A0A5K4FCJ7_SCHMA Loading...

Ribonuclease H2 subunit B

Non catalytic subunit of RNase H2, an endonuclease that specifically degrades the RNA of RNA:DNA hybrids. Participates in DNA replication, possibly by mediating the removal of lagging-strand Okazaki fragment RNA primers during DNA replication. Mediates the excision of single ribonucleotides from DNA:RNA duplexes.

AlphaFold DB , UniProt , Accession A0A5K4FCJ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 313 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	39	Very low	75.9	Confident	240 Å²	240	97.6 Å²	97.6	100%	1.182	53%	0.527	S	S	*	.				0	118.5	0	-71.6	178.2	-178.6	0	0	105.9	D3	M1-D3 PolarHBondContact O-N 3.16Å
2	H	52.9	Low	77.2	Confident	189 Å²	189	99.6 Å²	99.6	88%	0.875	53%	0.53	S	S	*	.			trans	-63	119.8	170.4	-69.3	-78.2	0	0	0	106.8	C4	H2-C4 PolarHBondContact O-N 3.04Å
3	D	56.8	Low	78	Confident	110 Å²	110	97.2 Å²	97.2	59%	0.588	52%	0.517	S	S	*	.			trans	-64.9	98.9	175.7	-174.1	-0.5	0	0	0	107.7	M1 S5	M1-D3 PolarHBondContact O-N 3.16Å; D3-S5 VanDerWaalsContact CG-OG 3.29Å; D3-S5 PolarHBondContact O-N 3.25Å; D3-S5 WeakPolarHBondContact OD1-CB 3.36Å; D3-S5 PolarHBondContact OD1-N 3.46Å; D3-S5 PolarHBondContact OD1-OG 3.42Å; D3-S5 PolarHBondContact OD2-OG 2.86Å
4	C	67.5	Low	78.9	Confident	123 Å²	123	90.6 Å²	90.6	83%	0.831	48%	0.483	S	S	*	.			trans	-84	48.7	179.7	-148.2	0	0	0	0	109.6	H2 S6	H2-C4 PolarHBondContact O-N 3.04Å; C4-S6 PolarHBondContact O-N 2.89Å
5	S	78.3	Confident	79.7	Confident	46 Å²	46	91.5 Å²	91.5	32%	0.322	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-70.6	120.1	177.4	-81.5	0	0	0	0	109.5	D3 K66	D3-S5 VanDerWaalsContact CG-OG 3.29Å; D3-S5 PolarHBondContact O-N 3.25Å; D3-S5 WeakPolarHBondContact OD1-CB 3.36Å; D3-S5 PolarHBondContact OD1-N 3.46Å; D3-S5 PolarHBondContact OD1-OG 3.42Å; D3-S5 PolarHBondContact OD2-OG 2.86Å; S5-K66 VanDerWaalsContact O-CD 3.3Å; S5-K66 WeakPolarHBondContact O-CD 3.43Å; S5-K66 WeakPolarHBondContact O-CE 3.28Å
6	S	84.9	Confident	80.4	Confident	59 Å²	59	96 Å²	96	41%	0.413	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-102.7	139.4	175.4	-71.9	0	0	0	0	110.7	C4	C4-S6 PolarHBondContact O-N 2.89Å
7	V	88.7	Confident	81.1	Confident	26 Å²	26	95 Å²	95	16%	0.158	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.8	178.9	-175.5	0	0	0	0	109	W59 L61 K66 M71 Y72	V7-W59 HydrophobicContact CG2-CB 4.47Å; V7-W59 HydrophobicContact CG2-CD2 4.44Å; V7-W59 HydrophobicContact CG2-CG 4.05Å; V7-L61 HydrophobicContact CG2-CD1 4.24Å; V7-L61 HydrophobicContact CG2-CD2 4.1Å; V7-K66 HydrophobicContact CG2-CD 4.21Å; V7-M71 HydrophobicContact CB-CB 4.33Å; V7-M71 HydrophobicContact CB-CG 4.17Å; V7-M71 HydrophobicContact CG1-CB 4.42Å; V7-M71 HydrophobicContact CG1-CG 3.87Å; V7-M71 HydrophobicContact CG1-SD 3.91Å; V7-M71 CarbonylContact O-C 3.54Å; V7-M71 WeakPolarHBondContact O-CA 3.26Å; V7-Y72 PolarHBondContact O-N 2.9Å
8	F	90.8	Very high	81.6	Confident	96 Å²	96	94.7 Å²	94.7	42%	0.421	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.7	178.8	-73.9	-99.7	0	0	0	111	I10 I49 Y72	F8-I10 HydrophobicContact CB-CG2 4.23Å; F8-I49 HydrophobicContact CE1-CG2 4.18Å; F8-Y72 CarbonylContact C-O 3.49Å; F8-Y72 VanDerWaalsContact CA-O 3.29Å; F8-Y72 WeakPolarHBondContact CA-O 3.41Å; F8-Y72 HydrophobicContact CD1-CD2 4.37Å; F8-Y72 HydrophobicContact CD1-CG 4.11Å; F8-Y72 HydrophobicContact CD2-CD2 4.37Å; F8-Y72 VanDerWaalsContact CE1-CB 3.45Å; F8-Y72 HydrophobicContact CE1-CD1 4.41Å; F8-Y72 AromaticContact CE1-CD2 3.9Å; F8-Y72 HydrophobicContact CE1-CD2 3.9Å; F8-Y72 AromaticContact CE1-CG 3.68Å; F8-Y72 HydrophobicContact CE1-CG 3.68Å; F8-Y72 AromaticContact CE2-CD2 3.93Å; F8-Y72 HydrophobicContact CE2-CD2 3.93Å; F8-Y72 AromaticContact CZ-CD2 3.66Å; F8-Y72 HydrophobicContact CZ-CD2 3.66Å; F8-Y72 HydrophobicContact CZ-CE2 4.24Å; F8-Y72 AromaticContact CZ-CG 3.92Å; F8-Y72 HydrophobicContact CZ-CG 3.92Å
9	L	91.9	Very high	82.2	Confident	91 Å²	91	95.5 Å²	95.5	48%	0.476	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	107.6	159.4	-62.4	-177.1	0	0	0	108.1	M71 Y72 V73 C74	L9-M71 HydrophobicContact CD1-CE 3.46Å; L9-M71 VanDerWaalsContact CD1-CE 3.46Å; L9-M71 HydrophobicContact CD1-SD 3.83Å; L9-M71 HydrophobicContact CD2-SD 3.9Å; L9-M71 HydrophobicContact CG-CE 3.85Å; L9-M71 HydrophobicContact CG-CG 4.29Å; L9-M71 HydrophobicContact CG-SD 3.49Å; L9-M71 WeakPolarHBondContact CG-SD 3.49Å; L9-Y72 PolarHBondContact N-O 2.76Å; L9-V73 HydrophobicContact CB-CG1 4.47Å; L9-V73 HydrophobicContact CD1-CG2 4.11Å; L9-C74 WeakPolarHBondContact O-CB 3.23Å; L9-C74 PolarHBondContact O-N 3.4Å
