S253 PolarHBondContact O-OG 2.97Å
141	L	91.8	Very high	91	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-68.8	-29.5	179.9	-67.5	175.7	0	0	0	113.2	L91 L96 H99 F100 M103 R137 S138 G139 M145	L91-L141 HydrophobicContact CD1-CD2 3.43Å; L91-L141 VanDerWaalsContact CD1-CD2 3.43Å; L96-L141 HydrophobicContact CD2-CD2 4.13Å; H99-L141 HydrophobicContact CB-CD1 3.85Å; F100-L141 HydrophobicContact CE1-CB 3.82Å; F100-L141 HydrophobicContact CE1-CD1 4.31Å; F100-L141 HydrophobicContact CE2-CB 4.37Å; F100-L141 HydrophobicContact CZ-CB 3.46Å; F100-L141 VanDerWaalsContact CZ-CB 3.46Å; F100-L141 HydrophobicContact CZ-CD1 4.37Å; M103-L141 HydrophobicContact CE-CD1 3.94Å; R137-L141 HydrophobicContact CG-CD1 4.37Å; R137-L141 WeakPolarHBondContact O-CG 3.04Å; R137-L141 PolarHBondContact O-N 2.6Å; S138-L141 PolarHBondContact O-N 3.23Å; G139-L141 VanDerWaalsContact C-N 3.35Å; G139-L141 PolarHBondContact O-N 2.64Å; L141-M145 WeakPolarHBondContact O-CB 3.5Å; L141-M145 PolarHBondContact O-N 3.05Å
142	L	91.7	Very high	91.2	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-64.6	-49.7	172.3	-177.7	82.9	0	0	0	110.6	I58 L60 F84 I128 S138 G139 F140 A146	I58-L142 HydrophobicContact CG2-CD2 3.96Å; L60-L142 HydrophobicContact CB-CD2 4.36Å; F84-L142 HydrophobicContact CZ-CD1 3.82Å; I128-L142 HydrophobicContact CB-CD1 4.07Å; I128-L142 HydrophobicContact CG2-CB 4.22Å; I128-L142 HydrophobicContact CG2-CD1 4.07Å; I128-L142 HydrophobicContact CG2-CD2 4Å; I128-L142 HydrophobicContact CG2-CG 4.33Å; S138-L142 WeakPolarHBondContact O-CB 3.43Å; S138-L142 PolarHBondContact O-N 3.33Å; G139-L142 WeakPolarHBondContact O-CB 3.45Å; G139-L142 PolarHBondContact O-N 3Å; F140-L142 VanDerWaalsContact C-N 3.34Å; F140-L142 PolarHBondContact O-N 2.78Å; L142-A146 WeakPolarHBondContact O-CB 3.41Å; L142-A146 PolarHBondContact O-N 2.91Å
143	C	92.4	Very high	91.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-69	-52.7	-174.8	-71.4	0	0	0	0	111.7	G139 F140 M145 A146 S147 V250 S253 I254	G139-C143 WeakPolarHBondContact O-CB 3.34Å; G139-C143 PolarHBondContact O-N 3Å; G139-C143 PolarHBondContact O-SG 2.93Å; G139-C143 VanDerWaalsContact O-SG 3.36Å; F140-C143 PolarHBondContact O-N 3.4Å; C143-M145 VanDerWaalsContact C-N 3.25Å; C143-M145 PolarHBondContact O-N 3.29Å; C143-A146 WeakPolarHBondContact O-CA 3.17Å; C143-A146 WeakPolarHBondContact O-CB 3.35Å; C143-A146 PolarHBondContact O-N 3.45Å; C143-S147 PolarHBondContact O-N 3.24Å; C143-S147 PolarHBondContact O-OG 3.02Å; C143-V250 HydrophobicContact CB-CG1 4.4Å; C143-V250 WeakPolarHBondContact SG-CG1 3.34Å; C143-S253 WeakPolarHBondContact CB-OG 3.37Å; C143-I254 HydrophobicContact CB-CG1 3.6Å
144	S	90.9	Very high	91.8	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-54.6	-39.7	176	167.8	0	0	0	0	112.6	F140 S148 S253	F140-S144 WeakPolarHBondContact O-CB 3.3Å; F140-S144 PolarHBondContact O-N 3Å; S144-S148 PolarHBondContact O-N 2.93Å; S144-S148 PolarHBondContact O-OG 3.42Å; S144-S253 PolarHBondContact N-O 2.88Å
145	M	89.2	Confident	91.8	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.03	15%	0.153	C	C	.	.	H	α-helix	trans	-72.2	-27	175.7	179.5	176.1	49.5	0	0	114.2	F84 T88 L96 F100 K115 L141 C143	F84-M145 HydrophobicContact CD2-CG 4.26Å; F84-M145 HydrophobicContact CE1-CE 4.33Å; F84-M145 HydrophobicContact CE2-CE 3.69Å; F84-M145 HydrophobicContact CE2-CG 3.99Å; F84-M145 HydrophobicContact CE2-SD 4.26Å; F84-M145 HydrophobicContact CZ-CE 3.55Å; F84-M145 HydrophobicContact CZ-SD 4.5Å; T88-M145 HydrophobicContact CG2-CB 4.06Å; T88-M145 HydrophobicContact CG2-CG 4.45Å; L96-M145 HydrophobicContact CD1-CG 4.46Å; L96-M145 HydrophobicContact CD1-SD 4.17Å; F100-M145 HydrophobicContact CE2-CE 3.77Å; F100-M145 HydrophobicContact CE2-SD 4.36Å; F100-M145 HydrophobicContact CZ-CE 3.87Å; K115-M145 HydrophobicContact CD-CE 3.87Å; K115-M145 HydrophobicContact CD-SD 3.58Å; K115-M145 VanDerWaalsContact CD-SD 3.58Å; K115-M145 VanDerWaalsContact CE-SD 3.55Å; K115-M145 HydrophobicContact CG-CE 4.39Å; K115-M145 PolarHBondContact NZ-SD 2.82Å; L141-M145 WeakPolarHBondContact O-CB 3.5Å; L141-M145 PolarHBondContact O-N 3.05Å; C143-M145 VanDerWaalsContact C-N 3.25Å; C143-M145 PolarHBondContact O-N 3.29Å
146	A	90.8	Very high	92	Very high	2 Å²	2	31.1 Å²	31.1	2%	0.017	15%	0.153	C	C	.	.	H	α-helix	trans	-79.3	-46.6	174.3	0	0	0	0	0	111.2	L60 F84 Y126 L142 C143 H221 F225	L60-A146 HydrophobicContact CD2-CB 3.8Å; F84-A146 HydrophobicContact CE2-CB 4.42Å; Y126-A146 HydrophobicContact CD1-CB 4.39Å; Y126-A146 HydrophobicContact CD2-CB 4.01Å; Y126-A146 HydrophobicContact CE1-CB 4.47Å; Y126-A146 HydrophobicContact CE2-CB 4.13Å; Y126-A146 HydrophobicContact CG-CB 4.14Å; L142-A146 WeakPolarHBondContact O-CB 3.41Å; L142-A146 PolarHBondContact O-N 2.91Å; C143-A146 WeakPolarHBondContact O-CA 3.17Å; C143-A146 WeakPolarHBondContact O-CB 3.35Å; C143-A146 PolarHBondContact O-N 3.45Å; A146-H221 PolarHBondContact O-CE1 3.21Å; A146-H221 PolarHBondContact O-NE2 2.72Å; A146-F225 HydrophobicContact CB-CE1 3.98Å; A146-F225 HydrophobicContact CB-CZ 3.91Å; A146-F225 VanDerWaalsContact O-CE2 3.32Å; A146-F225 WeakPolarHBondContact O-CE2 3.48Å; A146-F225 WeakPolarHBondContact O-CZ 3.36Å
147	S	91.7	Very high	92.1	Very high	7 Å²	7	35.7 Å²	35.7	5%	0.049	17%	0.167	C	C	.	.	H	α-helix	trans	-86	-19.9	-172.7	62.2	0	0	0	0	115.3	C143 H221 S253 H255	C143-S147 PolarHBondContact O-N 3.24Å; C143-S147 PolarHBondContact O-OG 3.02Å; S147-H221 PolarHBondContact O-CE1 3.18Å; S147-S253 PolarHBondContact OG-O 3.49Å; S147-H255 WeakPolarHBondContact CB-O 3.5Å; S147-H255 PolarHBondContact OG-N 3.28Å
148	S	90.7	Very high	92.1	Very high	22 Å²	22	35 Å²	35	15%	0.154	17%	0.171	C	C	.	.	S	Bend	trans	-141.1	61.7	-179.3	41.2	0	0	0	0	113.1	P89 S144 H255	P89-S148 VanDerWaalsContact CD-O 3.26Å; P89-S148 WeakPolarHBondContact CD-O 3.41Å; S144-S148 PolarHBondContact O-N 2.93Å; S144-S148 PolarHBondContact O-OG 3.42Å; S148-H255 WeakPolarHBondContact CB-ND1 3.2Å; S148-H255 PolarHBondContact OG-ND1 3.12Å
149	P	90.3	Very high	92	Very high	22 Å²	22	38.7 Å²	38.7	14%	0.143	19%	0.19	C	C	.	.			trans	-72.3	141.5	169.1	31.3	-34.2	0	0	0	111.6	Y151 H221	P149-Y151 HydrophobicContact CB-CE2 4.19Å; P149-Y151 HydrophobicContact CG-CE2 3.61Å; P149-Y151 WeakPolarHBondContact CG-OH 3.42Å; P149-H221 WeakPolarHBondContact CD-NE2 3.42Å; P149-H221 WeakPolarHBondContact CG-NE2 3.33Å
150	C	92.3	Very high	92	Very high	26 Å²	26	38.7 Å²	38.7	18%	0.176	19%	0.19	C	C	.	.			trans	-95.1	121.1	169.8	-68.5	0	0	0	0	110.5	S87 T88 P89 Y152	S87-C150 WeakPolarHBondContact O-CB 3.26Å; S87-C150 PolarHBondContact O-N 2.89Å; T88-C150 VanDerWaalsContact C-SG 3.59Å; P89-C150 WeakPolarHBondContact CD-SG 3.43Å; P89-C150 VanDerWaalsContact N-SG 3.43Å; C150-Y152 HydrophobicContact CB-CD2 4.45Å; C150-Y152 HydrophobicContact CB-CE2 3.86Å; C150-Y152 PolarHBondContact O-N 3.08Å
151	Y	93	Very high	92.1	Very high	15 Å²	15	38 Å²	38	6%	0.059	19%	0.186	C	C	.	.			trans	-96.6	83.6	-178.4	-64.5	-75	0	0	0	112	L79 S83 P149 L156 I217 N218 H221	L79-Y151 HydrophobicContact CD2-CE1 4.36Å; S83-Y151 WeakPolarHBondContact OG-CE1 3.15Å; P149-Y151 HydrophobicContact CB-CE2 4.19Å; P149-Y151 HydrophobicContact CG-CE2 3.61Å; P149-Y151 WeakPolarHBondContact CG-OH 3.42Å; Y151-L156 HydrophobicContact CD1-CD2 4.19Å; Y151-I217 HydrophobicContact CD1-CG2 3.68Å; Y151-I217 HydrophobicContact CD2-CG2 3.74Å; Y151-I217 HydrophobicContact CE1-CG2 3.46Å; Y151-I217 VanDerWaalsContact CE1-CG2 3.46Å; Y151-I217 HydrophobicContact CE2-CG2 3.56Å; Y151-I217 HydrophobicContact CG-CG2 3.79Å; Y151-I217 VanDerWaalsContact CZ-CG2 3.41Å; Y151-N218 VanDerWaalsContact CD2-OD1 3.29Å; Y151-N218 WeakPolarHBondContact CD2-OD1 3.36Å; Y151-H221 PolarHBondContact OH-CD2 3.11Å
152	Y	93.7	Very high	92.3	Very high	92 Å²	92	43.7 Å²	43.7	36%	0.361	21%	0.211	S	C	.	.			trans	-78.5	131	172.4	-58.2	-63.5	0	0	0	111.5	C150 W154 E155 L156	C150-Y152 HydrophobicContact CB-CD2 4.45Å; C150-Y152 HydrophobicContact CB-CE2 3.86Å; C150-Y152 PolarHBondContact O-N 3.08Å; Y152-W154 VanDerWaalsContact C-N 3.26Å; Y152-W154 AromaticContact CD1-CH2 3.89Å; Y152-W154 HydrophobicContact CD1-CH2 3.89Å; Y152-W154 AromaticContact CD1-CZ2 3.64Å; Y152-W154 HydrophobicContact CD1-CZ2 3.64Å; Y152-W154 HydrophobicContact CD2-CZ2 4.3Å; Y152-W154 HydrophobicContact CE1-CZ2 4.28Å; Y152-W154 AromaticContact CG-CE2 3.89Å; Y152-W154 HydrophobicContact CG-CH2 4.32Å; Y152-W154 AromaticContact CG-CZ2 3.65Å; Y152-W154 HydrophobicContact CG-CZ2 3.65Å; Y152-W154 PolarHBondContact O-N 2.95Å; Y152-E155 PolarHBondContact O-N 2.98Å; Y152-E155 VanDerWaalsContact O-N 3.11Å; Y152-L156 PolarHBondContact O-N 3.12Å
153	A	93.9	Very high	92.3	Very high	61 Å²	61	45.8 Å²	45.8	50%	0.504	22%	0.222	S	C	.	.	H	α-helix	trans	-56.1	-38.3	-179.1	0	0	0	0	0	113.2	K157 I214	A153-K157 VanDerWaalsContact O-CB 3.29Å; A153-K157 WeakPolarHBondContact O-CB 3.14Å; A153-K157 PolarHBondContact O-N 3.25Å; A153-I214 HydrophobicContact CB-CD1 4.37Å
154	W	94	Very high	92.4	Very high	173 Å²	173	45.8 Å²	45.8	66%	0.655	22%	0.222	S	C	*	.	H	α-helix	trans	-67.6	-45.4	176	58.5	78.2	0	0	0	112.2	Y152 L156 K157 D158	Y152-W154 VanDerWaalsContact C-N 3.26Å; Y152-W154 AromaticContact CD1-CH2 3.89Å; Y152-W154 HydrophobicContact CD1-CH2 3.89Å; Y152-W154 AromaticContact CD1-CZ2 3.64Å; Y152-W154 HydrophobicContact CD1-CZ2 3.64Å; Y152-W154 HydrophobicContact CD2-CZ2 4.3Å; Y152-W154 HydrophobicContact CE1-CZ2 4.28Å; Y152-W154 AromaticContact CG-CE2 3.89Å; Y152-W154 HydrophobicContact CG-CH2 4.32Å; Y152-W154 AromaticContact CG-CZ2 3.65Å; Y152-W154 HydrophobicContact CG-CZ2 3.65Å; Y152-W154 PolarHBondContact O-N 2.95Å; W154-L156 VanDerWaalsContact C-N 3.34Å; W154-L156 PolarHBondContact O-N 2.85Å; W154-K157 PolarHBondContact O-N 2.73Å; W154-D158 WeakPolarHBondContact O-CB 3.36Å; W154-D158 PolarHBondContact O-N 3.11Å
155	E	91.2	Very high	92.6	Very high	15 Å²	15	48.7 Å²	48.7	7%	0.07	24%	0.242	C	C	.	.	H	α-helix	trans	-68.3	-35.8	-178	-161.6	-179.8	-174.5	0	0	110.7	M86 S87 S93 Y152 I159	M86-E155 HydrophobicContact CE-CB 3.47Å; M86-E155 VanDerWaalsContact CE-CB 3.47Å; M86-E155 HydrophobicContact CE-CG 3.5Å; M86-E155 VanDerWaalsContact CE-CG 3.5Å; M86-E155 HydrophobicContact CG-CG 4.35Å; S87-E155 PolarHBondContact OG-OE2 3.23Å; S93-E155 WeakPolarHBondContact CB-OE1 3.46Å; S93-E155 PolarHBondContact OG-OE1 3.1Å; Y152-E155 PolarHBondContact O-N 2.98Å; Y152-E155 VanDerWaalsContact O-N 3.11Å; E155-I159 HydrophobicContact CG-CD1 3.97Å; E155-I159 WeakPolarHBondContact O-CB 3.48Å; E155-I159 PolarHBondContact O-N 3.42Å; E155-I159 VanDerWaalsContact O-N 3.12Å
156	L	93.8	Very high	92.9	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	27%	0.267	C	S	.	.	I	π-helix	trans	-61.2	-51.4	170	-75.9	177.3	0	0	0	112	L79 M86 Y151 Y152 W154 V160 Y161 I217	L79-L156 HydrophobicContact CD2-CD2 4.01Å; M86-L156 HydrophobicContact CE-CD2 3.88Å; M86-L156 HydrophobicContact CE-CG 3.98Å; M86-L156 HydrophobicContact SD-CD2 4.06Å; Y151-L156 HydrophobicContact CD1-CD2 4.19Å; Y152-L156 PolarHBondContact O-N 3.12Å; W154-L156 VanDerWaalsContact C-N 3.34Å; W154-L156 PolarHBondContact O-N 2.85Å; L156-V160 HydrophobicContact CD2-CB 3.97Å; L156-V160 HydrophobicContact CD2-CG1 4.15Å; L156-V160 HydrophobicContact CD2-CG2 3.92Å; L156-V160 WeakPolarHBondContact O-CA 3.25Å; L156-V160 WeakPolarHBondContact O-CB 3.49Å; L156-V160 PolarHBondContact O-N 3.45Å; L156-Y161 HydrophobicContact CB-CE1 4.13Å; L156-Y161 HydrophobicContact CB-CE2 4.17Å; L156-Y161 HydrophobicContact CD2-CE1 4.46Å; L156-Y161 PolarHBondContact O-N 2.95Å; L156-I217 HydrophobicContact CD1-CD1 3.9Å
157	K	94	Very high	93	Very high	143 Å²	143	55.3 Å²	55.3	62%	0.622	27%	0.271	S	S	*	.	I	π-helix	trans	-62.3	-43.5	-179.8	-179	177.9	176.3	-178.5	0	112.4	A153 W154 Y161	A153-K157 VanDerWaalsContact O-CB 3.29Å; A153-K157 WeakPolarHBondContact O-CB 3.14Å; A153-K157 PolarHBondContact O-N 3.25Å; W154-K157 PolarHBondContact O-N 2.73Å; K157-Y161 HydrophobicContact CB-CD2 4.37Å
158	D	92.1	Very high	93.2	Very high	91 Å²	91	55.5 Å²	55.5	49%	0.487	27%	0.272	S	S	.	.	I	π-helix	trans	-83	-26.2	-172	-85.2	-43.3	0	0	0	115	W154 K162	W154-D158 WeakPolarHBondContact O-CB 3.36Å; W154-D158 PolarHBondContact O-N 3.11Å; D158-K162 VanDerWaalsContact O-CD 3.26Å; D158-K162 WeakPolarHBondContact O-CD 3.49Å; D158-K162 WeakPolarHBondContact O-CE 3.34Å; D158-K162 PolarHBondContact O-NZ 2.69Å; D158-K162 IonicContact OD1-NZ 3.89Å; D158-K162 PolarHBondContact OD1-NZ 2.71Å
159	I	90.6	Very high	93.3	Very high	77 Å²	77	57.1 Å²	57.1	40%	0.395	28%	0.279	S	S	.	.	I	π-helix	trans	-118.4	-58.3	-175.7	-55.1	177.1	0	0	0	111.1	E155 L163	E155-I159 HydrophobicContact CG-CD1 3.97Å; E155-I159 WeakPolarHBondContact O-CB 3.48Å; E155-I159 PolarHBondContact O-N 3.42Å; E155-I159 VanDerWaalsContact O-N 3.12Å; I159-L163 HydrophobicContact CG2-CD1 3.99Å; I159-L163 WeakPolarHBondContact O-CB 3.38Å; I159-L163 VanDerWaalsContact O-CG 3.25Å; I159-L163 WeakPolarHBondContact O-CG 3.48Å; I159-L163 PolarHBondContact O-N 3.21Å
160	V	92.2	Very high	93.5	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.	I	π-helix	trans	-69.3	-51.5	-167.8	177.3	0	0	0	0	111.5	L79 R82 M86 L156 K162 L163 M164	L79-V160 HydrophobicContact CG-CG1 4.19Å; R82-V160 HydrophobicContact CB-CG1 3.89Å; M86-V160 HydrophobicContact CE-CG2 4.16Å; M86-V160 HydrophobicContact CG-CG2 4.5Å; M86-V160 HydrophobicContact SD-CG2 3.53Å; M86-V160 VanDerWaalsContact SD-CG2 3.53Å; L156-V160 HydrophobicContact CD2-CB 3.97Å; L156-V160 HydrophobicContact CD2-CG1 4.15Å; L156-V160 HydrophobicContact CD2-CG2 3.92Å; L156-V160 WeakPolarHBondContact O-CA 3.25Å; L156-V160 WeakPolarHBondContact O-CB 3.49Å; L156-V160 PolarHBondContact O-N 3.45Å; V160-K162 PolarHBondContact O-N 2.89Å; V160-L163 PolarHBondContact O-N 3.41Å; V160-M164 HydrophobicContact CG1-CG 4.3Å; V160-M164 HydrophobicContact CG1-SD 3.8Å; V160-M164 WeakPolarHBondContact O-CG 3.5Å; V160-M164 PolarHBondContact O-N 3Å
161	Y	95	Very high	93.6	Very high	39 Å²	39	57.3 Å²	57.3	15%	0.153	28%	0.277	C	S	.	.	I	π-helix	trans	-65.2	-41	-176.9	-58.4	-20	0	0	0	112.1	L79 L156 K157 L163 M164 S165	L79-Y161 HydrophobicContact CD1-CE1 3.86Å; L79-Y161 HydrophobicContact CG-CE1 4.41Å; L156-Y161 HydrophobicContact CB-CE1 4.13Å; L156-Y161 HydrophobicContact CB-CE2 4.17Å; L156-Y161 HydrophobicContact CD2-CE1 4.46Å; L156-Y161 PolarHBondContact O-N 2.95Å; K157-Y161 HydrophobicContact CB-CD2 4.37Å; Y161-L163 VanDerWaalsContact C-N 3.29Å; Y161-L163 PolarHBondContact O-N 2.81Å; Y161-M164 HydrophobicContact CD1-SD 4.15Å; Y161-M164 PolarHBondContact O-N 3.05Å; Y161-S165 PolarHBondContact O-N 2.79Å; Y161-S165 PolarHBondContact O-OG 3.42Å; Y161-S165 VanDerWaalsContact O-OG 3.11Å
162	K	94.3	Very high	93.5	Very high	121 Å²	121	59.2 Å²	59.2	53%	0.526	29%	0.288	S	S	.	.	H	α-helix	trans	-60.8	-36.8	175.3	-59.4	-176.8	-161.9	149.6	0	112.4	D158 V160 K166	D158-K162 VanDerWaalsContact O-CD 3.26Å; D158-K162 WeakPolarHBondContact O-CD 3.49Å; D158-K162 WeakPolarHBondContact O-CE 3.34Å; D158-K162 PolarHBondContact O-NZ 2.69Å; D158-K162 IonicContact OD1-NZ 3.89Å; D158-K162 PolarHBondContact OD1-NZ 2.71Å; V160-K162 PolarHBondContact O-N 2.89Å; K162-K166 PolarHBondContact O-N 2.9Å
163	L	92.7	Very high	93.3	Very high	46 Å²	46	63.8 Å²	63.8	24%	0.241	31%	0.305	C	S	.	.	H	α-helix	trans	-72.7	-40.1	174.5	-70	173.5	0	0	0	112.2	I159 V160 Y161 K166 D167	I159-L163 HydrophobicContact CG2-CD1 3.99Å; I159-L163 WeakPolarHBondContact O-CB 3.38Å; I159-L163 VanDerWaalsContact O-CG 3.25Å; I159-L163 WeakPolarHBondContact O-CG 3.48Å; I159-L163 PolarHBondContact O-N 3.21Å; V160-L163 PolarHBondContact O-N 3.41Å; Y161-L163 VanDerWaalsContact C-N 3.29Å; Y161-L163 PolarHBondContact O-N 2.81Å; L163-K166 PolarHBondContact O-N 2.87Å; L163-D167 PolarHBondContact O-N 3.49Å
164	M	94	Very high	93.1	Very high	0 Å²	0	70 Å²	70	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-48.4	174.6	-70.6	173.7	72.9	0	0	111.4	H78 L79 R82 V160 Y161 K166 D167 V168 V209	H78-M164 HydrophobicContact CB-CE 4.38Å; L79-M164 HydrophobicContact CB-CE 3.93Å; L79-M164 HydrophobicContact CB-SD 3.88Å; L79-M164 HydrophobicContact CG-SD 4.13Å; R82-M164 HydrophobicContact CB-CG 4.29Å; R82-M164 HydrophobicContact CG-CG 4.13Å; V160-M164 HydrophobicContact CG1-CG 4.3Å; V160-M164 HydrophobicContact CG1-SD 3.8Å; V160-M164 WeakPolarHBondContact O-CG 3.5Å; V160-M164 PolarHBondContact O-N 3Å; Y161-M164 HydrophobicContact CD1-SD 4.15Å; Y161-M164 PolarHBondContact O-N 3.05Å; M164-K166 PolarHBondContact O-N 2.79Å; M164-D167 WeakPolarHBondContact O-CB 3.35Å; M164-D167 PolarHBondContact O-N 2.88Å; M164-V168 WeakPolarHBondContact O-CG2 3.36Å; M164-V168 PolarHBondContact O-N 3.49Å; M164-V209 HydrophobicContact CB-CG1 3.78Å; M164-V209 HydrophobicContact CB-CG2 4.27Å; M164-V209 HydrophobicContact CE-CG2 4.47Å
165	S	95.9	Very high	93	Very high	63 Å²	63	64.6 Å²	64.6	44%	0.441	30%	0.299	S	S	.	.	H	α-helix	trans	-56.7	-36.8	175.7	-57.8	0	0	0	0	112.3	Y161 V168 D169	Y161-S165 PolarHBondContact O-N 2.79Å; Y161-S165 PolarHBondContact O-OG 3.42Å; Y161-S165 VanDerWaalsContact O-OG 3.11Å; S165-V168 PolarHBondContact O-N 3.35Å; S165-D169 WeakPolarHBondContact O-CB 3.48Å; S165-D169 PolarHBondContact O-N 2.84Å
166	K	94.5	Very high	93	Very high	127 Å²	127	64.6 Å²	64.6	55%	0.552	30%	0.299	S	S	*	.	H	α-helix	trans	-68.7	-37	175.1	-173.9	175.7	-178.3	174.2	0	112.9	K162 L163 M164 D169 I170	K162-K166 PolarHBondContact O-N 2.9Å; L163-K166 PolarHBondContact O-N 2.87Å; M164-K166 PolarHBondContact O-N 2.79Å; K166-D169 PolarHBondContact O-N 2.87Å; K166-I170 HydrophobicContact CG-CD1 4.08Å; K166-I170 WeakPolarHBondContact O-CD1 3.18Å; K166-I170 VanDerWaalsContact O-CG1 3.25Å; K166-I170 WeakPolarHBondContact O-CG1 3.01Å; K166-I170 PolarHBondContact O-N 3.28Å
167	D	93.6	Very high	93	Very high	20 Å²	20	68.6 Å²	68.6	11%	0.107	32%	0.321	C	S	.	.	H	α-helix	trans	-65.9	-42.4	174.5	-65.1	-24.6	0	0	0	111.5	H78 R82 L163 M164 D169 I170 L171	H78-D167 IonicContact CD2-OD2 2.66Å; H78-D167 IonicContact CE1-OD2 3.55Å; H78-D167 IonicContact NE2-OD2 3.23Å; H78-D167 PolarHBondContact NE2-OD2 2.83Å; R82-D167 IonicContact CZ-OD1 3.19Å; R82-D167 IonicContact CZ-OD2 2.69Å; R82-D167 IonicContact NE-OD1 2.98Å; R82-D167 IonicContact NE-OD2 2.67Å; R82-D167 PolarHBondContact NE-OD2 3.34Å; R82-D167 IonicContact NH2-OD1 3.17Å; R82-D167 PolarHBondContact NH2-OD1 3.35Å; R82-D167 IonicContact NH2-OD2 3.37Å; R82-D167 PolarHBondContact NH2-OD2 3.1Å; L163-D167 PolarHBondContact O-N 3.49Å; M164-D167 WeakPolarHBondContact O-CB 3.35Å; M164-D167 PolarHBondContact O-N 2.88Å; D167-D169 VanDerWaalsContact C-N 3.3Å; D167-D169 PolarHBondContact O-N 3.07Å; D167-I170 PolarHBondContact O-N 3.44Å; D167-L171 PolarHBondContact O-N 3.38Å
168	V	94.7	Very high	92.9	Very high	12 Å²	12	66.5 Å²	66.5	7%	0.073	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-40.9	174.9	175.3	0	0	0	0	111	M164 S165 N172 I203 S204 A206 V209	M164-V168 WeakPolarHBondContact O-CG2 3.36Å; M164-V168 PolarHBondContact O-N 3.49Å; S165-V168 PolarHBondContact O-N 3.35Å; V168-N172 WeakPolarHBondContact CG1-ND2 3.32Å; V168-N172 WeakPolarHBondContact O-CB 3.48Å; V168-N172 PolarHBondContact O-N 3.06Å; V168-N172 PolarHBondContact O-ND2 2.82Å; V168-I203 HydrophobicContact CG2-CG2 3.8Å; V168-S204 WeakPolarHBondContact CG2-O 3.39Å; V168-A206 HydrophobicContact CG1-CB 3.88Å; V168-V209 HydrophobicContact CG2-CG2 4.18Å
169	D	94.7	Very high	93.1	Very high	56 Å²	56	62.6 Å²	62.6	30%	0.299	29%	0.292	S	S	.	.	H	α-helix	trans	-64.6	-44.6	174.7	-173.1	48.5	0	0	0	112.4	S165 K166 D167 L171 N172 R173	S165-D169 WeakPolarHBondContact O-CB 3.48Å; S165-D169 PolarHBondContact O-N 2.84Å; K166-D169 PolarHBondContact O-N 2.87Å; D167-D169 VanDerWaalsContact C-N 3.3Å; D167-D169 PolarHBondContact O-N 3.07Å; D169-L171 PolarHBondContact O-N 3.17Å; D169-N172 PolarHBondContact O-N 2.82Å; D169-R173 WeakPolarHBondContact O-CB 3.49Å; D169-R173 PolarHBondContact O-N 3.14Å; D169-R173 WeakPolarHBondContact OD1-CD 3.49Å; D169-R173 IonicContact OD1-CZ 2.66Å; D169-R173 IonicContact OD1-NE 2.64Å; D169-R173 PolarHBondContact OD1-NE 2.79Å; D169-R173 IonicContact OD1-NH1 2.95Å; D169-R173 PolarHBondContact OD1-NH1 3.06Å; D169-R173 IonicContact OD2-NH1 3.2Å
170	I	93.9	Very high	93.4	Very high	41 Å²	41	59 Å²	59	21%	0.21	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-45.5	176.8	-70.6	163.7	0	0	0	110.9	K166 D167 R174 N175	K166-I170 HydrophobicContact CG-CD1 4.08Å; K166-I170 WeakPolarHBondContact O-CD1 3.18Å; K166-I170 VanDerWaalsContact O-CG1 3.25Å; K166-I170 WeakPolarHBondContact O-CG1 3.01Å; K166-I170 PolarHBondContact O-N 3.28Å; D167-I170 PolarHBondContact O-N 3.44Å; I170-R174 WeakPolarHBondContact O-CA 3.42Å; I170-R174 WeakPolarHBondContact O-CB 3.29Å; I170-R174 PolarHBondContact O-N 3.45Å; I170-N175 PolarHBondContact O-N 3.02Å
171	L	93.3	Very high	93.5	Very high	10 Å²	10	60 Å²	60	5%	0.052	28%	0.279	C	S	.	.	H	α-helix	trans	-59.9	-52	177.2	-176.5	68.4	0	0	0	111.3	D167 D169 R173 N175 E178 L179 I203	D167-L171 PolarHBondContact O-N 3.38Å; D169-L171 PolarHBondContact O-N 3.17Å; L171-R173 PolarHBondContact O-N 3.45Å; L171-N175 CarbonylContact O-C 3.53Å; L171-E178 HydrophobicContact CD1-CB 3.73Å; L171-L179 HydrophobicContact CD1-CB 4.05Å; L171-L179 HydrophobicContact CD2-CD1 4.19Å; L171-L179 HydrophobicContact CG-CB 4.16Å; L171-L179 HydrophobicContact CG-CD1 4.21Å; L171-I203 HydrophobicContact CB-CD1 4.11Å; L171-I203 HydrophobicContact CD1-CD1 4.21Å; L171-I203 HydrophobicContact CD2-CB 4.08Å; L171-I203 HydrophobicContact CD2-CD1 4.04Å; L171-I203 HydrophobicContact CD2-CG2 4.16Å; L171-I203 HydrophobicContact CG-CD1 4.35Å
172	N	91.7	Very high	93.5	Very high	55 Å²	55	59 Å²	59	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-75.5	-22.6	-172.9	-74.4	-63.1	0	0	0	114.6	V168 D169 L176	V168-N172 WeakPolarHBondContact CG1-ND2 3.32Å; V168-N172 WeakPolarHBondContact O-CB 3.48Å; V168-N172 PolarHBondContact O-N 3.06Å; V168-N172 PolarHBondContact O-ND2 2.82Å; D169-N172 PolarHBondContact O-N 2.82Å; N172-L176 WeakPolarHBondContact O-CD2 3.26Å
173	R	90	Very high	93.6	Very high	189 Å²	189	54.2 Å²	54.2	71%	0.713	26%	0.256	S	S	*	.	H	α-helix	trans	-116.6	-20.1	-175.1	-60.5	-167.2	177.1	143.4	-10.8	115.6	D169 L171	D169-R173 WeakPolarHBondContact O-CB 3.49Å; D169-R173 PolarHBondContact O-N 3.14Å; D169-R173 WeakPolarHBondContact OD1-CD 3.49Å; D169-R173 IonicContact OD1-CZ 2.66Å; D169-R173 IonicContact OD1-NE 2.64Å; D169-R173 PolarHBondContact OD1-NE 2.79Å; D169-R173 IonicContact OD1-NH1 2.95Å; D169-R173 PolarHBondContact OD1-NH1 3.06Å; D169-R173 IonicContact OD2-NH1 3.2Å; L171-R173 PolarHBondContact O-N 3.45Å
174	R	88.5	Confident	93.8	Very high	192 Å²	192	52 Å²	52	73%	0.725	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.1	-42.7	-172.4	-57.6	-175.4	-177.1	-160.2	-2.7	113	I170 L176	I170-R174 WeakPolarHBondContact O-CA 3.42Å; I170-R174 WeakPolarHBondContact O-CB 3.29Å; I170-R174 PolarHBondContact O-N 3.45Å; R174-L176 PolarHBondContact O-N 3.27Å
175	N	91.6	Very high	93.9	Very high	59 Å²	59	52.1 Å²	52.1	32%	0.316	24%	0.244	S	C	.	.			trans	-101.5	56	-174.8	-68.8	13.9	0	0	0	111.5	I170 L171 N177 E178 L179	I170-N175 PolarHBondContact O-N 3.02Å; L171-N175 CarbonylContact O-C 3.53Å; N175-N177 PolarHBondContact O-N 3.07Å; N175-N177 VanDerWaalsContact O-N 3.17Å; N175-E178 HydrophobicContact CB-CB 4.16Å; N175-E178 HydrophobicContact CB-CG 4.21Å; N175-E178 WeakPolarHBondContact CB-OE2 3.36Å; N175-E178 PolarHBondContact ND2-OE2 2.95Å; N175-E178 PolarHBondContact O-N 3.44Å; N175-L179 PolarHBondContact O-N 3.35Å
176	L	92.6	Very high	93.8	Very high	15 Å²	15	52.8 Å²	52.8	8%	0.079	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-27.2	-177.4	-58.9	-175.8	0	0	0	113.7	N172 R174 L179 G180 L279 A282 Y286 V457	N172-L176 WeakPolarHBondContact O-CD2 3.26Å; R174-L176 PolarHBondContact O-N 3.27Å; L176-L179 HydrophobicContact CD2-CD2 4.26Å; L176-L179 PolarHBondContact O-N 2.87Å; L176-G180 PolarHBondContact O-N 2.68Å; L176-L279 HydrophobicContact CD1-CD1 4.35Å; L176-L279 HydrophobicContact CD2-CD1 3.62Å; L176-A282 HydrophobicContact CD1-CB 3.47Å; L176-A282 VanDerWaalsContact CD1-CB 3.47Å; L176-Y286 HydrophobicContact CB-CD2 3.76Å; L176-Y286 HydrophobicContact CB-CE2 3.71Å; L176-V457 HydrophobicContact CB-CG1 4.07Å; L176-V457 HydrophobicContact CD2-CG1 4.2Å
177	N	92.6	Very high	93.9	Very high	85 Å²	85	47.1 Å²	47.1	46%	0.455	22%	0.217	S	C	.	.	H	α-helix	trans	-61	-47.8	170.1	-179.9	-25.6	0	0	0	111.8	N175 G180 M181 Y286 Y288	N175-N177 PolarHBondContact O-N 3.07Å; N175-N177 VanDerWaalsContact O-N 3.17Å; N177-G180 PolarHBondContact O-N 3.4Å; N177-M181 PolarHBondContact O-N 3.25Å; N177-Y286 HydrophobicContact CB-CD1 3.98Å; N177-Y286 HydrophobicContact CB-CE1 3.88Å; N177-Y288 WeakPolarHBondContact CA-OH 3.29Å; N177-Y288 PolarHBondContact O-OH 2.65Å; N177-Y288 PolarHBondContact OD1-OH 2.95Å
178	E	93.7	Very high	93.9	Very high	98 Å²	98	46.1 Å²	46.1	46%	0.458	21%	0.212	S	C	.	.	H	α-helix	trans	-66.7	-39.3	176.3	-63.7	-178.8	153.1	0	0	110.6	L171 N175 G180 M181 E182	L171-E178 HydrophobicContact CD1-CB 3.73Å; N175-E178 HydrophobicContact CB-CB 4.16Å; N175-E178 HydrophobicContact CB-CG 4.21Å; N175-E178 WeakPolarHBondContact CB-OE2 3.36Å; N175-E178 PolarHBondContact ND2-OE2 2.95Å; N175-E178 PolarHBondContact O-N 3.44Å; E178-G180 PolarHBondContact O-N 2.93Å; E178-M181 WeakPolarHBondContact O-CB 3.5Å; E178-M181 PolarHBondContact O-N 3.11Å; E178-E182 WeakPolarHBondContact O-CG 3.47Å; E178-E182 PolarHBondContact O-N 3.13Å
179	L	95.5	Very high	93.8	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.052	21%	0.209	C	C	.	.	H	α-helix	trans	-58.6	-46.2	174.7	179.9	60.6	0	0	0	111.7	L171 N175 L176 M181 E182 L183 R277 L279 V457	L171-L179 HydrophobicContact CD1-CB 4.05Å; L171-L179 HydrophobicContact CD2-CD1 4.19Å; L171-L179 HydrophobicContact CG-CB 4.16Å; L171-L179 HydrophobicContact CG-CD1 4.21Å; N175-L179 PolarHBondContact O-N 3.35Å; L176-L179 HydrophobicContact CD2-CD2 4.26Å; L176-L179 PolarHBondContact O-N 2.87Å; L179-M181 VanDerWaalsContact C-N 3.31Å; L179-M181 PolarHBondContact O-N 2.94Å; L179-E182 PolarHBondContact O-N 3.49Å; L179-L183 HydrophobicContact CD1-CD1 4.25Å; L179-L183 HydrophobicContact CD1-CG 4.23Å; L179-L183 HydrophobicContact CG-CD1 4.12Å; L179-L183 HydrophobicContact CG-CG 4.5Å; L179-L183 WeakPolarHBondContact O-CG 3.44Å; L179-L183 PolarHBondContact O-N 3.45Å; L179-R277 HydrophobicContact CD2-CG 4.31Å; L179-L279 HydrophobicContact CD2-CD1 4.47Å; L179-V457 HydrophobicContact CD2-CG1 4.02Å; L179-V457 HydrophobicContact CG-CG2 4.32Å
180	G	95.6	Very high	93.6	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-37.8	176.5	0	0	0	0	0	112.7	L176 N177 E178 L184 S455 V457	L176-G180 PolarHBondContact O-N 2.68Å; N177-G180 PolarHBondContact O-N 3.4Å; E178-G180 PolarHBondContact O-N 2.93Å; G180-L184 WeakPolarHBondContact O-CB 3.33Å; G180-L184 PolarHBondContact O-N 3.48Å; G180-S455 WeakPolarHBondContact O-CB 3.33Å; G180-S455 PolarHBondContact O-OG 3.14Å; G180-V457 VanDerWaalsContact CA-CG2 3.48Å
181	M	95.3	Very high	93.3	Very high	23 Å²	23	45 Å²	45	11%	0.113	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-39.8	172.9	-174.3	63.9	54.9	0	0	112.2	N177 E178 L179 L184 H185 Y288 F341	N177-M181 PolarHBondContact O-N 3.25Å; E178-M181 WeakPolarHBondContact O-CB 3.5Å; E178-M181 PolarHBondContact O-N 3.11Å; L179-M181 VanDerWaalsContact C-N 3.31Å; L179-M181 PolarHBondContact O-N 2.94Å; M181-L184 WeakPolarHBondContact O-CB 3.42Å; M181-L184 PolarHBondContact O-N 3.29Å; M181-L184 HydrophobicContact SD-CD2 4.17Å; M181-H185 PolarHBondContact O-N 3.48Å; M181-H185 PolarHBondContact O-ND1 3.36Å; M181-Y288 HydrophobicContact CE-CD1 3.63Å; M181-Y288 HydrophobicContact CE-CE1 3.6Å; M181-F341 HydrophobicContact CE-CD1 4.41Å; M181-F341 HydrophobicContact CE-CD2 4.26Å; M181-F341 HydrophobicContact CE-CE1 4.27Å; M181-F341 HydrophobicContact CE-CE2 4.13Å; M181-F341 HydrophobicContact CE-CG 4.41Å; M181-F341 HydrophobicContact CE-CZ 4.14Å; M181-F341 HydrophobicContact SD-CE2 4.34Å
182	E	95.5	Very high	92.9	Very high	18 Å²	18	47 Å²	47	8%	0.084	23%	0.228	C	C	.	.	H	α-helix	trans	-68.2	-44.6	177.2	-65.4	-56.2	108.3	0	0	111.6	R121 E178 L179 L184 H185 E186 S201 L202	R121-E182 IonicContact CZ-OE1 2.7Å; R121-E182 IonicContact CZ-OE2 2.72Å; R121-E182 IonicContact NH1-OE1 3.75Å; R121-E182 PolarHBondContact NH1-OE1 3.02Å; R121-E182 IonicContact NH1-OE2 3.69Å; R121-E182 PolarHBondContact NH1-OE2 3.16Å; R121-E182 VanDerWaalsContact NH2-CD 3.33Å; R121-E182 IonicContact NH2-OE1 3.3Å; R121-E182 PolarHBondContact NH2-OE1 2.99Å; R121-E182 IonicContact NH2-OE2 2.71Å; R121-E182 PolarHBondContact NH2-OE2 3.14Å; E178-E182 WeakPolarHBondContact O-CG 3.47Å; E178-E182 PolarHBondContact O-N 3.13Å; L179-E182 PolarHBondContact O-N 3.49Å; E182-L184 PolarHBondContact O-N 3.02Å; E182-H185 PolarHBondContact O-N 3.39Å; E182-H185 VanDerWaalsContact O-N 3.08Å; E182-E186 PolarHBondContact O-N 2.81Å; E182-E186 VanDerWaalsContact O-N 3.14Å; E182-S201 VanDerWaalsContact OE2-CA 3.3Å; E182-S201 WeakPolarHBondContact OE2-CA 3.19Å; E182-S201 PolarHBondContact OE2-OG 2.94Å; E182-L202 PolarHBondContact OE2-N 3.34Å
183	L	96.5	Very high	92.3	Very high	20 Å²	20	49.2 Å²	49.2	11%	0.105	24%	0.24	C	C	.	.	H	α-helix	trans	-63.5	-28.5	174.5	-63.8	174.3	0	0	0	112.8	L179 H185 E186 A187 I275 R277 V457	L179-L183 HydrophobicContact CD1-CD1 4.25Å; L179-L183 HydrophobicContact CD1-CG 4.23Å; L179-L183 HydrophobicContact CG-CD1 4.12Å; L179-L183 HydrophobicContact CG-CG 4.5Å; L179-L183 WeakPolarHBondContact O-CG 3.44Å; L179-L183 PolarHBondContact O-N 3.45Å; L183-H185 VanDerWaalsContact C-N 3.35Å; L183-E186 PolarHBondContact O-N 2.66Å; L183-A187 WeakPolarHBondContact O-CB 3.25Å; L183-A187 PolarHBondContact O-N 2.86Å; L183-I275 HydrophobicContact CB-CG2 4.3Å; L183-I275 HydrophobicContact CD1-CG2 4.43Å; L183-I275 HydrophobicContact CD2-CG2 4.06Å; L183-I275 HydrophobicContact CG-CG2 4.5Å; L183-R277 HydrophobicContact CD1-CB 3.65Å; L183-R277 HydrophobicContact CD1-CG 4.21Å; L183-V457 HydrophobicContact CD1-CG2 3.8Å
184	L	96.8	Very high	91.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-40	172.6	179.7	72.6	0	0	0	111.6	G180 M181 E182 A187 A188 A290 F341 A453	G180-L184 WeakPolarHBondContact O-CB 3.33Å; G180-L184 PolarHBondContact O-N 3.48Å; M181-L184 WeakPolarHBondContact O-CB 3.42Å; M181-L184 PolarHBondContact O-N 3.29Å; M181-L184 HydrophobicContact SD-CD2 4.17Å; E182-L184 PolarHBondContact O-N 3.02Å; L184-A187 PolarHBondContact O-N 3.45Å; L184-A188 WeakPolarHBondContact O-CB 3.28Å; L184-A188 PolarHBondContact O-N 2.82Å; L184-A290 HydrophobicContact CD1-CB 4.03Å; L184-A290 HydrophobicContact CD2-CB 3.95Å; L184-A290 HydrophobicContact CG-CB 4.37Å; L184-F341 HydrophobicContact CD2-CE2 3.86Å; L184-F341 HydrophobicContact CD2-CZ 3.52Å; L184-A453 HydrophobicContact CD1-CB 3.95Å; L184-A453 WeakPolarHBondContact CD1-O 3.48Å
185	H	95.2	Very high	91.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-70.3	-39	178.1	-69.9	80.6	0	0	0	111.1	R121 M181 E182 L183 A187 A188 F189 G199 Y345	R121-H185 VanDerWaalsContact CZ-CG 3.43Å; R121-H185 PolarHBondContact NE-CD2 2.92Å; M181-H185 PolarHBondContact O-N 3.48Å; M181-H185 PolarHBondContact O-ND1 3.36Å; E182-H185 PolarHBondContact O-N 3.39Å; E182-H185 VanDerWaalsContact O-N 3.08Å; L183-H185 VanDerWaalsContact C-N 3.35Å; H185-A187 VanDerWaalsContact C-N 3.35Å; H185-A188 PolarHBondContact O-N 3.41Å; H185-F189 PolarHBondContact O-N 2.92Å; H185-G199 WeakPolarHBondContact O-CA 3.39Å; H185-Y345 PolarHBondContact CD2-OH 3.45Å; H185-Y345 AromaticContact NE2-CZ 3.84Å; H185-Y345 PolarHBondContact NE2-OH 3.46Å
186	E	94.8	Very high	91.1	Very high	77 Å²	77	31.5 Å²	31.5	36%	0.36	18%	0.18	S	C	.	.	H	α-helix	trans	-57.9	-46.6	171.7	-167.1	178.7	155.7	0	0	110.9	E182 L183 A188 G190 T191 I275	E182-E186 PolarHBondContact O-N 2.81Å; E182-E186 VanDerWaalsContact O-N 3.14Å; L183-E186 PolarHBondContact O-N 2.66Å; E186-A188 PolarHBondContact O-N 2.64Å; E186-G190 VanDerWaalsContact O-CA 3.23Å; E186-G190 WeakPolarHBondContact O-CA 3.03Å; E186-G190 PolarHBondContact O-N 2.91Å; E186-T191 HydrophobicContact CG-CG2 3.83Å; E186-I275 HydrophobicContact CB-CD1 3.79Å; E186-I275 HydrophobicContact CG-CD1 3.67Å
187	A	95.1	Very high	90.8	Very high	8 Å²	8	31.1 Å²	31.1	7%	0.066	18%	0.18	C	C	.	.	H	α-helix	trans	-67.3	-32.7	175.4	0	0	0	0	0	113.8	L183 L184 H185 G272 G273 I275 A453	L183-A187 WeakPolarHBondContact O-CB 3.25Å; L183-A187 PolarHBondContact O-N 2.86Å; L184-A187 PolarHBondContact O-N 3.45Å; H185-A187 VanDerWaalsContact C-N 3.35Å; A187-G272 CarbonylContact O-C 3.57Å; A187-G272 WeakPolarHBondContact O-CA 3.16Å; A187-G273 PolarHBondContact O-N 3.03Å; A187-I275 HydrophobicContact CB-CB 4.44Å; A187-I275 HydrophobicContact CB-CD1 3.9Å; A187-I275 HydrophobicContact CB-CG1 3.91Å; A187-A453 HydrophobicContact CB-CB 4.35Å
188	A	94.4	Very high	90.8	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-76	-39.1	-177.9	0	0	0	0	0	113.5	L184 H185 E186 F270 V271 G272 L350 A453	L184-A188 WeakPolarHBondContact O-CB 3.28Å; L184-A188 PolarHBondContact O-N 2.82Å; H185-A188 PolarHBondContact O-N 3.41Å; E186-A188 PolarHBondContact O-N 2.64Å; A188-F270 HydrophobicContact CB-CD2 4.05Å; A188-F270 HydrophobicContact CB-CE2 3.61Å; A188-F270 HydrophobicContact CB-CZ 4.44Å; A188-F270 WeakPolarHBondContact O-CD2 3.24Å; A188-V271 PolarHBondContact O-N 3.03Å; A188-G272 PolarHBondContact O-N 3Å; A188-G272 VanDerWaalsContact O-N 3.16Å; A188-L350 HydrophobicContact CB-CD1 4.16Å; A188-L350 HydrophobicContact CB-CD2 4.17Å; A188-A453 HydrophobicContact CB-CB 3.66Å
189	F	92.8	Very high	90.7	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-123.3	-15.3	-167.5	-62.4	-63.9	0	0	0	114.2	H185 C196 L198 F270 Y345 H348 L350	H185-F189 PolarHBondContact O-N 2.92Å; F189-C196 WeakPolarHBondContact CD1-SG 3.48Å; F189-L198 HydrophobicContact CB-CB 4.29Å; F189-L198 HydrophobicContact CD1-CB 4.38Å; F189-L198 HydrophobicContact CD1-CD1 4.49Å; F189-L198 HydrophobicContact CD2-CB 3.43Å; F189-L198 VanDerWaalsContact CD2-CB 3.43Å; F189-L198 HydrophobicContact CD2-CD1 4.43Å; F189-L198 HydrophobicContact CE1-CD1 4.06Å; F189-L198 HydrophobicContact CE2-CB 3.7Å; F189-L198 HydrophobicContact CE2-CD1 3.98Å; F189-L198 HydrophobicContact CE2-CG 4.49Å; F189-L198 HydrophobicContact CG-CB 3.8Å; F189-L198 HydrophobicContact CZ-CB 4.29Å; F189-L198 HydrophobicContact CZ-CD1 3.78Å; F189-F270 HydrophobicContact CE1-CD2 4.32Å; F189-Y345 HydrophobicContact CE2-CE2 4.37Å; F189-H348 HydrophobicContact CE1-CB 4.03Å; F189-H348 AromaticContact CE1-CG 3.98Å; F189-H348 HydrophobicContact CZ-CB 4.08Å; F189-L350 HydrophobicContact CE2-CD1 3.78Å; F189-L350 HydrophobicContact CE2-CD2 4.23Å; F189-L350 HydrophobicContact CE2-CG 4.1Å; F189-L350 HydrophobicContact CZ-CD1 4.19Å; F189-L350 HydrophobicContact CZ-CD2 3.87Å; F189-L350 HydrophobicContact CZ-CG 3.99Å
190	G	90.9	Very high	90.6	Very high	22 Å²	22	22.4 Å²	22.4	23%	0.227	14%	0.137	C	C	.	.			trans	68.9	175.8	-174.7	0	0	0	0	0	114.1	E186 G199	E186-G190 VanDerWaalsContact O-CA 3.23Å; E186-G190 WeakPolarHBondContact O-CA 3.03Å; E186-G190 PolarHBondContact O-N 2.91Å; G190-G199 WeakPolarHBondContact O-CA 3.43Å
191	T	86.9	Confident	90.5	Very high	63 Å²	63	23.9 Å²	23.9	39%	0.387	15%	0.147	S	C	.	.	S	Bend	trans	-118.1	40.4	-179.6	65	0	0	0	0	111.9	E186 Y200	E186-T191 HydrophobicContact CG-CG2 3.83Å; T191-Y200 HydrophobicContact CG2-CD1 4.35Å; T191-Y200 HydrophobicContact CG2-CE1 4.39Å; T191-Y200 PolarHBondContact O-OH 2.79Å
192	S	85	Confident	90.4	Very high	50 Å²	50	24.6 Å²	24.6	35%	0.35	15%	0.151	S	C	.	.			trans	-88.8	145.8	177	55.9	0	0	0	0	111.6	S194 G195	S192-S194 PolarHBondContact O-N 2.97Å; S192-G195 PolarHBondContact O-N 3.28Å; S192-G195 WeakPolarHBondContact OG-CA 3.39Å; S192-G195 PolarHBondContact OG-N 3.02Å
193	D	79.7	Confident	90.3	Very high	102 Å²	102	25.1 Å²	25.1	55%	0.545	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.4	173.9	-75.9	-38.9	0	0	0	112.9	S70 S71 G195	S70-D193 WeakPolarHBondContact CA-OD1 3.3Å; S70-D193 WeakPolarHBondContact CB-OD1 3.18Å; S71-D193 WeakPolarHBondContact CB-OD1 3.49Å; S71-D193 WeakPolarHBondContact CB-OD2 3.45Å; S71-D193 PolarHBondContact N-OD1 3.42Å; D193-G195 VanDerWaalsContact C-N 3.33Å
194	S	78.4	Confident	90.1	Very high	58 Å²	58	24.2 Å²	24.2	41%	0.406	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5	171	63.8	0	0	0	0	113.6	S192 G266 H268	S192-S194 PolarHBondContact O-N 2.97Å; S194-G266 CarbonylContact O-C 3.25Å; S194-G266 VanDerWaalsContact O-CA 3.27Å; S194-G266 WeakPolarHBondContact O-CA 3.33Å; S194-H268 PolarHBondContact O-CD2 3.24Å; S194-H268 VanDerWaalsContact O-CD2 3.26Å; S194-H268 PolarHBondContact OG-CD2 3.27Å
195	G	80.5	Confident	89.9	Confident	7 Å²	7	26.3 Å²	26.3	7%	0.072	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-74.1	172.9	-179	0	0	0	0	0	113.8	S192 D193 G197	S192-G195 PolarHBondContact O-N 3.28Å; S192-G195 WeakPolarHBondContact OG-CA 3.39Å; S192-G195 PolarHBondContact OG-N 3.02Å; D193-G195 VanDerWaalsContact C-N 3.33Å; G195-G197 PolarHBondContact O-N 2.97Å
196	C	84.3	Confident	89.8	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.02	19%	0.191	C	C	.	.			trans	-69.5	-3	171.2	63.6	0	0	0	0	114.9	R67 F189 L198 H268	R67-C196 WeakPolarHBondContact CG-O 3.19Å; R67-C196 PolarHBondContact NE-O 3.19Å; F189-C196 WeakPolarHBondContact CD1-SG 3.48Å; C196-L198 PolarHBondContact O-N 3.17Å; C196-L198 VanDerWaalsContact O-N 3.11Å; C196-H268 PolarHBondContact N-O 2.85Å; C196-H268 VanDerWaalsContact N-O 3.14Å
197	G	88	Confident	89.7	Confident	7 Å²	7	30.5 Å²	30.5	7%	0.072	20%	0.198	C	C	.	.	S	Bend	trans	74.3	-12.7	179.1	0	0	0	0	0	115.8	G195 G199 Y200	G195-G197 PolarHBondContact O-N 2.97Å; G197-G199 PolarHBondContact O-N 3.02Å; G197-G199 VanDerWaalsContact O-N 3.13Å; G197-Y200 VanDerWaalsContact O-CD2 3.3Å; G197-Y200 WeakPolarHBondContact O-CD2 3.48Å; G197-Y200 PolarHBondContact O-N 3.02Å; G197-Y200 VanDerWaalsContact O-N 3.15Å
198	L	91	Very high	89.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.4	-176.3	-69.5	170.9	0	0	0	114.3	R67 R121 E122 F189 C196 Y200 Y345 H348	R67-L198 HydrophobicContact CB-CD2 4.24Å; R67-L198 HydrophobicContact CG-CD2 4.03Å; R67-L198 HydrophobicContact CG-CG 4.33Å; R121-L198 HydrophobicContact CB-CD2 4.16Å; R121-L198 PolarHBondContact NE-O 2.87Å; E122-L198 HydrophobicContact CG-CD2 4.26Å; F189-L198 HydrophobicContact CB-CB 4.29Å; F189-L198 HydrophobicContact CD1-CB 4.38Å; F189-L198 HydrophobicContact CD1-CD1 4.49Å; F189-L198 HydrophobicContact CD2-CB 3.43Å; F189-L198 VanDerWaalsContact CD2-CB 3.43Å; F189-L198 HydrophobicContact CD2-CD1 4.43Å; F189-L198 HydrophobicContact CE1-CD1 4.06Å; F189-L198 HydrophobicContact CE2-CB 3.7Å; F189-L198 HydrophobicContact CE2-CD1 3.98Å; F189-L198 HydrophobicContact CE2-CG 4.49Å; F189-L198 HydrophobicContact CG-CB 3.8Å; F189-L198 HydrophobicContact CZ-CB 4.29Å; F189-L198 HydrophobicContact CZ-CD1 3.78Å; C196-L198 PolarHBondContact O-N 3.17Å; C196-L198 VanDerWaalsContact O-N 3.11Å; L198-Y200 VanDerWaalsContact C-N 3.34Å; L198-Y345 HydrophobicContact CD1-CD2 3.7Å; L198-Y345 HydrophobicContact CD1-CE2 4.42Å; L198-Y345 HydrophobicContact CD1-CG 3.84Å; L198-Y345 HydrophobicContact CD2-CD1 3.68Å; L198-Y345 HydrophobicContact CD2-CD2 4.11Å; L198-Y345 HydrophobicContact CD2-CE1 4.07Å; L198-Y345 HydrophobicContact CD2-CE2 4.45Å; L198-Y345 HydrophobicContact CD2-CG 3.72Å; L198-Y345 HydrophobicContact CG-CG 4.45Å; L198-H348 HydrophobicContact CD1-CB 4Å
199	G	91.7	Very high	89.5	Confident	2 Å²	2	33.7 Å²	33.7	2%	0.021	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-14.2	176.1	0	0	0	0	0	114.8	H185 G190 G197 S201	H185-G199 WeakPolarHBondContact O-CA 3.39Å; G190-G199 WeakPolarHBondContact O-CA 3.43Å; G197-G199 PolarHBondContact O-N 3.02Å; G197-G199 VanDerWaalsContact O-N 3.13Å; G199-S201 PolarHBondContact O-N 3.44Å
200	Y	93.7	Very high	89.4	Confident	8 Å²	8	35.2 Å²	35.2	3%	0.031	23%	0.228	C	C	.	.	S	Bend	trans	-68.6	131	172.7	-64.7	-59.7	0	0	0	111.2	S66 E69 S71 R74 R121 T191 G197 L198	S66-Y200 WeakPolarHBondContact CB-O 3.34Å; S66-Y200 WeakPolarHBondContact O-CB 3.38Å; S66-Y200 PolarHBondContact OG-O 3.33Å; E69-Y200 HydrophobicContact CB-CD2 4Å; E69-Y200 HydrophobicContact CB-CE2 4.46Å; E69-Y200 HydrophobicContact CB-CG 4.3Å; E69-Y200 WeakPolarHBondContact O-CE2 3.28Å; S71-Y200 WeakPolarHBondContact CA-OH 3.32Å; S71-Y200 PolarHBondContact N-OH 3.41Å; R74-Y200 HydrophobicContact CB-CD1 4.25Å; R74-Y200 HydrophobicContact CB-CE1 4.36Å; R121-Y200 PolarHBondContact NH2-O 3.18Å; T191-Y200 HydrophobicContact CG2-CD1 4.35Å; T191-Y200 HydrophobicContact CG2-CE1 4.39Å; T191-Y200 PolarHBondContact O-OH 2.79Å; G197-Y200 VanDerWaalsContact O-CD2 3.3Å; G197-Y200 WeakPolarHBondContact O-CD2 3.48Å; G197-Y200 PolarHBondContact O-N 3.02Å; G197-Y200 VanDerWaalsContact O-N 3.15Å; L198-Y200 VanDerWaalsContact C-N 3.34Å
201	S	93.6	Very high	89.5	Confident	31 Å²	31	36.8 Å²	36.8	22%	0.217	24%	0.235	C	C	.	.			trans	-62.7	145	-179.6	176.4	0	0	0	0	112.4	S66 E182 G199 I203	S66-S201 WeakPolarHBondContact CB-O 3.32Å; E182-S201 VanDerWaalsContact OE2-CA 3.3Å; E182-S201 WeakPolarHBondContact OE2-CA 3.19Å; E182-S201 PolarHBondContact OE2-OG 2.94Å; G199-S201 PolarHBondContact O-N 3.44Å; S201-I203 WeakPolarHBondContact CB-O 3.32Å; S201-I203 PolarHBondContact O-N 3.14Å; S201-I203 PolarHBondContact OG-N 3.39Å; S201-I203 VanDerWaalsContact OG-N 3.07Å; S201-I203 PolarHBondContact OG-O 3.39Å
202	L	93.2	Very high	89.8	Confident	38 Å²	38	34.2 Å²	34.2	20%	0.199	22%	0.219	C	C	.	.	S	Bend	trans	-65.3	-18.6	169.7	-71.3	171.9	0	0	0	112.7	R81 R121 E182	R81-L202 PolarHBondContact NH1-O 3.05Å; R81-L202 PolarHBondContact NH2-O 3.28Å; R121-L202 HydrophobicContact CG-CD2 3.88Å; R121-L202 HydrophobicContact CG-CG 4.19Å; E182-L202 PolarHBondContact OE2-N 3.34Å
203	I	93.5	Very high	90.3	Very high	29 Å²	29	34.2 Å²	34.2	15%	0.149	22%	0.219	C	C	.	.	S	Bend	trans	-119.7	130.1	-179.4	-67	175.5	0	0	0	108.1	V168 L171 S201	V168-I203 HydrophobicContact CG2-CG2 3.8Å; L171-I203 HydrophobicContact CB-CD1 4.11Å; L171-I203 HydrophobicContact CD1-CD1 4.21Å; L171-I203 HydrophobicContact CD2-CB 4.08Å; L171-I203 HydrophobicContact CD2-CD1 4.04Å; L171-I203 HydrophobicContact CD2-CG2 4.16Å; L171-I203 HydrophobicContact CG-CD1 4.35Å; S201-I203 WeakPolarHBondContact CB-O 3.32Å; S201-I203 PolarHBondContact O-N 3.14Å; S201-I203 PolarHBondContact OG-N 3.39Å; S201-I203 VanDerWaalsContact OG-N 3.07Å; S201-I203 PolarHBondContact OG-O 3.39Å
204	S	93.2	Very high	91	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	21%	0.209	C	C	.	.			trans	-57.6	134.1	-179.6	-174.1	0	0	0	0	110.6	H78 V168	H78-S204 WeakPolarHBondContact ND1-CB 3.44Å; H78-S204 PolarHBondContact ND1-N 2.89Å; V168-S204 WeakPolarHBondContact CG2-O 3.39Å
205	P	92.4	Very high	91.7	Very high	45 Å²	45	35.5 Å²	35.5	29%	0.292	22%	0.221	S	C	.	.			trans	-67.6	152.4	175.7	31.2	-35.6	0	0	0	110.4	R74 D207 R208	R74-P205 HydrophobicContact CG-CG 4.15Å; P205-D207 WeakPolarHBondContact CB-OD1 3.41Å; P205-D207 PolarHBondContact O-N 3.37Å; P205-D207 VanDerWaalsContact O-N 3.1Å; P205-R208 HydrophobicContact CG-CB 4.07Å; P205-R208 HydrophobicContact CG-CG 3.69Å; P205-R208 PolarHBondContact O-N 3Å
206	A	92.5	Very high	92.4	Very high	72 Å²	72	37.7 Å²	37.7	60%	0.595	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-33.4	-166.6	0	0	0	0	0	114.1	V168 R208	V168-A206 HydrophobicContact CG1-CB 3.88Å; A206-R208 VanDerWaalsContact C-N 3.28Å; A206-R208 PolarHBondContact O-N 2.75Å
207	D	92.3	Very high	92.9	Very high	94 Å²	94	37.5 Å²	37.5	50%	0.503	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-19.9	178.8	65.3	-64	0	0	0	113.8	R74 P205	R74-D207 IonicContact CZ-OD2 2.67Å; R74-D207 IonicContact NE-OD2 3.72Å; R74-D207 IonicContact NH2-OD1 3.66Å; R74-D207 IonicContact NH2-OD2 3.53Å; R74-D207 PolarHBondContact NH2-OD2 3.34Å; P205-D207 WeakPolarHBondContact CB-OD1 3.41Å; P205-D207 PolarHBondContact O-N 3.37Å; P205-D207 VanDerWaalsContact O-N 3.1Å
208	R	92.3	Very high	93.2	Very high	46 Å²	46	40.5 Å²	40.5	17%	0.174	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-15.2	-175.4	-65.1	-61.1	-57.8	-173.1	1.8	114	K72 R74 P205 A206 G210 S211 H212	K72-R208 PolarHBondContact O-NH2 2.77Å; R74-R208 HydrophobicContact CG-CG 3.74Å; P205-R208 HydrophobicContact CG-CB 4.07Å; P205-R208 HydrophobicContact CG-CG 3.69Å; P205-R208 PolarHBondContact O-N 3Å; A206-R208 VanDerWaalsContact C-N 3.28Å; A206-R208 PolarHBondContact O-N 2.75Å; R208-G210 PolarHBondContact O-N 2.85Å; R208-S211 VanDerWaalsContact CA-OG 3.31Å; R208-S211 WeakPolarHBondContact CA-OG 3.39Å; R208-S211 PolarHBondContact NE-OG 3.08Å; R208-S211 VanDerWaalsContact NE-OG 3.08Å; R208-S211 PolarHBondContact O-N 2.99Å; R208-S211 PolarHBondContact O-OG 3.29Å; R208-H212 PolarHBondContact NH2-CE1 2.76Å; R208-H212 PolarHBondContact NH2-ND1 3.33Å; R208-H212 PolarHBondContact O-CD2 3.1Å
209	V	93.2	Very high	93.2	Very high	28 Å²	28	44.8 Å²	44.8	17%	0.17	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	107.3	179.1	-175.8	0	0	0	0	109.9	M164 V168	M164-V209 HydrophobicContact CB-CG1 3.78Å; M164-V209 HydrophobicContact CB-CG2 4.27Å; M164-V209 HydrophobicContact CE-CG2 4.47Å; V168-V209 HydrophobicContact CG2-CG2 4.18Å
210	G	91.9	Very high	93.3	Very high	34 Å²	34	45 Å²	45	35%	0.351	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	1.5	-177.9	0	0	0	0	0	116.3	R208	R208-G210 PolarHBondContact O-N 2.85Å
211	S	92.5	Very high	93.2	Very high	55 Å²	55	45.4 Å²	45.4	39%	0.385	26%	0.264	S	S	.	.			trans	-86.1	-11	-179.7	69.9	0	0	0	0	115.3	R208	R208-S211 VanDerWaalsContact CA-OG 3.31Å; R208-S211 WeakPolarHBondContact CA-OG 3.39Å; R208-S211 PolarHBondContact NE-OG 3.08Å; R208-S211 VanDerWaalsContact NE-OG 3.08Å; R208-S211 PolarHBondContact O-N 2.99Å; R208-S211 PolarHBondContact O-OG 3.29Å
212	H	94	Very high	93.1	Very high	9 Å²	9	45 Å²	45	4%	0.042	26%	0.262	C	S	.	.			trans	-81.6	136.7	-174.9	-60.1	-87.1	0	0	0	111.6	N73 R74 L79 R208 I217	N73-H212 PolarHBondContact O-CE1 3.2Å; R74-H212 PolarHBondContact O-CE1 2.91Å; R74-H212 VanDerWaalsContact O-CE1 3.25Å; R74-H212 PolarHBondContact O-NE2 2.91Å; L79-H212 HydrophobicContact CD1-CB 4.23Å; R208-H212 PolarHBondContact NH2-CE1 2.76Å; R208-H212 PolarHBondContact NH2-ND1 3.33Å; R208-H212 PolarHBondContact O-CD2 3.1Å; H212-I217 HydrophobicContact CB-CD1 4.29Å; H212-I217 HydrophobicContact CB-CG1 4.14Å
213	S	94.1	Very high	93	Very high	49 Å²	49	47.7 Å²	47.7	34%	0.343	27%	0.269	S	S	.	.			trans	-75.9	158.8	171.4	76.1	0	0	0	0	111.6	D215 Q216 I217	S213-D215 PolarHBondContact O-N 3.06Å; S213-Q216 VanDerWaalsContact N-OE1 3.07Å; S213-Q216 PolarHBondContact O-N 2.94Å; S213-Q216 WeakPolarHBondContact OG-CG 3.29Å; S213-Q216 PolarHBondContact OG-N 3.15Å; S213-I217 WeakPolarHBondContact O-CD1 3.47Å; S213-I217 VanDerWaalsContact O-CG1 3.3Å; S213-I217 WeakPolarHBondContact O-CG1 3.49Å; S213-I217 PolarHBondContact O-N 2.83Å; S213-I217 VanDerWaalsContact O-N 3.16Å
214	I	94.1	Very high	92.7	Very high	68 Å²	68	46.5 Å²	46.5	35%	0.349	26%	0.264	S	S	.	.	H	α-helix	trans	-60.9	-37.9	176.2	-63.8	173.2	0	0	0	110.4	A153 I217 N218	A153-I214 HydrophobicContact CB-CD1 4.37Å; I214-I217 PolarHBondContact O-N 2.86Å; I214-N218 PolarHBondContact O-N 2.94Å; I214-N218 PolarHBondContact O-ND2 3.1Å
215	D	94.6	Very high	92.5	Very high	120 Å²	120	46.7 Å²	46.7	64%	0.642	27%	0.265	S	S	*	.	H	α-helix	trans	-64.3	-42.6	178.5	-47.8	-54.6	0	0	0	112	S213 I217 N218 E219	S213-D215 PolarHBondContact O-N 3.06Å; D215-I217 VanDerWaalsContact C-N 3.29Å; D215-I217 PolarHBondContact O-N 2.96Å; D215-N218 PolarHBondContact O-N 3.23Å; D215-E219 VanDerWaalsContact O-CB 3.26Å; D215-E219 WeakPolarHBondContact O-CB 3.46Å; D215-E219 PolarHBondContact O-N 2.88Å
216	Q	94.4	Very high	92.4	Very high	52 Å²	52	45.1 Å²	45.1	24%	0.243	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-38	174.2	-74.6	171.3	-16.9	0	0	112.1	I76 S213 Y220	I76-Q216 HydrophobicContact CD1-CB 4.19Å; I76-Q216 WeakPolarHBondContact CD1-O 3.22Å; S213-Q216 VanDerWaalsContact N-OE1 3.07Å; S213-Q216 PolarHBondContact O-N 2.94Å; S213-Q216 WeakPolarHBondContact OG-CG 3.29Å; S213-Q216 PolarHBondContact OG-N 3.15Å; Q216-Y220 WeakPolarHBondContact O-CB 3.44Å; Q216-Y220 PolarHBondContact O-N 3.17Å
217	I	94.5	Very high	92.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.5	-46	178.2	-63.2	162.2	0	0	0	110.2	I76 L79 V80 Y151 L156 H212 S213 I214 D215 H221	I76-I217 HydrophobicContact CD1-CG1 4.13Å; I76-I217 HydrophobicContact CG1-CG1 4.37Å; L79-I217 HydrophobicContact CD1-CD1 3.7Å; L79-I217 HydrophobicContact CD1-CG1 4.03Å; L79-I217 HydrophobicContact CD2-CD1 3.92Å; L79-I217 HydrophobicContact CD2-CG1 4.1Å; L79-I217 HydrophobicContact CD2-CG2 4.01Å; V80-I217 HydrophobicContact CG2-CG2 4.47Å; Y151-I217 HydrophobicContact CD1-CG2 3.68Å; Y151-I217 HydrophobicContact CD2-CG2 3.74Å; Y151-I217 HydrophobicContact CE1-CG2 3.46Å; Y151-I217 VanDerWaalsContact CE1-CG2 3.46Å; Y151-I217 HydrophobicContact CE2-CG2 3.56Å; Y151-I217 HydrophobicContact CG-CG2 3.79Å; Y151-I217 VanDerWaalsContact CZ-CG2 3.41Å; L156-I217 HydrophobicContact CD1-CD1 3.9Å; H212-I217 HydrophobicContact CB-CD1 4.29Å; H212-I217 HydrophobicContact CB-CG1 4.14Å; S213-I217 WeakPolarHBondContact O-CD1 3.47Å; S213-I217 VanDerWaalsContact O-CG1 3.3Å; S213-I217 WeakPolarHBondContact O-CG1 3.49Å; S213-I217 PolarHBondContact O-N 2.83Å; S213-I217 VanDerWaalsContact O-N 3.16Å; I214-I217 PolarHBondContact O-N 2.86Å; D215-I217 VanDerWaalsContact C-N 3.29Å; D215-I217 PolarHBondContact O-N 2.96Å; I217-H221 WeakPolarHBondContact O-CB 3.37Å; I217-H221 PolarHBondContact O-N 3.29Å
218	N	93.5	Very high	92.1	Very high	70 Å²	70	43.7 Å²	43.7	37%	0.374	23%	0.233	S	C	.	.	H	α-helix	trans	-63.4	-43.5	176.2	-70.7	-25.8	0	0	0	112	Y151 I214 D215 H221 S222	Y151-N218 VanDerWaalsContact CD2-OD1 3.29Å; Y151-N218 WeakPolarHBondContact CD2-OD1 3.36Å; I214-N218 PolarHBondContact O-N 2.94Å; I214-N218 PolarHBondContact O-ND2 3.1Å; D215-N218 PolarHBondContact O-N 3.23Å; N218-H221 PolarHBondContact O-N 2.99Å; N218-S222 WeakPolarHBondContact O-CB 3.25Å; N218-S222 PolarHBondContact O-N 3.05Å; N218-S222 PolarHBondContact O-OG 3.17Å
219	E	92.5	Very high	92	Very high	89 Å²	89	42.9 Å²	42.9	42%	0.416	23%	0.231	S	C	.	.	H	α-helix	trans	-64.7	-44.6	179.2	-169.9	-159.2	169.4	0	0	112.2	D215 H221 S222 R223	D215-E219 VanDerWaalsContact O-CB 3.26Å; D215-E219 WeakPolarHBondContact O-CB 3.46Å; D215-E219 PolarHBondContact O-N 2.88Å; E219-H221 VanDerWaalsContact C-N 3.35Å; E219-S222 PolarHBondContact O-OG 3.09Å; E219-R223 WeakPolarHBondContact O-CD 3.29Å; E219-R223 VanDerWaalsContact O-CG 3.24Å; E219-R223 WeakPolarHBondContact O-CG 3.49Å; E219-R223 IonicContact OE1-CZ 2.71Å; E219-R223 IonicContact OE1-NE 3.62Å; E219-R223 IonicContact OE1-NH2 3.31Å; E219-R223 PolarHBondContact OE1-NH2 3.05Å