10	I	92.5	Very high	82.7	Confident	61 Å²	61	96.7 Å²	96.7	31%	0.313	51%	0.508	S	S	.	.			trans	-119.4	149.1	-179.9	43.7	166.1	0	0	0	110.8	F8 I15 M38 C74	F8-I10 HydrophobicContact CB-CG2 4.23Å; I10-I15 HydrophobicContact CD1-CB 4.38Å; I10-I15 HydrophobicContact CD1-CD1 4.37Å; I10-I15 HydrophobicContact CD1-CG1 3.37Å; I10-I15 HydrophobicContact CG1-CD1 4.02Å; I10-I15 HydrophobicContact CG1-CG1 3.51Å; I10-M38 HydrophobicContact CG2-CE 4.42Å; I10-M38 HydrophobicContact CG2-SD 4.35Å; I10-C74 HydrophobicContact CG2-CB 4.09Å; I10-C74 WeakPolarHBondContact CG2-SG 3.46Å
11	P	91.5	Very high	83.2	Confident	33 Å²	33	93.5 Å²	93.5	21%	0.214	49%	0.493	C	S	.	.			trans	-53.3	144.9	172.3	-22.7	30.4	0	0	0	112.2	N13 A14 I15 M38 F47	P11-N13 VanDerWaalsContact C-N 3.27Å; P11-N13 PolarHBondContact O-N 2.86Å; P11-A14 WeakPolarHBondContact O-CB 3.38Å; P11-A14 PolarHBondContact O-N 3.3Å; P11-I15 PolarHBondContact O-N 2.67Å; P11-M38 HydrophobicContact CG-CE 4.39Å; P11-F47 HydrophobicContact CB-CE1 4.25Å; P11-F47 HydrophobicContact CB-CZ 4.21Å; P11-F47 HydrophobicContact CG-CD1 3.63Å; P11-F47 HydrophobicContact CG-CD2 4.45Å; P11-F47 HydrophobicContact CG-CE1 3.26Å; P11-F47 HydrophobicContact CG-CE2 4.14Å; P11-F47 HydrophobicContact CG-CG 4.22Å; P11-F47 HydrophobicContact CG-CZ 3.56Å
12	E	91.2	Very high	85.8	Confident	121 Å²	121	84.6 Å²	84.6	57%	0.565	45%	0.454	S	S	*	.	H	α-helix	trans	-58.6	-36.2	-175.3	-170.8	176.7	-176.7	0	0	113.3	A14 I15 R16	E12-A14 VanDerWaalsContact C-N 3.34Å; E12-A14 PolarHBondContact O-N 3.33Å; E12-I15 WeakPolarHBondContact O-CB 3.46Å; E12-I15 PolarHBondContact O-N 2.99Å; E12-R16 WeakPolarHBondContact O-CG 3.37Å; E12-R16 PolarHBondContact O-N 3.28Å; E12-R16 IonicContact OE1-CZ 2.78Å; E12-R16 IonicContact OE1-NE 3.56Å; E12-R16 PolarHBondContact OE1-NE 3.48Å; E12-R16 IonicContact OE1-NH2 2.88Å; E12-R16 PolarHBondContact OE1-NH2 3.31Å; E12-R16 IonicContact OE2-NH2 2.77Å
13	N	88.6	Confident	87.6	Confident	69 Å²	69	81.4 Å²	81.4	37%	0.369	44%	0.443	S	S	.	.	H	α-helix	trans	-62.3	-41.4	177.1	-67.2	-23.7	0	0	0	112	P11 I15 R16 Q17	P11-N13 VanDerWaalsContact C-N 3.27Å; P11-N13 PolarHBondContact O-N 2.86Å; N13-I15 VanDerWaalsContact C-N 3.3Å; N13-I15 PolarHBondContact O-N 2.68Å; N13-R16 PolarHBondContact O-N 3.03Å; N13-Q17 PolarHBondContact O-N 3.24Å
14	A	90.3	Very high	89.4	Confident	4 Å²	4	76.9 Å²	76.9	3%	0.033	42%	0.419	C	S	.	.	H	α-helix	trans	-64.7	-34.5	177	0	0	0	0	0	112.1	P11 E12 Q17 P18 C21 M38	P11-A14 WeakPolarHBondContact O-CB 3.38Å; P11-A14 PolarHBondContact O-N 3.3Å; E12-A14 VanDerWaalsContact C-N 3.34Å; E12-A14 PolarHBondContact O-N 3.33Å; A14-Q17 CarbonylContact O-C 3.51Å; A14-P18 WeakPolarHBondContact O-CA 3.22Å; A14-C21 VanDerWaalsContact CB-SG 3.55Å; A14-M38 HydrophobicContact CB-CE 3.95Å; A14-M38 HydrophobicContact CB-SD 4.23Å
15	I	90.7	Very high	90.5	Very high	105 Å²	105	75 Å²	75	54%	0.538	40%	0.397	S	S	.	.	H	α-helix	trans	-65.8	-42.2	173.8	-60.4	171.5	0	0	0	111	I10 P11 E12 N13 P18	I10-I15 HydrophobicContact CD1-CB 4.38Å; I10-I15 HydrophobicContact CD1-CD1 4.37Å; I10-I15 HydrophobicContact CD1-CG1 3.37Å; I10-I15 HydrophobicContact CG1-CD1 4.02Å; I10-I15 HydrophobicContact CG1-CG1 3.51Å; P11-I15 PolarHBondContact O-N 2.67Å; E12-I15 WeakPolarHBondContact O-CB 3.46Å; E12-I15 PolarHBondContact O-N 2.99Å; N13-I15 VanDerWaalsContact C-N 3.3Å; N13-I15 PolarHBondContact O-N 2.68Å; I15-P18 WeakPolarHBondContact O-CD 3.36Å
16	R	91.4	Very high	91.2	Very high	163 Å²	163	73 Å²	73	62%	0.615	38%	0.383	S	S	*	.	H	α-helix	trans	-71	-32.8	-176.9	-70.3	174.8	179.8	-172.4	0.6	112.5	E12 N13	E12-R16 WeakPolarHBondContact O-CG 3.37Å; E12-R16 PolarHBondContact O-N 3.28Å; E12-R16 IonicContact OE1-CZ 2.78Å; E12-R16 IonicContact OE1-NE 3.56Å; E12-R16 PolarHBondContact OE1-NE 3.48Å; E12-R16 IonicContact OE1-NH2 2.88Å; E12-R16 PolarHBondContact OE1-NH2 3.31Å; E12-R16 IonicContact OE2-NH2 2.77Å; N13-R16 PolarHBondContact O-N 3.03Å
17	Q	91.3	Very high	91.5	Very high	79 Å²	79	75.4 Å²	75.4	37%	0.369	39%	0.386	S	S	.	.			trans	-135	63.6	-177.1	-60.8	-169.4	15.6	0	0	112.9	N13 A14 S19 K20 Q42	N13-Q17 PolarHBondContact O-N 3.24Å; A14-Q17 CarbonylContact O-C 3.51Å; Q17-S19 PolarHBondContact O-N 3.36Å; Q17-S19 VanDerWaalsContact O-N 3.07Å; Q17-K20 HydrophobicContact CB-CG 4.3Å; Q17-K20 PolarHBondContact O-N 3.15Å; Q17-Q42 VanDerWaalsContact CD-CD 3.5Å; Q17-Q42 VanDerWaalsContact CD-OE1 3.23Å