220	Y	92.8	Very high	92	Very high	6 Å²	6	41.6 Å²	41.6	2%	0.024	22%	0.223	C	C	.	.	H	α-helix	trans	-65.8	-40.5	175.7	173.2	-89.5	0	0	0	111.6	S64 G65 E69 I76 S77 V80 Q216	S64-Y220 PolarHBondContact OG-OH 3.28Å; G65-Y220 PolarHBondContact N-OH 2.68Å; G65-Y220 PolarHBondContact O-OH 3.4Å; E69-Y220 HydrophobicContact CG-CE2 4.08Å; I76-Y220 HydrophobicContact CD1-CG 4.37Å; I76-Y220 HydrophobicContact CG1-CD1 4.37Å; I76-Y220 HydrophobicContact CG1-CG 4.34Å; I76-Y220 HydrophobicContact CG2-CD1 3.82Å; I76-Y220 HydrophobicContact CG2-CD2 3.44Å; I76-Y220 VanDerWaalsContact CG2-CD2 3.44Å; I76-Y220 HydrophobicContact CG2-CE1 4.15Å; I76-Y220 HydrophobicContact CG2-CE2 3.77Å; I76-Y220 HydrophobicContact CG2-CG 3.47Å; I76-Y220 VanDerWaalsContact CG2-CG 3.47Å; S77-Y220 WeakPolarHBondContact CB-OH 3Å; V80-Y220 HydrophobicContact CG2-CD1 3.97Å; V80-Y220 HydrophobicContact CG2-CE1 4.2Å; Q216-Y220 WeakPolarHBondContact O-CB 3.44Å; Q216-Y220 PolarHBondContact O-N 3.17Å
221	H	92	Very high	92.1	Very high	17 Å²	17	40 Å²	40	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-65.1	-47.4	-179.9	178.2	-80.5	0	0	0	111.7	A146 S147 P149 Y151 I217 N218 E219 R223 G224 F225	A146-H221 PolarHBondContact O-CE1 3.21Å; A146-H221 PolarHBondContact O-NE2 2.72Å; S147-H221 PolarHBondContact O-CE1 3.18Å; P149-H221 WeakPolarHBondContact CD-NE2 3.42Å; P149-H221 WeakPolarHBondContact CG-NE2 3.33Å; Y151-H221 PolarHBondContact OH-CD2 3.11Å; I217-H221 WeakPolarHBondContact O-CB 3.37Å; I217-H221 PolarHBondContact O-N 3.29Å; N218-H221 PolarHBondContact O-N 2.99Å; E219-H221 VanDerWaalsContact C-N 3.35Å; H221-R223 VanDerWaalsContact C-N 3.32Å; H221-R223 PolarHBondContact O-N 3.37Å; H221-G224 PolarHBondContact O-N 3.45Å; H221-G224 VanDerWaalsContact O-N 3.08Å; H221-F225 AromaticContact CD2-CE2 3.8Å; H221-F225 AromaticContact CE1-CD2 3.39Å; H221-F225 WeakPolarHBondContact CE1-CD2 3.35Å; H221-F225 AromaticContact CE1-CE2 3.48Å; H221-F225 VanDerWaalsContact CE1-CE2 3.48Å; H221-F225 WeakPolarHBondContact CE1-CE2 3.16Å; H221-F225 AromaticContact ND1-CD2 3.9Å; H221-F225 AromaticContact NE2-CD2 3.62Å; H221-F225 AromaticContact NE2-CE2 3.18Å; H221-F225 WeakPolarHBondContact NE2-CE2 3.42Å; H221-F225 AromaticContact NE2-CZ 3.99Å; H221-F225 WeakPolarHBondContact O-CD2 3.41Å
222	S	91.2	Very high	92.2	Very high	24 Å²	24	37.3 Å²	37.3	17%	0.168	19%	0.188	C	C	.	.	H	α-helix	trans	-61.6	-36.5	-176	67.7	0	0	0	0	113.5	N218 E219 G224 F225 N257	N218-S222 WeakPolarHBondContact O-CB 3.25Å; N218-S222 PolarHBondContact O-N 3.05Å; N218-S222 PolarHBondContact O-OG 3.17Å; E219-S222 PolarHBondContact O-OG 3.09Å; S222-G224 PolarHBondContact O-N 2.69Å; S222-F225 PolarHBondContact O-N 3.24Å; S222-N257 WeakPolarHBondContact CA-ND2 3.46Å; S222-N257 PolarHBondContact O-ND2 3.47Å; S222-N257 VanDerWaalsContact O-ND2 3.1Å
223	R	90.7	Very high	92.2	Very high	93 Å²	93	36.9 Å²	36.9	35%	0.351	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.7	175.9	-69.6	166.3	-178.7	-145.5	2.6	114.3	E219 H221 K229	E219-R223 WeakPolarHBondContact O-CD 3.29Å; E219-R223 VanDerWaalsContact O-CG 3.24Å; E219-R223 WeakPolarHBondContact O-CG 3.49Å; E219-R223 IonicContact OE1-CZ 2.71Å; E219-R223 IonicContact OE1-NE 3.62Å; E219-R223 IonicContact OE1-NH2 3.31Å; E219-R223 PolarHBondContact OE1-NH2 3.05Å; H221-R223 VanDerWaalsContact C-N 3.32Å; H221-R223 PolarHBondContact O-N 3.37Å; R223-K229 PolarHBondContact O-NZ 2.86Å
224	G	87.1	Confident	92.1	Very high	4 Å²	4	34.6 Å²	34.6	4%	0.041	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-40.4	-180	0	0	0	0	0	113	V62 H221 S222 V226 K229	V62-G224 VanDerWaalsContact CG1-O 3.26Å; V62-G224 WeakPolarHBondContact CG1-O 3.42Å; H221-G224 PolarHBondContact O-N 3.45Å; H221-G224 VanDerWaalsContact O-N 3.08Å; S222-G224 PolarHBondContact O-N 2.69Å; G224-V226 PolarHBondContact O-N 2.69Å; G224-K229 WeakPolarHBondContact O-CB 3.4Å
225	F	90	Very high	91.9	Very high	5 Å²	5	31.7 Å²	31.7	2%	0.022	16%	0.155	C	C	.	.			trans	-83.2	57.8	-177.5	-70.6	-88.8	0	0	0	112.2	L60 V62 Y126 A146 H221 S222 I254 L256 N257	L60-F225 HydrophobicContact CD2-CE1 4.12Å; V62-F225 HydrophobicContact CG2-CE1 3.92Å; V62-F225 HydrophobicContact CG2-CZ 4.06Å; Y126-F225 HydrophobicContact CE2-CZ 4.13Å; A146-F225 HydrophobicContact CB-CE1 3.98Å; A146-F225 HydrophobicContact CB-CZ 3.91Å; A146-F225 VanDerWaalsContact O-CE2 3.32Å; A146-F225 WeakPolarHBondContact O-CE2 3.48Å; A146-F225 WeakPolarHBondContact O-CZ 3.36Å; H221-F225 AromaticContact CD2-CE2 3.8Å; H221-F225 AromaticContact CE1-CD2 3.39Å; H221-F225 WeakPolarHBondContact CE1-CD2 3.35Å; H221-F225 AromaticContact CE1-CE2 3.48Å; H221-F225 VanDerWaalsContact CE1-CE2 3.48Å; H221-F225 WeakPolarHBondContact CE1-CE2 3.16Å; H221-F225 AromaticContact ND1-CD2 3.9Å; H221-F225 AromaticContact NE2-CD2 3.62Å; H221-F225 AromaticContact NE2-CE2 3.18Å; H221-F225 WeakPolarHBondContact NE2-CE2 3.42Å; H221-F225 AromaticContact NE2-CZ 3.99Å; H221-F225 WeakPolarHBondContact O-CD2 3.41Å; S222-F225 PolarHBondContact O-N 3.24Å; F225-I254 HydrophobicContact CD1-CG2 4.5Å; F225-L256 WeakPolarHBondContact O-CA 3.44Å; F225-N257 PolarHBondContact O-N 3.29Å
226	V	90.7	Very high	91.5	Very high	12 Å²	12	26.3 Å²	26.3	7%	0.073	13%	0.126	C	C	.	.			trans	-104.3	141.7	166.3	-179.9	0	0	0	0	107.4	G224 E228 K229 C230 A259	G224-V226 PolarHBondContact O-N 2.69Å; V226-E228 PolarHBondContact O-N 3.47Å; V226-K229 HydrophobicContact CB-CB 4.49Å; V226-K229 HydrophobicContact CB-CD 4.23Å; V226-K229 HydrophobicContact CB-CG 4.31Å; V226-K229 WeakPolarHBondContact O-CA 3.36Å; V226-K229 WeakPolarHBondContact O-CB 3.42Å; V226-K229 PolarHBondContact O-N 3.48Å; V226-C230 PolarHBondContact O-N 2.87Å; V226-C230 PolarHBondContact O-SG 3.35Å; V226-A259 HydrophobicContact CG1-CB 4.25Å
227	G	87.9	Confident	90.7	Very high	4 Å²	4	25.2 Å²	25.2	4%	0.041	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-58	-44.7	-168.4	0	0	0	0	0	114.2	E39 G40 I41 K229 C230	E39-G227 WeakPolarHBondContact O-CA 3.4Å; G40-G227 CarbonylContact C-O 3.55Å; I41-G227 VanDerWaalsContact CA-O 3.29Å; I41-G227 WeakPolarHBondContact CA-O 3.28Å; I41-G227 PolarHBondContact N-O 2.77Å; G227-K229 PolarHBondContact O-N 2.94Å; G227-K229 VanDerWaalsContact O-N 3.17Å; G227-C230 PolarHBondContact O-N 3.46Å
228	E	89.3	Confident	89.5	Confident	132 Å²	132	28.9 Å²	28.9	62%	0.617	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-61.5	-23	176.6	-60.4	-179.9	169.8	0	0	114.3	V226 L414	V226-E228 PolarHBondContact O-N 3.47Å; E228-L414 WeakPolarHBondContact O-CD2 3.4Å
229	K	91.3	Very high	88.1	Confident	30 Å²	30	27.4 Å²	27.4	13%	0.13	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-87.7	-4.4	178	-66.3	-173.6	-178.3	-174.9	0	113.1	V62 K63 R223 G224 V226 G227 E262	V62-K229 CarbonylContact C-O 3.55Å; V62-K229 WeakPolarHBondContact CA-O 3.44Å; K63-K229 HydrophobicContact CB-CB 3.92Å; K63-K229 HydrophobicContact CB-CG 4.22Å; K63-K229 HydrophobicContact CD-CG 4.45Å; K63-K229 PolarHBondContact N-O 2.74Å; R223-K229 PolarHBondContact O-NZ 2.86Å; G224-K229 WeakPolarHBondContact O-CB 3.4Å; V226-K229 HydrophobicContact CB-CB 4.49Å; V226-K229 HydrophobicContact CB-CD 4.23Å; V226-K229 HydrophobicContact CB-CG 4.31Å; V226-K229 WeakPolarHBondContact O-CA 3.36Å; V226-K229 WeakPolarHBondContact O-CB 3.42Å; V226-K229 PolarHBondContact O-N 3.48Å; G227-K229 PolarHBondContact O-N 2.94Å; G227-K229 VanDerWaalsContact O-N 3.17Å; K229-E262 WeakPolarHBondContact CE-OE1 3.33Å; K229-E262 IonicContact NZ-OE1 2.79Å; K229-E262 PolarHBondContact NZ-OE1 3.32Å
230	C	93.7	Very high	87	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.4	-174.8	-63.2	0	0	0	0	111.4	I41 K42 L60 V226 G227	I41-C230 HydrophobicContact CG1-CB 4.24Å; I41-C230 HydrophobicContact CG2-CB 4.34Å; K42-C230 PolarHBondContact N-O 3.4Å; K42-C230 VanDerWaalsContact N-O 3.07Å; L60-C230 HydrophobicContact CD1-CB 4.47Å; V226-C230 PolarHBondContact O-N 2.87Å; V226-C230 PolarHBondContact O-SG 3.35Å; G227-C230 PolarHBondContact O-N 3.46Å
231	A	93.5	Very high	85.8	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.8	167.6	0	0	0	0	0	109.7	K42 V61 L414	K42-A231 HydrophobicContact CB-CB 4.26Å; K42-A231 CarbonylContact O-C 3.48Å; K42-A231 VanDerWaalsContact O-CA 3.26Å; K42-A231 WeakPolarHBondContact O-CA 3.39Å; V61-A231 HydrophobicContact CB-CB 4.44Å; V61-A231 PolarHBondContact N-O 2.93Å; V61-A231 PolarHBondContact O-N 3.31Å; A231-L414 HydrophobicContact CB-CD1 3.91Å; A231-L414 HydrophobicContact CB-CD2 4.21Å; A231-L414 HydrophobicContact CB-CG 3.92Å
232	L	94.7	Very high	85.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.7	179	-178.2	71.9	0	0	0	109.4	I41 K42 L43 V44 I58 L60 L247 V250 K251 I254	I41-L232 HydrophobicContact CG2-CB 4.29Å; K42-L232 PolarHBondContact O-N 3.13Å; L43-L232 WeakPolarHBondContact CA-O 3.42Å; L43-L232 HydrophobicContact CD2-CB 3.98Å; L43-L232 HydrophobicContact CD2-CD2 4.24Å; V44-L232 PolarHBondContact N-O 3.43Å; I58-L232 HydrophobicContact CG2-CD1 4.05Å; L60-L232 HydrophobicContact CB-CD1 4.08Å; L60-L232 HydrophobicContact CD1-CB 4.21Å; L60-L232 HydrophobicContact CD1-CD1 4.07Å; L232-L247 HydrophobicContact CD2-CD2 3.77Å; L232-L247 HydrophobicContact CG-CD2 3.75Å; L232-L247 WeakPolarHBondContact O-CD1 3.4Å; L232-V250 HydrophobicContact CD1-CG1 4.45Å; L232-V250 HydrophobicContact CD2-CB 4.27Å; L232-V250 HydrophobicContact CD2-CG1 3.84Å; L232-K251 HydrophobicContact CD2-CB 4.46Å; L232-I254 HydrophobicContact CD2-CD1 4.23Å
233	G	93.2	Very high	84.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.9	-176.1	0	0	0	0	0	113.4	V44 I58 A59	V44-G233 CarbonylContact O-C 3.57Å; V44-G233 VanDerWaalsContact O-CA 3.23Å; V44-G233 WeakPolarHBondContact O-CA 3.38Å; I58-G233 WeakPolarHBondContact CA-O 3.01Å; A59-G233 PolarHBondContact N-O 2.83Å; A59-G233 PolarHBondContact O-N 3.45Å
234	I	92.3	Very high	84.8	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.5	170.5	-168.3	165.6	0	0	0	111	V44 S45 L46 T56 R57 I58 I246 L247	V44-I234 PolarHBondContact O-N 3.34Å; S45-I234 VanDerWaalsContact OG-CG2 3.26Å; S45-I234 WeakPolarHBondContact OG-CG2 3.26Å; L46-I234 PolarHBondContact N-O 3.28Å; T56-I234 HydrophobicContact CG2-CD1 3.69Å; T56-I234 HydrophobicContact CG2-CG1 3.65Å; R57-I234 CarbonylContact O-C 3.51Å; R57-I234 WeakPolarHBondContact O-CA 2.99Å; I58-I234 HydrophobicContact CD1-CD1 4.4Å; I58-I234 HydrophobicContact CG1-CB 4.48Å; I58-I234 HydrophobicContact CG1-CD1 4.14Å; I58-I234 HydrophobicContact CG1-CG1 3.98Å; I234-I246 HydrophobicContact CD1-CB 4Å; I234-I246 HydrophobicContact CD1-CD1 4.22Å; I234-I246 HydrophobicContact CD1-CG2 3.66Å; I234-L247 HydrophobicContact CB-CD1 4.47Å; I234-L247 HydrophobicContact CB-CD2 3.76Å; I234-L247 HydrophobicContact CB-CG 4.09Å; I234-L247 HydrophobicContact CG2-CD1 3.84Å; I234-L247 HydrophobicContact CG2-CD2 3.92Å; I234-L247 HydrophobicContact CG2-CG 3.66Å
235	I	89.6	Confident	84.9	Confident	7 Å²	7	33.9 Å²	33.9	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121	165.9	-62.3	143.8	0	0	0	106.7	L46 Q48 T56 R57 P402 L406	L46-I235 HydrophobicContact CB-CG1 4.09Å; L46-I235 HydrophobicContact CD2-CG1 4.17Å; L46-I235 VanDerWaalsContact O-CA 3.31Å; L46-I235 WeakPolarHBondContact O-CA 3.45Å; Q48-I235 HydrophobicContact CB-CG2 3.76Å; T56-I235 CarbonylContact C-O 3.53Å; T56-I235 VanDerWaalsContact CA-O 3.28Å; T56-I235 WeakPolarHBondContact CA-O 3.34Å; T56-I235 WeakPolarHBondContact CG2-O 3.32Å; R57-I235 HydrophobicContact CB-CB 4.23Å; R57-I235 HydrophobicContact CB-CD1 4.12Å; R57-I235 HydrophobicContact CG-CD1 3.87Å; R57-I235 PolarHBondContact N-O 3.25Å; R57-I235 PolarHBondContact O-N 3.16Å; I235-P402 HydrophobicContact CD1-CB 4.02Å; I235-P402 HydrophobicContact CD1-CG 4.46Å; I235-P402 WeakPolarHBondContact CD1-O 3.27Å; I235-P402 HydrophobicContact CG1-CB 4.28Å; I235-P402 HydrophobicContact CG2-CB 4.06Å; I235-P402 HydrophobicContact CG2-CG 4.23Å; I235-L406 HydrophobicContact CD1-CB 3.84Å; I235-L406 HydrophobicContact CD1-CD2 3.67Å; I235-L406 HydrophobicContact CD1-CG 4.31Å; I235-L406 HydrophobicContact CG1-CB 4.17Å; I235-L406 HydrophobicContact CG1-CD1 4.47Å; I235-L406 HydrophobicContact CG1-CD2 3.93Å; I235-L406 HydrophobicContact CG1-CG 4.42Å
236	H	86.1	Confident	85	Confident	7 Å²	7	34.5 Å²	34.5	3%	0.032	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144	-178.9	61.3	103.3	0	0	0	111.6	S45 L46 Q48 T56 N238 I241	S45-H236 PolarHBondContact OG-CD2 2.76Å; S45-H236 PolarHBondContact OG-NE2 2.72Å; L46-H236 PolarHBondContact O-N 3.21Å; Q48-H236 PolarHBondContact N-O 2.88Å; T56-H236 HydrophobicContact CG2-CB 4.48Å; H236-N238 PolarHBondContact CE1-O 3.38Å; H236-N238 PolarHBondContact ND1-O 3.37Å; H236-I241 PolarHBondContact CE1-O 3.11Å; H236-I241 PolarHBondContact ND1-O 2.65Å
237	P	78.1	Confident	85.1	Confident	29 Å²	29	34 Å²	34	19%	0.188	18%	0.177	C	C	.	.	S	Bend	trans	-78.9	-26.3	-175.2	28.8	-34.1	0	0	0	114.4	Q48 P132	Q48-P237 WeakPolarHBondContact O-CA 3.41Å; P132-P237 HydrophobicContact CG-CG 3.7Å
238	N	69	Low	85.2	Confident	78 Å²	78	39.9 Å²	39.9	42%	0.417	20%	0.202	S	C	.	.			trans	-100.4	132	-169.9	-61.7	1.8	0	0	0	111	H236 D240 I241	H236-N238 PolarHBondContact CE1-O 3.38Å; H236-N238 PolarHBondContact ND1-O 3.37Å; N238-D240 PolarHBondContact O-N 3.48Å; N238-I241 HydrophobicContact CB-CB 4.38Å; N238-I241 HydrophobicContact CB-CD1 3.93Å; N238-I241 HydrophobicContact CB-CG1 3.93Å
239	S	65.5	Low	85.3	Confident	38 Å²	38	39.2 Å²	39.2	27%	0.266	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.4	170.2	44	0	0	0	0	113.5	K30	K30-S239 WeakPolarHBondContact CE-O 3.36Å; K30-S239 PolarHBondContact NZ-O 3.23Å
240	D	67.4	Low	85.3	Confident	143 Å²	143	37.8 Å²	37.8	77%	0.765	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-18.6	-166	-46.8	-20.3	0	0	0	111.9	N238	N238-D240 PolarHBondContact O-N 3.48Å
241	I	69.3	Low	85.2	Confident	47 Å²	47	38.8 Å²	38.8	24%	0.241	20%	0.195	C	C	.	.	S	Bend	trans	-80.7	122	171.1	-62.7	176.9	0	0	0	107.7	P132 H236 N238 G243 I246	P132-I241 HydrophobicContact CB-CD1 4.3Å; H236-I241 PolarHBondContact CE1-O 3.11Å; H236-I241 PolarHBondContact ND1-O 2.65Å; N238-I241 HydrophobicContact CB-CB 4.38Å; N238-I241 HydrophobicContact CB-CD1 3.93Å; N238-I241 HydrophobicContact CB-CG1 3.93Å; I241-G243 PolarHBondContact O-N 2.99Å; I241-G243 VanDerWaalsContact O-N 3.12Å; I241-I246 HydrophobicContact CG2-CD1 3.47Å; I241-I246 VanDerWaalsContact CG2-CD1 3.47Å; I241-I246 HydrophobicContact CG2-CG1 4.41Å
242	D	79.5	Confident	85	Confident	74 Å²	74	43.2 Å²	43.2	40%	0.396	23%	0.226	S	C	.	.			trans	-74.8	98.7	166	-176.5	15.5	0	0	0	109.8	M244 E245 I246	D242-M244 PolarHBondContact O-N 3Å; D242-M244 VanDerWaalsContact OD1-CB 3.27Å; D242-M244 WeakPolarHBondContact OD1-CB 3.39Å; D242-M244 PolarHBondContact OD1-N 3.28Å; D242-E245 HydrophobicContact CB-CB 4.03Å; D242-E245 WeakPolarHBondContact O-CB 3.47Å; D242-E245 PolarHBondContact O-N 3.49Å; D242-E245 VanDerWaalsContact O-N 3.1Å; D242-E245 PolarHBondContact OD2-N 3.38Å; D242-I246 PolarHBondContact O-N 3.39Å
243	G	84.8	Confident	84.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.9	-29.2	173.2	0	0	0	0	0	112.6	S45 I241 I246 L247	S45-G243 WeakPolarHBondContact OG-CA 3.47Å; I241-G243 PolarHBondContact O-N 2.99Å; I241-G243 VanDerWaalsContact O-N 3.12Å; G243-I246 PolarHBondContact O-N 3.2Å; G243-L247 WeakPolarHBondContact O-CG 3.47Å; G243-L247 PolarHBondContact O-N 2.83Å
244	M	88.1	Confident	84.5	Confident	12 Å²	12	43.8 Å²	43.8	6%	0.059	23%	0.229	C	C	.	.	H	α-helix	trans	-70.6	-31.5	177.4	-60.3	-61.8	-68	0	0	112.5	S33 T35 L43 S45 D242 L247 K248	S33-M244 WeakPolarHBondContact OG-CG 3.36Å; S33-M244 PolarHBondContact OG-SD 2.98Å; S33-M244 VanDerWaalsContact OG-SD 3.41Å; T35-M244 VanDerWaalsContact CB-CE 3.48Å; T35-M244 WeakPolarHBondContact OG1-CE 3.08Å; L43-M244 HydrophobicContact CB-CE 3.8Å; L43-M244 HydrophobicContact CD1-CE 4.45Å; S45-M244 VanDerWaalsContact CB-SD 3.59Å; D242-M244 PolarHBondContact O-N 3Å; D242-M244 VanDerWaalsContact OD1-CB 3.27Å; D242-M244 WeakPolarHBondContact OD1-CB 3.39Å; D242-M244 PolarHBondContact OD1-N 3.28Å; M244-L247 PolarHBondContact O-N 3.31Å; M244-L247 HydrophobicContact SD-CD1 4.16Å; M244-K248 WeakPolarHBondContact O-CB 3.16Å; M244-K248 VanDerWaalsContact O-CG 3.22Å; M244-K248 WeakPolarHBondContact O-CG 3.48Å; M244-K248 PolarHBondContact O-N 3.46Å
245	E	89.8	Confident	84.4	Confident	94 Å²	94	48.4 Å²	48.4	44%	0.439	25%	0.25	S	S	.	.	H	α-helix	trans	-66.7	-42.8	172.8	-161	-156.8	143.9	0	0	111.1	D242 K248 K249	D242-E245 HydrophobicContact CB-CB 4.03Å; D242-E245 WeakPolarHBondContact O-CB 3.47Å; D242-E245 PolarHBondContact O-N 3.49Å; D242-E245 VanDerWaalsContact O-N 3.1Å; D242-E245 PolarHBondContact OD2-N 3.38Å; E245-K248 PolarHBondContact O-N 3.48Å; E245-K249 WeakPolarHBondContact O-CG 3.49Å; E245-K249 PolarHBondContact O-N 3.37Å; E245-K249 WeakPolarHBondContact OE1-CE 3.13Å; E245-K249 IonicContact OE1-NZ 2.57Å; E245-K249 PolarHBondContact OE1-NZ 3.49Å
246	I	90.6	Very high	84.4	Confident	18 Å²	18	50.3 Å²	50.3	9%	0.092	26%	0.261	C	S	.	.	H	α-helix	trans	-60.7	-46.5	173.2	-63.2	174.7	0	0	0	109.9	A135 I234 I241 D242 G243 K248 K249 V250	A135-I246 HydrophobicContact CB-CD1 4.26Å; A135-I246 HydrophobicContact CB-CG2 4.27Å; I234-I246 HydrophobicContact CD1-CB 4Å; I234-I246 HydrophobicContact CD1-CD1 4.22Å; I234-I246 HydrophobicContact CD1-CG2 3.66Å; I241-I246 HydrophobicContact CG2-CD1 3.47Å; I241-I246 VanDerWaalsContact CG2-CD1 3.47Å; I241-I246 HydrophobicContact CG2-CG1 4.41Å; D242-I246 PolarHBondContact O-N 3.39Å; G243-I246 PolarHBondContact O-N 3.2Å; I246-K248 PolarHBondContact O-N 3.16Å; I246-K249 PolarHBondContact O-N 3.2Å; I246-V250 HydrophobicContact CG2-CG2 4.2Å; I246-V250 WeakPolarHBondContact O-CB 3.46Å; I246-V250 VanDerWaalsContact O-CG2 3.32Å; I246-V250 WeakPolarHBondContact O-CG2 3.45Å; I246-V250 PolarHBondContact O-N 3.3Å
247	L	92.6	Very high	84.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-43.7	177.2	-72.9	-169.6	0	0	0	112.5	L43 L232 I234 G243 M244 K249 V250 K251	L43-L247 HydrophobicContact CB-CD1 3.95Å; L43-L247 HydrophobicContact CD1-CB 4.42Å; L43-L247 HydrophobicContact CD2-CB 4.41Å; L232-L247 HydrophobicContact CD2-CD2 3.77Å; L232-L247 HydrophobicContact CG-CD2 3.75Å; L232-L247 WeakPolarHBondContact O-CD1 3.4Å; I234-L247 HydrophobicContact CB-CD1 4.47Å; I234-L247 HydrophobicContact CB-CD2 3.76Å; I234-L247 HydrophobicContact CB-CG 4.09Å; I234-L247 HydrophobicContact CG2-CD1 3.84Å; I234-L247 HydrophobicContact CG2-CD2 3.92Å; I234-L247 HydrophobicContact CG2-CG 3.66Å; G243-L247 WeakPolarHBondContact O-CG 3.47Å; G243-L247 PolarHBondContact O-N 2.83Å; M244-L247 PolarHBondContact O-N 3.31Å; M244-L247 HydrophobicContact SD-CD1 4.16Å; L247-K249 VanDerWaalsContact C-N 3.31Å; L247-K249 PolarHBondContact O-N 2.93Å; L247-V250 PolarHBondContact O-N 2.95Å; L247-K251 WeakPolarHBondContact O-CB 3.37Å; L247-K251 PolarHBondContact O-N 3.43Å
248	K	91.3	Very high	84.7	Confident	129 Å²	129	56.1 Å²	56.1	56%	0.561	30%	0.296	S	S	*	.	H	α-helix	trans	-58.9	-41.4	175.6	-73.9	164.5	-175	171.8	0	111.9	M244 E245 I246	M244-K248 WeakPolarHBondContact O-CB 3.16Å; M244-K248 VanDerWaalsContact O-CG 3.22Å; M244-K248 WeakPolarHBondContact O-CG 3.48Å; M244-K248 PolarHBondContact O-N 3.46Å; E245-K248 PolarHBondContact O-N 3.48Å; I246-K248 PolarHBondContact O-N 3.16Å
249	K	90.9	Very high	85	Confident	118 Å²	118	56.3 Å²	56.3	51%	0.513	31%	0.309	S	S	.	.	H	α-helix	trans	-68.2	-40	175.5	-73	170.1	174	171.4	0	112.9	E245 I246 L247 S252	E245-K249 WeakPolarHBondContact O-CG 3.49Å; E245-K249 PolarHBondContact O-N 3.37Å; E245-K249 WeakPolarHBondContact OE1-CE 3.13Å; E245-K249 IonicContact OE1-NZ 2.57Å; E245-K249 PolarHBondContact OE1-NZ 3.49Å; I246-K249 PolarHBondContact O-N 3.2Å; L247-K249 VanDerWaalsContact C-N 3.31Å; L247-K249 PolarHBondContact O-N 2.93Å; K249-S252 PolarHBondContact O-OG 2.93Å
250	V	91.2	Very high	85.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-71.3	-39	179.1	168.7	0	0	0	0	111.4	G139 C143 L232 I246 L247 S252 S253	G139-V250 WeakPolarHBondContact O-CG1 3.11Å; C143-V250 HydrophobicContact CB-CG1 4.4Å; C143-V250 WeakPolarHBondContact SG-CG1 3.34Å; L232-V250 HydrophobicContact CD1-CG1 4.45Å; L232-V250 HydrophobicContact CD2-CB 4.27Å; L232-V250 HydrophobicContact CD2-CG1 3.84Å; I246-V250 HydrophobicContact CG2-CG2 4.2Å; I246-V250 WeakPolarHBondContact O-CB 3.46Å; I246-V250 VanDerWaalsContact O-CG2 3.32Å; I246-V250 WeakPolarHBondContact O-CG2 3.45Å; I246-V250 PolarHBondContact O-N 3.3Å; L247-V250 PolarHBondContact O-N 2.95Å; V250-S252 PolarHBondContact O-N 2.9Å; V250-S253 WeakPolarHBondContact O-CB 3.37Å; V250-S253 PolarHBondContact O-N 3.26Å; V250-S253 PolarHBondContact O-OG 3.02Å
251	K	91.9	Very high	84.8	Confident	21 Å²	21	61.2 Å²	61.2	9%	0.091	32%	0.322	C	S	.	.	H	α-helix	trans	-54.1	-36.3	-177.4	-176.3	-138.5	167.2	-162.6	0	113	S37 E39 I41 L232 L247 S253 I254	S37-K251 VanDerWaalsContact CB-CE 3.45Å; S37-K251 WeakPolarHBondContact OG-CE 3.3Å; S37-K251 PolarHBondContact OG-NZ 3.03Å; E39-K251 VanDerWaalsContact CD-CE 3.48Å; E39-K251 IonicContact OE1-NZ 2.88Å; E39-K251 PolarHBondContact OE1-NZ 3.5Å; E39-K251 WeakPolarHBondContact OE2-CE 3.26Å; E39-K251 IonicContact OE2-NZ 3.83Å; E39-K251 PolarHBondContact OE2-NZ 2.91Å; I41-K251 HydrophobicContact CD1-CD 4.42Å; I41-K251 HydrophobicContact CD1-CG 3.71Å; L232-K251 HydrophobicContact CD2-CB 4.46Å; L247-K251 WeakPolarHBondContact O-CB 3.37Å; L247-K251 PolarHBondContact O-N 3.43Å; K251-S253 PolarHBondContact O-N 2.83Å; K251-I254 WeakPolarHBondContact O-CB 3.07Å; K251-I254 PolarHBondContact O-N 3.36Å
252	S	88.7	Confident	84.3	Confident	92 Å²	92	64.1 Å²	64.1	64%	0.643	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-13.9	178.9	63.5	0	0	0	0	115	K249 V250	K249-S252 PolarHBondContact O-OG 2.93Å; V250-S252 PolarHBondContact O-N 2.9Å
253	S	88.5	Confident	83.1	Confident	4 Å²	4	68.1 Å²	68.1	3%	0.028	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-1	175.7	68.4	0	0	0	0	114.6	F140 C143 S144 S147 V250 K251 H255	F140-S253 WeakPolarHBondContact CA-OG 3.43Å; F140-S253 VanDerWaalsContact CD2-CB 3.41Å; F140-S253 PolarHBondContact O-OG 2.97Å; C143-S253 WeakPolarHBondContact CB-OG 3.37Å; S144-S253 PolarHBondContact N-O 2.88Å; S147-S253 PolarHBondContact OG-O 3.49Å; V250-S253 WeakPolarHBondContact O-CB 3.37Å; V250-S253 PolarHBondContact O-N 3.26Å; V250-S253 PolarHBondContact O-OG 3.02Å; K251-S253 PolarHBondContact O-N 2.83Å; S253-H255 PolarHBondContact O-N 3.13Å
254	I	89.8	Confident	81.4	Confident	9 Å²	9	71 Å²	71	5%	0.046	38%	0.384	C	S	.	.			trans	-84.1	105.5	174.2	-59.2	170.4	0	0	0	107.5	I41 L60 C143 F225 L232 K251 L256	I41-I254 HydrophobicContact CD1-CB 4.28Å; I41-I254 HydrophobicContact CD1-CD1 3.87Å; I41-I254 HydrophobicContact CD1-CG2 4.28Å; L60-I254 HydrophobicContact CD1-CD1 4.11Å; C143-I254 HydrophobicContact CB-CG1 3.6Å; F225-I254 HydrophobicContact CD1-CG2 4.5Å; L232-I254 HydrophobicContact CD2-CD1 4.23Å; K251-I254 WeakPolarHBondContact O-CB 3.07Å; K251-I254 PolarHBondContact O-N 3.36Å; I254-L256 HydrophobicContact CG2-CD2 3.62Å; I254-L256 HydrophobicContact CG2-CG 4.06Å; I254-L256 PolarHBondContact O-N 3.27Å; I254-L256 VanDerWaalsContact O-N 3.08Å
255	H	89.2	Confident	79.6	Confident	96 Å²	96	73.7 Å²	73.7	44%	0.444	40%	0.404	S	S	.	.			trans	-70.5	102.9	170.1	-64	122.5	0	0	0	109.4	S147 S148 S253	S147-H255 WeakPolarHBondContact CB-O 3.5Å; S147-H255 PolarHBondContact OG-N 3.28Å; S148-H255 WeakPolarHBondContact CB-ND1 3.2Å; S148-H255 PolarHBondContact OG-ND1 3.12Å; S253-H255 PolarHBondContact O-N 3.13Å
256	L	89.1	Confident	77.7	Confident	48 Å²	48	70.5 Å²	70.5	25%	0.251	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-90.7	141.5	176.9	-66.4	179.5	0	0	0	111.4	E39 I41 F225 I254	E39-L256 HydrophobicContact CB-CD1 3.58Å; E39-L256 HydrophobicContact CG-CD1 4.13Å; I41-L256 HydrophobicContact CD1-CD1 3.72Å; I41-L256 HydrophobicContact CD1-CD2 4.15Å; I41-L256 HydrophobicContact CD1-CG 4.18Å; I41-L256 HydrophobicContact CG1-CD1 3.95Å; I41-L256 HydrophobicContact CG1-CD2 4.31Å; F225-L256 WeakPolarHBondContact O-CA 3.44Å; I254-L256 HydrophobicContact CG2-CD2 3.62Å; I254-L256 HydrophobicContact CG2-CG 4.06Å; I254-L256 PolarHBondContact O-N 3.27Å; I254-L256 VanDerWaalsContact O-N 3.08Å
257	N	87.5	Confident	76.1	Confident	55 Å²	55	73.8 Å²	73.8	29%	0.294	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-93.7	155.4	169.8	-60.4	-71.4	0	0	0	110	S222 F225	S222-N257 WeakPolarHBondContact CA-ND2 3.46Å; S222-N257 PolarHBondContact O-ND2 3.47Å; S222-N257 VanDerWaalsContact O-ND2 3.1Å; F225-N257 PolarHBondContact O-N 3.29Å
258	P	83.9	Confident	74.6	Confident	102 Å²	102	79.1 Å²	79.1	66%	0.662	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-57.1	155.6	172.6	25.1	-35.2	0	0	0	111.5	H260	P258-H260 PolarHBondContact O-CE1 2.96Å; P258-H260 PolarHBondContact O-N 2.98Å; P258-H260 VanDerWaalsContact O-N 3.15Å; P258-H260 PolarHBondContact O-ND1 3.41Å
259	A	75.4	Confident	74	Confident	83 Å²	83	73.7 Å²	73.7	69%	0.686	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-60.6	119.3	173.6	0	0	0	0	0	109.8	V226	V226-A259 HydrophobicContact CG1-CB 4.25Å
260	H	69	Low	74	Confident	87 Å²	87	69.4 Å²	69.4	40%	0.403	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-87	141.6	173.7	-64.6	63.6	0	0	0	108.5	P258 E262	P258-H260 PolarHBondContact O-CE1 2.96Å; P258-H260 PolarHBondContact O-N 2.98Å; P258-H260 VanDerWaalsContact O-N 3.15Å; P258-H260 PolarHBondContact O-ND1 3.41Å; H260-E262 PolarHBondContact O-N 3.02Å; H260-E262 VanDerWaalsContact O-N 3.14Å
261	Q	60.2	Low	73.9	Confident	197 Å²	197	73.1 Å²	73.1	92%	0.921	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-61.6	117.8	166.4	-71.1	-177.1	-6.5	0	0	108.4	I263	Q261-I263 PolarHBondContact O-N 3.17Å