18	P	89.8	Confident	91.7	Very high	89 Å²	89	75 Å²	75	58%	0.578	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-61.5	-26.8	-175.4	25.1	-35	0	0	0	113	A14 I15 K20 C21	A14-P18 WeakPolarHBondContact O-CA 3.22Å; I15-P18 WeakPolarHBondContact O-CD 3.36Å; P18-K20 PolarHBondContact O-N 2.98Å; P18-K20 VanDerWaalsContact O-N 3.16Å; P18-C21 PolarHBondContact O-N 2.85Å
19	S	93	Very high	91.9	Very high	111 Å²	111	70.8 Å²	70.8	78%	0.776	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-63.1	-15.9	175.6	66.1	0	0	0	0	114.9	Q17	Q17-S19 PolarHBondContact O-N 3.36Å; Q17-S19 VanDerWaalsContact O-N 3.07Å
20	K	92.6	Very high	91.9	Very high	118 Å²	118	69 Å²	69	51%	0.513	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-96.8	-5.1	176.4	-63.2	-61.5	-173.2	178.3	0	112.6	Q17 P18 G41 Q42	Q17-K20 HydrophobicContact CB-CG 4.3Å; Q17-K20 PolarHBondContact O-N 3.15Å; P18-K20 PolarHBondContact O-N 2.98Å; P18-K20 VanDerWaalsContact O-N 3.16Å; K20-G41 WeakPolarHBondContact O-CA 3.35Å; K20-G41 PolarHBondContact O-N 3.11Å; K20-Q42 HydrophobicContact CB-CB 4.46Å
21	C	93.7	Very high	91.8	Very high	31 Å²	31	67.8 Å²	67.8	21%	0.209	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	140.9	177.5	-56.8	0	0	0	0	110.3	A14 P18 M38 W39	A14-C21 VanDerWaalsContact CB-SG 3.55Å; P18-C21 PolarHBondContact O-N 2.85Å; C21-M38 HydrophobicContact CB-CG 4.26Å; C21-M38 HydrophobicContact CB-SD 4.29Å; C21-W39 CarbonylContact C-O 3.55Å; C21-W39 WeakPolarHBondContact CA-O 3.5Å
22	S	92.7	Very high	91.7	Very high	52 Å²	52	69.1 Å²	69.1	36%	0.364	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.6	175.2	58.1	0	0	0	0	110.6	W39	S22-W39 PolarHBondContact N-O 3.28Å; S22-W39 PolarHBondContact O-N 3.25Å
23	L	92.6	Very high	91.7	Very high	122 Å²	122	64.9 Å²	64.9	64%	0.639	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	133.4	170.3	-66.5	176.6	0	0	0	109.7	Y37 M38 I49	L23-Y37 CarbonylContact C-O 3.48Å; L23-Y37 WeakPolarHBondContact CA-O 3.41Å; L23-M38 HydrophobicContact CD2-CB 4.45Å; L23-I49 HydrophobicContact CD2-CD1 3.41Å; L23-I49 VanDerWaalsContact CD2-CD1 3.41Å
24	V	92.8	Very high	91.8	Very high	15 Å²	15	63.5 Å²	63.5	9%	0.091	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.6	180	-54.8	0	0	0	0	109.4	L26 Y37 W39 L46 V109	V24-L26 HydrophobicContact CG2-CD1 4.25Å; V24-L26 HydrophobicContact CG2-CG 4.49Å; V24-Y37 PolarHBondContact N-O 3.32Å; V24-Y37 PolarHBondContact O-N 3.34Å; V24-W39 HydrophobicContact CG1-CB 4.09Å; V24-L46 HydrophobicContact CG2-CD1 3.89Å; V24-V109 HydrophobicContact CG1-CG2 3.9Å
25	K	92	Very high	91.9	Very high	83 Å²	83	63.6 Å²	63.6	36%	0.361	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	117.4	-179.9	-172.2	169	-178.8	166.3	0	108.5	P34 C35 L36 D257 E260	K25-P34 HydrophobicContact CD-CB 4.39Å; K25-P34 HydrophobicContact CG-CB 4.28Å; K25-C35 WeakPolarHBondContact CA-O 3.31Å; K25-L36 HydrophobicContact CB-CD2 4.48Å; K25-D257 IonicContact NZ-OD2 2.89Å; K25-D257 PolarHBondContact NZ-OD2 3.48Å; K25-E260 IonicContact NZ-OE1 2.92Å; K25-E260 PolarHBondContact NZ-OE1 3.45Å
26	L	92.2	Very high	92	Very high	4 Å²	4	60 Å²	60	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.3	-179.5	-68.2	168.9	0	0	0	109.7	V24 C35 Y37 L46 F82 C106 F110	V24-L26 HydrophobicContact CG2-CD1 4.25Å; V24-L26 HydrophobicContact CG2-CG 4.49Å; L26-C35 PolarHBondContact N-O 3.35Å; L26-C35 VanDerWaalsContact N-O 3.07Å; L26-C35 PolarHBondContact O-N 3.2Å; L26-Y37 HydrophobicContact CB-CD2 3.68Å; L26-Y37 HydrophobicContact CB-CE2 3.64Å; L26-Y37 HydrophobicContact CD1-CD2 4.13Å; L26-Y37 HydrophobicContact CD1-CG 4.38Å; L26-Y37 HydrophobicContact CG-CD2 4.25Å; L26-L46 HydrophobicContact CD1-CD2 3.99Å; L26-F82 HydrophobicContact CB-CE1 3.92Å; L26-F82 HydrophobicContact CB-CZ 4.46Å; L26-F82 HydrophobicContact CD1-CE1 4.08Å; L26-F82 HydrophobicContact CD1-CE2 4.45Å; L26-F82 HydrophobicContact CD1-CZ 3.96Å; L26-C106 HydrophobicContact CD2-CB 3.79Å; L26-C106 WeakPolarHBondContact CD2-SG 3.43Å; L26-F110 HydrophobicContact CD1-CE2 4.41Å; L26-F110 HydrophobicContact CD1-CZ 3.88Å; L26-F110 HydrophobicContact CD2-CE2 4.09Å; L26-F110 HydrophobicContact CD2-CZ 4.28Å
27	K	92.1	Very high	92.1	Very high	111 Å²	111	52.2 Å²	52.2	48%	0.483	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	131.9	172.2	-69.6	-176.6	167	-165.4	0	110.1	D32 V33 F82	K27-D32 IonicContact NZ-OD2 2.78Å; K27-D32 PolarHBondContact NZ-OD2 3.49Å; K27-V33 CarbonylContact C-O 3.57Å; K27-V33 WeakPolarHBondContact CA-O 3.49Å; K27-F82 WeakPolarHBondContact O-CE1 3.46Å