262	E	59.3	Low	73.9	Confident	107 Å²	107	73 Å²	73	50%	0.5	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-69.1	128	170.5	-62.3	-160.9	149.5	0	0	108.3	K229 H260 G264	K229-E262 WeakPolarHBondContact CE-OE1 3.33Å; K229-E262 IonicContact NZ-OE1 2.79Å; K229-E262 PolarHBondContact NZ-OE1 3.32Å; H260-E262 PolarHBondContact O-N 3.02Å; H260-E262 VanDerWaalsContact O-N 3.14Å; E262-G264 VanDerWaalsContact C-N 3.34Å; E262-G264 PolarHBondContact O-N 3.3Å
263	I	52.8	Low	74.1	Confident	159 Å²	159	70 Å²	70	82%	0.815	43%	0.433	S	S	*	.			trans	-60.5	108.3	157.1	-58.8	170	0	0	0	104.2	Q261 S265	Q261-I263 PolarHBondContact O-N 3.17Å; I263-S265 PolarHBondContact O-N 3.07Å; I263-S265 VanDerWaalsContact O-N 3.08Å
264	G	49.1	Very low	74.4	Confident	60 Å²	60	73.3 Å²	73.3	62%	0.619	45%	0.448	S	S	*	.			trans	-52.4	121.2	-175.6	0	0	0	0	0	109.3	E262 G266	E262-G264 VanDerWaalsContact C-N 3.34Å; E262-G264 PolarHBondContact O-N 3.3Å; G264-G266 PolarHBondContact O-N 2.76Å
265	S	51.9	Low	74.7	Confident	69 Å²	69	75 Å²	75	48%	0.483	46%	0.457	S	S	.	.			trans	-49.6	110.5	175.2	177.9	0	0	0	0	107.6	I263 G267	I263-S265 PolarHBondContact O-N 3.07Å; I263-S265 VanDerWaalsContact O-N 3.08Å; S265-G267 PolarHBondContact O-N 2.59Å
266	G	49.1	Very low	75	Confident	27 Å²	27	74.2 Å²	74.2	28%	0.278	45%	0.45	S	S	.	.			trans	-56.6	143.4	-174.7	0	0	0	0	0	109.9	S194 G264 H268	S194-G266 CarbonylContact O-C 3.25Å; S194-G266 VanDerWaalsContact O-CA 3.27Å; S194-G266 WeakPolarHBondContact O-CA 3.33Å; G264-G266 PolarHBondContact O-N 2.76Å; G266-H268 PolarHBondContact O-N 3.48Å
267	G	57.5	Low	75.2	Confident	87 Å²	87	77.9 Å²	77.9	90%	0.897	46%	0.46	S	S	*	.	S	Bend	trans	-65.2	13.8	-175.4	0	0	0	0	0	115.6	S265 G269	S265-G267 PolarHBondContact O-N 2.59Å; G267-G269 VanDerWaalsContact C-N 3.3Å; G267-G269 PolarHBondContact O-N 2.82Å
268	H	59.6	Low	75.4	Confident	111 Å²	111	79 Å²	79	51%	0.514	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-70	88.4	167.8	-67.5	-82.5	0	0	0	109.2	S194 C196 G266	S194-H268 PolarHBondContact O-CD2 3.24Å; S194-H268 VanDerWaalsContact O-CD2 3.26Å; S194-H268 PolarHBondContact OG-CD2 3.27Å; C196-H268 PolarHBondContact N-O 2.85Å; C196-H268 VanDerWaalsContact N-O 3.14Å; G266-H268 PolarHBondContact O-N 3.48Å
269	G	80.1	Confident	75.8	Confident	16 Å²	16	76.2 Å²	76.2	17%	0.165	45%	0.446	C	S	.	.			trans	-76.5	-122.8	176.1	0	0	0	0	0	112.7	G267 V271 H348	G267-G269 VanDerWaalsContact C-N 3.3Å; G267-G269 PolarHBondContact O-N 2.82Å; G269-V271 PolarHBondContact O-N 3.02Å; G269-H348 WeakPolarHBondContact CA-NE2 3.4Å
270	F	89.4	Confident	76.3	Confident	27 Å²	27	78.5 Å²	78.5	12%	0.118	45%	0.446	C	S	.	.			trans	-71.3	124.3	176.7	-171.1	-90.9	0	0	0	111.3	A188 F189 G272 P292 L350 Q451 A453	A188-F270 HydrophobicContact CB-CD2 4.05Å; A188-F270 HydrophobicContact CB-CE2 3.61Å; A188-F270 HydrophobicContact CB-CZ 4.44Å; A188-F270 WeakPolarHBondContact O-CD2 3.24Å; F189-F270 HydrophobicContact CE1-CD2 4.32Å; F270-G272 VanDerWaalsContact CE1-CA 3.46Å; F270-P292 HydrophobicContact CB-CB 3.84Å; F270-P292 HydrophobicContact CB-CG 4.16Å; F270-P292 HydrophobicContact CD1-CB 4.16Å; F270-P292 HydrophobicContact CD1-CG 3.67Å; F270-P292 HydrophobicContact CD2-CB 3.75Å; F270-P292 HydrophobicContact CD2-CG 4.1Å; F270-P292 HydrophobicContact CE1-CG 3.99Å; F270-P292 HydrophobicContact CE2-CB 4.29Å; F270-P292 HydrophobicContact CE2-CG 4.38Å; F270-P292 HydrophobicContact CG-CB 3.65Å; F270-P292 HydrophobicContact CG-CG 3.71Å; F270-P292 HydrophobicContact CZ-CG 4.32Å; F270-L350 HydrophobicContact CD2-CD2 3.79Å; F270-L350 HydrophobicContact CE2-CD2 3.59Å; F270-Q451 HydrophobicContact CD1-CB 4.16Å; F270-Q451 HydrophobicContact CE1-CB 3.98Å; F270-A453 HydrophobicContact CE2-CB 4.06Å; F270-A453 HydrophobicContact CZ-CB 3.77Å
271	V	90.3	Very high	77.1	Confident	79 Å²	79	79.3 Å²	79.3	48%	0.479	47%	0.468	S	S	.	.			trans	-93.4	-49.4	176.6	-176.3	0	0	0	0	110	A188 G269	A188-V271 PolarHBondContact O-N 3.03Å; G269-V271 PolarHBondContact O-N 3.02Å
272	G	91.4	Very high	78.4	Confident	18 Å²	18	70.5 Å²	70.5	19%	0.186	43%	0.429	C	S	.	.			trans	74.2	164.6	-170.4	0	0	0	0	0	113.5	A187 A188 F270 A452	A187-G272 CarbonylContact O-C 3.57Å; A187-G272 WeakPolarHBondContact O-CA 3.16Å; A188-G272 PolarHBondContact O-N 3Å; A188-G272 VanDerWaalsContact O-N 3.16Å; F270-G272 VanDerWaalsContact CE1-CA 3.46Å; G272-A452 VanDerWaalsContact CA-O 3.26Å; G272-A452 WeakPolarHBondContact CA-O 3.5Å
273	G	93	Very high	79.8	Confident	30 Å²	30	70.5 Å²	70.5	31%	0.309	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	151.1	-178.7	-174.4	0	0	0	0	0	112.7	A187 A452 A453 F454	A187-G273 PolarHBondContact O-N 3.03Å; G273-A452 PolarHBondContact N-O 3.39Å; G273-A453 CarbonylContact O-C 3.53Å; G273-A453 WeakPolarHBondContact O-CA 3.35Å; G273-F454 PolarHBondContact O-N 3.18Å
274	E	94.8	Very high	81.7	Confident	72 Å²	72	64.6 Å²	64.6	34%	0.336	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.6	170.6	66.1	166.6	-118.1	0	0	112.7	R276 F454 P466 L467	E274-R276 IonicContact OE1-CZ 2.72Å; E274-R276 VanDerWaalsContact OE1-CZ 3.24Å; E274-R276 IonicContact OE1-NE 3.74Å; E274-R276 PolarHBondContact OE1-NE 3.42Å; E274-R276 IonicContact OE1-NH2 2.65Å; E274-R276 PolarHBondContact OE1-NH2 2.69Å; E274-R276 IonicContact OE2-NH2 3.77Å; E274-R276 PolarHBondContact OE2-NH2 3.44Å; E274-F454 CarbonylContact C-O 3.22Å; E274-F454 VanDerWaalsContact CA-O 3.23Å; E274-F454 WeakPolarHBondContact CA-O 3.18Å; E274-F454 HydrophobicContact CB-CB 3.98Å; E274-F454 HydrophobicContact CB-CD1 4.26Å; E274-P466 WeakPolarHBondContact OE2-CA 3.27Å; E274-L467 HydrophobicContact CB-CB 4.4Å; E274-L467 PolarHBondContact OE2-N 3.16Å
275	I	96	Very high	83.8	Confident	45 Å²	45	61.7 Å²	61.7	23%	0.231	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	124.6	174.1	-62.6	177.2	0	0	0	109.3	L183 E186 A187 F454 S455 L456	L183-I275 HydrophobicContact CB-CG2 4.3Å; L183-I275 HydrophobicContact CD1-CG2 4.43Å; L183-I275 HydrophobicContact CD2-CG2 4.06Å; L183-I275 HydrophobicContact CG-CG2 4.5Å; E186-I275 HydrophobicContact CB-CD1 3.79Å; E186-I275 HydrophobicContact CG-CD1 3.67Å; A187-I275 HydrophobicContact CB-CB 4.44Å; A187-I275 HydrophobicContact CB-CD1 3.9Å; A187-I275 HydrophobicContact CB-CG1 3.91Å; I275-F454 PolarHBondContact N-O 2.92Å; I275-S455 WeakPolarHBondContact O-CA 3.25Å; I275-L456 PolarHBondContact O-N 3.27Å
276	R	95.3	Very high	85.9	Confident	79 Å²	79	61 Å²	61	30%	0.298	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.1	180	-54.3	-171.8	-175.8	-126.5	-11.2	110.4	E274 L456 L461 I464 E465 P466	E274-R276 IonicContact OE1-CZ 2.72Å; E274-R276 VanDerWaalsContact OE1-CZ 3.24Å; E274-R276 IonicContact OE1-NE 3.74Å; E274-R276 PolarHBondContact OE1-NE 3.42Å; E274-R276 IonicContact OE1-NH2 2.65Å; E274-R276 PolarHBondContact OE1-NH2 2.69Å; E274-R276 IonicContact OE2-NH2 3.77Å; E274-R276 PolarHBondContact OE2-NH2 3.44Å; R276-L456 HydrophobicContact CG-CB 4.32Å; R276-L456 HydrophobicContact CG-CD1 4.15Å; R276-L461 HydrophobicContact CB-CD1 4.11Å; R276-L461 PolarHBondContact NH1-O 2.95Å; R276-I464 PolarHBondContact NH1-O 2.94Å; R276-E465 PolarHBondContact NH2-O 2.77Å; R276-E465 VanDerWaalsContact NH2-O 3.14Å; R276-P466 VanDerWaalsContact NH2-CA 3.31Å
277	R	94.2	Very high	88.1	Confident	125 Å²	125	59.8 Å²	59.8	47%	0.472	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	87.1	178.1	-171.9	63.4	170.5	161.8	-0.5	109.3	L179 L183 L279 L456 V457 G458	L179-R277 HydrophobicContact CD2-CG 4.31Å; L183-R277 HydrophobicContact CD1-CB 3.65Å; L183-R277 HydrophobicContact CD1-CG 4.21Å; R277-L279 HydrophobicContact CG-CG 4.39Å; R277-L279 PolarHBondContact O-N 2.92Å; R277-L456 PolarHBondContact N-O 2.89Å; R277-V457 HydrophobicContact CB-CG2 4.21Å; R277-G458 PolarHBondContact O-N 2.87Å
278	D	91.8	Very high	90	Very high	78 Å²	78	55.9 Å²	55.9	42%	0.417	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	132.1	178.8	-153.4	-17.1	0	0	0	110.5	G458 D460 L461	D278-G458 WeakPolarHBondContact CA-O 3.2Å; D278-G458 VanDerWaalsContact OD1-O 3.12Å; D278-D460 PolarHBondContact OD1-N 3.17Å; D278-L461 HydrophobicContact CB-CD1 4.41Å
279	L	90.9	Very high	91.7	Very high	44 Å²	44	50.9 Å²	50.9	23%	0.23	29%	0.29	C	S	.	.			trans	-144.9	82.3	-176.4	-69.4	178	0	0	0	108.4	L176 L179 R277 A281 A282 V457 G458	L176-L279 HydrophobicContact CD1-CD1 4.35Å; L176-L279 HydrophobicContact CD2-CD1 3.62Å; L179-L279 HydrophobicContact CD2-CD1 4.47Å; R277-L279 HydrophobicContact CG-CG 4.39Å; R277-L279 PolarHBondContact O-N 2.92Å; L279-A281 PolarHBondContact O-N 3.38Å; L279-A282 HydrophobicContact CB-CB 3.93Å; L279-A282 VanDerWaalsContact O-CB 3.27Å; L279-A282 WeakPolarHBondContact O-CB 3.38Å; L279-A282 PolarHBondContact O-N 3.04Å; L279-V457 HydrophobicContact CD1-CG1 3.76Å; L279-G458 PolarHBondContact N-O 3.06Å
280	N	86.4	Confident	92.5	Very high	131 Å²	131	50.1 Å²	50.1	70%	0.701	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-25.3	-176.8	-52.7	38.5	0	0	0	114.1
281	A	86.4	Confident	92.7	Very high	104 Å²	104	48.8 Å²	48.8	86%	0.86	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-2	178.4	0	0	0	0	0	114.3	L279	L279-A281 PolarHBondContact O-N 3.38Å
282	A	88.2	Confident	92.9	Very high	12 Å²	12	46.3 Å²	46.3	10%	0.099	26%	0.262	C	S	.	.			trans	-80.9	132	178.9	0	0	0	0	0	110.8	L176 L279 T284 P459	L176-A282 HydrophobicContact CD1-CB 3.47Å; L176-A282 VanDerWaalsContact CD1-CB 3.47Å; L279-A282 HydrophobicContact CB-CB 3.93Å; L279-A282 VanDerWaalsContact O-CB 3.27Å; L279-A282 WeakPolarHBondContact O-CB 3.38Å; L279-A282 PolarHBondContact O-N 3.04Å; A282-T284 PolarHBondContact O-N 2.97Å; A282-P459 WeakPolarHBondContact O-CD 3.42Å; A282-P459 WeakPolarHBondContact O-CG 3.07Å
283	P	88.6	Confident	92.8	Very high	107 Å²	107	45.7 Å²	45.7	70%	0.695	25%	0.254	S	S	*	.	S	Bend	trans	-80.5	-0.5	-178.1	34.3	-38.1	0	0	0	113.7
284	T	91.8	Very high	92.1	Very high	35 Å²	35	55.9 Å²	55.9	22%	0.215	28%	0.283	C	S	.	.	S	Bend	trans	-153.8	134	-170.1	-54.6	0	0	0	0	109.4	A282 Y286 A356	A282-T284 PolarHBondContact O-N 2.97Å; T284-Y286 HydrophobicContact CG2-CD2 4.48Å; T284-Y286 HydrophobicContact CG2-CE1 4.39Å; T284-Y286 HydrophobicContact CG2-CE2 3.97Å; T284-A356 HydrophobicContact CG2-CB 4.27Å
285	V	93.6	Very high	90.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	132.5	168	-179.1	0	0	0	0	108.9	A356 G357 P360 V363 V457 P459 L461 I464	V285-A356 CarbonylContact O-C 3.5Å; V285-A356 WeakPolarHBondContact O-CA 3.5Å; V285-G357 PolarHBondContact N-O 2.86Å; V285-G357 PolarHBondContact O-N 3.36Å; V285-P360 HydrophobicContact CG2-CB 4.04Å; V285-P360 HydrophobicContact CG2-CG 3.74Å; V285-V363 HydrophobicContact CG1-CG1 4.39Å; V285-V457 CarbonylContact C-O 3.32Å; V285-V457 WeakPolarHBondContact CA-O 3.33Å; V285-P459 HydrophobicContact CG2-CG 4.33Å; V285-L461 HydrophobicContact CG1-CD2 3.82Å; V285-L461 HydrophobicContact CG2-CD2 4.31Å; V285-I464 HydrophobicContact CG1-CD1 3.93Å
286	Y	95.3	Very high	89.9	Confident	55 Å²	55	55.9 Å²	55.9	22%	0.216	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.2	168.1	-61.7	-89.9	0	0	0	108.9	L176 N177 T284 A356 L456 V457	L176-Y286 HydrophobicContact CB-CD2 3.76Å; L176-Y286 HydrophobicContact CB-CE2 3.71Å; N177-Y286 HydrophobicContact CB-CD1 3.98Å; N177-Y286 HydrophobicContact CB-CE1 3.88Å; T284-Y286 HydrophobicContact CG2-CD2 4.48Å; T284-Y286 HydrophobicContact CG2-CE1 4.39Å; T284-Y286 HydrophobicContact CG2-CE2 3.97Å; Y286-A356 HydrophobicContact CD1-CB 3.55Å; Y286-A356 HydrophobicContact CE1-CB 3.72Å; Y286-A356 HydrophobicContact CG-CB 4.36Å; Y286-L456 WeakPolarHBondContact O-CA 3.4Å; Y286-V457 PolarHBondContact N-O 2.8Å; Y286-V457 PolarHBondContact O-N 2.72Å
287	A	95.8	Very high	89.3	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.8	-179.9	0	0	0	0	0	110	A354 V355 V363 I367 F454 S455 L456	A287-A354 CarbonylContact O-C 3.55Å; A287-A354 WeakPolarHBondContact O-CA 3.27Å; A287-V355 HydrophobicContact CB-CB 4.49Å; A287-V355 PolarHBondContact N-O 3.19Å; A287-V355 PolarHBondContact O-N 3.4Å; A287-V363 HydrophobicContact CB-CG1 3.85Å; A287-I367 HydrophobicContact CB-CD1 3.68Å; A287-F454 HydrophobicContact CB-CE2 4.43Å; A287-S455 CarbonylContact C-O 3.57Å; A287-S455 WeakPolarHBondContact CA-O 3.19Å; A287-L456 HydrophobicContact CB-CD2 3.39Å
288	Y	97.1	Very high	88.9	Confident	4 Å²	4	51 Å²	51	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.3	176.5	-56.4	-100.3	0	0	0	109.3	N177 M181 F341 I353 A354 F454 S455	N177-Y288 WeakPolarHBondContact CA-OH 3.29Å; N177-Y288 PolarHBondContact O-OH 2.65Å; N177-Y288 PolarHBondContact OD1-OH 2.95Å; M181-Y288 HydrophobicContact CE-CD1 3.63Å; M181-Y288 HydrophobicContact CE-CE1 3.6Å; Y288-F341 AromaticContact CD1-CE1 3.83Å; Y288-F341 HydrophobicContact CD1-CE1 3.83Å; Y288-F341 HydrophobicContact CD1-CZ 4.23Å; Y288-I353 WeakPolarHBondContact CA-O 3.37Å; Y288-A354 HydrophobicContact CD1-CB 3.59Å; Y288-A354 HydrophobicContact CE1-CB 3.44Å; Y288-A354 VanDerWaalsContact CE1-CB 3.44Å; Y288-F454 CarbonylContact O-C 3.56Å; Y288-F454 VanDerWaalsContact O-CA 3.29Å; Y288-F454 WeakPolarHBondContact O-CA 3.24Å; Y288-F454 VanDerWaalsContact O-CD2 3.25Å; Y288-F454 WeakPolarHBondContact O-CD2 3.22Å; Y288-S455 WeakPolarHBondContact CD2-OG 3.37Å; Y288-S455 PolarHBondContact N-O 3.46Å; Y288-S455 PolarHBondContact O-N 2.75Å
289	L	96	Very high	88.7	Confident	6 Å²	6	48.9 Å²	48.9	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.8	172	177.4	61.4	0	0	0	108.2	W291 G352 I353 I367 I371 A452 A453 F454 L467	L289-W291 HydrophobicContact CD1-CZ2 4.43Å; L289-W291 HydrophobicContact CD2-CH2 3.4Å; L289-W291 VanDerWaalsContact CD2-CH2 3.4Å; L289-W291 HydrophobicContact CD2-CZ2 3.66Å; L289-W291 HydrophobicContact CD2-CZ3 4.21Å; L289-W291 HydrophobicContact CG-CH2 3.66Å; L289-W291 HydrophobicContact CG-CZ2 3.92Å; L289-W291 HydrophobicContact CG-CZ3 4.01Å; L289-G352 CarbonylContact O-C 3.51Å; L289-G352 WeakPolarHBondContact O-CA 3.46Å; L289-I353 PolarHBondContact N-O 3.14Å; L289-I353 PolarHBondContact O-N 2.7Å; L289-I367 HydrophobicContact CD2-CG2 4.12Å; L289-I371 HydrophobicContact CD2-CD1 3.63Å; L289-I371 HydrophobicContact CD2-CG1 3.76Å; L289-A452 HydrophobicContact CD1-CB 4.02Å; L289-A453 WeakPolarHBondContact CA-O 3.1Å; L289-F454 HydrophobicContact CB-CD2 4Å; L289-F454 HydrophobicContact CB-CE2 4.33Å; L289-F454 HydrophobicContact CD1-CB 4.49Å; L289-F454 HydrophobicContact CD1-CD2 4.12Å; L289-L467 HydrophobicContact CD1-CD1 3.59Å
290	A	95.9	Very high	88.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	151.2	177.7	0	0	0	0	0	113.1	L184 F341 L350 F351 A452 A453	L184-A290 HydrophobicContact CD1-CB 4.03Å; L184-A290 HydrophobicContact CD2-CB 3.95Å; L184-A290 HydrophobicContact CG-CB 4.37Å; A290-F341 HydrophobicContact CB-CE2 4.44Å; A290-F341 HydrophobicContact CB-CZ 4.24Å; A290-L350 HydrophobicContact CB-CB 4.47Å; A290-F351 CarbonylContact C-O 3.57Å; A290-F351 VanDerWaalsContact CA-O 3.26Å; A290-F351 WeakPolarHBondContact CA-O 3.42Å; A290-A452 CarbonylContact O-C 3.11Å; A290-A452 WeakPolarHBondContact O-CA 3.46Å; A290-A452 WeakPolarHBondContact O-CB 3.33Å; A290-A453 PolarHBondContact N-O 3.31Å; A290-A453 PolarHBondContact O-N 3.06Å
291	W	94.8	Very high	88.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	152.4	177.3	-63.6	-93.2	0	0	0	109.9	L289 M293 L350 F351 I353 I371 L374 T446 V447 A452 L471	L289-W291 HydrophobicContact CD1-CZ2 4.43Å; L289-W291 HydrophobicContact CD2-CH2 3.4Å; L289-W291 VanDerWaalsContact CD2-CH2 3.4Å; L289-W291 HydrophobicContact CD2-CZ2 3.66Å; L289-W291 HydrophobicContact CD2-CZ3 4.21Å; L289-W291 HydrophobicContact CG-CH2 3.66Å; L289-W291 HydrophobicContact CG-CZ2 3.92Å; L289-W291 HydrophobicContact CG-CZ3 4.01Å; W291-M293 PolarHBondContact O-N 2.76Å; W291-L350 WeakPolarHBondContact O-CA 3.41Å; W291-F351 HydrophobicContact CE3-CD1 4.23Å; W291-F351 HydrophobicContact CE3-CE1 4.31Å; W291-F351 HydrophobicContact CZ3-CE1 4.4Å; W291-F351 PolarHBondContact N-O 3.38Å; W291-F351 PolarHBondContact O-N 3.44Å; W291-I353 HydrophobicContact CZ3-CD1 4.27Å; W291-I371 HydrophobicContact CH2-CG1 4.49Å; W291-L374 HydrophobicContact CH2-CD1 4.39Å; W291-L374 HydrophobicContact CZ3-CD1 4.43Å; W291-T446 HydrophobicContact CB-CG2 3.58Å; W291-T446 HydrophobicContact CG-CG2 4.38Å; W291-V447 HydrophobicContact CZ2-CG1 4.35Å; W291-A452 HydrophobicContact CG-CB 4.26Å; W291-L471 HydrophobicContact CZ2-CD2 4.27Å
292	P	93.3	Very high	89.1	Confident	27 Å²	27	35.8 Å²	35.8	18%	0.175	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	118.2	170.4	30.1	-30.8	0	0	0	108.9	F270 S349 N449 Q451	F270-P292 HydrophobicContact CB-CB 3.84Å; F270-P292 HydrophobicContact CB-CG 4.16Å; F270-P292 HydrophobicContact CD1-CB 4.16Å; F270-P292 HydrophobicContact CD1-CG 3.67Å; F270-P292 HydrophobicContact CD2-CB 3.75Å; F270-P292 HydrophobicContact CD2-CG 4.1Å; F270-P292 HydrophobicContact CE1-CG 3.99Å; F270-P292 HydrophobicContact CE2-CB 4.29Å; F270-P292 HydrophobicContact CE2-CG 4.38Å; F270-P292 HydrophobicContact CG-CB 3.65Å; F270-P292 HydrophobicContact CG-CG 3.71Å; F270-P292 HydrophobicContact CZ-CG 4.32Å; P292-S349 WeakPolarHBondContact CA-O 3.35Å; P292-N449 WeakPolarHBondContact CG-ND2 3.32Å; P292-Q451 VanDerWaalsContact CD-O 3.31Å; P292-Q451 WeakPolarHBondContact CD-O 3.43Å
293	M	89.8	Confident	89.3	Confident	5 Å²	5	35.3 Å²	35.3	3%	0.025	20%	0.199	C	C	.	.			trans	-99.5	136.1	174.5	-173.5	177.4	-174.4	0	0	109.5	W291 I299 S300 I303 S349 F351 A442 T446	W291-M293 PolarHBondContact O-N 2.76Å; M293-I299 HydrophobicContact CE-CG2 4.03Å; M293-S300 VanDerWaalsContact SD-CB 3.51Å; M293-I303 HydrophobicContact CE-CD1 3.58Å; M293-I303 HydrophobicContact SD-CD1 4.47Å; M293-S349 WeakPolarHBondContact CB-OG 3.19Å; M293-S349 PolarHBondContact N-O 3.02Å; M293-S349 PolarHBondContact O-OG 3.03Å; M293-F351 HydrophobicContact CB-CB 3.95Å; M293-F351 HydrophobicContact SD-CB 3.98Å; M293-A442 HydrophobicContact CE-CB 3.86Å; M293-T446 HydrophobicContact CB-CG2 4.1Å; M293-T446 HydrophobicContact CG-CG2 4.45Å
294	R	79.1	Confident	89.4	Confident	244 Å²	244	30.9 Å²	30.9	92%	0.921	17%	0.17	S	C	*	.			trans	-111	113.8	169.3	-66.5	-174.5	-179.8	-173.8	0.6	108.3
295	G	69.5	Low	89.3	Confident	51 Å²	51	29.8 Å²	29.8	53%	0.526	16%	0.163	S	C	.	.	S	Bend	trans	169.3	175.2	-179.7	0	0	0	0	0	113.5
296	S	74.6	Confident	89.1	Confident	66 Å²	66	30.2 Å²	30.2	46%	0.462	17%	0.167	S	C	.	.			trans	-67.7	144.2	175.6	175	0	0	0	0	111.7	T298 I299 S300	S296-T298 PolarHBondContact O-N 3.23Å; S296-T298 VanDerWaalsContact O-N 3.12Å; S296-T298 PolarHBondContact OG-N 2.95Å; S296-I299 PolarHBondContact O-N 3.21Å; S296-S300 PolarHBondContact O-N 3Å
297	C	81.5	Confident	88.8	Confident	75 Å²	75	27.6 Å²	27.6	51%	0.507	16%	0.156	S	C	.	.	H	α-helix	trans	-39.6	-48.4	168.6	169.8	0	0	0	0	111.8	I299 S300 G301 L344	C297-I299 PolarHBondContact O-N 3.21Å; C297-S300 PolarHBondContact O-N 2.68Å; C297-S300 PolarHBondContact O-OG 3.24Å; C297-G301 PolarHBondContact O-N 3.31Å; C297-L344 HydrophobicContact CB-CD1 3.71Å; C297-L344 HydrophobicContact CB-CD2 4.35Å; C297-L344 WeakPolarHBondContact SG-CD1 3.36Å
298	T	86	Confident	88.3	Confident	26 Å²	26	28.3 Å²	28.3	16%	0.16	16%	0.16	C	C	.	.	H	α-helix	trans	-51.7	-48.8	177.1	-70.8	0	0	0	0	114	S296 G301 L302 L431 V434	S296-T298 PolarHBondContact O-N 3.23Å; S296-T298 VanDerWaalsContact O-N 3.12Å; S296-T298 PolarHBondContact OG-N 2.95Å; T298-G301 PolarHBondContact O-N 3.05Å; T298-L302 HydrophobicContact CG2-CD1 4.14Å; T298-L302 WeakPolarHBondContact O-CG 3.4Å; T298-L302 PolarHBondContact O-N 2.96Å; T298-L431 HydrophobicContact CG2-CD2 3.48Å; T298-L431 VanDerWaalsContact CG2-CD2 3.48Å; T298-V434 HydrophobicContact CG2-CG2 3.38Å
299	I	89.2	Confident	87.5	Confident	33 Å²	33	28.5 Å²	28.5	17%	0.169	16%	0.163	C	C	.	.	H	α-helix	trans	-69.6	-45.4	-175.5	-59.3	176.6	0	0	0	109.7	M293 S296 C297 G301 L302 I303 V434 V439 A442	M293-I299 HydrophobicContact CE-CG2 4.03Å; S296-I299 PolarHBondContact O-N 3.21Å; C297-I299 PolarHBondContact O-N 3.21Å; I299-G301 VanDerWaalsContact C-N 3.32Å; I299-G301 PolarHBondContact O-N 3.49Å; I299-L302 PolarHBondContact O-N 3.01Å; I299-I303 HydrophobicContact CG2-CD1 4.29Å; I299-I303 WeakPolarHBondContact O-CG1 3.26Å; I299-I303 PolarHBondContact O-N 2.88Å; I299-V434 HydrophobicContact CG1-CG1 4.43Å; I299-V439 HydrophobicContact CG2-CG2 4.45Å; I299-A442 HydrophobicContact CG2-CB 3.77Å
300	S	89.9	Confident	86.3	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.014	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-40.6	177.8	68.4	0	0	0	0	112.5	M293 S296 C297 I303 V304 H342	M293-S300 VanDerWaalsContact SD-CB 3.51Å; S296-S300 PolarHBondContact O-N 3Å; C297-S300 PolarHBondContact O-N 2.68Å; C297-S300 PolarHBondContact O-OG 3.24Å; S300-I303 PolarHBondContact O-N 3.19Å; S300-V304 WeakPolarHBondContact O-CG2 3.04Å; S300-V304 PolarHBondContact O-N 2.88Å; S300-V304 VanDerWaalsContact O-N 3.12Å; S300-H342 PolarHBondContact OG-ND1 3.42Å
301	G	90	Very high	84.8	Confident	2 Å²	2	31 Å²	31	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-64.8	-40.8	175.3	0	0	0	0	0	112.8	C297 T298 I299 V304 C305	C297-G301 PolarHBondContact O-N 3.31Å; T298-G301 PolarHBondContact O-N 3.05Å; I299-G301 VanDerWaalsContact C-N 3.32Å; I299-G301 PolarHBondContact O-N 3.49Å; G301-V304 PolarHBondContact O-N 2.83Å; G301-C305 WeakPolarHBondContact O-CB 3.37Å; G301-C305 PolarHBondContact O-N 2.95Å; G301-C305 PolarHBondContact O-SG 3.06Å
302	L	91.4	Very high	83.4	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-65.2	-40.7	176.9	-73.5	170.1	0	0	0	112.4	T298 I299 C305 A306 L384 A387 K388 L391 V434	T298-L302 HydrophobicContact CG2-CD1 4.14Å; T298-L302 WeakPolarHBondContact O-CG 3.4Å; T298-L302 PolarHBondContact O-N 2.96Å; I299-L302 PolarHBondContact O-N 3.01Å; L302-C305 PolarHBondContact O-N 3.38Å; L302-A306 WeakPolarHBondContact O-CB 3.13Å; L302-A306 PolarHBondContact O-N 3.38Å; L302-L384 HydrophobicContact CD1-CD1 4.5Å; L302-A387 HydrophobicContact CD2-CB 4.39Å; L302-K388 HydrophobicContact CD2-CB 4.33Å; L302-K388 HydrophobicContact CD2-CG 3.74Å; L302-L391 HydrophobicContact CD2-CB 4.26Å; L302-L391 HydrophobicContact CD2-CD2 3.77Å; L302-L391 HydrophobicContact CG-CD2 3.78Å; L302-V434 HydrophobicContact CD1-CB 3.81Å; L302-V434 HydrophobicContact CD1-CG1 3.7Å; L302-V434 HydrophobicContact CD1-CG2 3.87Å
303	I	91.3	Very high	82.2	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-49.8	173.9	-67.5	175	0	0	0	110.3	M293 I299 S300 C305 A306 L307 F351 F379 V439 A442 L443	M293-I303 HydrophobicContact CE-CD1 3.58Å; M293-I303 HydrophobicContact SD-CD1 4.47Å; I299-I303 HydrophobicContact CG2-CD1 4.29Å; I299-I303 WeakPolarHBondContact O-CG1 3.26Å; I299-I303 PolarHBondContact O-N 2.88Å; S300-I303 PolarHBondContact O-N 3.19Å; I303-C305 VanDerWaalsContact C-N 3.32Å; I303-C305 PolarHBondContact O-N 3.2Å; I303-A306 PolarHBondContact O-N 3.48Å; I303-L307 HydrophobicContact CG2-CD1 3.76Å; I303-L307 HydrophobicContact CG2-CG 4.32Å; I303-L307 WeakPolarHBondContact O-CB 3.23Å; I303-L307 VanDerWaalsContact O-CG 3.3Å; I303-L307 WeakPolarHBondContact O-CG 3.24Å; I303-L307 PolarHBondContact O-N 2.98Å; I303-F351 HydrophobicContact CG2-CD2 4.23Å; I303-F351 HydrophobicContact CG2-CE2 3.65Å; I303-F351 HydrophobicContact CG2-CZ 3.93Å; I303-F379 HydrophobicContact CG1-CE2 4.33Å; I303-F379 HydrophobicContact CG2-CE2 4.32Å; I303-F379 HydrophobicContact CG2-CZ 4.31Å; I303-V439 HydrophobicContact CD1-CG1 4.49Å; I303-V439 HydrophobicContact CG1-CG1 3.65Å; I303-A442 HydrophobicContact CD1-CB 4.36Å; I303-L443 HydrophobicContact CD1-CB 4.09Å; I303-L443 HydrophobicContact CG2-CD1 3.88Å
304	V	91.2	Very high	81.2	Confident	15 Å²	15	43.6 Å²	43.6	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-42.6	178.9	168.9	0	0	0	0	111.7	S300 G301 L307 N308 A340 H342 F351	S300-V304 WeakPolarHBondContact O-CG2 3.04Å; S300-V304 PolarHBondContact O-N 2.88Å; S300-V304 VanDerWaalsContact O-N 3.12Å; G301-V304 PolarHBondContact O-N 2.83Å; V304-L307 PolarHBondContact O-N 3.36Å; V304-N308 WeakPolarHBondContact O-CB 3.22Å; V304-N308 PolarHBondContact O-N 3.4Å; V304-N308 PolarHBondContact O-ND2 2.95Å; V304-A340 HydrophobicContact CG1-CB 4.35Å; V304-A340 WeakPolarHBondContact CG1-O 3.32Å; V304-A340 HydrophobicContact CG2-CB 4.4Å; V304-H342 HydrophobicContact CG2-CB 3.93Å; V304-F351 HydrophobicContact CG2-CD2 4.05Å; V304-F351 HydrophobicContact CG2-CE2 4.07Å
305	C	90.3	Very high	80.5	Confident	11 Å²	11	40.6 Å²	40.6	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-66.6	-38.6	176	-71.3	0	0	0	0	113	G301 L302 I303 G309 A387 T390	G301-C305 WeakPolarHBondContact O-CB 3.37Å; G301-C305 PolarHBondContact O-N 2.95Å; G301-C305 PolarHBondContact O-SG 3.06Å; L302-C305 PolarHBondContact O-N 3.38Å; I303-C305 VanDerWaalsContact C-N 3.32Å; I303-C305 PolarHBondContact O-N 3.2Å; C305-G309 WeakPolarHBondContact O-CA 3.43Å; C305-G309 PolarHBondContact O-N 3.35Å; C305-A387 HydrophobicContact CB-CB 4Å; C305-T390 HydrophobicContact CB-CG2 3.74Å
306	A	89.2	Confident	80	Confident	9 Å²	9	45.3 Å²	45.3	7%	0.074	24%	0.24	C	C	.	.	H	α-helix	trans	-68.3	-35.2	177.1	0	0	0	0	0	112.6	L302 I303 F379 A387	L302-A306 WeakPolarHBondContact O-CB 3.13Å; L302-A306 PolarHBondContact O-N 3.38Å; I303-A306 PolarHBondContact O-N 3.48Å; A306-F379 HydrophobicContact CB-CD1 3.73Å; A306-F379 HydrophobicContact CB-CE1 3.55Å; A306-F379 HydrophobicContact CB-CE2 4.35Å; A306-F379 HydrophobicContact CB-CG 4.23Å; A306-F379 HydrophobicContact CB-CZ 3.9Å; A306-A387 HydrophobicContact CB-CB 3.81Å