28	H	93.2	Very high	92.3	Very high	18 Å²	18	49.2 Å²	49.2	8%	0.083	27%	0.269	C	S	.	.			trans	-59.8	131.4	175.7	-177.1	-102.7	0	0	0	110.9	R30 S31 D32 V33 C35 D220 Y221	H28-R30 VanDerWaalsContact C-N 3.25Å; H28-R30 PolarHBondContact ND1-N 3.35Å; H28-R30 PolarHBondContact O-N 3.4Å; H28-R30 VanDerWaalsContact O-N 3.09Å; H28-S31 WeakPolarHBondContact CB-OG 3.48Å; H28-S31 PolarHBondContact ND1-N 3.24Å; H28-S31 PolarHBondContact ND1-OG 2.85Å; H28-S31 PolarHBondContact O-N 3.48Å; H28-D32 WeakPolarHBondContact O-CA 3.05Å; H28-D32 PolarHBondContact O-N 3.35Å; H28-V33 PolarHBondContact N-O 2.91Å; H28-C35 HydrophobicContact CB-CB 4.48Å; H28-D220 PolarHBondContact CE1-O 3.13Å; H28-Y221 AromaticContact NE2-CD1 3.83Å
29	P	93.4	Very high	92.5	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.039	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-35.7	-171.7	-31.5	37	0	0	0	115.4	F81 F82 S85 Y221	P29-F81 HydrophobicContact CB-CB 4.01Å; P29-F81 HydrophobicContact CG-CB 3.78Å; P29-F82 HydrophobicContact CG-CD1 3.86Å; P29-F82 HydrophobicContact CG-CE1 3.92Å; P29-F82 HydrophobicContact CG-CG 4.27Å; P29-F82 HydrophobicContact CG-CZ 4.36Å; P29-S85 WeakPolarHBondContact O-CB 3.49Å; P29-S85 PolarHBondContact O-OG 2.99Å; P29-Y221 WeakPolarHBondContact CB-O 3.28Å; P29-Y221 HydrophobicContact CG-CD1 4.23Å
30	R	93.3	Very high	92.5	Very high	53 Å²	53	40.6 Å²	40.6	20%	0.2	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-48.7	-179.1	-179.1	172.6	66.7	85.2	3	114	H28 D220 L222 M246	H28-R30 VanDerWaalsContact C-N 3.25Å; H28-R30 PolarHBondContact ND1-N 3.35Å; H28-R30 PolarHBondContact O-N 3.4Å; H28-R30 VanDerWaalsContact O-N 3.09Å; R30-D220 WeakPolarHBondContact CB-O 3.22Å; R30-D220 VanDerWaalsContact CD-O 3.27Å; R30-D220 WeakPolarHBondContact CD-O 3.34Å; R30-D220 PolarHBondContact NE-O 3.24Å; R30-L222 WeakPolarHBondContact CD-O 3.33Å; R30-L222 WeakPolarHBondContact CG-O 3.3Å; R30-M246 VanDerWaalsContact NH1-CG 3.33Å
31	S	89.8	Confident	92.5	Very high	36 Å²	36	36.4 Å²	36.4	25%	0.252	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-11.7	-167.1	53.6	0	0	0	0	113.2	H28 V33	H28-S31 WeakPolarHBondContact CB-OG 3.48Å; H28-S31 PolarHBondContact ND1-N 3.24Å; H28-S31 PolarHBondContact ND1-OG 2.85Å; H28-S31 PolarHBondContact O-N 3.48Å; S31-V33 PolarHBondContact O-N 2.75Å
32	D	89.3	Confident	92.4	Very high	62 Å²	62	39 Å²	39	33%	0.332	21%	0.207	S	C	.	.			trans	61.1	8.8	-175.4	-147.2	70	0	0	0	114	K27 H28 K89	K27-D32 IonicContact NZ-OD2 2.78Å; K27-D32 PolarHBondContact NZ-OD2 3.49Å; H28-D32 WeakPolarHBondContact O-CA 3.05Å; H28-D32 PolarHBondContact O-N 3.35Å; D32-K89 IonicContact OD1-NZ 2.75Å; D32-K89 PolarHBondContact OD1-NZ 3.16Å
33	V	91.1	Very high	92.4	Very high	31 Å²	31	38.1 Å²	38.1	19%	0.188	20%	0.201	C	C	.	.			trans	-79.1	139	178.1	173.2	0	0	0	0	109.7	K27 H28 S31 C35 I251	K27-V33 CarbonylContact C-O 3.57Å; K27-V33 WeakPolarHBondContact CA-O 3.49Å; H28-V33 PolarHBondContact N-O 2.91Å; S31-V33 PolarHBondContact O-N 2.75Å; V33-C35 PolarHBondContact O-N 3.26Å; V33-I251 HydrophobicContact CB-CD1 4.48Å; V33-I251 HydrophobicContact CG1-CD1 3.76Å; V33-I251 HydrophobicContact CG2-CD1 3.95Å; V33-I251 HydrophobicContact CG2-CG1 4.28Å
34	P	91.2	Very high	92.5	Very high	40 Å²	40	35.1 Å²	35.1	26%	0.26	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	124.9	174.2	-18.8	31.4	0	0	0	112.5	K25	K25-P34 HydrophobicContact CD-CB 4.39Å; K25-P34 HydrophobicContact CG-CB 4.28Å
35	C	91.9	Very high	92.5	Very high	6 Å²	6	36.6 Å²	36.6	4%	0.041	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	159.4	179.4	-69.7	0	0	0	0	110.7	K25 L26 H28 V33 Y37 N255	K25-C35 WeakPolarHBondContact CA-O 3.31Å; L26-C35 PolarHBondContact N-O 3.35Å; L26-C35 VanDerWaalsContact N-O 3.07Å; L26-C35 PolarHBondContact O-N 3.2Å; H28-C35 HydrophobicContact CB-CB 4.48Å; V33-C35 PolarHBondContact O-N 3.26Å; C35-Y37 HydrophobicContact CB-CE2 3.67Å; C35-N255 PolarHBondContact SG-O 3.31Å
36	L	93	Very high	92.7	Very high	30 Å²	30	32.9 Å²	32.9	16%	0.157	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	137.7	176.7	-71.6	178.8	0	0	0	111	K25 I49 N255 D257 P258	K25-L36 HydrophobicContact CB-CD2 4.48Å; L36-I49 HydrophobicContact CB-CD1 4.33Å; L36-I49 PolarHBondContact O-N 3.4Å; L36-N255 PolarHBondContact N-OD1 3.43Å; L36-N255 PolarHBondContact O-ND2 3.05Å; L36-N255 PolarHBondContact O-OD1 3.31Å; L36-D257 HydrophobicContact CG-CB 4.34Å; L36-P258 VanDerWaalsContact CD1-CD 3.44Å; L36-P258 HydrophobicContact CD1-CG 4.43Å