307	L	88.8	Confident	79.2	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-75.1	-45.4	179.5	-72.8	176.1	0	0	0	113.3	I303 V304 S323 L324 L325 A340 F351 L374 F379	I303-L307 HydrophobicContact CG2-CD1 3.76Å; I303-L307 HydrophobicContact CG2-CG 4.32Å; I303-L307 WeakPolarHBondContact O-CB 3.23Å; I303-L307 VanDerWaalsContact O-CG 3.3Å; I303-L307 WeakPolarHBondContact O-CG 3.24Å; I303-L307 PolarHBondContact O-N 2.98Å; V304-L307 PolarHBondContact O-N 3.36Å; L307-S323 WeakPolarHBondContact O-CB 3.42Å; L307-S323 PolarHBondContact O-OG 3.12Å; L307-L324 HydrophobicContact CD2-CB 4.26Å; L307-L324 HydrophobicContact CD2-CD2 3.76Å; L307-L324 HydrophobicContact CD2-CG 4.48Å; L307-L325 HydrophobicContact CB-CD1 3.74Å; L307-L325 HydrophobicContact CB-CG 3.97Å; L307-L325 HydrophobicContact CD2-CD2 4.47Å; L307-L325 HydrophobicContact CD2-CG 4.31Å; L307-L325 WeakPolarHBondContact O-CG 3.36Å; L307-A340 HydrophobicContact CB-CB 3.82Å; L307-A340 HydrophobicContact CD1-CB 3.93Å; L307-F351 HydrophobicContact CD1-CE2 3.74Å; L307-F351 HydrophobicContact CD1-CZ 3.41Å; L307-F351 VanDerWaalsContact CD1-CZ 3.41Å; L307-L374 HydrophobicContact CD1-CD2 4.12Å; L307-L374 HydrophobicContact CD2-CD2 3.5Å; L307-L374 HydrophobicContact CG-CD2 4.49Å; L307-F379 HydrophobicContact CD2-CE1 3.76Å; L307-F379 HydrophobicContact CD2-CZ 3.69Å; L307-F379 HydrophobicContact CG-CE1 4.11Å; L307-F379 HydrophobicContact CG-CZ 3.77Å
308	N	86.4	Confident	78	Confident	17 Å²	17	43.2 Å²	43.2	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-73.3	-38.8	176.9	-70	-31.5	0	0	0	111.3	V304 S311 S323 A340	V304-N308 WeakPolarHBondContact O-CB 3.22Å; V304-N308 PolarHBondContact O-N 3.4Å; V304-N308 PolarHBondContact O-ND2 2.95Å; N308-S311 PolarHBondContact O-OG 3.4Å; N308-S323 VanDerWaalsContact O-CB 3.22Å; N308-S323 WeakPolarHBondContact O-CB 3.42Å; N308-S323 PolarHBondContact O-OG 3.37Å; N308-A340 PolarHBondContact ND2-O 2.95Å; N308-A340 PolarHBondContact OD1-N 3.43Å
309	G	79.3	Confident	76.5	Confident	7 Å²	7	45.8 Å²	45.8	7%	0.072	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	-138.1	-169.9	0	0	0	0	0	111.4	C305	C305-G309 WeakPolarHBondContact O-CA 3.43Å; C305-G309 PolarHBondContact O-N 3.35Å
310	S	70.6	Confident	74.9	Confident	50 Å²	50	48.5 Å²	48.5	35%	0.35	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-6.3	-178.3	53.7	0	0	0	0	115.3	N312 R313	S310-N312 VanDerWaalsContact C-N 3.29Å; S310-N312 PolarHBondContact O-N 3.12Å; S310-R313 PolarHBondContact O-N 2.89Å
311	S	65.2	Low	73.3	Confident	9 Å²	9	49 Å²	49	6%	0.063	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-54	-41.2	-170.4	56.4	0	0	0	0	114.1	N308 R313 R318	N308-S311 PolarHBondContact O-OG 3.4Å; S311-R313 VanDerWaalsContact C-N 3.33Å; S311-R313 PolarHBondContact O-N 3.26Å; S311-R318 VanDerWaalsContact CB-O 3.24Å; S311-R318 WeakPolarHBondContact CB-O 3.37Å
312	N	65.9	Low	72	Confident	80 Å²	80	58.4 Å²	58.4	43%	0.428	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-86.6	-1.3	-170.1	-61.3	-11	0	0	0	113.4	S310	S310-N312 VanDerWaalsContact C-N 3.29Å; S310-N312 PolarHBondContact O-N 3.12Å
313	R	67.7	Low	71	Confident	102 Å²	102	58.9 Å²	58.9	39%	0.385	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-85.6	-26.5	-178.2	-66.3	-176	174.2	-79	-7.2	113.8	S310 S311 T390 D394	S310-R313 PolarHBondContact O-N 2.89Å; S311-R313 VanDerWaalsContact C-N 3.33Å; S311-R313 PolarHBondContact O-N 3.26Å; R313-T390 VanDerWaalsContact NH2-C 3.33Å; R313-T390 PolarHBondContact NH2-O 3.41Å; R313-D394 IonicContact CZ-OD1 3.88Å; R313-D394 IonicContact CZ-OD2 3.41Å; R313-D394 IonicContact NH1-OD1 2.73Å; R313-D394 PolarHBondContact NH1-OD1 3.05Å; R313-D394 IonicContact NH1-OD2 2.6Å; R313-D394 IonicContact NH2-OD1 2.68Å; R313-D394 PolarHBondContact NH2-OD1 3.49Å; R313-D394 IonicContact NH2-OD2 3.7Å; R313-D394 PolarHBondContact NH2-OD2 2.91Å
314	I	68.3	Low	70.2	Confident	114 Å²	114	59.5 Å²	59.5	59%	0.585	31%	0.305	S	S	*	.	S	Bend	trans	-120.5	131	-179.2	47.7	161.7	0	0	0	109.9	H316 G317	I314-H316 PolarHBondContact O-N 3.31Å; I314-G317 PolarHBondContact O-N 2.82Å
315	K	63.6	Low	69.6	Low	181 Å²	181	59 Å²	59	79%	0.787	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	124.5	175.6	-163.2	-174.4	176	-176.5	0	108.5
316	H	60.7	Low	68.7	Low	150 Å²	150	59.2 Å²	59.2	69%	0.694	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	1.8	-175.6	-32.5	109.2	0	0	0	117.9	I314 R318	I314-H316 PolarHBondContact O-N 3.31Å; H316-R318 PolarHBondContact O-N 3.24Å
317	G	57.7	Low	67.9	Low	9 Å²	9	67.8 Å²	67.8	9%	0.093	33%	0.334	C	S	.	.			trans	-75.4	18	175.5	0	0	0	0	0	115.8	I314 N319 A320	I314-G317 PolarHBondContact O-N 2.82Å; G317-N319 PolarHBondContact O-N 3.18Å; G317-A320 PolarHBondContact O-N 3.28Å
318	R	56	Low	67.1	Low	88 Å²	88	68.1 Å²	68.1	33%	0.332	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-50.2	-158.4	-68.6	152.7	66.1	127.6	-13.2	113.5	S311 H316 E337	S311-R318 VanDerWaalsContact CB-O 3.24Å; S311-R318 WeakPolarHBondContact CB-O 3.37Å; H316-R318 PolarHBondContact O-N 3.24Å; R318-E337 IonicContact CZ-OE1 2.73Å; R318-E337 IonicContact CZ-OE2 3.61Å; R318-E337 IonicContact NH1-OE1 3.42Å; R318-E337 PolarHBondContact NH1-OE1 2.92Å; R318-E337 IonicContact NH1-OE2 3.88Å; R318-E337 PolarHBondContact NH1-OE2 3.29Å; R318-E337 IonicContact NH2-OE1 3.6Å; R318-E337 PolarHBondContact NH2-OE1 3.4Å
319	N	53.6	Low	66.3	Low	80 Å²	80	69 Å²	69	43%	0.428	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-2.7	-176	-61.1	-4.5	0	0	0	113	G317 S321	G317-N319 PolarHBondContact O-N 3.18Å; N319-S321 VanDerWaalsContact C-N 3.33Å
320	A	54.9	Low	66	Low	91 Å²	91	72.7 Å²	72.7	75%	0.752	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-17.3	-179.9	0	0	0	0	0	113.1	G317	G317-A320 PolarHBondContact O-N 3.28Å
321	S	57.6	Low	65.3	Low	11 Å²	11	79.7 Å²	79.7	8%	0.077	39%	0.394	C	S	.	.	S	Bend	trans	-77.3	139.8	175.7	83.8	0	0	0	0	111	N319 S323 A326	N319-S321 VanDerWaalsContact C-N 3.33Å; S321-S323 PolarHBondContact O-N 2.81Å; S321-S323 WeakPolarHBondContact OG-CB 3.46Å; S321-S323 PolarHBondContact OG-OG 2.75Å; S321-A326 VanDerWaalsContact O-CB 3.3Å; S321-A326 WeakPolarHBondContact O-CB 3.35Å
322	K	61.4	Low	65.1	Low	200 Å²	200	82.3 Å²	82.3	87%	0.87	42%	0.422	S	S	*	.			trans	-75.3	23.8	171.7	-61.7	-175.9	178.1	179.9	0	113
323	S	72	Confident	65.1	Low	11 Å²	11	79 Å²	79	8%	0.077	41%	0.405	C	S	.	.			trans	-66.7	154.2	-174.5	77.6	0	0	0	0	111.7	L307 N308 S321 L325 A326 R327	L307-S323 WeakPolarHBondContact O-CB 3.42Å; L307-S323 PolarHBondContact O-OG 3.12Å; N308-S323 VanDerWaalsContact O-CB 3.22Å; N308-S323 WeakPolarHBondContact O-CB 3.42Å; N308-S323 PolarHBondContact O-OG 3.37Å; S321-S323 PolarHBondContact O-N 2.81Å; S321-S323 WeakPolarHBondContact OG-CB 3.46Å; S321-S323 PolarHBondContact OG-OG 2.75Å; S323-L325 PolarHBondContact O-N 3.44Å; S323-A326 PolarHBondContact O-N 3.08Å; S323-A326 VanDerWaalsContact OG-CB 3.27Å; S323-A326 WeakPolarHBondContact OG-CB 3.21Å; S323-A326 PolarHBondContact OG-N 2.8Å; S323-A326 VanDerWaalsContact OG-N 3.15Å; S323-R327 WeakPolarHBondContact O-CG 3.37Å; S323-R327 PolarHBondContact O-N 3.45Å
324	L	74.1	Confident	64.9	Low	14 Å²	14	80 Å²	80	7%	0.073	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-37.2	-177.2	-170.8	67.2	0	0	0	111.6	L307 V373 L374 S377 F379	L307-L324 HydrophobicContact CD2-CB 4.26Å; L307-L324 HydrophobicContact CD2-CD2 3.76Å; L307-L324 HydrophobicContact CD2-CG 4.48Å; L324-V373 HydrophobicContact CD1-CG1 3.63Å; L324-V373 HydrophobicContact CD2-CG1 4.12Å; L324-V373 HydrophobicContact CG-CG1 3.67Å; L324-L374 HydrophobicContact CD2-CD2 4.48Å; L324-S377 WeakPolarHBondContact CD2-OG 3.3Å; L324-F379 HydrophobicContact CD2-CE1 4.11Å
325	L	78.2	Confident	65.2	Low	6 Å²	6	81.1 Å²	81.1	3%	0.031	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-40.1	175.2	-65.9	178.9	0	0	0	112.5	L307 S323 R327 T328 V338 A340 R366 I370	L307-L325 HydrophobicContact CB-CD1 3.74Å; L307-L325 HydrophobicContact CB-CG 3.97Å; L307-L325 HydrophobicContact CD2-CD2 4.47Å; L307-L325 HydrophobicContact CD2-CG 4.31Å; L307-L325 WeakPolarHBondContact O-CG 3.36Å; S323-L325 PolarHBondContact O-N 3.44Å; L325-R327 VanDerWaalsContact C-N 3.27Å; L325-R327 PolarHBondContact O-N 3.31Å; L325-T328 PolarHBondContact O-N 2.94Å; L325-T328 PolarHBondContact O-OG1 3.1Å; L325-V338 HydrophobicContact CB-CG1 4.21Å; L325-V338 HydrophobicContact CD1-CG1 4.07Å; L325-V338 HydrophobicContact CD2-CG1 4.29Å; L325-V338 HydrophobicContact CG-CG1 4.43Å; L325-A340 HydrophobicContact CD1-CB 3.86Å; L325-R366 PolarHBondContact O-NH2 3.19Å; L325-I370 HydrophobicContact CD2-CG1 4.34Å; L325-I370 HydrophobicContact CD2-CG2 3.59Å
326	A	72.4	Confident	66	Low	15 Å²	15	72.7 Å²	72.7	12%	0.124	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-60.3	-39.5	176.9	0	0	0	0	0	111.6	S321 S323 T328 A329	S321-A326 VanDerWaalsContact O-CB 3.3Å; S321-A326 WeakPolarHBondContact O-CB 3.35Å; S323-A326 PolarHBondContact O-N 3.08Å; S323-A326 VanDerWaalsContact OG-CB 3.27Å; S323-A326 WeakPolarHBondContact OG-CB 3.21Å; S323-A326 PolarHBondContact OG-N 2.8Å; S323-A326 VanDerWaalsContact OG-N 3.15Å; A326-T328 PolarHBondContact O-N 3.43Å; A326-T328 VanDerWaalsContact O-N 3.1Å; A326-A329 VanDerWaalsContact O-CB 3.29Å; A326-A329 WeakPolarHBondContact O-CB 3.31Å; A326-A329 PolarHBondContact O-N 2.79Å; A326-A329 VanDerWaalsContact O-N 3.09Å
327	R	71.4	Confident	67.2	Low	188 Å²	188	70 Å²	70	71%	0.709	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-61.6	-13.5	176.8	-73.5	177.9	63.9	-155.4	-3.6	115.8	S323 L325 A329	S323-R327 WeakPolarHBondContact O-CG 3.37Å; S323-R327 PolarHBondContact O-N 3.45Å; L325-R327 VanDerWaalsContact C-N 3.27Å; L325-R327 PolarHBondContact O-N 3.31Å; R327-A329 VanDerWaalsContact C-N 3.25Å
328	T	73.2	Confident	68.6	Low	8 Å²	8	70.5 Å²	70.5	5%	0.049	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-83.5	0	174.9	57.1	0	0	0	0	113.5	L325 A326 R366 R369 I370 V373	L325-T328 PolarHBondContact O-N 2.94Å; L325-T328 PolarHBondContact O-OG1 3.1Å; A326-T328 PolarHBondContact O-N 3.43Å; A326-T328 VanDerWaalsContact O-N 3.1Å; T328-R366 VanDerWaalsContact C-CZ 3.49Å; T328-R366 WeakPolarHBondContact O-CD 3.49Å; T328-R366 PolarHBondContact O-NE 3.47Å; T328-R366 PolarHBondContact OG1-NE 2.72Å; T328-R366 PolarHBondContact OG1-NH2 2.87Å; T328-R369 PolarHBondContact O-NE 2.95Å; T328-R369 VanDerWaalsContact O-NE 3.09Å; T328-I370 HydrophobicContact CG2-CG1 4.15Å; T328-I370 WeakPolarHBondContact OG1-CG1 3.26Å; T328-V373 HydrophobicContact CG2-CB 3.86Å; T328-V373 HydrophobicContact CG2-CG1 4.15Å; T328-V373 HydrophobicContact CG2-CG2 3.69Å
329	A	68.6	Low	70.2	Confident	36 Å²	36	68.7 Å²	68.7	30%	0.298	37%	0.371	S	S	.	.			trans	-77	129	174.2	0	0	0	0	0	111.2	A326 R327 D333 R366	A326-A329 VanDerWaalsContact O-CB 3.29Å; A326-A329 WeakPolarHBondContact O-CB 3.31Å; A326-A329 PolarHBondContact O-N 2.79Å; A326-A329 VanDerWaalsContact O-N 3.09Å; R327-A329 VanDerWaalsContact C-N 3.25Å; A329-D333 WeakPolarHBondContact CA-OD2 3.35Å; A329-D333 HydrophobicContact CB-CB 4.38Å; A329-R366 VanDerWaalsContact N-CZ 3.34Å
330	V	72.1	Confident	72	Confident	84 Å²	84	65 Å²	65	51%	0.509	35%	0.351	S	S	.	.			trans	-101.8	157.5	170	-177.6	0	0	0	0	109.1	G332 D333	V330-G332 PolarHBondContact O-N 2.85Å; V330-D333 PolarHBondContact N-OD2 2.73Å; V330-D333 WeakPolarHBondContact O-CB 3.42Å; V330-D333 PolarHBondContact O-N 2.86Å
331	E	57.5	Low	73.8	Confident	197 Å²	197	61.8 Å²	61.8	92%	0.921	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	105.5	169	-65.2	-178.7	169.8	0	0	109.6
332	G	59.4	Low	75.5	Confident	63 Å²	63	63.5 Å²	63.5	65%	0.649	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	128.8	-25.1	-169.6	0	0	0	0	0	114.2	V330 I334	V330-G332 PolarHBondContact O-N 2.85Å; G332-I334 PolarHBondContact O-N 2.89Å
333	D	66.4	Low	77	Confident	10 Å²	10	57.6 Å²	57.6	5%	0.053	30%	0.301	C	S	.	.			trans	-82.2	7.6	177.5	-72.9	-29.7	0	0	0	114	A329 V330 E335 T336 R366 R369	A329-D333 WeakPolarHBondContact CA-OD2 3.35Å; A329-D333 HydrophobicContact CB-CB 4.38Å; V330-D333 PolarHBondContact N-OD2 2.73Å; V330-D333 WeakPolarHBondContact O-CB 3.42Å; V330-D333 PolarHBondContact O-N 2.86Å; D333-E335 PolarHBondContact O-N 3.41Å; D333-T336 WeakPolarHBondContact O-CB 3.49Å; D333-T336 PolarHBondContact O-N 2.84Å; D333-T336 PolarHBondContact O-OG1 3.25Å; D333-R366 IonicContact OD2-NH1 2.89Å; D333-R369 IonicContact OD1-NH2 2.72Å; D333-R369 PolarHBondContact OD1-NH2 3.45Å; D333-R369 IonicContact OD2-CZ 2.89Å; D333-R369 IonicContact OD2-NE 3.27Å; D333-R369 IonicContact OD2-NH2 3.24Å; D333-R369 PolarHBondContact OD2-NH2 3.38Å
334	I	63.4	Low	77.7	Confident	123 Å²	123	60.2 Å²	60.2	63%	0.631	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.5	-159.8	-59.3	170.2	0	0	0	112.7	G332	G332-I334 PolarHBondContact O-N 2.89Å
335	E	74.2	Confident	78.4	Confident	138 Å²	138	61.4 Å²	61.4	65%	0.645	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-9.7	178.7	-59.1	-174.4	165	0	0	114.3	D333	D333-E335 PolarHBondContact O-N 3.41Å
336	T	82	Confident	78.7	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.031	33%	0.332	C	S	.	.			trans	-79.5	134.4	178.2	64.8	0	0	0	0	111.4	D333 A356 A362 V363 R366	D333-T336 WeakPolarHBondContact O-CB 3.49Å; D333-T336 PolarHBondContact O-N 2.84Å; D333-T336 PolarHBondContact O-OG1 3.25Å; T336-A356 CarbonylContact C-O 3.4Å; T336-A356 VanDerWaalsContact CA-O 3.27Å; T336-A356 WeakPolarHBondContact CA-O 3.27Å; T336-A362 HydrophobicContact CG2-CB 4.18Å; T336-V363 HydrophobicContact CG2-CG2 4.31Å; T336-R366 PolarHBondContact OG1-NH1 3.4Å; T336-R366 VanDerWaalsContact OG1-NH1 3.16Å
337	E	84.4	Confident	79.3	Confident	93 Å²	93	67.2 Å²	67.2	44%	0.435	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.4	169.4	35.4	-163.7	111.6	0	0	110.6	R318 V355 A356	R318-E337 IonicContact CZ-OE1 2.73Å; R318-E337 IonicContact CZ-OE2 3.61Å; R318-E337 IonicContact NH1-OE1 3.42Å; R318-E337 PolarHBondContact NH1-OE1 2.92Å; R318-E337 IonicContact NH1-OE2 3.88Å; R318-E337 PolarHBondContact NH1-OE2 3.29Å; R318-E337 IonicContact NH2-OE1 3.6Å; R318-E337 PolarHBondContact NH2-OE1 3.4Å; E337-V355 CarbonylContact O-C 3.53Å; E337-V355 VanDerWaalsContact O-CA 3.32Å; E337-V355 WeakPolarHBondContact O-CA 3.32Å; E337-A356 HydrophobicContact CG-CB 4.11Å; E337-A356 PolarHBondContact N-O 2.66Å; E337-A356 PolarHBondContact O-N 2.73Å
338	V	87.3	Confident	80.1	Confident	19 Å²	19	60.4 Å²	60.4	12%	0.115	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.1	-174.4	-175.9	0	0	0	0	108.5	L325 I353 A354 V355 R366 I370	L325-V338 HydrophobicContact CB-CG1 4.21Å; L325-V338 HydrophobicContact CD1-CG1 4.07Å; L325-V338 HydrophobicContact CD2-CG1 4.29Å; L325-V338 HydrophobicContact CG-CG1 4.43Å; V338-I353 HydrophobicContact CG1-CG2 3.65Å; V338-A354 CarbonylContact C-O 3.55Å; V338-A354 WeakPolarHBondContact CA-O 3.32Å; V338-V355 HydrophobicContact CG1-CG2 4.3Å; V338-V355 HydrophobicContact CG2-CG1 4.25Å; V338-V355 HydrophobicContact CG2-CG2 4.28Å; V338-R366 HydrophobicContact CG2-CG 4.11Å; V338-I370 HydrophobicContact CB-CD1 4.47Å; V338-I370 HydrophobicContact CG1-CD1 3.57Å; V338-I370 HydrophobicContact CG2-CD1 4.01Å
339	V	89.4	Confident	80.9	Confident	51 Å²	51	60.6 Å²	60.6	31%	0.309	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	116.6	-178.5	-179.1	0	0	0	0	110.1	I353 A354	V339-I353 WeakPolarHBondContact O-CA 3.42Å; V339-A354 PolarHBondContact N-O 3.37Å; V339-A354 PolarHBondContact O-N 3.3Å
340	A	91.7	Very high	82.1	Confident	2 Å²	2	58.9 Å²	58.9	2%	0.017	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	141.2	163.9	0	0	0	0	0	110.3	V304 L307 N308 L325 F351 G352	V304-A340 HydrophobicContact CG1-CB 4.35Å; V304-A340 WeakPolarHBondContact CG1-O 3.32Å; V304-A340 HydrophobicContact CG2-CB 4.4Å; L307-A340 HydrophobicContact CB-CB 3.82Å; L307-A340 HydrophobicContact CD1-CB 3.93Å; N308-A340 PolarHBondContact ND2-O 2.95Å; N308-A340 PolarHBondContact OD1-N 3.43Å; L325-A340 HydrophobicContact CD1-CB 3.86Å; A340-F351 HydrophobicContact CB-CE2 4.41Å; A340-G352 CarbonylContact C-O 3.5Å; A340-G352 WeakPolarHBondContact CA-O 3.43Å
341	F	92.9	Very high	83.1	Confident	23 Å²	23	55 Å²	55	10%	0.101	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	162.6	175.5	66	-93.7	0	0	0	111.2	M181 L184 Y288 A290 K343 G352 I353 A354	M181-F341 HydrophobicContact CE-CD1 4.41Å; M181-F341 HydrophobicContact CE-CD2 4.26Å; M181-F341 HydrophobicContact CE-CE1 4.27Å; M181-F341 HydrophobicContact CE-CE2 4.13Å; M181-F341 HydrophobicContact CE-CG 4.41Å; M181-F341 HydrophobicContact CE-CZ 4.14Å; M181-F341 HydrophobicContact SD-CE2 4.34Å; L184-F341 HydrophobicContact CD2-CE2 3.86Å; L184-F341 HydrophobicContact CD2-CZ 3.52Å; Y288-F341 AromaticContact CD1-CE1 3.83Å; Y288-F341 HydrophobicContact CD1-CE1 3.83Å; Y288-F341 HydrophobicContact CD1-CZ 4.23Å; A290-F341 HydrophobicContact CB-CE2 4.44Å; A290-F341 HydrophobicContact CB-CZ 4.24Å; F341-K343 HydrophobicContact CD2-CG 4.42Å; F341-G352 PolarHBondContact N-O 2.89Å; F341-G352 PolarHBondContact O-N 3.19Å; F341-I353 VanDerWaalsContact CE1-C 3.47Å; F341-A354 HydrophobicContact CD1-CB 4.13Å; F341-A354 HydrophobicContact CE1-CB 4.14Å
342	H	93.2	Very high	84.9	Confident	47 Å²	47	45.6 Å²	45.6	22%	0.218	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.3	167.9	68.8	146.9	0	0	0	109.9	S300 V304 L350	S300-H342 PolarHBondContact OG-ND1 3.42Å; V304-H342 HydrophobicContact CG2-CB 3.93Å; H342-L350 CarbonylContact C-O 3.53Å; H342-L350 WeakPolarHBondContact CA-O 3.45Å
343	K	92.3	Very high	86.5	Confident	77 Å²	77	42.9 Å²	42.9	34%	0.335	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	126.9	171.3	-61	-65.8	-178.1	-179.8	0	107.6	F341 Y345 S349 L350	F341-K343 HydrophobicContact CD2-CG 4.42Å; K343-Y345 HydrophobicContact CB-CE2 3.86Å; K343-S349 CarbonylContact O-C 2.92Å; K343-S349 WeakPolarHBondContact O-CA 3.35Å; K343-S349 WeakPolarHBondContact O-CB 3.4Å; K343-L350 HydrophobicContact CB-CB 4.29Å; K343-L350 PolarHBondContact N-O 3.05Å; K343-L350 PolarHBondContact O-N 3.19Å
344	L	88.6	Confident	87.8	Confident	66 Å²	66	43.2 Å²	43.2	35%	0.346	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.9	-177.6	-67.4	155.7	0	0	0	107.8	C297	C297-L344 HydrophobicContact CB-CD1 3.71Å; C297-L344 HydrophobicContact CB-CD2 4.35Å; C297-L344 WeakPolarHBondContact SG-CD1 3.36Å
345	Y	88.5	Confident	89.2	Confident	38 Å²	38	37.6 Å²	37.6	15%	0.149	19%	0.188	C	C	.	.			trans	-124.8	170.5	174.4	-57	-63.9	0	0	0	109	R121 E122 H185 F189 L198 K343 D347 H348	R121-Y345 HydrophobicContact CB-CE1 4.09Å; R121-Y345 HydrophobicContact CG-CE1 4.46Å; E122-Y345 HydrophobicContact CG-CD1 4.01Å; E122-Y345 VanDerWaalsContact OE2-CA 3.23Å; E122-Y345 WeakPolarHBondContact OE2-CA 3.26Å; H185-Y345 PolarHBondContact CD2-OH 3.45Å; H185-Y345 AromaticContact NE2-CZ 3.84Å; H185-Y345 PolarHBondContact NE2-OH 3.46Å; F189-Y345 HydrophobicContact CE2-CE2 4.37Å; L198-Y345 HydrophobicContact CD1-CD2 3.7Å; L198-Y345 HydrophobicContact CD1-CE2 4.42Å; L198-Y345 HydrophobicContact CD1-CG 3.84Å; L198-Y345 HydrophobicContact CD2-CD1 3.68Å; L198-Y345 HydrophobicContact CD2-CD2 4.11Å; L198-Y345 HydrophobicContact CD2-CE1 4.07Å; L198-Y345 HydrophobicContact CD2-CE2 4.45Å; L198-Y345 HydrophobicContact CD2-CG 3.72Å; L198-Y345 HydrophobicContact CG-CG 4.45Å; K343-Y345 HydrophobicContact CB-CE2 3.86Å; Y345-D347 PolarHBondContact O-N 3.16Å; Y345-H348 CarbonylContact C-O 3.58Å; Y345-H348 WeakPolarHBondContact CA-O 3.3Å; Y345-H348 VanDerWaalsContact CB-O 3.29Å; Y345-H348 WeakPolarHBondContact CB-O 3.47Å; Y345-H348 PolarHBondContact N-O 2.85Å
346	I	84.9	Confident	90	Very high	63 Å²	63	31.6 Å²	31.6	32%	0.323	16%	0.162	S	C	.	.	S	Bend	trans	-59.8	-32	-174.6	-66.7	166.5	0	0	0	112.5	E122	E122-I346 PolarHBondContact OE1-N 3.08Å; E122-I346 VanDerWaalsContact OE1-N 3.1Å; E122-I346 PolarHBondContact OE2-N 3.1Å
347	D	84.3	Confident	90.5	Very high	80 Å²	80	31.5 Å²	31.5	43%	0.428	16%	0.163	S	C	.	.	S	Bend	trans	-126.6	-16.2	-174.5	63.3	-18.1	0	0	0	114.7	R67 Y345	R67-D347 IonicContact CZ-OD1 3.61Å; R67-D347 IonicContact CZ-OD2 2.72Å; R67-D347 IonicContact NH1-OD1 2.76Å; R67-D347 PolarHBondContact NH1-OD1 2.89Å; R67-D347 IonicContact NH1-OD2 2.88Å; R67-D347 VanDerWaalsContact NH2-CG 3.28Å; R67-D347 IonicContact NH2-OD1 3.69Å; R67-D347 PolarHBondContact NH2-OD1 3.31Å; R67-D347 IonicContact NH2-OD2 3.15Å; R67-D347 PolarHBondContact NH2-OD2 2.96Å; Y345-D347 PolarHBondContact O-N 3.16Å
348	H	88.2	Confident	90.7	Very high	46 Å²	46	29.5 Å²	29.5	21%	0.213	16%	0.162	C	C	.	.			trans	-129.9	155.4	-177.8	-68.1	91.2	0	0	0	111.3	F189 L198 G269 Y345	F189-H348 HydrophobicContact CE1-CB 4.03Å; F189-H348 AromaticContact CE1-CG 3.98Å; F189-H348 HydrophobicContact CZ-CB 4.08Å; L198-H348 HydrophobicContact CD1-CB 4Å; G269-H348 WeakPolarHBondContact CA-NE2 3.4Å; Y345-H348 CarbonylContact C-O 3.58Å; Y345-H348 WeakPolarHBondContact CA-O 3.3Å; Y345-H348 VanDerWaalsContact CB-O 3.29Å; Y345-H348 WeakPolarHBondContact CB-O 3.47Å; Y345-H348 PolarHBondContact N-O 2.85Å
349	S	90.1	Very high	90.8	Very high	11 Å²	11	31.5 Å²	31.5	8%	0.077	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	147.8	163.7	81.7	0	0	0	0	111.7	P292 M293 K343	P292-S349 WeakPolarHBondContact CA-O 3.35Å; M293-S349 WeakPolarHBondContact CB-OG 3.19Å; M293-S349 PolarHBondContact N-O 3.02Å; M293-S349 PolarHBondContact O-OG 3.03Å; K343-S349 CarbonylContact O-C 2.92Å; K343-S349 WeakPolarHBondContact O-CA 3.35Å; K343-S349 WeakPolarHBondContact O-CB 3.4Å
350	L	92.9	Very high	90.7	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.7	173.4	-60.7	179	0	0	0	108.6	A188 F189 F270 A290 W291 H342 K343	A188-L350 HydrophobicContact CB-CD1 4.16Å; A188-L350 HydrophobicContact CB-CD2 4.17Å; F189-L350 HydrophobicContact CE2-CD1 3.78Å; F189-L350 HydrophobicContact CE2-CD2 4.23Å; F189-L350 HydrophobicContact CE2-CG 4.1Å; F189-L350 HydrophobicContact CZ-CD1 4.19Å; F189-L350 HydrophobicContact CZ-CD2 3.87Å; F189-L350 HydrophobicContact CZ-CG 3.99Å; F270-L350 HydrophobicContact CD2-CD2 3.79Å; F270-L350 HydrophobicContact CE2-CD2 3.59Å; A290-L350 HydrophobicContact CB-CB 4.47Å; W291-L350 WeakPolarHBondContact O-CA 3.41Å; H342-L350 CarbonylContact C-O 3.53Å; H342-L350 WeakPolarHBondContact CA-O 3.45Å; K343-L350 HydrophobicContact CB-CB 4.29Å; K343-L350 PolarHBondContact N-O 3.05Å; K343-L350 PolarHBondContact O-N 3.19Å
351	F	94.4	Very high	90.6	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.6	164.3	162.6	-100.4	0	0	0	107.9	A290 W291 M293 I303 V304 L307 A340 L443 T446 V447	A290-F351 CarbonylContact C-O 3.57Å; A290-F351 VanDerWaalsContact CA-O 3.26Å; A290-F351 WeakPolarHBondContact CA-O 3.42Å; W291-F351 HydrophobicContact CE3-CD1 4.23Å; W291-F351 HydrophobicContact CE3-CE1 4.31Å; W291-F351 HydrophobicContact CZ3-CE1 4.4Å; W291-F351 PolarHBondContact N-O 3.38Å; W291-F351 PolarHBondContact O-N 3.44Å; M293-F351 HydrophobicContact CB-CB 3.95Å; M293-F351 HydrophobicContact SD-CB 3.98Å; I303-F351 HydrophobicContact CG2-CD2 4.23Å; I303-F351 HydrophobicContact CG2-CE2 3.65Å; I303-F351 HydrophobicContact CG2-CZ 3.93Å; V304-F351 HydrophobicContact CG2-CD2 4.05Å; V304-F351 HydrophobicContact CG2-CE2 4.07Å; L307-F351 HydrophobicContact CD1-CE2 3.74Å; L307-F351 HydrophobicContact CD1-CZ 3.41Å; L307-F351 VanDerWaalsContact CD1-CZ 3.41Å; A340-F351 HydrophobicContact CB-CE2 4.41Å; F351-L443 HydrophobicContact CE1-CD1 4.09Å; F351-L443 HydrophobicContact CZ-CD1 4.27Å; F351-T446 HydrophobicContact CB-CG2 4.31Å; F351-T446 HydrophobicContact CD1-CG2 3.88Å; F351-V447 HydrophobicContact CE1-CG2 4.39Å
352	G	93.5	Very high	90.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	179.4	-174.6	0	0	0	0	0	114.7	L289 A340 F341	L289-G352 CarbonylContact O-C 3.51Å; L289-G352 WeakPolarHBondContact O-CA 3.46Å; A340-G352 CarbonylContact C-O 3.5Å; A340-G352 WeakPolarHBondContact CA-O 3.43Å; F341-G352 PolarHBondContact N-O 2.89Å; F341-G352 PolarHBondContact O-N 3.19Å
353	I	93.9	Very high	90.4	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.031	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.3	-178.6	-61.5	154	0	0	0	108	Y288 L289 W291 V338 V339 F341 V355 I370 L374	Y288-I353 WeakPolarHBondContact CA-O 3.37Å; L289-I353 PolarHBondContact N-O 3.14Å; L289-I353 PolarHBondContact O-N 2.7Å; W291-I353 HydrophobicContact CZ3-CD1 4.27Å; V338-I353 HydrophobicContact CG1-CG2 3.65Å; V339-I353 WeakPolarHBondContact O-CA 3.42Å; F341-I353 VanDerWaalsContact CE1-C 3.47Å; I353-V355 HydrophobicContact CG2-CG2 3.99Å; I353-I370 HydrophobicContact CD1-CG2 3.27Å; I353-I370 HydrophobicContact CG1-CG2 4.42Å; I353-I370 HydrophobicContact CG2-CD1 4.39Å; I353-L374 HydrophobicContact CD1-CD1 3.41Å; I353-L374 VanDerWaalsContact CD1-CD1 3.41Å; I353-L374 HydrophobicContact CD1-CG 4.42Å
354	A	94	Very high	90.3	Very high	18 Å²	18	29.8 Å²	29.8	15%	0.149	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.5	166.9	0	0	0	0	0	108.3	A287 Y288 V338 V339 F341	A287-A354 CarbonylContact O-C 3.55Å; A287-A354 WeakPolarHBondContact O-CA 3.27Å; Y288-A354 HydrophobicContact CD1-CB 3.59Å; Y288-A354 HydrophobicContact CE1-CB 3.44Å; Y288-A354 VanDerWaalsContact CE1-CB 3.44Å; V338-A354 CarbonylContact C-O 3.55Å; V338-A354 WeakPolarHBondContact CA-O 3.32Å; V339-A354 PolarHBondContact N-O 3.37Å; V339-A354 PolarHBondContact O-N 3.3Å; F341-A354 HydrophobicContact CD1-CB 4.13Å; F341-A354 HydrophobicContact CE1-CB 4.14Å
355	V	92.6	Very high	90.4	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.024	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129.2	169.8	-174.7	0	0	0	0	107.7	A287 E337 V338 I353 V363 R366 I367 I370	A287-V355 HydrophobicContact CB-CB 4.49Å; A287-V355 PolarHBondContact N-O 3.19Å; A287-V355 PolarHBondContact O-N 3.4Å; E337-V355 CarbonylContact O-C 3.53Å; E337-V355 VanDerWaalsContact O-CA 3.32Å; E337-V355 WeakPolarHBondContact O-CA 3.32Å; V338-V355 HydrophobicContact CG1-CG2 4.3Å; V338-V355 HydrophobicContact CG2-CG1 4.25Å; V338-V355 HydrophobicContact CG2-CG2 4.28Å; I353-V355 HydrophobicContact CG2-CG2 3.99Å; V355-V363 HydrophobicContact CB-CG1 4.26Å; V355-V363 HydrophobicContact CG1-CB 4.4Å; V355-V363 HydrophobicContact CG1-CG1 3.89Å; V355-V363 HydrophobicContact CG1-CG2 4.29Å; V355-R366 HydrophobicContact CG1-CG 4.44Å; V355-I367 HydrophobicContact CB-CG1 4.24Å; V355-I367 HydrophobicContact CG2-CG1 3.8Å; V355-I370 HydrophobicContact CG2-CD1 3.98Å
356	A	91.7	Very high	90.4	Very high	12 Å²	12	27 Å²	27	10%	0.099	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.4	172.7	0	0	0	0	0	111.2	T284 V285 Y286 T336 E337	T284-A356 HydrophobicContact CG2-CB 4.27Å; V285-A356 CarbonylContact O-C 3.5Å; V285-A356 WeakPolarHBondContact O-CA 3.5Å; Y286-A356 HydrophobicContact CD1-CB 3.55Å; Y286-A356 HydrophobicContact CE1-CB 3.72Å; Y286-A356 HydrophobicContact CG-CB 4.36Å; T336-A356 CarbonylContact C-O 3.4Å; T336-A356 VanDerWaalsContact CA-O 3.27Å; T336-A356 WeakPolarHBondContact CA-O 3.27Å; E337-A356 HydrophobicContact CG-CB 4.11Å; E337-A356 PolarHBondContact N-O 2.66Å; E337-A356 PolarHBondContact O-N 2.73Å
357	G	90.8	Very high	90.7	Very high	4 Å²	4	24.4 Å²	24.4	4%	0.041	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	161.8	178.3	0	0	0	0	0	113.1	V285	V285-G357 PolarHBondContact N-O 2.86Å; V285-G357 PolarHBondContact O-N 3.36Å
358	A	89.1	Confident	91	Very high	51 Å²	51	22.4 Å²	22.4	42%	0.421	14%	0.135	S	C	.	.	S	Bend	trans	-70.5	-36.8	-178.3	0	0	0	0	0	113.2
359	C	88.9	Confident	91.1	Very high	60 Å²	60	23.5 Å²	23.5	41%	0.405	14%	0.138	S	C	.	.			trans	-97.9	117.2	-176.7	-179.8	0	0	0	0	112.4	K361 A362 V363	C359-K361 VanDerWaalsContact C-N 3.32Å; C359-K361 PolarHBondContact O-N 2.9Å; C359-A362 HydrophobicContact CB-CB 3.96Å; C359-A362 PolarHBondContact O-N 3.46Å; C359-V363 PolarHBondContact O-N 3.15Å; C359-V363 VanDerWaalsContact O-N 3.14Å
360	P	89	Confident	91.2	Very high	14 Å²	14	23.1 Å²	23.1	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-58.4	-39.2	178.7	-19.1	25.7	0	0	0	113.5	V285 V363 G364 D460 F463 I464	V285-P360 HydrophobicContact CG2-CB 4.04Å; V285-P360 HydrophobicContact CG2-CG 3.74Å; P360-V363 PolarHBondContact O-N 3.13Å; P360-G364 PolarHBondContact O-N 3.22Å; P360-D460 HydrophobicContact CG-CB 4.1Å; P360-F463 HydrophobicContact CB-CB 4.18Å; P360-F463 HydrophobicContact CB-CD2 4.46Å; P360-I464 HydrophobicContact CB-CD1 4.48Å; P360-I464 HydrophobicContact CB-CG1 4.4Å; P360-I464 WeakPolarHBondContact O-CG1 3.35Å
361	K	89.5	Confident	91.1	Very high	124 Å²	124	23.1 Å²	23.1	54%	0.539	14%	0.135	S	C	.	.	H	α-helix	trans	-64.1	-41.2	179	-68.5	178.6	179.8	177.8	0	112.1	C359 S365 F463	C359-K361 VanDerWaalsContact C-N 3.32Å; C359-K361 PolarHBondContact O-N 2.9Å; K361-S365 WeakPolarHBondContact O-CB 3.36Å; K361-S365 PolarHBondContact O-N 2.88Å; K361-F463 HydrophobicContact CD-CD1 4.37Å; K361-F463 HydrophobicContact CD-CG 4.48Å; K361-F463 HydrophobicContact CG-CB 3.79Å; K361-F463 HydrophobicContact CG-CD1 4.2Å; K361-F463 HydrophobicContact CG-CD2 4.46Å; K361-F463 HydrophobicContact CG-CG 3.91Å
362	A	89.5	Confident	90.9	Very high	20 Å²	20	25.8 Å²	25.8	17%	0.165	15%	0.154	C	C	.	.	H	α-helix	trans	-62.6	-49.7	175.9	0	0	0	0	0	110.3	T336 C359 G364 S365 R366	T336-A362 HydrophobicContact CG2-CB 4.18Å; C359-A362 HydrophobicContact CB-CB 3.96Å; C359-A362 PolarHBondContact O-N 3.46Å; A362-G364 PolarHBondContact O-N 3.41Å; A362-S365 PolarHBondContact O-N 3.48Å; A362-S365 PolarHBondContact O-OG 2.73Å; A362-R366 VanDerWaalsContact O-CB 3.29Å; A362-R366 WeakPolarHBondContact O-CB 3.39Å; A362-R366 PolarHBondContact O-N 3.03Å
363	V	91	Very high	90.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-55.6	-49.6	176.5	171.5	0	0	0	0	111.8	V285 A287 T336 V355 C359 P360 R366 I367 I464	V285-V363 HydrophobicContact CG1-CG1 4.39Å; A287-V363 HydrophobicContact CB-CG1 3.85Å; T336-V363 HydrophobicContact CG2-CG2 4.31Å; V355-V363 HydrophobicContact CB-CG1 4.26Å; V355-V363 HydrophobicContact CG1-CB 4.4Å; V355-V363 HydrophobicContact CG1-CG1 3.89Å; V355-V363 HydrophobicContact CG1-CG2 4.29Å; C359-V363 PolarHBondContact O-N 3.15Å; C359-V363 VanDerWaalsContact O-N 3.14Å; P360-V363 PolarHBondContact O-N 3.13Å; V363-R366 PolarHBondContact O-N 3.32Å; V363-I367 HydrophobicContact CG1-CD1 3.9Å; V363-I367 WeakPolarHBondContact O-CG1 3.22Å; V363-I367 PolarHBondContact O-N 2.83Å; V363-I464 HydrophobicContact CB-CD1 4.42Å; V363-I464 HydrophobicContact CG1-CD1 4.03Å
364	G	90.7	Very high	90.5	Very high	6 Å²	6	27.4 Å²	27.4	6%	0.062	16%	0.164	C	C	.	.	H	α-helix	trans	-59.7	-47.7	177.6	0	0	0	0	0	112.9	P360 A362 R366 I367 K368	P360-G364 PolarHBondContact O-N 3.22Å; A362-G364 PolarHBondContact O-N 3.41Å; G364-R366 PolarHBondContact O-N 2.84Å; G364-I367 PolarHBondContact O-N 2.85Å; G364-K368 PolarHBondContact O-N 2.8Å
365	S	90.1	Very high	90.3	Very high	43 Å²	43	28.5 Å²	28.5	30%	0.301	16%	0.164	S	C	.	.	H	α-helix	trans	-62.6	-33.3	176.7	84.9	0	0	0	0	112.5	K361 A362 R369	K361-S365 WeakPolarHBondContact O-CB 3.36Å; K361-S365 PolarHBondContact O-N 2.88Å; A362-S365 PolarHBondContact O-N 3.48Å; A362-S365 PolarHBondContact O-OG 2.73Å; S365-R369 PolarHBondContact O-N 3.1Å; S365-R369 PolarHBondContact O-NH1 2.82Å; S365-R369 VanDerWaalsContact O-NH1 3.09Å; S365-R369 PolarHBondContact OG-NH1 2.71Å; S365-R369 PolarHBondContact OG-NH2 3.31Å; S365-R369 VanDerWaalsContact OG-NH2 3.08Å
366	R	89.5	Confident	90	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.015	20%	0.195	C	C	.	.	H	α-helix	trans	-72.2	-40.4	-179.4	-176.3	54.4	176.3	-85.9	7	111.6	L325 T328 A329 D333 T336 V338 V355 A362 V363 G364 K368 R369 I370	L325-R366 PolarHBondContact O-NH2 3.19Å; T328-R366 VanDerWaalsContact C-CZ 3.49Å; T328-R366 WeakPolarHBondContact O-CD 3.49Å; T328-R366 PolarHBondContact O-NE 3.47Å; T328-R366 PolarHBondContact OG1-NE 2.72Å; T328-R366 PolarHBondContact OG1-NH2 2.87Å; A329-R366 VanDerWaalsContact N-CZ 3.34Å; D333-R366 IonicContact OD2-NH1 2.89Å; T336-R366 PolarHBondContact OG1-NH1 3.4Å; T336-R366 VanDerWaalsContact OG1-NH1 3.16Å; V338-R366 HydrophobicContact CG2-CG 4.11Å; V355-R366 HydrophobicContact CG1-CG 4.44Å; A362-R366 VanDerWaalsContact O-CB 3.29Å; A362-R366 WeakPolarHBondContact O-CB 3.39Å; A362-R366 PolarHBondContact O-N 3.03Å; V363-R366 PolarHBondContact O-N 3.32Å; G364-R366 PolarHBondContact O-N 2.84Å; R366-K368 VanDerWaalsContact C-N 3.34Å; R366-K368 PolarHBondContact O-N 2.82Å; R366-R369 PolarHBondContact O-N 2.83Å; R366-I370 HydrophobicContact CG-CD1 3.87Å; R366-I370 WeakPolarHBondContact O-CD1 3.27Å; R366-I370 WeakPolarHBondContact O-CG1 3.34Å; R366-I370 PolarHBondContact O-N 2.72Å
367	I	91.8	Very high	89.7	Confident	7 Å²	7	33.5 Å²	33.5	4%	0.036	20%	0.198	C	C	.	.	H	α-helix	trans	-58.3	-46.1	174.8	-67.5	160.2	0	0	0	110.6	A287 L289 V355 V363 G364 I370 I371 F454 L470	A287-I367 HydrophobicContact CB-CD1 3.68Å; L289-I367 HydrophobicContact CD2-CG2 4.12Å; V355-I367 HydrophobicContact CB-CG1 4.24Å; V355-I367 HydrophobicContact CG2-CG1 3.8Å; V363-I367 HydrophobicContact CG1-CD1 3.9Å; V363-I367 WeakPolarHBondContact O-CG1 3.22Å; V363-I367 PolarHBondContact O-N 2.83Å; G364-I367 PolarHBondContact O-N 2.85Å; I367-I370 PolarHBondContact O-N 3.16Å; I367-I370 VanDerWaalsContact O-N 3.15Å; I367-I371 HydrophobicContact CG2-CD1 3.94Å; I367-I371 HydrophobicContact CG2-CG1 4.47Å; I367-I371 WeakPolarHBondContact O-CG1 3.21Å; I367-I371 PolarHBondContact O-N 2.85Å; I367-F454 HydrophobicContact CD1-CE2 4.06Å; I367-F454 HydrophobicContact CD1-CZ 4.03Å; I367-L470 HydrophobicContact CG2-CD1 4.2Å
368	K	90.6	Very high	89.5	Confident	38 Å²	38	36.5 Å²	36.5	17%	0.165	22%	0.218	C	C	.	.	H	α-helix	trans	-54.5	-54	174.4	-73.5	-170.5	163.7	-152.2	0	113.1	G364 R366 I370 I371 S372 E465 L470 E473	G364-K368 PolarHBondContact O-N 2.8Å; R366-K368 VanDerWaalsContact C-N 3.34Å; R366-K368 PolarHBondContact O-N 2.82Å; K368-I370 PolarHBondContact O-N 2.84Å; K368-I371 PolarHBondContact O-N 3.36Å; K368-I371 VanDerWaalsContact O-N 3.15Å; K368-S372 PolarHBondContact O-N 3.17Å; K368-E465 WeakPolarHBondContact CE-OE1 3.36Å; K368-E465 WeakPolarHBondContact CE-OE2 3.36Å; K368-E465 IonicContact NZ-OE1 2.75Å; K368-E465 PolarHBondContact NZ-OE1 3.43Å; K368-E465 IonicContact NZ-OE2 2.73Å; K368-E465 PolarHBondContact NZ-OE2 2.65Å; K368-L470 HydrophobicContact CD-CD2 4.31Å; K368-L470 HydrophobicContact CG-CD2 3.54Å; K368-E473 WeakPolarHBondContact CB-OE2 3.21Å; K368-E473 WeakPolarHBondContact CD-OE1 3.29Å; K368-E473 WeakPolarHBondContact CD-OE2 3.44Å; K368-E473 VanDerWaalsContact CE-OE1 3.27Å; K368-E473 WeakPolarHBondContact CE-OE1 3.37Å; K368-E473 WeakPolarHBondContact CG-OE2 3.29Å; K368-E473 IonicContact NZ-OE1 2.69Å; K368-E473 PolarHBondContact NZ-OE1 2.69Å
369	R	89.8	Confident	89.5	Confident	69 Å²	69	34.4 Å²	34.4	26%	0.26	20%	0.2	S	C	.	.	H	α-helix	trans	-56.5	-37.5	176.9	-73.8	-171.3	-65.9	-74.5	-0.1	112.2	T328 D333 S365 R366 V373	T328-R369 PolarHBondContact O-NE 2.95Å; T328-R369 VanDerWaalsContact O-NE 3.09Å; D333-R369 IonicContact OD1-NH2 2.72Å; D333-R369 PolarHBondContact OD1-NH2 3.45Å; D333-R369 IonicContact OD2-CZ 2.89Å; D333-R369 IonicContact OD2-NE 3.27Å; D333-R369 IonicContact OD2-NH2 3.24Å; D333-R369 PolarHBondContact OD2-NH2 3.38Å; S365-R369 PolarHBondContact O-N 3.1Å; S365-R369 PolarHBondContact O-NH1 2.82Å; S365-R369 VanDerWaalsContact O-NH1 3.09Å; S365-R369 PolarHBondContact OG-NH1 2.71Å; S365-R369 PolarHBondContact OG-NH2 3.31Å; S365-R369 VanDerWaalsContact OG-NH2 3.08Å; R366-R369 PolarHBondContact O-N 2.83Å; R369-V373 WeakPolarHBondContact O-CB 3.34Å; R369-V373 WeakPolarHBondContact O-CG2 3.29Å; R369-V373 PolarHBondContact O-N 2.82Å
370	I	91.3	Very high	89.6	Confident	3 Å²	3	35 Å²	35	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-69	-44.7	177.6	-64.8	159.4	0	0	0	111.7	L325 T328 V338 I353 V355 R366 I367 K368 V373 L374	L325-I370 HydrophobicContact CD2-CG1 4.34Å; L325-I370 HydrophobicContact CD2-CG2 3.59Å; T328-I370 HydrophobicContact CG2-CG1 4.15Å; T328-I370 WeakPolarHBondContact OG1-CG1 3.26Å; V338-I370 HydrophobicContact CB-CD1 4.47Å; V338-I370 HydrophobicContact CG1-CD1 3.57Å; V338-I370 HydrophobicContact CG2-CD1 4.01Å; I353-I370 HydrophobicContact CD1-CG2 3.27Å; I353-I370 HydrophobicContact CG1-CG2 4.42Å; I353-I370 HydrophobicContact CG2-CD1 4.39Å; V355-I370 HydrophobicContact CG2-CD1 3.98Å; R366-I370 HydrophobicContact CG-CD1 3.87Å; R366-I370 WeakPolarHBondContact O-CD1 3.27Å; R366-I370 WeakPolarHBondContact O-CG1 3.34Å; R366-I370 PolarHBondContact O-N 2.72Å; I367-I370 PolarHBondContact O-N 3.16Å; I367-I370 VanDerWaalsContact O-N 3.15Å; K368-I370 PolarHBondContact O-N 2.84Å; I370-V373 PolarHBondContact O-N 2.86Å; I370-L374 HydrophobicContact CG2-CD1 4.31Å; I370-L374 HydrophobicContact CG2-CG 4.24Å; I370-L374 WeakPolarHBondContact O-CB 3.3Å; I370-L374 WeakPolarHBondContact O-CG 3.47Å; I370-L374 PolarHBondContact O-N 3.2Å
371	I	91.2	Very high	89.7	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-59.1	-49.5	176.2	-65.4	166.6	0	0	0	110.1	L289 W291 I367 K368 V373 L374 R375 L470	L289-I371 HydrophobicContact CD2-CD1 3.63Å; L289-I371 HydrophobicContact CD2-CG1 3.76Å; W291-I371 HydrophobicContact CH2-CG1 4.49Å; I367-I371 HydrophobicContact CG2-CD1 3.94Å; I367-I371 HydrophobicContact CG2-CG1 4.47Å; I367-I371 WeakPolarHBondContact O-CG1 3.21Å; I367-I371 PolarHBondContact O-N 2.85Å; K368-I371 PolarHBondContact O-N 3.36Å; K368-I371 VanDerWaalsContact O-N 3.15Å; I371-V373 VanDerWaalsContact C-N 3.35Å; I371-V373 PolarHBondContact O-N 3.04Å; I371-L374 PolarHBondContact O-N 3.09Å; I371-R375 HydrophobicContact CG2-CG 4.5Å; I371-R375 WeakPolarHBondContact O-CG 3.47Å; I371-R375 PolarHBondContact O-N 3.1Å; I371-L470 HydrophobicContact CD1-CB 3.96Å; I371-L470 VanDerWaalsContact CD1-O 3.3Å; I371-L470 WeakPolarHBondContact CD1-O 3.38Å
372	S	89.9	Confident	89.6	Confident	57 Å²	57	40.1 Å²	40.1	40%	0.399	23%	0.226	S	C	.	.	H	α-helix	trans	-57.5	-44.2	177.8	-179	0	0	0	0	112.4	K368 R375 S376	K368-S372 PolarHBondContact O-N 3.17Å; S372-R375 PolarHBondContact O-N 3.15Å; S372-S376 WeakPolarHBondContact O-CB 3.46Å; S372-S376 PolarHBondContact O-N 2.65Å; S372-S376 PolarHBondContact O-OG 3.12Å
373	V	89.1	Confident	89.6	Confident	39 Å²	39	41.4 Å²	41.4	24%	0.236	23%	0.231	C	C	.	.	H	α-helix	trans	-68.4	-40	176.4	166.7	0	0	0	0	112.2	L324 T328 R369 I370 I371 R375 S376 S377	L324-V373 HydrophobicContact CD1-CG1 3.63Å; L324-V373 HydrophobicContact CD2-CG1 4.12Å; L324-V373 HydrophobicContact CG-CG1 3.67Å; T328-V373 HydrophobicContact CG2-CB 3.86Å; T328-V373 HydrophobicContact CG2-CG1 4.15Å; T328-V373 HydrophobicContact CG2-CG2 3.69Å; R369-V373 WeakPolarHBondContact O-CB 3.34Å; R369-V373 WeakPolarHBondContact O-CG2 3.29Å; R369-V373 PolarHBondContact O-N 2.82Å; I370-V373 PolarHBondContact O-N 2.86Å; I371-V373 VanDerWaalsContact C-N 3.35Å; I371-V373 PolarHBondContact O-N 3.04Å; V373-R375 VanDerWaalsContact C-N 3.29Å; V373-R375 PolarHBondContact O-N 3.17Å; V373-S376 PolarHBondContact O-N 3.3Å; V373-S377 WeakPolarHBondContact O-CB 3.4Å; V373-S377 PolarHBondContact O-N 3.38Å; V373-S377 PolarHBondContact O-OG 3.45Å
374	L	90.3	Very high	89.6	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-66.1	-28.6	176.6	-74.3	-171.1	0	0	0	113.5	W291 L307 L324 I353 I370 I371 L443 V447	W291-L374 HydrophobicContact CH2-CD1 4.39Å; W291-L374 HydrophobicContact CZ3-CD1 4.43Å; L307-L374 HydrophobicContact CD1-CD2 4.12Å; L307-L374 HydrophobicContact CD2-CD2 3.5Å; L307-L374 HydrophobicContact CG-CD2 4.49Å; L324-L374 HydrophobicContact CD2-CD2 4.48Å; I353-L374 HydrophobicContact CD1-CD1 3.41Å; I353-L374 VanDerWaalsContact CD1-CD1 3.41Å; I353-L374 HydrophobicContact CD1-CG 4.42Å; I370-L374 HydrophobicContact CG2-CD1 4.31Å; I370-L374 HydrophobicContact CG2-CG 4.24Å; I370-L374 WeakPolarHBondContact O-CB 3.3Å; I370-L374 WeakPolarHBondContact O-CG 3.47Å; I370-L374 PolarHBondContact O-N 3.2Å; I371-L374 PolarHBondContact O-N 3.09Å; L374-L443 HydrophobicContact CD2-CD1 4.41Å; L374-V447 HydrophobicContact CB-CG1 3.81Å; L374-V447 HydrophobicContact CB-CG2 4.2Å; L374-V447 HydrophobicContact CD1-CG2 4.07Å
375	R	90	Very high	89.6	Confident	42 Å²	42	48.3 Å²	48.3	16%	0.158	26%	0.256	C	S	.	.	H	α-helix	trans	-82.2	-31.8	177.1	-72.8	-179.5	169.7	-175.6	-5.2	113.5	I371 S372 V373 V447 M448 L471 E473	I371-R375 HydrophobicContact CG2-CG 4.5Å; I371-R375 WeakPolarHBondContact O-CG 3.47Å; I371-R375 PolarHBondContact O-N 3.1Å; S372-R375 PolarHBondContact O-N 3.15Å; V373-R375 VanDerWaalsContact C-N 3.29Å; V373-R375 PolarHBondContact O-N 3.17Å; R375-V447 HydrophobicContact CG-CG1 3.62Å; R375-V447 PolarHBondContact NE-O 2.77Å; R375-V447 PolarHBondContact NH2-O 3.06Å; R375-M448 HydrophobicContact CB-CE 3.94Å; R375-M448 HydrophobicContact CB-SD 4.48Å; R375-M448 HydrophobicContact CG-CE 4.16Å; R375-M448 HydrophobicContact CG-SD 4.08Å; R375-M448 WeakPolarHBondContact O-CE 3.4Å; R375-L471 PolarHBondContact NH1-O 2.67Å; R375-L471 PolarHBondContact NH2-O 2.95Å; R375-E473 WeakPolarHBondContact CD-OXT 3.4Å; R375-E473 PolarHBondContact NH1-OXT 3.06Å
376	S	87.1	Confident	89.6	Confident	95 Å²	95	49.7 Å²	49.7	66%	0.664	26%	0.257	S	S	*	.	H	α-helix	trans	-96.9	-22.8	-174.3	58.2	0	0	0	0	114.8	S372 V373	S372-S376 WeakPolarHBondContact O-CB 3.46Å; S372-S376 PolarHBondContact O-N 2.65Å; S372-S376 PolarHBondContact O-OG 3.12Å; V373-S376 PolarHBondContact O-N 3.3Å
377	S	84.2	Confident	89.6	Confident	26 Å²	26	49.6 Å²	49.6	18%	0.182	26%	0.257	C	S	.	.			trans	-110.9	148.3	-174.9	72.1	0	0	0	0	113.1	L324 V373	L324-S377 WeakPolarHBondContact CD2-OG 3.3Å; V373-S377 WeakPolarHBondContact O-CB 3.4Å; V373-S377 PolarHBondContact O-N 3.38Å; V373-S377 PolarHBondContact O-OG 3.45Å
378	S	86.8	Confident	89.6	Confident	66 Å²	66	50.8 Å²	50.8	46%	0.462	26%	0.262	S	S	.	.			trans	-118.7	154.7	174.4	-71	0	0	0	0	109.9
379	F	89.4	Confident	89.7	Confident	8 Å²	8	54.6 Å²	54.6	4%	0.035	28%	0.281	C	S	.	.			trans	-71	144.4	174.9	-57.3	-63.7	0	0	0	111.1	I303 A306 L307 L324 N383 L436 V439 N440 L443	I303-F379 HydrophobicContact CG1-CE2 4.33Å; I303-F379 HydrophobicContact CG2-CE2 4.32Å; I303-F379 HydrophobicContact CG2-CZ 4.31Å; A306-F379 HydrophobicContact CB-CD1 3.73Å; A306-F379 HydrophobicContact CB-CE1 3.55Å; A306-F379 HydrophobicContact CB-CE2 4.35Å; A306-F379 HydrophobicContact CB-CG 4.23Å; A306-F379 HydrophobicContact CB-CZ 3.9Å; L307-F379 HydrophobicContact CD2-CE1 3.76Å; L307-F379 HydrophobicContact CD2-CZ 3.69Å; L307-F379 HydrophobicContact CG-CE1 4.11Å; L307-F379 HydrophobicContact CG-CZ 3.77Å; L324-F379 HydrophobicContact CD2-CE1 4.11Å; F379-N383 HydrophobicContact CB-CB 4.23Å; F379-N383 HydrophobicContact CD1-CB 4.33Å; F379-L436 HydrophobicContact CB-CD1 4.18Å; F379-V439 HydrophobicContact CD2-CG1 3.86Å; F379-V439 HydrophobicContact CE2-CG1 4.14Å; F379-N440 WeakPolarHBondContact CB-OD1 3.45Å; F379-N440 VanDerWaalsContact CD2-OD1 3.29Å; F379-N440 WeakPolarHBondContact CD2-OD1 3.29Å; F379-N440 PolarHBondContact N-OD1 3.02Å; F379-N440 PolarHBondContact O-ND2 3.3Å; F379-N440 VanDerWaalsContact O-ND2 3.13Å; F379-L443 HydrophobicContact CD2-CD2 4.48Å; F379-L443 HydrophobicContact CE2-CD2 3.71Å; F379-L443 HydrophobicContact CZ-CD2 3.95Å
380	T	90.7	Very high	89.6	Confident	71 Å²	71	52.1 Å²	52.1	44%	0.436	27%	0.273	S	S	.	.			trans	-86.6	164.5	168.1	59.6	0	0	0	0	110.7	E382 N383 L384 L436	T380-E382 PolarHBondContact O-N 3.37Å; T380-N383 PolarHBondContact O-N 3.49Å; T380-N383 PolarHBondContact OG1-N 3.29Å; T380-N383 PolarHBondContact OG1-ND2 3.34Å; T380-N383 PolarHBondContact OG1-OD1 3.19Å; T380-L384 PolarHBondContact O-N 3.28Å; T380-L436 WeakPolarHBondContact O-CD1 3.43Å
381	E	90.6	Very high	89.6	Confident	150 Å²	150	52.6 Å²	52.6	70%	0.701	28%	0.275	S	S	*	.	H	α-helix	trans	-57.8	-35	173.5	-65.3	-174.1	170.2	0	0	112.6	L384 R385 L436	E381-L384 PolarHBondContact O-N 3.36Å; E381-R385 WeakPolarHBondContact O-CB 3.46Å; E381-R385 PolarHBondContact O-N 2.97Å; E381-L436 HydrophobicContact CG-CD2 3.88Å
382	E	89.1	Confident	89.7	Confident	96 Å²	96	54.9 Å²	54.9	45%	0.449	29%	0.286	S	S	.	.	H	α-helix	trans	-66.7	-42.5	176.6	-178.5	58.9	-172.5	0	0	112.1	T380 L384 R385 Q386	T380-E382 PolarHBondContact O-N 3.37Å; E382-L384 VanDerWaalsContact C-N 3.29Å; E382-L384 PolarHBondContact O-N 2.71Å; E382-R385 PolarHBondContact O-N 3.5Å; E382-R385 IonicContact OE1-CZ 3.66Å; E382-R385 IonicContact OE1-NE 2.68Å; E382-R385 IonicContact OE1-NH2 3.89Å; E382-R385 PolarHBondContact OE1-NH2 2.78Å; E382-R385 IonicContact OE2-CZ 3.2Å; E382-R385 IonicContact OE2-NE 3.87Å; E382-R385 PolarHBondContact OE2-NE 3.31Å; E382-R385 IonicContact OE2-NH2 2.71Å; E382-R385 PolarHBondContact OE2-NH2 2.87Å; E382-Q386 PolarHBondContact O-N 2.8Å
383	N	87.7	Confident	89.7	Confident	48 Å²	48	53.9 Å²	53.9	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-60.9	-41.3	174.3	-67	-6.6	0	0	0	110.6	F379 T380 A387	F379-N383 HydrophobicContact CB-CB 4.23Å; F379-N383 HydrophobicContact CD1-CB 4.33Å; T380-N383 PolarHBondContact O-N 3.49Å; T380-N383 PolarHBondContact OG1-N 3.29Å; T380-N383 PolarHBondContact OG1-ND2 3.34Å; T380-N383 PolarHBondContact OG1-OD1 3.19Å; N383-A387 WeakPolarHBondContact O-CB 3.37Å; N383-A387 PolarHBondContact O-N 3.05Å
384	L	91.1	Very high	89.7	Confident	14 Å²	14	54.1 Å²	54.1	7%	0.073	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-42	175.9	-179.7	65.3	0	0	0	112.1	L302 T380 E381 E382 A387 K388 L436 V439	L302-L384 HydrophobicContact CD1-CD1 4.5Å; T380-L384 PolarHBondContact O-N 3.28Å; E381-L384 PolarHBondContact O-N 3.36Å; E382-L384 VanDerWaalsContact C-N 3.29Å; E382-L384 PolarHBondContact O-N 2.71Å; L384-A387 PolarHBondContact O-N 2.73Å; L384-K388 HydrophobicContact CD1-CG 4.36Å; L384-K388 HydrophobicContact CG-CD 4.38Å; L384-K388 HydrophobicContact CG-CG 4.49Å; L384-K388 WeakPolarHBondContact O-CB 3.41Å; L384-K388 WeakPolarHBondContact O-CG 3.33Å; L384-K388 PolarHBondContact O-N 3.32Å; L384-L436 HydrophobicContact CB-CD1 3.77Å; L384-L436 HydrophobicContact CD2-CB 3.92Å; L384-L436 HydrophobicContact CD2-CD1 3.91Å; L384-L436 HydrophobicContact CG-CD1 4.41Å; L384-V439 HydrophobicContact CD1-CG2 4.03Å
385	R	91.3	Very high	89.6	Confident	137 Å²	137	55 Å²	55	52%	0.517	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-47.9	177.5	-172.2	177.4	73.2	125.1	5	110.8	E381 E382 K388 Q389	E381-R385 WeakPolarHBondContact O-CB 3.46Å; E381-R385 PolarHBondContact O-N 2.97Å; E382-R385 PolarHBondContact O-N 3.5Å; E382-R385 IonicContact OE1-CZ 3.66Å; E382-R385 IonicContact OE1-NE 2.68Å; E382-R385 IonicContact OE1-NH2 3.89Å; E382-R385 PolarHBondContact OE1-NH2 2.78Å; E382-R385 IonicContact OE2-CZ 3.2Å; E382-R385 IonicContact OE2-NE 3.87Å; E382-R385 PolarHBondContact OE2-NE 3.31Å; E382-R385 IonicContact OE2-NH2 2.71Å; E382-R385 PolarHBondContact OE2-NH2 2.87Å; R385-K388 PolarHBondContact O-N 2.89Å; R385-Q389 WeakPolarHBondContact O-CG 3.38Å; R385-Q389 PolarHBondContact O-N 3.19Å; R385-Q389 VanDerWaalsContact O-N 3.13Å
386	Q	89.3	Confident	89.6	Confident	72 Å²	72	58.2 Å²	58.2	34%	0.336	30%	0.303	S	S	.	.	H	α-helix	trans	-62.5	-43.4	174.6	-170.6	-179.3	15.5	0	0	111.4	E382 Q389 T390	E382-Q386 PolarHBondContact O-N 2.8Å; Q386-Q389 PolarHBondContact O-N 3.44Å; Q386-T390 WeakPolarHBondContact O-CB 3.41Å; Q386-T390 PolarHBondContact O-N 3Å; Q386-T390 PolarHBondContact O-OG1 2.65Å
387	A	90.4	Very high	89.7	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.008	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-40.2	178.4	0	0	0	0	0	112.8	L302 C305 A306 N383 L384 T390 L391	L302-A387 HydrophobicContact CD2-CB 4.39Å; C305-A387 HydrophobicContact CB-CB 4Å; A306-A387 HydrophobicContact CB-CB 3.81Å; N383-A387 WeakPolarHBondContact O-CB 3.37Å; N383-A387 PolarHBondContact O-N 3.05Å; L384-A387 PolarHBondContact O-N 2.73Å; A387-T390 WeakPolarHBondContact O-CB 3.3Å; A387-T390 PolarHBondContact O-N 2.88Å; A387-L391 WeakPolarHBondContact O-CB 3.48Å; A387-L391 PolarHBondContact O-N 2.93Å
388	K	92.8	Very high	89.8	Confident	32 Å²	32	64.5 Å²	64.5	14%	0.139	31%	0.313	C	S	.	.	H	α-helix	trans	-60.5	-49.4	173.6	-76.1	-179.6	-178.8	-176.2	0	110.8	L302 L384 R385 T390 L391 K392 L431 D432 V434	L302-K388 HydrophobicContact CD2-CB 4.33Å; L302-K388 HydrophobicContact CD2-CG 3.74Å; L384-K388 HydrophobicContact CD1-CG 4.36Å; L384-K388 HydrophobicContact CG-CD 4.38Å; L384-K388 HydrophobicContact CG-CG 4.49Å; L384-K388 WeakPolarHBondContact O-CB 3.41Å; L384-K388 WeakPolarHBondContact O-CG 3.33Å; L384-K388 PolarHBondContact O-N 3.32Å; R385-K388 PolarHBondContact O-N 2.89Å; K388-T390 PolarHBondContact O-N 2.8Å; K388-L391 PolarHBondContact O-N 3.46Å; K388-K392 VanDerWaalsContact O-CB 3.32Å; K388-K392 WeakPolarHBondContact O-CB 3.45Å; K388-K392 WeakPolarHBondContact O-CG 3.48Å; K388-K392 PolarHBondContact O-N 3.14Å; K388-L431 WeakPolarHBondContact CE-O 3.26Å; K388-D432 PolarHBondContact NZ-O 3.22Å; K388-V434 VanDerWaalsContact CE-O 3.26Å; K388-V434 WeakPolarHBondContact CE-O 3.48Å; K388-V434 PolarHBondContact NZ-O 3.14Å
389	Q	91	Very high	89.7	Confident	119 Å²	119	63.4 Å²	63.4	56%	0.556	30%	0.298	S	S	*	.	H	α-helix	trans	-61.1	-43.4	176.9	-69.5	174.9	-11.2	0	0	112.3	R385 Q386 K392 A393	R385-Q389 WeakPolarHBondContact O-CG 3.38Å; R385-Q389 PolarHBondContact O-N 3.19Å; R385-Q389 VanDerWaalsContact O-N 3.13Å; Q386-Q389 PolarHBondContact O-N 3.44Å; Q389-K392 PolarHBondContact O-N 3.08Å; Q389-A393 PolarHBondContact O-N 3.25Å
390	T	89.4	Confident	89.5	Confident	16 Å²	16	69.2 Å²	69.2	10%	0.098	33%	0.326	C	S	.	.	H	α-helix	trans	-58.2	-53.6	177.3	-65.6	0	0	0	0	110.9	C305 R313 Q386 A387 K388 A393 D394	C305-T390 HydrophobicContact CB-CG2 3.74Å; R313-T390 VanDerWaalsContact NH2-C 3.33Å; R313-T390 PolarHBondContact NH2-O 3.41Å; Q386-T390 WeakPolarHBondContact O-CB 3.41Å; Q386-T390 PolarHBondContact O-N 3Å; Q386-T390 PolarHBondContact O-OG1 2.65Å; A387-T390 WeakPolarHBondContact O-CB 3.3Å; A387-T390 PolarHBondContact O-N 2.88Å; K388-T390 PolarHBondContact O-N 2.8Å; T390-A393 PolarHBondContact O-N 3.11Å; T390-D394 PolarHBondContact O-N 2.98Å; T390-D394 VanDerWaalsContact O-N 3.11Å
391	L	91.1	Very high	89.2	Confident	13 Å²	13	67.6 Å²	67.6	7%	0.068	31%	0.314	C	S	.	.	H	α-helix	trans	-67	-39.2	-179.9	-175.1	61.1	0	0	0	112.4	L302 A387 K388 A393 D394 L395 L431	L302-L391 HydrophobicContact CD2-CB 4.26Å; L302-L391 HydrophobicContact CD2-CD2 3.77Å; L302-L391 HydrophobicContact CG-CD2 3.78Å; A387-L391 WeakPolarHBondContact O-CB 3.48Å; A387-L391 PolarHBondContact O-N 2.93Å; K388-L391 PolarHBondContact O-N 3.46Å; L391-A393 PolarHBondContact O-N 3.19Å; L391-D394 PolarHBondContact O-N 2.85Å; L391-L395 HydrophobicContact CD1-CG 4.44Å; L391-L395 HydrophobicContact CG-CD1 4.32Å; L391-L395 WeakPolarHBondContact O-CG 3.41Å; L391-L395 PolarHBondContact O-N 2.97Å; L391-L431 HydrophobicContact CB-CD1 4.15Å; L391-L431 HydrophobicContact CD2-CD1 3.8Å; L391-L431 HydrophobicContact CD2-CD2 3.73Å; L391-L431 HydrophobicContact CD2-CG 4.43Å; L391-L431 HydrophobicContact CG-CD1 3.81Å
392	K	92	Very high	88.9	Confident	50 Å²	50	61 Å²	61	22%	0.217	28%	0.284	C	S	.	.	H	α-helix	trans	-57.3	-48	173.8	-78.2	-179.7	168.5	-175.1	0	111.7	K388 Q389 D394 L395 M396 V428 L431 D432	K388-K392 VanDerWaalsContact O-CB 3.32Å; K388-K392 WeakPolarHBondContact O-CB 3.45Å; K388-K392 WeakPolarHBondContact O-CG 3.48Å; K388-K392 PolarHBondContact O-N 3.14Å; Q389-K392 PolarHBondContact O-N 3.08Å; K392-D394 PolarHBondContact O-N 3.14Å; K392-L395 PolarHBondContact O-N 2.96Å; K392-M396 WeakPolarHBondContact O-CB 3.37Å; K392-M396 WeakPolarHBondContact O-CG 3.35Å; K392-M396 PolarHBondContact O-N 3.32Å; K392-V428 HydrophobicContact CD-CG1 4.33Å; K392-V428 WeakPolarHBondContact CE-O 3.33Å; K392-V428 HydrophobicContact CG-CG1 4.14Å; K392-L431 HydrophobicContact CG-CD1 3.7Å; K392-D432 WeakPolarHBondContact CE-OD1 3.35Å; K392-D432 IonicContact NZ-OD1 2.89Å; K392-D432 PolarHBondContact NZ-OD1 2.91Å; K392-D432 IonicContact NZ-OD2 2.69Å; K392-D432 PolarHBondContact NZ-OD2 2.99Å