37	Y	94.1	Very high	92.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156.8	175.7	-61.5	-94.7	0	0	0	109	L23 V24 L26 C35 L46 F47 E48 I77 F82	L23-Y37 CarbonylContact C-O 3.48Å; L23-Y37 WeakPolarHBondContact CA-O 3.41Å; V24-Y37 PolarHBondContact N-O 3.32Å; V24-Y37 PolarHBondContact O-N 3.34Å; L26-Y37 HydrophobicContact CB-CD2 3.68Å; L26-Y37 HydrophobicContact CB-CE2 3.64Å; L26-Y37 HydrophobicContact CD1-CD2 4.13Å; L26-Y37 HydrophobicContact CD1-CG 4.38Å; L26-Y37 HydrophobicContact CG-CD2 4.25Å; C35-Y37 HydrophobicContact CB-CE2 3.67Å; Y37-L46 HydrophobicContact CD1-CG 4.42Å; Y37-F47 CarbonylContact C-O 3.59Å; Y37-F47 WeakPolarHBondContact CA-O 3.36Å; Y37-F47 VanDerWaalsContact CB-O 3.3Å; Y37-F47 WeakPolarHBondContact CB-O 3.2Å; Y37-E48 HydrophobicContact CD1-CB 3.94Å; Y37-E48 HydrophobicContact CD1-CG 4.18Å; Y37-E48 HydrophobicContact CE1-CB 3.78Å; Y37-E48 HydrophobicContact CE1-CG 3.71Å; Y37-I77 HydrophobicContact CD1-CG2 4.11Å; Y37-I77 HydrophobicContact CE1-CD1 3.88Å; Y37-I77 HydrophobicContact CE1-CG2 4.22Å; Y37-F82 HydrophobicContact CD1-CZ 4.24Å; Y37-F82 HydrophobicContact CE1-CE1 4.43Å; Y37-F82 AromaticContact CE1-CZ 3.66Å; Y37-F82 HydrophobicContact CE1-CZ 3.66Å; Y37-F82 HydrophobicContact CE2-CE1 4.23Å; Y37-F82 HydrophobicContact CE2-CZ 4.14Å; Y37-F82 AromaticContact CZ-CE1 3.91Å; Y37-F82 AromaticContact CZ-CZ 3.59Å
38	M	94.1	Very high	93	Very high	15 Å²	15	28 Å²	28	7%	0.074	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.6	170.8	-178.2	-175.8	68.1	0	0	108.3	I10 P11 A14 C21 L23 F47 I49 C74	I10-M38 HydrophobicContact CG2-CE 4.42Å; I10-M38 HydrophobicContact CG2-SD 4.35Å; P11-M38 HydrophobicContact CG-CE 4.39Å; A14-M38 HydrophobicContact CB-CE 3.95Å; A14-M38 HydrophobicContact CB-SD 4.23Å; C21-M38 HydrophobicContact CB-CG 4.26Å; C21-M38 HydrophobicContact CB-SD 4.29Å; L23-M38 HydrophobicContact CD2-CB 4.45Å; M38-F47 HydrophobicContact CB-CB 4.34Å; M38-F47 HydrophobicContact CE-CB 4.07Å; M38-F47 HydrophobicContact CE-CD2 3.76Å; M38-F47 HydrophobicContact CE-CE2 4.47Å; M38-F47 HydrophobicContact CE-CG 3.97Å; M38-F47 PolarHBondContact N-O 3.17Å; M38-F47 PolarHBondContact O-N 3.05Å; M38-I49 HydrophobicContact CB-CD1 4.18Å; M38-I49 HydrophobicContact CB-CG1 4.37Å; M38-C74 HydrophobicContact CE-CB 4.32Å
39	W	94.5	Very high	93.1	Very high	19 Å²	19	27.8 Å²	27.8	7%	0.072	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.7	166.9	170.8	-115.6	0	0	0	109.1	C21 S22 V24 L44 E45 L46 V109 N112 I113	C21-W39 CarbonylContact C-O 3.55Å; C21-W39 WeakPolarHBondContact CA-O 3.5Å; S22-W39 PolarHBondContact N-O 3.28Å; S22-W39 PolarHBondContact O-N 3.25Å; V24-W39 HydrophobicContact CG1-CB 4.09Å; W39-L44 VanDerWaalsContact CH2-CA 3.42Å; W39-L44 HydrophobicContact CH2-CB 3.89Å; W39-L44 HydrophobicContact CH2-CD2 4.2Å; W39-L44 WeakPolarHBondContact CH2-O 3.37Å; W39-L44 HydrophobicContact CZ2-CB 4.32Å; W39-L44 HydrophobicContact CZ2-CD2 3.79Å; W39-L44 WeakPolarHBondContact CZ3-O 3.09Å; W39-E45 VanDerWaalsContact CE3-O 3.24Å; W39-L46 HydrophobicContact CB-CD1 4.46Å; W39-L46 HydrophobicContact CE3-CB 4.48Å; W39-V109 HydrophobicContact CB-CG1 4.48Å; W39-V109 HydrophobicContact CB-CG2 4.46Å; W39-V109 HydrophobicContact CD2-CG1 3.87Å; W39-V109 HydrophobicContact CE3-CG1 3.58Å; W39-V109 HydrophobicContact CG-CG1 4.29Å; W39-V109 HydrophobicContact CG-CG2 4.35Å; W39-V109 HydrophobicContact CZ3-CG1 4.02Å; W39-N112 HydrophobicContact CH2-CB 4.35Å; W39-N112 HydrophobicContact CZ2-CB 3.87Å; W39-I113 HydrophobicContact CH2-CG1 3.62Å; W39-I113 HydrophobicContact CZ3-CD1 4.08Å; W39-I113 HydrophobicContact CZ3-CG1 3.65Å
40	D	94	Very high	93	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	102.9	170.6	176.9	6.2	0	0	0	109.5	Q42 S43 L44 E45 F47	D40-Q42 PolarHBondContact O-N 2.8Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.31Å; D40-Q42 PolarHBondContact OD1-N 2.87Å; D40-S43 WeakPolarHBondContact CB-OG 3.35Å; D40-S43 PolarHBondContact O-N 2.94Å; D40-S43 PolarHBondContact OD1-N 2.92Å; D40-S43 WeakPolarHBondContact OD2-CB 3.36Å; D40-S43 PolarHBondContact OD2-OG 2.98Å; D40-L44 VanDerWaalsContact O-CA 3.26Å; D40-L44 WeakPolarHBondContact O-CA 3.4Å; D40-L44 PolarHBondContact O-N 3.16Å; D40-E45 PolarHBondContact N-O 3.22Å; D40-E45 PolarHBondContact O-N 3.42Å; D40-F47 HydrophobicContact CB-CD2 4.42Å; D40-F47 HydrophobicContact CB-CE2 3.94Å
41	G	92.3	Very high	92.9	Very high	29 Å²	29	29.1 Å²	29.1	30%	0.299	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-8	179.6	0	0	0	0	0	114.7	K20 L44	K20-G41 WeakPolarHBondContact O-CA 3.35Å; K20-G41 PolarHBondContact O-N 3.11Å; G41-L44 WeakPolarHBondContact O-CD2 3.45Å
42	Q	91.6	Very high	92.8	Very high	85 Å²	85	30.3 Å²	30.3	40%	0.397	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-52.2	173.1	-175.3	179.1	16.9	0	0	111.3	Q17 K20 D40 L44	Q17-Q42 VanDerWaalsContact CD-CD 3.5Å; Q17-Q42 VanDerWaalsContact CD-OE1 3.23Å; K20-Q42 HydrophobicContact CB-CB 4.46Å; D40-Q42 PolarHBondContact O-N 2.8Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.31Å; D40-Q42 PolarHBondContact OD1-N 2.87Å; Q42-L44 VanDerWaalsContact C-N 3.3Å
43	S	92.5	Very high	92.5	Very high	34 Å²	34	31.6 Å²	31.6	24%	0.238	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-16	177.9	60.6	0	0	0	0	113	D40 E45	D40-S43 WeakPolarHBondContact CB-OG 3.35Å; D40-S43 PolarHBondContact O-N 2.94Å; D40-S43 PolarHBondContact OD1-N 2.92Å; D40-S43 WeakPolarHBondContact OD2-CB 3.36Å; D40-S43 PolarHBondContact OD2-OG 2.98Å; S43-E45 VanDerWaalsContact C-N 3.3Å; S43-E45 WeakPolarHBondContact OG-CB 3.34Å
44	L	93.8	Very high	91.7	Very high	59 Å²	59	33.9 Å²	33.9	31%	0.309	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	40.7	-172.5	-53.4	173.1	0	0	0	111.7	W39 D40 G41 Q42 N112 P114	W39-L44 VanDerWaalsContact CH2-CA 3.42Å; W39-L44 HydrophobicContact CH2-CB 3.89Å; W39-L44 HydrophobicContact CH2-CD2 4.2Å; W39-L44 WeakPolarHBondContact CH2-O 3.37Å; W39-L44 HydrophobicContact CZ2-CB 4.32Å; W39-L44 HydrophobicContact CZ2-CD2 3.79Å; W39-L44 WeakPolarHBondContact CZ3-O 3.09Å; D40-L44 VanDerWaalsContact O-CA 3.26Å; D40-L44 WeakPolarHBondContact O-CA 3.4Å; D40-L44 PolarHBondContact O-N 3.16Å; G41-L44 WeakPolarHBondContact O-CD2 3.45Å; Q42-L44 VanDerWaalsContact C-N 3.3Å; L44-N112 HydrophobicContact CD2-CB 4.48Å; L44-P114 HydrophobicContact CD1-CG 3.8Å
45	E	93.7	Very high	91.1	Very high	47 Å²	47	39.6 Å²	39.6	22%	0.22	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.7	-175.7	-61.7	-179.5	146.8	0	0	111.9	W39 D40 S43 F47 R76	W39-E45 VanDerWaalsContact CE3-O 3.24Å; D40-E45 PolarHBondContact N-O 3.22Å; D40-E45 PolarHBondContact O-N 3.42Å; S43-E45 VanDerWaalsContact C-N 3.3Å; S43-E45 WeakPolarHBondContact OG-CB 3.34Å; E45-F47 HydrophobicContact CB-CE2 3.65Å; E45-F47 HydrophobicContact CB-CZ 3.89Å; E45-F47 WeakPolarHBondContact OE2-CZ 3.5Å; E45-R76 IonicContact OE1-CZ 3.52Å; E45-R76 IonicContact OE1-NE 2.72Å; E45-R76 PolarHBondContact OE1-NE 3.29Å; E45-R76 IonicContact OE1-NH1 3.08Å; E45-R76 PolarHBondContact OE1-NH1 3.04Å; E45-R76 IonicContact OE1-NH2 2.68Å; E45-R76 PolarHBondContact OE1-NH2 3.17Å; E45-R76 IonicContact OE2-CZ 3.71Å; E45-R76 IonicContact OE2-NE 2.75Å; E45-R76 PolarHBondContact OE2-NE 2.83Å; E45-R76 IonicContact OE2-NH1 2.97Å; E45-R76 IonicContact OE2-NH2 3.23Å; E45-R76 PolarHBondContact OE2-NH2 2.9Å
46	L	94.8	Very high	90.5	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.3	177.7	-170.3	65.6	0	0	0	109.9	V24 L26 Y37 W39 I77 F82 V109 F110	V24-L46 HydrophobicContact CG2-CD1 3.89Å; L26-L46 HydrophobicContact CD1-CD2 3.99Å; Y37-L46 HydrophobicContact CD1-CG 4.42Å; W39-L46 HydrophobicContact CB-CD1 4.46Å; W39-L46 HydrophobicContact CE3-CB 4.48Å; L46-I77 HydrophobicContact CB-CG2 4.04Å; L46-I77 HydrophobicContact CD2-CG2 3.88Å; L46-I77 HydrophobicContact CG-CG2 3.75Å; L46-I77 WeakPolarHBondContact O-CG2 3.49Å; L46-I77 PolarHBondContact O-N 3.41Å; L46-F82 HydrophobicContact CD2-CD2 4.49Å; L46-F82 HydrophobicContact CD2-CE2 3.64Å; L46-F82 HydrophobicContact CD2-CZ 4.14Å; L46-V109 HydrophobicContact CD1-CG1 4.16Å; L46-F110 HydrophobicContact CD2-CE1 4.33Å
47	F	95.5	Very high	90	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.035	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.9	178.8	-60.4	-91.7	0	0	0	110.2	P11 Y37 M38 D40 E45 C74 S75 R76	P11-F47 HydrophobicContact CB-CE1 4.25Å; P11-F47 HydrophobicContact CB-CZ 4.21Å; P11-F47 HydrophobicContact CG-CD1 3.63Å; P11-F47 HydrophobicContact CG-CD2 4.45Å; P11-F47 HydrophobicContact CG-CE1 3.26Å; P11-F47 HydrophobicContact CG-CE2 4.14Å; P11-F47 HydrophobicContact CG-CG 4.22Å; P11-F47 HydrophobicContact CG-CZ 3.56Å; Y37-F47 CarbonylContact C-O 3.59Å; Y37-F47 WeakPolarHBondContact CA-O 3.36Å; Y37-F47 VanDerWaalsContact CB-O 3.3Å; Y37-F47 WeakPolarHBondContact CB-O 3.2Å; M38-F47 HydrophobicContact CB-CB 4.34Å; M38-F47 HydrophobicContact CE-CB 4.07Å; M38-F47 HydrophobicContact CE-CD2 3.76Å; M38-F47 HydrophobicContact CE-CE2 4.47Å; M38-F47 HydrophobicContact CE-CG 3.97Å; M38-F47 PolarHBondContact N-O 3.17Å; M38-F47 PolarHBondContact O-N 3.05Å; D40-F47 HydrophobicContact CB-CD2 4.42Å; D40-F47 HydrophobicContact CB-CE2 3.94Å; E45-F47 HydrophobicContact CB-CE2 3.65Å; E45-F47 HydrophobicContact CB-CZ 3.89Å; E45-F47 WeakPolarHBondContact OE2-CZ 3.5Å; F47-C74 HydrophobicContact CB-CB 4.2Å; F47-S75 CarbonylContact C-O 3.43Å; F47-S75 VanDerWaalsContact CA-O 3.23Å; F47-S75 WeakPolarHBondContact CA-O 3.44Å; F47-R76 HydrophobicContact CD1-CB 4.02Å; F47-R76 HydrophobicContact CE1-CB 3.86Å; F47-R76 HydrophobicContact CE1-CG 4.26Å