393	A	90.3	Very high	88.7	Confident	36 Å²	36	57.3 Å²	57.3	30%	0.298	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-45.7	176.5	0	0	0	0	0	111.4	Q389 T390 L391 L395 M396 F397	Q389-A393 PolarHBondContact O-N 3.25Å; T390-A393 PolarHBondContact O-N 3.11Å; L391-A393 PolarHBondContact O-N 3.19Å; A393-L395 PolarHBondContact O-N 2.89Å; A393-M396 PolarHBondContact O-N 3.08Å; A393-F397 HydrophobicContact CB-CD2 4.38Å; A393-F397 HydrophobicContact CB-CE2 4.15Å; A393-F397 WeakPolarHBondContact O-CD2 3.46Å; A393-F397 WeakPolarHBondContact O-CG 3.43Å; A393-F397 PolarHBondContact O-N 2.67Å
394	D	88.8	Confident	88.7	Confident	44 Å²	44	60.7 Å²	60.7	24%	0.235	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-38.1	180	-71.9	-21.8	0	0	0	113.4	R313 T390 L391 K392 R398	R313-D394 IonicContact CZ-OD1 3.88Å; R313-D394 IonicContact CZ-OD2 3.41Å; R313-D394 IonicContact NH1-OD1 2.73Å; R313-D394 PolarHBondContact NH1-OD1 3.05Å; R313-D394 IonicContact NH1-OD2 2.6Å; R313-D394 IonicContact NH2-OD1 2.68Å; R313-D394 PolarHBondContact NH2-OD1 3.49Å; R313-D394 IonicContact NH2-OD2 3.7Å; R313-D394 PolarHBondContact NH2-OD2 2.91Å; T390-D394 PolarHBondContact O-N 2.98Å; T390-D394 VanDerWaalsContact O-N 3.11Å; L391-D394 PolarHBondContact O-N 2.85Å; K392-D394 PolarHBondContact O-N 3.14Å; D394-R398 VanDerWaalsContact O-CG 3.24Å; D394-R398 WeakPolarHBondContact O-CG 3.45Å; D394-R398 PolarHBondContact O-N 2.9Å; D394-R398 VanDerWaalsContact O-N 3.11Å
395	L	89.3	Confident	88.5	Confident	19 Å²	19	60.5 Å²	60.5	10%	0.099	28%	0.278	C	S	.	.	H	α-helix	trans	-65.6	-47	173.9	-70.8	175.6	0	0	0	111.1	L391 K392 A393 F397 R398 Y399 V427 V428 L431	L391-L395 HydrophobicContact CD1-CG 4.44Å; L391-L395 HydrophobicContact CG-CD1 4.32Å; L391-L395 WeakPolarHBondContact O-CG 3.41Å; L391-L395 PolarHBondContact O-N 2.97Å; K392-L395 PolarHBondContact O-N 2.96Å; A393-L395 PolarHBondContact O-N 2.89Å; L395-F397 PolarHBondContact O-N 2.89Å; L395-R398 WeakPolarHBondContact O-CB 3.48Å; L395-R398 PolarHBondContact O-N 2.8Å; L395-R398 VanDerWaalsContact O-N 3.12Å; L395-Y399 HydrophobicContact CB-CD2 4.28Å; L395-Y399 HydrophobicContact CB-CE2 4.01Å; L395-Y399 HydrophobicContact CD2-CE2 4.35Å; L395-Y399 WeakPolarHBondContact O-CD2 3.33Å; L395-Y399 PolarHBondContact O-N 2.8Å; L395-V427 HydrophobicContact CD1-CG1 4.02Å; L395-V428 HydrophobicContact CB-CG2 4.27Å; L395-V428 HydrophobicContact CD1-CG2 4.29Å; L395-L431 HydrophobicContact CD1-CD1 3.85Å
396	M	89.4	Confident	88.4	Confident	109 Å²	109	54 Å²	54	54%	0.537	25%	0.253	S	S	.	.	H	α-helix	trans	-62.8	-41.8	179.8	-65	-69.3	-102.4	0	0	112	K392 A393 R398 Y399 E400 V428	K392-M396 WeakPolarHBondContact O-CB 3.37Å; K392-M396 WeakPolarHBondContact O-CG 3.35Å; K392-M396 PolarHBondContact O-N 3.32Å; A393-M396 PolarHBondContact O-N 3.08Å; M396-R398 VanDerWaalsContact C-N 3.32Å; M396-R398 PolarHBondContact O-N 3.26Å; M396-Y399 PolarHBondContact O-N 2.81Å; M396-E400 PolarHBondContact O-N 3.3Å; M396-V428 HydrophobicContact CG-CG2 4.38Å; M396-V428 HydrophobicContact SD-CG2 4.09Å
397	F	88.3	Confident	88.4	Confident	136 Å²	136	51.4 Å²	51.4	60%	0.596	24%	0.242	S	C	*	.	H	α-helix	trans	-65.1	-30.1	173.6	-72.3	-52.9	0	0	0	113.5	A393 L395	A393-F397 HydrophobicContact CB-CD2 4.38Å; A393-F397 HydrophobicContact CB-CE2 4.15Å; A393-F397 WeakPolarHBondContact O-CD2 3.46Å; A393-F397 WeakPolarHBondContact O-CG 3.43Å; A393-F397 PolarHBondContact O-N 2.67Å; L395-F397 PolarHBondContact O-N 2.89Å
398	R	86.4	Confident	88.2	Confident	118 Å²	118	53.8 Å²	53.8	45%	0.445	26%	0.255	S	S	.	.	H	α-helix	trans	-69.8	-48.4	171.1	-71.2	169.2	-161	179.2	6.9	110.7	D394 L395 M396 E400 N401 Y404	D394-R398 VanDerWaalsContact O-CG 3.24Å; D394-R398 WeakPolarHBondContact O-CG 3.45Å; D394-R398 PolarHBondContact O-N 2.9Å; D394-R398 VanDerWaalsContact O-N 3.11Å; L395-R398 WeakPolarHBondContact O-CB 3.48Å; L395-R398 PolarHBondContact O-N 2.8Å; L395-R398 VanDerWaalsContact O-N 3.12Å; M396-R398 VanDerWaalsContact C-N 3.32Å; M396-R398 PolarHBondContact O-N 3.26Å; R398-E400 PolarHBondContact O-N 2.9Å; R398-N401 PolarHBondContact O-N 2.63Å; R398-N401 VanDerWaalsContact O-N 3.09Å; R398-Y404 WeakPolarHBondContact O-CD2 3.45Å
399	Y	86.2	Confident	88	Confident	42 Å²	42	52.5 Å²	52.5	17%	0.165	25%	0.249	C	C	.	.	H	α-helix	trans	-69.2	-14.7	-177.3	-63.1	-48.8	0	0	0	114.2	L395 M396 N401 S405 D408 P424	L395-Y399 HydrophobicContact CB-CD2 4.28Å; L395-Y399 HydrophobicContact CB-CE2 4.01Å; L395-Y399 HydrophobicContact CD2-CE2 4.35Å; L395-Y399 WeakPolarHBondContact O-CD2 3.33Å; L395-Y399 PolarHBondContact O-N 2.8Å; M396-Y399 PolarHBondContact O-N 2.81Å; Y399-N401 PolarHBondContact O-N 2.68Å; Y399-S405 WeakPolarHBondContact CD1-OG 3.37Å; Y399-S405 PolarHBondContact O-OG 3.01Å; Y399-D408 WeakPolarHBondContact CE1-OD2 3.37Å; Y399-P424 HydrophobicContact CD1-CB 4.18Å; Y399-P424 HydrophobicContact CD1-CG 3.96Å; Y399-P424 HydrophobicContact CD2-CB 3.55Å; Y399-P424 HydrophobicContact CD2-CG 4.25Å; Y399-P424 HydrophobicContact CE1-CB 4.34Å; Y399-P424 HydrophobicContact CE1-CG 4.08Å; Y399-P424 HydrophobicContact CE2-CB 3.69Å; Y399-P424 HydrophobicContact CE2-CG 4.32Å; Y399-P424 HydrophobicContact CG-CB 3.8Å; Y399-P424 HydrophobicContact CG-CG 4.05Å
400	E	84.6	Confident	87.9	Confident	130 Å²	130	46.9 Å²	46.9	61%	0.607	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-33.1	166.8	-169.8	-178.3	175.5	0	0	112.4	M396 R398 P402	M396-E400 PolarHBondContact O-N 3.3Å; R398-E400 PolarHBondContact O-N 2.9Å; E400-P402 WeakPolarHBondContact O-CD 3.47Å
401	N	84.6	Confident	87.9	Confident	37 Å²	37	47.2 Å²	47.2	20%	0.198	23%	0.225	C	C	.	.	S	Bend	trans	-91.9	110.9	170.1	176.5	6.6	0	0	0	110.1	R57 R398 Y399 L403 Y404	R57-N401 PolarHBondContact NH1-OD1 3.16Å; R57-N401 VanDerWaalsContact NH1-OD1 3.12Å; R398-N401 PolarHBondContact O-N 2.63Å; R398-N401 VanDerWaalsContact O-N 3.09Å; Y399-N401 PolarHBondContact O-N 2.68Å; N401-L403 PolarHBondContact O-N 3.22Å; N401-L403 WeakPolarHBondContact OD1-CB 3.29Å; N401-L403 PolarHBondContact OD1-N 3.29Å; N401-L403 VanDerWaalsContact OD1-N 3.16Å; N401-Y404 HydrophobicContact CB-CD2 3.75Å; N401-Y404 HydrophobicContact CB-CE2 4.11Å; N401-Y404 WeakPolarHBondContact ND2-CE2 3.43Å; N401-Y404 PolarHBondContact O-N 3.37Å
402	P	83.3	Confident	87.7	Confident	11 Å²	11	50 Å²	50	7%	0.071	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-15.8	-174.2	26.8	-36.1	0	0	0	113.8	L46 I235 E400 L406	L46-P402 HydrophobicContact CD2-CB 4.18Å; I235-P402 HydrophobicContact CD1-CB 4.02Å; I235-P402 HydrophobicContact CD1-CG 4.46Å; I235-P402 WeakPolarHBondContact CD1-O 3.27Å; I235-P402 HydrophobicContact CG1-CB 4.28Å; I235-P402 HydrophobicContact CG2-CB 4.06Å; I235-P402 HydrophobicContact CG2-CG 4.23Å; E400-P402 WeakPolarHBondContact O-CD 3.47Å; P402-L406 WeakPolarHBondContact O-CB 3.25Å; P402-L406 PolarHBondContact O-N 2.98Å
403	L	85.4	Confident	87.4	Confident	19 Å²	19	48.1 Å²	48.1	10%	0.099	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-39.3	171.3	176.3	59.6	0	0	0	112.1	A59 T127 N401 L406 V407	A59-L403 HydrophobicContact CB-CD1 4.39Å; T127-L403 HydrophobicContact CG2-CD1 3.68Å; T127-L403 HydrophobicContact CG2-CD2 4.36Å; N401-L403 PolarHBondContact O-N 3.22Å; N401-L403 WeakPolarHBondContact OD1-CB 3.29Å; N401-L403 PolarHBondContact OD1-N 3.29Å; N401-L403 VanDerWaalsContact OD1-N 3.16Å; L403-L406 PolarHBondContact O-N 2.89Å; L403-V407 HydrophobicContact CD1-CG2 3.76Å; L403-V407 HydrophobicContact CG-CG2 4.3Å; L403-V407 WeakPolarHBondContact O-CB 3.2Å; L403-V407 VanDerWaalsContact O-CG2 3.29Å; L403-V407 WeakPolarHBondContact O-CG2 3.46Å; L403-V407 PolarHBondContact O-N 3.42Å
404	Y	87.9	Confident	87.3	Confident	120 Å²	120	46.7 Å²	46.7	47%	0.471	22%	0.22	S	C	.	.	H	α-helix	trans	-67.2	-44.8	178.4	-65.9	-51.4	0	0	0	110	R398 N401 L406 V407 D408	R398-Y404 WeakPolarHBondContact O-CD2 3.45Å; N401-Y404 HydrophobicContact CB-CD2 3.75Å; N401-Y404 HydrophobicContact CB-CE2 4.11Å; N401-Y404 WeakPolarHBondContact ND2-CE2 3.43Å; N401-Y404 PolarHBondContact O-N 3.37Å; Y404-L406 VanDerWaalsContact C-N 3.33Å; Y404-L406 PolarHBondContact O-N 3.38Å; Y404-V407 PolarHBondContact O-N 3.13Å; Y404-D408 WeakPolarHBondContact O-CB 3.35Å; Y404-D408 PolarHBondContact O-N 2.98Å
405	S	86.8	Confident	86.9	Confident	10 Å²	10	45.4 Å²	45.4	7%	0.07	21%	0.214	C	C	.	.	H	α-helix	trans	-53.4	-47	172.1	-48.1	0	0	0	0	112.6	Y399 I409	Y399-S405 WeakPolarHBondContact CD1-OG 3.37Å; Y399-S405 PolarHBondContact O-OG 3.01Å; S405-I409 WeakPolarHBondContact O-CB 3.33Å; S405-I409 VanDerWaalsContact O-CD1 3.3Å; S405-I409 WeakPolarHBondContact O-CD1 3.45Å; S405-I409 WeakPolarHBondContact O-CG1 3.36Å; S405-I409 PolarHBondContact O-N 3.27Å; S405-I409 VanDerWaalsContact O-N 3.08Å
406	L	88.4	Confident	85.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.3	-42.1	179.3	-173.9	68.6	0	0	0	112.8	V44 A59 I235 P402 L403 Y404 S410	V44-L406 HydrophobicContact CB-CD1 4.18Å; V44-L406 HydrophobicContact CG1-CD1 3.83Å; A59-L406 HydrophobicContact CB-CD2 3.67Å; I235-L406 HydrophobicContact CD1-CB 3.84Å; I235-L406 HydrophobicContact CD1-CD2 3.67Å; I235-L406 HydrophobicContact CD1-CG 4.31Å; I235-L406 HydrophobicContact CG1-CB 4.17Å; I235-L406 HydrophobicContact CG1-CD1 4.47Å; I235-L406 HydrophobicContact CG1-CD2 3.93Å; I235-L406 HydrophobicContact CG1-CG 4.42Å; P402-L406 WeakPolarHBondContact O-CB 3.25Å; P402-L406 PolarHBondContact O-N 2.98Å; L403-L406 PolarHBondContact O-N 2.89Å; Y404-L406 VanDerWaalsContact C-N 3.33Å; Y404-L406 PolarHBondContact O-N 3.38Å; L406-S410 VanDerWaalsContact O-CB 3.24Å; L406-S410 WeakPolarHBondContact O-CB 3Å; L406-S410 PolarHBondContact O-N 3.23Å; L406-S410 PolarHBondContact O-OG 2.81Å
407	V	89.5	Confident	83.9	Confident	17 Å²	17	49.4 Å²	49.4	10%	0.103	26%	0.255	C	S	.	.	H	α-helix	trans	-67.9	-47.3	178.7	168.5	0	0	0	0	110.4	I125 L403 Y404 I409 S410 T411	I125-V407 HydrophobicContact CD1-CG1 3.78Å; I125-V407 HydrophobicContact CG2-CG2 3.95Å; L403-V407 HydrophobicContact CD1-CG2 3.76Å; L403-V407 HydrophobicContact CG-CG2 4.3Å; L403-V407 WeakPolarHBondContact O-CB 3.2Å; L403-V407 VanDerWaalsContact O-CG2 3.29Å; L403-V407 WeakPolarHBondContact O-CG2 3.46Å; L403-V407 PolarHBondContact O-N 3.42Å; Y404-V407 PolarHBondContact O-N 3.13Å; V407-I409 PolarHBondContact O-N 3.44Å; V407-S410 CarbonylContact O-C 3.53Å; V407-S410 WeakPolarHBondContact O-CA 3.26Å; V407-S410 WeakPolarHBondContact O-CB 3.46Å; V407-S410 PolarHBondContact O-N 3.35Å; V407-T411 HydrophobicContact CG1-CG2 4.27Å; V407-T411 PolarHBondContact O-N 3.1Å; V407-T411 PolarHBondContact O-OG1 3.15Å
408	D	87.4	Confident	82.3	Confident	51 Å²	51	45.7 Å²	45.7	27%	0.273	24%	0.243	S	C	.	.	H	α-helix	trans	-60.7	-45.1	-179.7	-69.9	-6.6	0	0	0	111.3	Y399 Y404 S410 T411 N412	Y399-D408 WeakPolarHBondContact CE1-OD2 3.37Å; Y404-D408 WeakPolarHBondContact O-CB 3.35Å; Y404-D408 PolarHBondContact O-N 2.98Å; D408-S410 VanDerWaalsContact C-N 3.3Å; D408-S410 PolarHBondContact O-N 2.93Å; D408-T411 WeakPolarHBondContact CA-OG1 3.13Å; D408-T411 PolarHBondContact O-N 2.87Å; D408-T411 PolarHBondContact O-OG1 3.5Å; D408-T411 VanDerWaalsContact O-OG1 3.1Å; D408-N412 VanDerWaalsContact O-CB 3.3Å; D408-N412 WeakPolarHBondContact O-CB 3.35Å; D408-N412 PolarHBondContact O-N 2.98Å; D408-N412 PolarHBondContact O-ND2 3.36Å; D408-N412 VanDerWaalsContact O-ND2 3.13Å
409	I	87.8	Confident	80.7	Confident	6 Å²	6	48 Å²	48	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-44.6	173.8	-68.7	164.2	0	0	0	109.9	V32 V44 S405 V407 N412 L413 F421	V32-I409 HydrophobicContact CG1-CD1 4.17Å; V44-I409 HydrophobicContact CG1-CG2 3.79Å; V44-I409 HydrophobicContact CG2-CG2 4.17Å; S405-I409 WeakPolarHBondContact O-CB 3.33Å; S405-I409 VanDerWaalsContact O-CD1 3.3Å; S405-I409 WeakPolarHBondContact O-CD1 3.45Å; S405-I409 WeakPolarHBondContact O-CG1 3.36Å; S405-I409 PolarHBondContact O-N 3.27Å; S405-I409 VanDerWaalsContact O-N 3.08Å; V407-I409 PolarHBondContact O-N 3.44Å; I409-N412 PolarHBondContact O-N 2.89Å; I409-L413 HydrophobicContact CG2-CD1 3.75Å; I409-L413 HydrophobicContact CG2-CG 4.36Å; I409-L413 WeakPolarHBondContact O-CB 3.28Å; I409-L413 WeakPolarHBondContact O-CG 3.39Å; I409-L413 PolarHBondContact O-N 2.89Å; I409-F421 HydrophobicContact CG2-CB 4.08Å; I409-F421 HydrophobicContact CG2-CG 4.49Å
410	S	89.9	Confident	79.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.9	-40.1	-178.7	-60.3	0	0	0	0	112.9	L406 V407 D408 L414	L406-S410 VanDerWaalsContact O-CB 3.24Å; L406-S410 WeakPolarHBondContact O-CB 3Å; L406-S410 PolarHBondContact O-N 3.23Å; L406-S410 PolarHBondContact O-OG 2.81Å; V407-S410 CarbonylContact O-C 3.53Å; V407-S410 WeakPolarHBondContact O-CA 3.26Å; V407-S410 WeakPolarHBondContact O-CB 3.46Å; V407-S410 PolarHBondContact O-N 3.35Å; D408-S410 VanDerWaalsContact C-N 3.3Å; D408-S410 PolarHBondContact O-N 2.93Å; S410-L414 WeakPolarHBondContact O-CB 3.36Å; S410-L414 VanDerWaalsContact O-CG 3.25Å; S410-L414 WeakPolarHBondContact O-CG 3.37Å; S410-L414 PolarHBondContact O-N 3.42Å; S410-L414 VanDerWaalsContact O-N 3.07Å
411	T	87.9	Confident	78.9	Confident	24 Å²	24	49 Å²	49	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-71.5	-39.4	176.5	50.6	0	0	0	0	111.9	V61 V407 D408 L414 S415	V61-T411 HydrophobicContact CG1-CG2 4.14Å; V407-T411 HydrophobicContact CG1-CG2 4.27Å; V407-T411 PolarHBondContact O-N 3.1Å; V407-T411 PolarHBondContact O-OG1 3.15Å; D408-T411 WeakPolarHBondContact CA-OG1 3.13Å; D408-T411 PolarHBondContact O-N 2.87Å; D408-T411 PolarHBondContact O-OG1 3.5Å; D408-T411 VanDerWaalsContact O-OG1 3.1Å; T411-L414 PolarHBondContact O-N 3.01Å; T411-L414 VanDerWaalsContact O-N 3.17Å; T411-S415 PolarHBondContact O-N 3.26Å; T411-S415 VanDerWaalsContact O-N 3.09Å
412	N	86.6	Confident	78.3	Confident	70 Å²	70	51.8 Å²	51.8	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-47.4	174.2	-70.1	-21	0	0	0	110.6	D408 I409 L414 S415	D408-N412 VanDerWaalsContact O-CB 3.3Å; D408-N412 WeakPolarHBondContact O-CB 3.35Å; D408-N412 PolarHBondContact O-N 2.98Å; D408-N412 PolarHBondContact O-ND2 3.36Å; D408-N412 VanDerWaalsContact O-ND2 3.13Å; I409-N412 PolarHBondContact O-N 2.89Å; N412-L414 PolarHBondContact O-N 3.4Å; N412-S415 WeakPolarHBondContact O-CB 3.22Å; N412-S415 PolarHBondContact O-N 3.35Å; N412-S415 PolarHBondContact O-OG 3.24Å
413	L	87.4	Confident	78	Confident	12 Å²	12	54 Å²	54	6%	0.063	29%	0.292	C	S	.	.	H	α-helix	trans	-62.1	-27.9	175.3	-73.4	171.2	0	0	0	113.3	V34 K42 V44 I409 F421	V34-L413 HydrophobicContact CG1-CD1 3.63Å; V34-L413 HydrophobicContact CG1-CD2 4.02Å; V34-L413 HydrophobicContact CG2-CD1 4.07Å; K42-L413 HydrophobicContact CD-CB 4.17Å; K42-L413 VanDerWaalsContact CD-O 3.28Å; K42-L413 WeakPolarHBondContact CD-O 3.42Å; K42-L413 WeakPolarHBondContact CE-O 3.28Å; K42-L413 PolarHBondContact NZ-O 2.89Å; V44-L413 HydrophobicContact CG2-CD1 3.51Å; I409-L413 HydrophobicContact CG2-CD1 3.75Å; I409-L413 HydrophobicContact CG2-CG 4.36Å; I409-L413 WeakPolarHBondContact O-CB 3.28Å; I409-L413 WeakPolarHBondContact O-CG 3.39Å; I409-L413 PolarHBondContact O-N 2.89Å; L413-F421 HydrophobicContact CD2-CB 4.46Å
414	L	87.6	Confident	77.6	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-82.7	-12.2	175	-73.2	173	0	0	0	113.8	K42 V61 E228 A231 S410 T411 N412	K42-L414 HydrophobicContact CD-CD2 4.47Å; V61-L414 HydrophobicContact CB-CD1 4.18Å; V61-L414 HydrophobicContact CG1-CD1 3.71Å; E228-L414 WeakPolarHBondContact O-CD2 3.4Å; A231-L414 HydrophobicContact CB-CD1 3.91Å; A231-L414 HydrophobicContact CB-CD2 4.21Å; A231-L414 HydrophobicContact CB-CG 3.92Å; S410-L414 WeakPolarHBondContact O-CB 3.36Å; S410-L414 VanDerWaalsContact O-CG 3.25Å; S410-L414 WeakPolarHBondContact O-CG 3.37Å; S410-L414 PolarHBondContact O-N 3.42Å; S410-L414 VanDerWaalsContact O-N 3.07Å; T411-L414 PolarHBondContact O-N 3.01Å; T411-L414 VanDerWaalsContact O-N 3.17Å; N412-L414 PolarHBondContact O-N 3.4Å
415	S	81.3	Confident	77.4	Confident	17 Å²	17	54.7 Å²	54.7	12%	0.119	31%	0.305	C	S	.	.	S	Bend	trans	-78.6	127.4	169.7	76.2	0	0	0	0	109.8	T411 N412 S417	T411-S415 PolarHBondContact O-N 3.26Å; T411-S415 VanDerWaalsContact O-N 3.09Å; N412-S415 WeakPolarHBondContact O-CB 3.22Å; N412-S415 PolarHBondContact O-N 3.35Å; N412-S415 PolarHBondContact O-OG 3.24Å; S415-S417 PolarHBondContact O-N 2.91Å
416	S	62.6	Low	77.3	Confident	111 Å²	111	58.3 Å²	58.3	78%	0.776	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-0.1	-169.3	-52.2	0	0	0	0	115.4
417	S	53.1	Low	77.1	Confident	102 Å²	102	59.6 Å²	59.6	71%	0.713	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-5.2	-172.4	51.9	0	0	0	0	114.5	S415	S415-S417 PolarHBondContact O-N 2.91Å
418	V	53.3	Low	77	Confident	57 Å²	57	59.8 Å²	59.8	35%	0.345	33%	0.33	S	S	.	.			trans	-140.6	99.4	-174.4	-141.4	0	0	0	0	112.6	Q420	V418-Q420 HydrophobicContact CG1-CB 4.16Å; V418-Q420 WeakPolarHBondContact CG1-O 3.38Å; V418-Q420 PolarHBondContact O-N 3.08Å
419	D	54.1	Low	77	Confident	166 Å²	166	59.6 Å²	59.6	89%	0.888	34%	0.336	S	S	*	.	S	Bend	trans	-71.2	-2.2	165.8	-67	-42.3	0	0	0	112.8
420	Q	62.7	Low	77	Confident	146 Å²	146	60.6 Å²	60.6	68%	0.682	35%	0.347	S	S	*	.	S	Bend	trans	-111.5	127.8	178	-62	178.9	0.5	0	0	109.9	V418	V418-Q420 HydrophobicContact CG1-CB 4.16Å; V418-Q420 WeakPolarHBondContact CG1-O 3.38Å; V418-Q420 PolarHBondContact O-N 3.08Å
421	F	69.8	Low	77	Confident	49 Å²	49	60.7 Å²	60.7	22%	0.215	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-83.2	136.3	163.4	66.3	-83.8	0	0	0	108.7	V32 V34 I409 L413 K423	V32-F421 HydrophobicContact CB-CE2 3.79Å; V32-F421 HydrophobicContact CB-CZ 3.99Å; V32-F421 HydrophobicContact CG1-CE2 4.15Å; V32-F421 HydrophobicContact CG1-CZ 4.36Å; V32-F421 HydrophobicContact CG2-CE2 4.29Å; V34-F421 HydrophobicContact CB-CD1 4.23Å; V34-F421 HydrophobicContact CB-CE1 4.17Å; V34-F421 HydrophobicContact CG2-CD1 3.53Å; V34-F421 HydrophobicContact CG2-CE1 3.6Å; V34-F421 HydrophobicContact CG2-CG 4.21Å; V34-F421 HydrophobicContact CG2-CZ 4.33Å; I409-F421 HydrophobicContact CG2-CB 4.08Å; I409-F421 HydrophobicContact CG2-CG 4.49Å; L413-F421 HydrophobicContact CD2-CB 4.46Å; F421-K423 HydrophobicContact CE2-CG 4.05Å
422	L	72	Confident	77.1	Confident	95 Å²	95	63.6 Å²	63.6	50%	0.497	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-83.7	130.9	168.9	-66.7	172.4	0	0	0	109.1	V427	L422-V427 HydrophobicContact CB-CG2 3.77Å; L422-V427 HydrophobicContact CD1-CG2 4.27Å
423	K	75.8	Confident	77.2	Confident	57 Å²	57	68.7 Å²	68.7	25%	0.248	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-67.8	144.9	170.7	-59.7	-174.2	-172	-172	0	109.2	D31 F421 I425 E426 V427	D31-K423 IonicContact OD1-NZ 2.76Å; D31-K423 PolarHBondContact OD1-NZ 3.09Å; D31-K423 IonicContact OD2-NZ 3.14Å; D31-K423 PolarHBondContact OD2-NZ 3.47Å; F421-K423 HydrophobicContact CE2-CG 4.05Å; K423-I425 HydrophobicContact CB-CG2 4.18Å; K423-I425 PolarHBondContact O-N 3.29Å; K423-E426 HydrophobicContact CB-CB 4.5Å; K423-E426 HydrophobicContact CB-CG 4.06Å; K423-E426 WeakPolarHBondContact CD-OE1 3.27Å; K423-E426 WeakPolarHBondContact CG-OE1 3.49Å; K423-E426 PolarHBondContact N-OE2 2.97Å; K423-E426 WeakPolarHBondContact O-CA 3.23Å; K423-E426 WeakPolarHBondContact O-CB 3.23Å; K423-E426 PolarHBondContact O-N 3.01Å; K423-V427 PolarHBondContact O-N 2.88Å; K423-V427 VanDerWaalsContact O-N 3.14Å
424	P	78.4	Confident	77.4	Confident	34 Å²	34	68.9 Å²	68.9	22%	0.221	38%	0.383	C	S	.	.	H	α-helix	trans	-43.3	-41	173.7	-37.7	40.5	0	0	0	115.3	Y399 V428	Y399-P424 HydrophobicContact CD1-CB 4.18Å; Y399-P424 HydrophobicContact CD1-CG 3.96Å; Y399-P424 HydrophobicContact CD2-CB 3.55Å; Y399-P424 HydrophobicContact CD2-CG 4.25Å; Y399-P424 HydrophobicContact CE1-CB 4.34Å; Y399-P424 HydrophobicContact CE1-CG 4.08Å; Y399-P424 HydrophobicContact CE2-CB 3.69Å; Y399-P424 HydrophobicContact CE2-CG 4.32Å; Y399-P424 HydrophobicContact CG-CB 3.8Å; Y399-P424 HydrophobicContact CG-CG 4.05Å; P424-V428 WeakPolarHBondContact O-CG2 3.43Å; P424-V428 PolarHBondContact O-N 3.45Å; P424-V428 VanDerWaalsContact O-N 3.16Å
425	I	83.4	Confident	77.7	Confident	120 Å²	120	73.7 Å²	73.7	62%	0.615	41%	0.409	S	S	*	.	H	α-helix	trans	-71.8	-30.5	179.5	-163.5	161.7	0	0	0	113.5	K423 V428 A429	K423-I425 HydrophobicContact CB-CG2 4.18Å; K423-I425 PolarHBondContact O-N 3.29Å; I425-V428 PolarHBondContact O-N 3.35Å; I425-A429 WeakPolarHBondContact O-CB 3.29Å; I425-A429 PolarHBondContact O-N 2.99Å
426	E	84.4	Confident	78.2	Confident	85 Å²	85	74.8 Å²	74.8	40%	0.397	41%	0.413	S	S	.	.	H	α-helix	trans	-73.1	-37.9	176.1	-66.3	158.9	-171.3	0	0	110.8	K423 V428 A429 G430	K423-E426 HydrophobicContact CB-CB 4.5Å; K423-E426 HydrophobicContact CB-CG 4.06Å; K423-E426 WeakPolarHBondContact CD-OE1 3.27Å; K423-E426 WeakPolarHBondContact CG-OE1 3.49Å; K423-E426 PolarHBondContact N-OE2 2.97Å; K423-E426 WeakPolarHBondContact O-CA 3.23Å; K423-E426 WeakPolarHBondContact O-CB 3.23Å; K423-E426 PolarHBondContact O-N 3.01Å; E426-V428 VanDerWaalsContact C-N 3.34Å; E426-A429 PolarHBondContact O-N 3.19Å; E426-G430 PolarHBondContact O-N 3.31Å
427	V	83.9	Confident	79.7	Confident	28 Å²	28	76.6 Å²	76.6	17%	0.17	41%	0.407	C	S	.	.	H	α-helix	trans	-59.5	-47.7	171.1	-177	0	0	0	0	110	L395 L422 K423 G430 L431	L395-V427 HydrophobicContact CD1-CG1 4.02Å; L422-V427 HydrophobicContact CB-CG2 3.77Å; L422-V427 HydrophobicContact CD1-CG2 4.27Å; K423-V427 PolarHBondContact O-N 2.88Å; K423-V427 VanDerWaalsContact O-N 3.14Å; V427-G430 PolarHBondContact O-N 2.87Å; V427-L431 PolarHBondContact O-N 2.88Å
428	V	87.6	Confident	81.5	Confident	20 Å²	20	74.2 Å²	74.2	12%	0.121	39%	0.39	C	S	.	.	H	α-helix	trans	-62.2	-42.3	178	162.7	0	0	0	0	112.6	K392 L395 M396 P424 I425 E426 L431	K392-V428 HydrophobicContact CD-CG1 4.33Å; K392-V428 WeakPolarHBondContact CE-O 3.33Å; K392-V428 HydrophobicContact CG-CG1 4.14Å; L395-V428 HydrophobicContact CB-CG2 4.27Å; L395-V428 HydrophobicContact CD1-CG2 4.29Å; M396-V428 HydrophobicContact CG-CG2 4.38Å; M396-V428 HydrophobicContact SD-CG2 4.09Å; P424-V428 WeakPolarHBondContact O-CG2 3.43Å; P424-V428 PolarHBondContact O-N 3.45Å; P424-V428 VanDerWaalsContact O-N 3.16Å; I425-V428 PolarHBondContact O-N 3.35Å; E426-V428 VanDerWaalsContact C-N 3.34Å; V428-L431 WeakPolarHBondContact O-CB 3.36Å; V428-L431 PolarHBondContact O-N 3.32Å
429	A	88.3	Confident	83.4	Confident	48 Å²	48	71.6 Å²	71.6	40%	0.397	37%	0.374	S	S	.	.	H	α-helix	trans	-70.1	-31.5	174.9	0	0	0	0	0	112.5	I425 E426 L431 D432	I425-A429 WeakPolarHBondContact O-CB 3.29Å; I425-A429 PolarHBondContact O-N 2.99Å; E426-A429 PolarHBondContact O-N 3.19Å; A429-L431 PolarHBondContact O-N 2.78Å; A429-D432 PolarHBondContact O-N 3.44Å
430	G	87.5	Confident	85.2	Confident	27 Å²	27	64.6 Å²	64.6	28%	0.278	34%	0.337	S	S	.	.	H	α-helix	trans	-61.6	-29.2	173.8	0	0	0	0	0	113.3	E426 V427 D432 K433	E426-G430 PolarHBondContact O-N 3.31Å; V427-G430 PolarHBondContact O-N 2.87Å; G430-D432 VanDerWaalsContact C-N 3.28Å; G430-D432 PolarHBondContact O-N 3.16Å; G430-K433 PolarHBondContact O-N 2.81Å
431	L	89.2	Confident	86.6	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-30.7	176.1	-58.3	-173	0	0	0	113.1	T298 K388 L391 K392 L395 V427 V428 A429 K433 V434	T298-L431 HydrophobicContact CG2-CD2 3.48Å; T298-L431 VanDerWaalsContact CG2-CD2 3.48Å; K388-L431 WeakPolarHBondContact CE-O 3.26Å; L391-L431 HydrophobicContact CB-CD1 4.15Å; L391-L431 HydrophobicContact CD2-CD1 3.8Å; L391-L431 HydrophobicContact CD2-CD2 3.73Å; L391-L431 HydrophobicContact CD2-CG 4.43Å; L391-L431 HydrophobicContact CG-CD1 3.81Å; K392-L431 HydrophobicContact CG-CD1 3.7Å; L395-L431 HydrophobicContact CD1-CD1 3.85Å; V427-L431 PolarHBondContact O-N 2.88Å; V428-L431 WeakPolarHBondContact O-CB 3.36Å; V428-L431 PolarHBondContact O-N 3.32Å; A429-L431 PolarHBondContact O-N 2.78Å; L431-K433 VanDerWaalsContact C-N 3.33Å; L431-V434 PolarHBondContact O-N 3.07Å
432	D	89.4	Confident	87.7	Confident	86 Å²	86	59 Å²	59	46%	0.46	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-34.5	-179	-69.7	-45	0	0	0	112	K388 K392 A429 G430 V434	K388-D432 PolarHBondContact NZ-O 3.22Å; K392-D432 WeakPolarHBondContact CE-OD1 3.35Å; K392-D432 IonicContact NZ-OD1 2.89Å; K392-D432 PolarHBondContact NZ-OD1 2.91Å; K392-D432 IonicContact NZ-OD2 2.69Å; K392-D432 PolarHBondContact NZ-OD2 2.99Å; A429-D432 PolarHBondContact O-N 3.44Å; G430-D432 VanDerWaalsContact C-N 3.28Å; G430-D432 PolarHBondContact O-N 3.16Å; D432-V434 PolarHBondContact O-N 3.43Å; D432-V434 VanDerWaalsContact O-N 3.12Å
433	K	90.4	Very high	88.6	Confident	176 Å²	176	54.5 Å²	54.5	77%	0.765	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	0.8	-179.5	-56.2	-177.5	-178.4	-179.6	0	114.6	G430 L431	G430-K433 PolarHBondContact O-N 2.81Å; L431-K433 VanDerWaalsContact C-N 3.33Å
434	V	91.2	Very high	89.4	Confident	16 Å²	16	54.1 Å²	54.1	10%	0.097	29%	0.293	C	S	.	.			trans	-88.9	118.6	-177.3	-176.8	0	0	0	0	110.9	T298 I299 L302 K388 L431 D432 V439	T298-V434 HydrophobicContact CG2-CG2 3.38Å; I299-V434 HydrophobicContact CG1-CG1 4.43Å; L302-V434 HydrophobicContact CD1-CB 3.81Å; L302-V434 HydrophobicContact CD1-CG1 3.7Å; L302-V434 HydrophobicContact CD1-CG2 3.87Å; K388-V434 VanDerWaalsContact CE-O 3.26Å; K388-V434 WeakPolarHBondContact CE-O 3.48Å; K388-V434 PolarHBondContact NZ-O 3.14Å; L431-V434 PolarHBondContact O-N 3.07Å; D432-V434 PolarHBondContact O-N 3.43Å; D432-V434 VanDerWaalsContact O-N 3.12Å; V434-V439 HydrophobicContact CG1-CG2 3.62Å
435	D	92.4	Very high	90	Very high	107 Å²	107	60.2 Å²	60.2	57%	0.572	32%	0.316	S	S	*	.			trans	-79.6	150.9	178.7	-54.4	-49.2	0	0	0	113.2	K437 S438 V439	D435-K437 VanDerWaalsContact C-N 3.3Å; D435-K437 PolarHBondContact O-N 2.96Å; D435-S438 PolarHBondContact O-N 2.78Å; D435-V439 PolarHBondContact O-N 3.09Å
436	L	92.8	Very high	90.4	Very high	40 Å²	40	54.8 Å²	54.8	21%	0.209	29%	0.289	C	S	.	.	H	α-helix	trans	-57.4	-42.1	175.9	-173	73.8	0	0	0	112.5	F379 T380 E381 L384 S438 V439 N440	F379-L436 HydrophobicContact CB-CD1 4.18Å; T380-L436 WeakPolarHBondContact O-CD1 3.43Å; E381-L436 HydrophobicContact CG-CD2 3.88Å; L384-L436 HydrophobicContact CB-CD1 3.77Å; L384-L436 HydrophobicContact CD2-CB 3.92Å; L384-L436 HydrophobicContact CD2-CD1 3.91Å; L384-L436 HydrophobicContact CG-CD1 4.41Å; L436-S438 PolarHBondContact O-N 3.09Å; L436-V439 PolarHBondContact O-N 3.23Å; L436-N440 PolarHBondContact O-N 2.94Å
437	K	93.2	Very high	90.6	Very high	149 Å²	149	50.8 Å²	50.8	65%	0.648	27%	0.27	S	S	*	.	H	α-helix	trans	-57.8	-48	179.4	-174.8	178.5	178.8	-178.3	0	111.3	D435 V439 N440 D441	D435-K437 VanDerWaalsContact C-N 3.3Å; D435-K437 PolarHBondContact O-N 2.96Å; K437-V439 VanDerWaalsContact C-N 3.26Å; K437-V439 PolarHBondContact O-N 3.33Å; K437-N440 PolarHBondContact O-N 3.15Å; K437-D441 VanDerWaalsContact O-CB 3.28Å; K437-D441 WeakPolarHBondContact O-CB 3.38Å; K437-D441 VanDerWaalsContact O-CG 3.26Å; K437-D441 PolarHBondContact O-N 3.15Å
438	S	91.7	Very high	90.8	Very high	52 Å²	52	54.2 Å²	54.2	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-61.1	-33.1	179.4	-58.6	0	0	0	0	113	D435 L436 A442	D435-S438 PolarHBondContact O-N 2.78Å; L436-S438 PolarHBondContact O-N 3.09Å; S438-A442 WeakPolarHBondContact O-CB 3.42Å; S438-A442 PolarHBondContact O-N 3.33Å
439	V	92.1	Very high	90.8	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-73.9	-47.3	176.1	179.6	0	0	0	0	111.3	I299 I303 F379 L384 V434 D435 L436 K437 A442 L443	I299-V439 HydrophobicContact CG2-CG2 4.45Å; I303-V439 HydrophobicContact CD1-CG1 4.49Å; I303-V439 HydrophobicContact CG1-CG1 3.65Å; F379-V439 HydrophobicContact CD2-CG1 3.86Å; F379-V439 HydrophobicContact CE2-CG1 4.14Å; L384-V439 HydrophobicContact CD1-CG2 4.03Å; V434-V439 HydrophobicContact CG1-CG2 3.62Å; D435-V439 PolarHBondContact O-N 3.09Å; L436-V439 PolarHBondContact O-N 3.23Å; K437-V439 VanDerWaalsContact C-N 3.26Å; K437-V439 PolarHBondContact O-N 3.33Å; V439-A442 PolarHBondContact O-N 3.46Å; V439-L443 PolarHBondContact O-N 3.23Å
440	N	93	Very high	90.6	Very high	18 Å²	18	60.3 Å²	60.3	10%	0.096	31%	0.306	C	S	.	.	H	α-helix	trans	-66.4	-43.5	178.6	-73.8	-22.7	0	0	0	111.8	F379 L436 K437 A442 L443 N444	F379-N440 WeakPolarHBondContact CB-OD1 3.45Å; F379-N440 VanDerWaalsContact CD2-OD1 3.29Å; F379-N440 WeakPolarHBondContact CD2-OD1 3.29Å; F379-N440 PolarHBondContact N-OD1 3.02Å; F379-N440 PolarHBondContact O-ND2 3.3Å; F379-N440 VanDerWaalsContact O-ND2 3.13Å; L436-N440 PolarHBondContact O-N 2.94Å; K437-N440 PolarHBondContact O-N 3.15Å; N440-A442 VanDerWaalsContact C-N 3.29Å; N440-A442 PolarHBondContact O-N 2.99Å; N440-L443 PolarHBondContact O-N 3.01Å; N440-N444 WeakPolarHBondContact O-CB 3.47Å; N440-N444 PolarHBondContact O-N 3.38Å; N440-N444 PolarHBondContact O-ND2 2.97Å
441	D	92.3	Very high	90.7	Very high	63 Å²	63	64.1 Å²	64.1	34%	0.337	32%	0.316	S	S	.	.	H	α-helix	trans	-60.2	-39.4	175.6	-74.6	-6.8	0	0	0	111.4	K437 K445	K437-D441 VanDerWaalsContact O-CB 3.28Å; K437-D441 WeakPolarHBondContact O-CB 3.38Å; K437-D441 VanDerWaalsContact O-CG 3.26Å; K437-D441 PolarHBondContact O-N 3.15Å; D441-K445 WeakPolarHBondContact O-CB 3.47Å; D441-K445 WeakPolarHBondContact O-CD 3.49Å; D441-K445 WeakPolarHBondContact O-CG 3.35Å; D441-K445 PolarHBondContact O-N 3.38Å
442	A	92.1	Very high	90.9	Very high	15 Å²	15	64.2 Å²	64.2	12%	0.124	32%	0.317	C	S	.	.	H	α-helix	trans	-71.1	-39.7	177.8	0	0	0	0	0	112.5	M293 I299 I303 S438 V439 N440 T446	M293-A442 HydrophobicContact CE-CB 3.86Å; I299-A442 HydrophobicContact CG2-CB 3.77Å; I303-A442 HydrophobicContact CD1-CB 4.36Å; S438-A442 WeakPolarHBondContact O-CB 3.42Å; S438-A442 PolarHBondContact O-N 3.33Å; V439-A442 PolarHBondContact O-N 3.46Å; N440-A442 VanDerWaalsContact C-N 3.29Å; N440-A442 PolarHBondContact O-N 2.99Å; A442-T446 WeakPolarHBondContact O-CB 3.48Å; A442-T446 PolarHBondContact O-N 2.86Å; A442-T446 PolarHBondContact O-OG1 2.96Å
443	L	91.8	Very high	91.2	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-53.8	172.6	-179.9	69.9	0	0	0	110.5	I303 F351 L374 F379 V439 N440 K445 T446 V447	I303-L443 HydrophobicContact CD1-CB 4.09Å; I303-L443 HydrophobicContact CG2-CD1 3.88Å; F351-L443 HydrophobicContact CE1-CD1 4.09Å; F351-L443 HydrophobicContact CZ-CD1 4.27Å; L374-L443 HydrophobicContact CD2-CD1 4.41Å; F379-L443 HydrophobicContact CD2-CD2 4.48Å; F379-L443 HydrophobicContact CE2-CD2 3.71Å; F379-L443 HydrophobicContact CZ-CD2 3.95Å; V439-L443 PolarHBondContact O-N 3.23Å; N440-L443 PolarHBondContact O-N 3.01Å; L443-K445 PolarHBondContact O-N 2.96Å; L443-T446 WeakPolarHBondContact O-CA 3.31Å; L443-T446 WeakPolarHBondContact O-CB 3.44Å; L443-T446 PolarHBondContact O-N 3.19Å; L443-V447 HydrophobicContact CD1-CG2 3.74Å; L443-V447 HydrophobicContact CG-CG2 4.2Å; L443-V447 WeakPolarHBondContact O-CG2 3.43Å; L443-V447 PolarHBondContact O-N 3.44Å
444	N	91.8	Very high	91.5	Very high	49 Å²	49	51.8 Å²	51.8	26%	0.262	26%	0.259	S	S	.	.	H	α-helix	trans	-58.9	-46.7	-175.8	-69.5	-13	0	0	0	111.4	N440 T446 V447 M448	N440-N444 WeakPolarHBondContact O-CB 3.47Å; N440-N444 PolarHBondContact O-N 3.38Å; N440-N444 PolarHBondContact O-ND2 2.97Å; N444-T446 PolarHBondContact O-N 3.47Å; N444-V447 PolarHBondContact O-N 3.4Å; N444-M448 VanDerWaalsContact O-CB 3.25Å; N444-M448 WeakPolarHBondContact O-CB 3.21Å; N444-M448 WeakPolarHBondContact O-CG 3.3Å; N444-M448 PolarHBondContact O-N 2.93Å
445	K	91.4	Very high	91.8	Very high	161 Å²	161	51 Å²	51	70%	0.7	25%	0.254	S	S	*	.	H	α-helix	trans	-60.3	-31.2	175.4	-74.2	169.7	-175.8	171.7	0	113.5	D441 L443	D441-K445 WeakPolarHBondContact O-CB 3.47Å; D441-K445 WeakPolarHBondContact O-CD 3.49Å; D441-K445 WeakPolarHBondContact O-CG 3.35Å; D441-K445 PolarHBondContact O-N 3.38Å; L443-K445 PolarHBondContact O-N 2.96Å
446	T	91.2	Very high	92	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.043	23%	0.227	C	C	.	.	H	α-helix	trans	-79.4	-46.2	-178.7	-57.2	0	0	0	0	111.3	W291 M293 F351 A442 L443 N444 N449	W291-T446 HydrophobicContact CB-CG2 3.58Å; W291-T446 HydrophobicContact CG-CG2 4.38Å; M293-T446 HydrophobicContact CB-CG2 4.1Å; M293-T446 HydrophobicContact CG-CG2 4.45Å; F351-T446 HydrophobicContact CB-CG2 4.31Å; F351-T446 HydrophobicContact CD1-CG2 3.88Å; A442-T446 WeakPolarHBondContact O-CB 3.48Å; A442-T446 PolarHBondContact O-N 2.86Å; A442-T446 PolarHBondContact O-OG1 2.96Å; L443-T446 WeakPolarHBondContact O-CA 3.31Å; L443-T446 WeakPolarHBondContact O-CB 3.44Å; L443-T446 PolarHBondContact O-N 3.19Å; N444-T446 PolarHBondContact O-N 3.47Å; T446-N449 WeakPolarHBondContact O-CB 3.39Å; T446-N449 PolarHBondContact O-N 2.68Å
447	V	89.4	Confident	92.2	Very high	1 Å²	1	44 Å²	44	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-81.1	-26.7	-174.2	-177.9	0	0	0	0	113	W291 F351 L374 R375 L443 N444 N449	W291-V447 HydrophobicContact CZ2-CG1 4.35Å; F351-V447 HydrophobicContact CE1-CG2 4.39Å; L374-V447 HydrophobicContact CB-CG1 3.81Å; L374-V447 HydrophobicContact CB-CG2 4.2Å; L374-V447 HydrophobicContact CD1-CG2 4.07Å; R375-V447 HydrophobicContact CG-CG1 3.62Å; R375-V447 PolarHBondContact NE-O 2.77Å; R375-V447 PolarHBondContact NH2-O 3.06Å; L443-V447 HydrophobicContact CD1-CG2 3.74Å; L443-V447 HydrophobicContact CG-CG2 4.2Å; L443-V447 WeakPolarHBondContact O-CG2 3.43Å; L443-V447 PolarHBondContact O-N 3.44Å; N444-V447 PolarHBondContact O-N 3.4Å; V447-N449 PolarHBondContact O-N 3.42Å
448	M	88.7	Confident	92.2	Very high	99 Å²	99	36.9 Å²	36.9	49%	0.488	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.8	171.5	-63.7	-60.5	-177.9	0	0	113	R375 N444 H450	R375-M448 HydrophobicContact CB-CE 3.94Å; R375-M448 HydrophobicContact CB-SD 4.48Å; R375-M448 HydrophobicContact CG-CE 4.16Å; R375-M448 HydrophobicContact CG-SD 4.08Å; R375-M448 WeakPolarHBondContact O-CE 3.4Å; N444-M448 VanDerWaalsContact O-CB 3.25Å; N444-M448 WeakPolarHBondContact O-CB 3.21Å; N444-M448 WeakPolarHBondContact O-CG 3.3Å; N444-M448 PolarHBondContact O-N 2.93Å; M448-H450 PolarHBondContact O-N 3Å
449	N	86.8	Confident	92.2	Very high	47 Å²	47	35.2 Å²	35.2	25%	0.251	17%	0.174	S	C	.	.			trans	-72	125.8	174.5	-169	-2.7	0	0	0	110.7	P292 T446 V447 Q451	P292-N449 WeakPolarHBondContact CG-ND2 3.32Å; T446-N449 WeakPolarHBondContact O-CB 3.39Å; T446-N449 PolarHBondContact O-N 2.68Å; V447-N449 PolarHBondContact O-N 3.42Å; N449-Q451 PolarHBondContact O-N 3.27Å; N449-Q451 PolarHBondContact OD1-N 2.89Å
450	H	85.1	Confident	92.1	Very high	150 Å²	150	39.3 Å²	39.3	69%	0.694	20%	0.196	S	C	*	.	S	Bend	trans	-71.5	-17.4	174	-64.5	-67.5	0	0	0	113.2	M448 A452 L471	M448-H450 PolarHBondContact O-N 3Å; H450-A452 PolarHBondContact O-N 2.99Å; H450-L471 WeakPolarHBondContact O-CD1 3.07Å
451	Q	89.3	Confident	92	Very high	106 Å²	106	38.7 Å²	38.7	50%	0.495	19%	0.192	S	C	.	.			trans	-84.6	110.2	171.6	-65.8	-176.7	-38.6	0	0	110.1	F270 P292 N449	F270-Q451 HydrophobicContact CD1-CB 4.16Å; F270-Q451 HydrophobicContact CE1-CB 3.98Å; P292-Q451 VanDerWaalsContact CD-O 3.31Å; P292-Q451 WeakPolarHBondContact CD-O 3.43Å; N449-Q451 PolarHBondContact O-N 3.27Å; N449-Q451 PolarHBondContact OD1-N 2.89Å
452	A	93.7	Very high	91.8	Very high	3 Å²	3	39.2 Å²	39.2	3%	0.025	21%	0.213	C	C	.	.			trans	-134	167	172	0	0	0	0	0	110.7	G272 G273 L289 A290 W291 H450 L467 L471	G272-A452 VanDerWaalsContact CA-O 3.26Å; G272-A452 WeakPolarHBondContact CA-O 3.5Å; G273-A452 PolarHBondContact N-O 3.39Å; L289-A452 HydrophobicContact CD1-CB 4.02Å; A290-A452 CarbonylContact O-C 3.11Å; A290-A452 WeakPolarHBondContact O-CA 3.46Å; A290-A452 WeakPolarHBondContact O-CB 3.33Å; W291-A452 HydrophobicContact CG-CB 4.26Å; H450-A452 PolarHBondContact O-N 2.99Å; A452-L467 HydrophobicContact CB-CD1 4.25Å; A452-L467 HydrophobicContact CB-CD2 4.36Å; A452-L467 WeakPolarHBondContact O-CD2 3.35Å; A452-L471 HydrophobicContact CB-CD1 3.94Å; A452-L471 HydrophobicContact CB-CD2 4.32Å
453	A	95.6	Very high	91.7	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.9	176	0	0	0	0	0	108.6	L184 A187 A188 F270 G273 L289 A290	L184-A453 HydrophobicContact CD1-CB 3.95Å; L184-A453 WeakPolarHBondContact CD1-O 3.48Å; A187-A453 HydrophobicContact CB-CB 4.35Å; A188-A453 HydrophobicContact CB-CB 3.66Å; F270-A453 HydrophobicContact CE2-CB 4.06Å; F270-A453 HydrophobicContact CZ-CB 3.77Å; G273-A453 CarbonylContact O-C 3.53Å; G273-A453 WeakPolarHBondContact O-CA 3.35Å; L289-A453 WeakPolarHBondContact CA-O 3.1Å; A290-A453 PolarHBondContact N-O 3.31Å; A290-A453 PolarHBondContact O-N 3.06Å
454	F	96.8	Very high	91.7	Very high	1 Å²	1	44 Å²	44	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.6	-177.3	-167	-135.8	0	0	0	110.6	G273 E274 I275 A287 Y288 L289 I367 L456 I464 L467 L470	G273-F454 PolarHBondContact O-N 3.18Å; E274-F454 CarbonylContact C-O 3.22Å; E274-F454 VanDerWaalsContact CA-O 3.23Å; E274-F454 WeakPolarHBondContact CA-O 3.18Å; E274-F454 HydrophobicContact CB-CB 3.98Å; E274-F454 HydrophobicContact CB-CD1 4.26Å; I275-F454 PolarHBondContact N-O 2.92Å; A287-F454 HydrophobicContact CB-CE2 4.43Å; Y288-F454 CarbonylContact O-C 3.56Å; Y288-F454 VanDerWaalsContact O-CA 3.29Å; Y288-F454 WeakPolarHBondContact O-CA 3.24Å; Y288-F454 VanDerWaalsContact O-CD2 3.25Å; Y288-F454 WeakPolarHBondContact O-CD2 3.22Å; L289-F454 HydrophobicContact CB-CD2 4Å; L289-F454 HydrophobicContact CB-CE2 4.33Å; L289-F454 HydrophobicContact CD1-CB 4.49Å; L289-F454 HydrophobicContact CD1-CD2 4.12Å; I367-F454 HydrophobicContact CD1-CE2 4.06Å; I367-F454 HydrophobicContact CD1-CZ 4.03Å; F454-L456 HydrophobicContact CD1-CD1 4.46Å; F454-L456 HydrophobicContact CD1-CG 4.3Å; F454-L456 HydrophobicContact CE1-CD1 3.72Å; F454-L456 HydrophobicContact CE1-CD2 3.98Å; F454-L456 HydrophobicContact CE1-CG 3.76Å; F454-L456 HydrophobicContact CE2-CD2 4.14Å; F454-L456 HydrophobicContact CZ-CD1 4.15Å; F454-L456 HydrophobicContact CZ-CD2 3.59Å; F454-L456 HydrophobicContact CZ-CG 3.91Å; F454-I464 HydrophobicContact CE1-CG2 4.12Å; F454-I464 HydrophobicContact CZ-CG2 3.95Å; F454-L467 HydrophobicContact CB-CB 4.29Å; F454-L467 HydrophobicContact CB-CD1 4.04Å; F454-L467 HydrophobicContact CB-CD2 4.02Å; F454-L467 HydrophobicContact CB-CG 4.34Å; F454-L467 HydrophobicContact CD1-CB 4.37Å; F454-L467 HydrophobicContact CG-CD1 4.41Å; F454-L470 HydrophobicContact CD1-CD1 4.48Å; F454-L470 HydrophobicContact CE1-CD1 3.78Å; F454-L470 HydrophobicContact CE2-CD1 4.4Å; F454-L470 HydrophobicContact CZ-CD1 3.73Å
455	S	96.8	Very high	91.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.7	170.1	70.7	0	0	0	0	111.3	G180 I275 A287 Y288	G180-S455 WeakPolarHBondContact O-CB 3.33Å; G180-S455 PolarHBondContact O-OG 3.14Å; I275-S455 WeakPolarHBondContact O-CA 3.25Å; A287-S455 CarbonylContact C-O 3.57Å; A287-S455 WeakPolarHBondContact CA-O 3.19Å; Y288-S455 WeakPolarHBondContact CD2-OG 3.37Å; Y288-S455 PolarHBondContact N-O 3.46Å; Y288-S455 PolarHBondContact O-N 2.75Å
456	L	96.7	Very high	91.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.4	177.5	-69.3	180	0	0	0	109.9	I275 R276 R277 Y286 A287 F454 L461 I464	I275-L456 PolarHBondContact O-N 3.27Å; R276-L456 HydrophobicContact CG-CB 4.32Å; R276-L456 HydrophobicContact CG-CD1 4.15Å; R277-L456 PolarHBondContact N-O 2.89Å; Y286-L456 WeakPolarHBondContact O-CA 3.4Å; A287-L456 HydrophobicContact CB-CD2 3.39Å; F454-L456 HydrophobicContact CD1-CD1 4.46Å; F454-L456 HydrophobicContact CD1-CG 4.3Å; F454-L456 HydrophobicContact CE1-CD1 3.72Å; F454-L456 HydrophobicContact CE1-CD2 3.98Å; F454-L456 HydrophobicContact CE1-CG 3.76Å; F454-L456 HydrophobicContact CE2-CD2 4.14Å; F454-L456 HydrophobicContact CZ-CD1 4.15Å; F454-L456 HydrophobicContact CZ-CD2 3.59Å; F454-L456 HydrophobicContact CZ-CG 3.91Å; L456-L461 HydrophobicContact CB-CD1 3.82Å; L456-L461 HydrophobicContact CB-CD2 4.08Å; L456-L461 HydrophobicContact CB-CG 4.42Å; L456-L461 HydrophobicContact CD1-CB 4.45Å; L456-I464 HydrophobicContact CD1-CB 3.99Å; L456-I464 HydrophobicContact CD1-CD1 4.24Å; L456-I464 HydrophobicContact CD1-CG2 3.93Å; L456-I464 HydrophobicContact CD2-CD1 3.79Å; L456-I464 HydrophobicContact CD2-CG2 4.34Å
457	V	95.7	Very high	91.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	121.1	176.3	-176.5	0	0	0	0	109.1	L176 L179 G180 L183 R277 L279 V285 Y286	L176-V457 HydrophobicContact CB-CG1 4.07Å; L176-V457 HydrophobicContact CD2-CG1 4.2Å; L179-V457 HydrophobicContact CD2-CG1 4.02Å; L179-V457 HydrophobicContact CG-CG2 4.32Å; G180-V457 VanDerWaalsContact CA-CG2 3.48Å; L183-V457 HydrophobicContact CD1-CG2 3.8Å; R277-V457 HydrophobicContact CB-CG2 4.21Å; L279-V457 HydrophobicContact CD1-CG1 3.76Å; V285-V457 CarbonylContact C-O 3.32Å; V285-V457 WeakPolarHBondContact CA-O 3.33Å; Y286-V457 PolarHBondContact N-O 2.8Å; Y286-V457 PolarHBondContact O-N 2.72Å
458	G	94	Very high	91.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.6	-174	-177.9	0	0	0	0	0	112.3	R277 D278 L279 L461	R277-G458 PolarHBondContact O-N 2.87Å; D278-G458 WeakPolarHBondContact CA-O 3.2Å; D278-G458 VanDerWaalsContact OD1-O 3.12Å; L279-G458 PolarHBondContact N-O 3.06Å; G458-L461 WeakPolarHBondContact O-CG 3.38Å
459	P	92	Very high	91.9	Very high	16 Å²	16	46.6 Å²	46.6	10%	0.104	25%	0.25	C	C	.	.	S	Bend	trans	-79	158.2	177.4	34.4	-37.4	0	0	0	112.3	A282 V285 L461	A282-P459 WeakPolarHBondContact O-CD 3.42Å; A282-P459 WeakPolarHBondContact O-CG 3.07Å; V285-P459 HydrophobicContact CG2-CG 4.33Å; P459-L461 PolarHBondContact O-N 3.33Å; P459-L461 VanDerWaalsContact O-N 3.1Å
460	D	90	Very high	92	Very high	89 Å²	89	44.4 Å²	44.4	48%	0.476	24%	0.238	S	C	.	.			trans	51.4	38.7	164.5	-60.3	-39	0	0	0	114.3	D278 P360 G462 F463	D278-D460 PolarHBondContact OD1-N 3.17Å; P360-D460 HydrophobicContact CG-CB 4.1Å; D460-G462 PolarHBondContact O-N 3.15Å; D460-F463 HydrophobicContact CB-CD2 3.76Å; D460-F463 HydrophobicContact CB-CE2 3.85Å; D460-F463 WeakPolarHBondContact O-CD2 3.45Å; D460-F463 PolarHBondContact O-N 3.07Å; D460-F463 VanDerWaalsContact O-N 3.15Å
461	L	90.5	Very high	92.1	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-63	-13.1	-173.5	-59.1	-179.4	0	0	0	113.9	R276 D278 V285 L456 G458 P459 F463 I464	R276-L461 HydrophobicContact CB-CD1 4.11Å; R276-L461 PolarHBondContact NH1-O 2.95Å; D278-L461 HydrophobicContact CB-CD1 4.41Å; V285-L461 HydrophobicContact CG1-CD2 3.82Å; V285-L461 HydrophobicContact CG2-CD2 4.31Å; L456-L461 HydrophobicContact CB-CD1 3.82Å; L456-L461 HydrophobicContact CB-CD2 4.08Å; L456-L461 HydrophobicContact CB-CG 4.42Å; L456-L461 HydrophobicContact CD1-CB 4.45Å; G458-L461 WeakPolarHBondContact O-CG 3.38Å; P459-L461 PolarHBondContact O-N 3.33Å; P459-L461 VanDerWaalsContact O-N 3.1Å; L461-F463 PolarHBondContact O-N 3.2Å; L461-I464 PolarHBondContact O-N 3.33Å
462	G	89.2	Confident	91.7	Very high	75 Å²	75	40.6 Å²	40.6	77%	0.773	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-64.1	-18.9	173.9	0	0	0	0	0	114.4	D460 I464	D460-G462 PolarHBondContact O-N 3.15Å; G462-I464 VanDerWaalsContact C-N 3.26Å; G462-I464 PolarHBondContact O-N 3.49Å
463	F	88.8	Confident	90.2	Very high	115 Å²	115	45.3 Å²	45.3	50%	0.504	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-75.9	-10.6	173.2	-68.3	-56.2	0	0	0	114.3	P360 K361 D460 L461	P360-F463 HydrophobicContact CB-CB 4.18Å; P360-F463 HydrophobicContact CB-CD2 4.46Å; K361-F463 HydrophobicContact CD-CD1 4.37Å; K361-F463 HydrophobicContact CD-CG 4.48Å; K361-F463 HydrophobicContact CG-CB 3.79Å; K361-F463 HydrophobicContact CG-CD1 4.2Å; K361-F463 HydrophobicContact CG-CD2 4.46Å; K361-F463 HydrophobicContact CG-CG 3.91Å; D460-F463 HydrophobicContact CB-CD2 3.76Å; D460-F463 HydrophobicContact CB-CE2 3.85Å; D460-F463 WeakPolarHBondContact O-CD2 3.45Å; D460-F463 PolarHBondContact O-N 3.07Å; D460-F463 VanDerWaalsContact O-N 3.15Å; L461-F463 PolarHBondContact O-N 3.2Å
464	I	91.7	Very high	89.9	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	25%	0.252	C	S	.	.	S	Bend	trans	-97.8	126.3	176.2	-60.2	175	0	0	0	107.9	R276 V285 P360 V363 F454 L456 L461 G462	R276-I464 PolarHBondContact NH1-O 2.94Å; V285-I464 HydrophobicContact CG1-CD1 3.93Å; P360-I464 HydrophobicContact CB-CD1 4.48Å; P360-I464 HydrophobicContact CB-CG1 4.4Å; P360-I464 WeakPolarHBondContact O-CG1 3.35Å; V363-I464 HydrophobicContact CB-CD1 4.42Å; V363-I464 HydrophobicContact CG1-CD1 4.03Å; F454-I464 HydrophobicContact CE1-CG2 4.12Å; F454-I464 HydrophobicContact CZ-CG2 3.95Å; L456-I464 HydrophobicContact CD1-CB 3.99Å; L456-I464 HydrophobicContact CD1-CD1 4.24Å; L456-I464 HydrophobicContact CD1-CG2 3.93Å; L456-I464 HydrophobicContact CD2-CD1 3.79Å; L456-I464 HydrophobicContact CD2-CG2 4.34Å; L461-I464 PolarHBondContact O-N 3.33Å; G462-I464 VanDerWaalsContact C-N 3.26Å; G462-I464 PolarHBondContact O-N 3.49Å
465	E	92.7	Very high	89.6	Confident	72 Å²	72	50.1 Å²	50.1	34%	0.336	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-61	155.3	-177.5	-75	177.7	-143.4	0	0	113.3	R276 K368 L469 L470	R276-E465 PolarHBondContact NH2-O 2.77Å; R276-E465 VanDerWaalsContact NH2-O 3.14Å; K368-E465 WeakPolarHBondContact CE-OE1 3.36Å; K368-E465 WeakPolarHBondContact CE-OE2 3.36Å; K368-E465 IonicContact NZ-OE1 2.75Å; K368-E465 PolarHBondContact NZ-OE1 3.43Å; K368-E465 IonicContact NZ-OE2 2.73Å; K368-E465 PolarHBondContact NZ-OE2 2.65Å; E465-L469 HydrophobicContact CB-CB 4.37Å; E465-L469 WeakPolarHBondContact OE2-CB 3.35Å; E465-L470 HydrophobicContact CB-CD2 4.08Å; E465-L470 HydrophobicContact CB-CG 4.25Å
466	P	93	Very high	89.2	Confident	55 Å²	55	52.8 Å²	52.8	36%	0.357	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-62.1	148.2	170.8	26.5	-35.5	0	0	0	112.2	E274 R276 Q468 L469 L470	E274-P466 WeakPolarHBondContact OE2-CA 3.27Å; R276-P466 VanDerWaalsContact NH2-CA 3.31Å; P466-Q468 PolarHBondContact O-N 2.8Å; P466-Q468 VanDerWaalsContact O-N 3.07Å; P466-L469 HydrophobicContact CG-CB 4.34Å; P466-L469 HydrophobicContact CG-CD1 3.85Å; P466-L469 HydrophobicContact CG-CG 3.92Å; P466-L469 PolarHBondContact O-N 3.42Å; P466-L470 PolarHBondContact O-N 3.47Å; P466-L470 VanDerWaalsContact O-N 3.15Å
467	L	92.4	Very high	88.7	Confident	13 Å²	13	55.9 Å²	55.9	7%	0.068	30%	0.296	C	S	.	.	H	α-helix	trans	-51	-36.6	-179.9	178.5	60.5	0	0	0	112.7	E274 L289 A452 F454 L469 L470 L471	E274-L467 HydrophobicContact CB-CB 4.4Å; E274-L467 PolarHBondContact OE2-N 3.16Å; L289-L467 HydrophobicContact CD1-CD1 3.59Å; A452-L467 HydrophobicContact CB-CD1 4.25Å; A452-L467 HydrophobicContact CB-CD2 4.36Å; A452-L467 WeakPolarHBondContact O-CD2 3.35Å; F454-L467 HydrophobicContact CB-CB 4.29Å; F454-L467 HydrophobicContact CB-CD1 4.04Å; F454-L467 HydrophobicContact CB-CD2 4.02Å; F454-L467 HydrophobicContact CB-CG 4.34Å; F454-L467 HydrophobicContact CD1-CB 4.37Å; F454-L467 HydrophobicContact CG-CD1 4.41Å; L467-L469 VanDerWaalsContact C-N 3.27Å; L467-L469 PolarHBondContact O-N 3.39Å; L467-L470 PolarHBondContact O-N 3.17Å; L467-L471 HydrophobicContact CD1-CD1 3.75Å; L467-L471 HydrophobicContact CD1-CD2 4.37Å; L467-L471 HydrophobicContact CD1-CG 3.76Å; L467-L471 HydrophobicContact CD2-CD1 4.45Å; L467-L471 HydrophobicContact CG-CD1 3.83Å; L467-L471 HydrophobicContact CG-CG 4.25Å; L467-L471 WeakPolarHBondContact O-CB 3.43Å; L467-L471 WeakPolarHBondContact O-CG 3.35Å; L467-L471 PolarHBondContact O-N 3.43Å
468	Q	89.9	Confident	88.3	Confident	157 Å²	157	59.4 Å²	59.4	73%	0.734	31%	0.314	S	S	*	.	H	α-helix	trans	-65.2	-24	178	-64.3	-176.4	1.2	0	0	114.4	P466 K472	P466-Q468 PolarHBondContact O-N 2.8Å; P466-Q468 VanDerWaalsContact O-N 3.07Å; Q468-K472 WeakPolarHBondContact O-CD 3.45Å; Q468-K472 WeakPolarHBondContact O-CE 3.46Å; Q468-K472 VanDerWaalsContact O-CG 3.29Å; Q468-K472 WeakPolarHBondContact O-CG 3.48Å
469	L	90.4	Very high	87.9	Confident	74 Å²	74	63.4 Å²	63.4	39%	0.387	34%	0.335	S	S	.	.	H	α-helix	trans	-88.1	-42.9	172.2	-66.5	-178.5	0	0	0	110.5	E465 P466 L467 L471 K472	E465-L469 HydrophobicContact CB-CB 4.37Å; E465-L469 WeakPolarHBondContact OE2-CB 3.35Å; P466-L469 HydrophobicContact CG-CB 4.34Å; P466-L469 HydrophobicContact CG-CD1 3.85Å; P466-L469 HydrophobicContact CG-CG 3.92Å; P466-L469 PolarHBondContact O-N 3.42Å; L467-L469 VanDerWaalsContact C-N 3.27Å; L467-L469 PolarHBondContact O-N 3.39Å; L469-L471 PolarHBondContact O-N 2.73Å; L469-K472 HydrophobicContact CD2-CD 4.3Å; L469-K472 PolarHBondContact O-N 2.75Å
470	L	88	Confident	87.6	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-56.4	-33.6	175.8	-63.7	176.7	0	0	0	113.1	I367 K368 I371 F454 E465 P466 L467	I367-L470 HydrophobicContact CG2-CD1 4.2Å; K368-L470 HydrophobicContact CD-CD2 4.31Å; K368-L470 HydrophobicContact CG-CD2 3.54Å; I371-L470 HydrophobicContact CD1-CB 3.96Å; I371-L470 VanDerWaalsContact CD1-O 3.3Å; I371-L470 WeakPolarHBondContact CD1-O 3.38Å; F454-L470 HydrophobicContact CD1-CD1 4.48Å; F454-L470 HydrophobicContact CE1-CD1 3.78Å; F454-L470 HydrophobicContact CE2-CD1 4.4Å; F454-L470 HydrophobicContact CZ-CD1 3.73Å; E465-L470 HydrophobicContact CB-CD2 4.08Å; E465-L470 HydrophobicContact CB-CG 4.25Å; P466-L470 PolarHBondContact O-N 3.47Å; P466-L470 VanDerWaalsContact O-N 3.15Å; L467-L470 PolarHBondContact O-N 3.17Å
471	L	86.9	Confident	87.4	Confident	13 Å²	13	65.1 Å²	65.1	7%	0.068	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.8	178.9	-68.1	177	0	0	0	115.2	W291 R375 H450 A452 L467 L469	W291-L471 HydrophobicContact CZ2-CD2 4.27Å; R375-L471 PolarHBondContact NH1-O 2.67Å; R375-L471 PolarHBondContact NH2-O 2.95Å; H450-L471 WeakPolarHBondContact O-CD1 3.07Å; A452-L471 HydrophobicContact CB-CD1 3.94Å; A452-L471 HydrophobicContact CB-CD2 4.32Å; L467-L471 HydrophobicContact CD1-CD1 3.75Å; L467-L471 HydrophobicContact CD1-CD2 4.37Å; L467-L471 HydrophobicContact CD1-CG 3.76Å; L467-L471 HydrophobicContact CD2-CD1 4.45Å; L467-L471 HydrophobicContact CG-CD1 3.83Å; L467-L471 HydrophobicContact CG-CG 4.25Å; L467-L471 WeakPolarHBondContact O-CB 3.43Å; L467-L471 WeakPolarHBondContact O-CG 3.35Å; L467-L471 PolarHBondContact O-N 3.43Å; L469-L471 PolarHBondContact O-N 2.73Å
472	K	81.8	Confident	87.2	Confident	162 Å²	162	70.2 Å²	70.2	70%	0.704	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-18	176.7	-81.1	174.1	-174.1	-178.1	0	113.5	Q468 L469	Q468-K472 WeakPolarHBondContact O-CD 3.45Å; Q468-K472 WeakPolarHBondContact O-CE 3.46Å; Q468-K472 VanDerWaalsContact O-CG 3.29Å; Q468-K472 WeakPolarHBondContact O-CG 3.48Å; L469-K472 HydrophobicContact CD2-CD 4.3Å; L469-K472 PolarHBondContact O-N 2.75Å
473	E	61.6	Low	87	Confident	103 Å²	103	69.7 Å²	69.7	48%	0.481	33%	0.332	S	S	.	.			trans	-83.9	0	175.2	-63.1	178	-178.9	0	0	112.2	K368 R375	K368-E473 WeakPolarHBondContact CB-OE2 3.21Å; K368-E473 WeakPolarHBondContact CD-OE1 3.29Å; K368-E473 WeakPolarHBondContact CD-OE2 3.44Å; K368-E473 VanDerWaalsContact CE-OE1 3.27Å; K368-E473 WeakPolarHBondContact CE-OE1 3.37Å; K368-E473 WeakPolarHBondContact CG-OE2 3.29Å; K368-E473 IonicContact NZ-OE1 2.69Å; K368-E473 PolarHBondContact NZ-OE1 2.69Å; R375-E473 WeakPolarHBondContact CD-OXT 3.4Å; R375-E473 PolarHBondContact NH1-OXT 3.06Å

Retrieved 473 of 473 residues in 229 ms (Link to these results)

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