48	E	95.2	Very high	89.7	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.028	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	138.2	169.2	-171.9	-176.4	171.7	0	0	110.1	Y37 Q50 C74 S75 I77 Y221 N255	Y37-E48 HydrophobicContact CD1-CB 3.94Å; Y37-E48 HydrophobicContact CD1-CG 4.18Å; Y37-E48 HydrophobicContact CE1-CB 3.78Å; Y37-E48 HydrophobicContact CE1-CG 3.71Å; E48-Q50 VanDerWaalsContact CD-NE2 3.26Å; E48-Q50 HydrophobicContact CG-CG 3.89Å; E48-Q50 PolarHBondContact OE1-NE2 3.49Å; E48-Q50 VanDerWaalsContact OE1-NE2 3.13Å; E48-Q50 PolarHBondContact OE2-NE2 2.87Å; E48-C74 CarbonylContact O-C 3.58Å; E48-C74 VanDerWaalsContact O-CA 3.24Å; E48-C74 WeakPolarHBondContact O-CA 3.4Å; E48-S75 PolarHBondContact N-O 3.04Å; E48-S75 PolarHBondContact O-N 2.68Å; E48-I77 HydrophobicContact CB-CB 4.46Å; E48-Y221 WeakPolarHBondContact OE2-CE1 3.39Å; E48-Y221 PolarHBondContact OE2-OH 3.07Å; E48-N255 WeakPolarHBondContact CG-ND2 3.42Å; E48-N255 PolarHBondContact OE1-ND2 2.83Å
49	I	95.4	Very high	89.3	Confident	12 Å²	12	56.5 Å²	56.5	6%	0.062	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	106.1	178.6	-55.3	178.6	0	0	0	109.8	F8 L23 L36 M38 Y72 N255	F8-I49 HydrophobicContact CE1-CG2 4.18Å; L23-I49 HydrophobicContact CD2-CD1 3.41Å; L23-I49 VanDerWaalsContact CD2-CD1 3.41Å; L36-I49 HydrophobicContact CB-CD1 4.33Å; L36-I49 PolarHBondContact O-N 3.4Å; M38-I49 HydrophobicContact CB-CD1 4.18Å; M38-I49 HydrophobicContact CB-CG1 4.37Å; I49-Y72 HydrophobicContact CG2-CD1 3.98Å; I49-Y72 HydrophobicContact CG2-CG 4.41Å; I49-N255 VanDerWaalsContact O-CB 3.3Å; I49-N255 WeakPolarHBondContact O-CB 3.49Å; I49-N255 PolarHBondContact O-ND2 3.16Å; I49-N255 VanDerWaalsContact O-ND2 3.14Å; I49-N255 PolarHBondContact O-OD1 3.05Å
50	Q	92.6	Very high	89	Confident	56 Å²	56	63 Å²	63	26%	0.262	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.6	-177	-61.9	174.6	-47.1	0	0	110.7	E48 Y72 V73 S75	E48-Q50 VanDerWaalsContact CD-NE2 3.26Å; E48-Q50 HydrophobicContact CG-CG 3.89Å; E48-Q50 PolarHBondContact OE1-NE2 3.49Å; E48-Q50 VanDerWaalsContact OE1-NE2 3.13Å; E48-Q50 PolarHBondContact OE2-NE2 2.87Å; Q50-Y72 CarbonylContact O-C 3.56Å; Q50-Y72 WeakPolarHBondContact O-CA 3.47Å; Q50-V73 PolarHBondContact N-O 2.96Å; Q50-V73 PolarHBondContact O-N 2.8Å; Q50-S75 PolarHBondContact OE1-OG 3.07Å
51	K	91.2	Very high	88.6	Confident	31 Å²	31	66 Å²	66	14%	0.135	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	118.3	173.6	-168.6	-163.1	-178.4	-160	0	109.6	D53 M71 Y72 E254	K51-D53 HydrophobicContact CD-CB 4.35Å; K51-D53 IonicContact NZ-OD2 3.89Å; K51-D53 PolarHBondContact NZ-OD2 3.27Å; K51-M71 CarbonylContact C-O 3.54Å; K51-M71 WeakPolarHBondContact CA-O 3.46Å; K51-Y72 HydrophobicContact CB-CD1 3.73Å; K51-Y72 HydrophobicContact CB-CE1 3.62Å; K51-Y72 HydrophobicContact CD-CE1 4.26Å; K51-Y72 HydrophobicContact CG-CD1 4.1Å; K51-Y72 HydrophobicContact CG-CE1 3.81Å; K51-E254 WeakPolarHBondContact CA-O 3.22Å; K51-E254 WeakPolarHBondContact CB-O 3.44Å; K51-E254 PolarHBondContact N-O 3.5Å; K51-E254 VanDerWaalsContact O-CB 3.25Å; K51-E254 WeakPolarHBondContact O-CB 3.47Å; K51-E254 WeakPolarHBondContact O-CG 3.43Å
52	V	86.8	Confident	88.3	Confident	62 Å²	62	68 Å²	68	38%	0.376	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.4	165.7	-178.9	0	0	0	0	107.9	E54 G70 M71 V73	V52-E54 HydrophobicContact CG1-CG 4.5Å; V52-G70 WeakPolarHBondContact O-CA 3.49Å; V52-M71 PolarHBondContact N-O 2.76Å; V52-M71 PolarHBondContact O-N 3.1Å; V52-V73 HydrophobicContact CG2-CG2 3.75Å
53	D	82.6	Confident	88	Confident	89 Å²	89	73.4 Å²	73.4	48%	0.476	39%	0.389	S	S	.	.			trans	-134.8	98	-177	-160.9	3.2	0	0	0	109.7	K51	K51-D53 HydrophobicContact CD-CB 4.35Å; K51-D53 IonicContact NZ-OD2 3.89Å; K51-D53 PolarHBondContact NZ-OD2 3.27Å
54	E	74.5	Confident	87.7	Confident	79 Å²	79	76.3 Å²	76.3	37%	0.369	40%	0.402	S	S	.	.			trans	-102.7	139.6	178.5	-68.5	-172.5	-170.8	0	0	110.8	V52 R57	V52-E54 HydrophobicContact CG1-CG 4.5Å; E54-R57 HydrophobicContact CB-CG 4.26Å; E54-R57 IonicContact OE2-CZ 3.79Å; E54-R57 IonicContact OE2-NE 3.32Å; E54-R57 PolarHBondContact OE2-NE 3.01Å; E54-R57 IonicContact OE2-NH2 3.97Å; E54-R57 PolarHBondContact OE2-NH2 2.75Å
55	K	78.1	Confident	87.4	Confident	160 Å²	160	79.3 Å²	79.3	70%	0.696	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	142	175.4	-62.5	-178.6	-175.6	176.6	0	110.4	R57 E183	K55-R57 PolarHBondContact O-N 2.78Å; K55-E183 IonicContact NZ-OE1 2.85Å; K55-E183 PolarHBondContact NZ-OE1 3.14Å; K55-E183 IonicContact NZ-OE2 3.01Å
56	C	80.6	Confident	87	Confident	138 Å²	138	78.4 Å²	78.4	93%	0.932	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	36.2	173.1	-52.9	0	0	0	0	115.3
57	R	82.9	Confident	86.6	Confident	109 Å²	109	83 Å²	83	41%	0.411	45%	0.445	S	S	.	.			trans	-111.8	155	168.3	-66.8	-159.5	-174.3	-116	-0.3	111.5	E54 K55 G69 E189	E54-R57 HydrophobicContact CB-CG 4.26Å; E54-R57 IonicContact OE2-CZ 3.79Å; E54-R57 IonicContact OE2-NE 3.32Å; E54-R57 PolarHBondContact OE2-NE 3.01Å; E54-R57 IonicContact OE2-NH2 3.97Å; E54-R57 PolarHBondContact OE2-NH2 2.75Å; K55-R57 PolarHBondContact O-N 2.78Å; R57-G69 WeakPolarHBondContact O-CA 3.47Å; R57-G69 PolarHBondContact O-N 3.02Å; R57-E189 IonicContact NH2-OE2 3.1Å; R57-E189 PolarHBondContact NH2-OE2 2.78Å
58	S	86.1	Confident	86	Confident	72 Å²	72	86 Å²	86	50%	0.503	46%	0.461	S	S	.	.			trans	-146.2	154.8	170.3	61.8	0	0	0	0	109.9	K66	S58-K66 CarbonylContact C-O 3.57Å; S58-K66 WeakPolarHBondContact CA-O 3.46Å; S58-K66 VanDerWaalsContact CB-O 3.31Å; S58-K66 WeakPolarHBondContact CB-O 3.4Å
59	W	87	Confident	85.6	Confident	87 Å²	87	86 Å²	86	33%	0.33	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.4	174.7	-62.3	97.2	0	0	0	110.4	V7 L61 I65 K66 G69 M71	V7-W59 HydrophobicContact CG2-CB 4.47Å; V7-W59 HydrophobicContact CG2-CD2 4.44Å; V7-W59 HydrophobicContact CG2-CG 4.05Å; W59-L61 HydrophobicContact CB-CD2 4.13Å; W59-L61 HydrophobicContact CB-CG 4.19Å; W59-I65 CarbonylContact O-C 3.59Å; W59-I65 WeakPolarHBondContact O-CA 3.39Å; W59-K66 HydrophobicContact CB-CB 4.1Å; W59-K66 PolarHBondContact N-O 3.45Å; W59-K66 PolarHBondContact O-N 2.82Å; W59-G69 VanDerWaalsContact NE1-C 3.3Å; W59-G69 PolarHBondContact NE1-O 3.48Å; W59-M71 HydrophobicContact CH2-CE 4.22Å; W59-M71 HydrophobicContact CH2-SD 3.81Å; W59-M71 HydrophobicContact CZ2-CB 3.92Å; W59-M71 HydrophobicContact CZ2-CE 4.05Å; W59-M71 HydrophobicContact CZ2-CG 4.4Å; W59-M71 HydrophobicContact CZ2-SD 3.63Å
60	M	88	Confident	85.3	Confident	154 Å²	154	85.4 Å²	85.4	76%	0.759	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	109.3	164.8	-66	-178.7	66.1	0	0	108.5
61	L	85	Confident	85.2	Confident	64 Å²	64	84 Å²	84	34%	0.335	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	85	179.3	-58.3	-179.7	0	0	0	108.8	V7 W59 E63 N64 K66	V7-L61 HydrophobicContact CG2-CD1 4.24Å; V7-L61 HydrophobicContact CG2-CD2 4.1Å; W59-L61 HydrophobicContact CB-CD2 4.13Å; W59-L61 HydrophobicContact CB-CG 4.19Å; L61-E63 PolarHBondContact O-N 3.08Å; L61-N64 PolarHBondContact N-O 3.41Å; L61-N64 PolarHBondContact O-N 2.68Å; L61-K66 HydrophobicContact CD1-CB 4.14Å; L61-K66 HydrophobicContact CD1-CD 4.45Å
62	G	85.7	Confident	85.3	Confident	72 Å²	72	84.7 Å²	84.7	74%	0.742	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	-116.3	-170.5	0	0	0	0	0	110.5
63	E	87	Confident	85.6	Confident	199 Å²	199	83.5 Å²	83.5	93%	0.93	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-7.3	176.9	-60.3	-173.4	165.4	0	0	113.3	L61	L61-E63 PolarHBondContact O-N 3.08Å
64	N	85.7	Confident	86.2	Confident	95 Å²	95	79.9 Å²	79.9	51%	0.508	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	146.4	-178.3	-64.4	-53	0	0	0	111.5	L61	L61-N64 PolarHBondContact N-O 3.41Å; L61-N64 PolarHBondContact O-N 2.68Å
65	I	86.8	Confident	87.1	Confident	121 Å²	121	77.7 Å²	77.7	62%	0.621	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	118	172.3	-61	173.6	0	0	0	108.4	W59 S67	W59-I65 CarbonylContact O-C 3.59Å; W59-I65 WeakPolarHBondContact O-CA 3.39Å; I65-S67 PolarHBondContact O-N 3.25Å
66	K	85.9	Confident	87.9	Confident	29 Å²	29	77.5 Å²	77.5	13%	0.126	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	100.5	168.9	-160.3	-165.8	173.7	-130.2	0	108.3	S5 V7 S58 W59 L61 D68 G70	S5-K66 VanDerWaalsContact O-CD 3.3Å; S5-K66 WeakPolarHBondContact O-CD 3.43Å; S5-K66 WeakPolarHBondContact O-CE 3.28Å; V7-K66 HydrophobicContact CG2-CD 4.21Å; S58-K66 CarbonylContact C-O 3.57Å; S58-K66 WeakPolarHBondContact CA-O 3.46Å; S58-K66 VanDerWaalsContact CB-O 3.31Å; S58-K66 WeakPolarHBondContact CB-O 3.4Å; W59-K66 HydrophobicContact CB-CB 4.1Å; W59-K66 PolarHBondContact N-O 3.45Å; W59-K66 PolarHBondContact O-N 2.82Å; L61-K66 HydrophobicContact CD1-CB 4.14Å; L61-K66 HydrophobicContact CD1-CD 4.45Å; K66-D68 VanDerWaalsContact C-N 3.28Å; K66-D68 WeakPolarHBondContact CD-OD1 3.34Å; K66-D68 VanDerWaalsContact CE-CG 3.4Å; K66-D68 WeakPolarHBondContact CE-OD1 3.48Å; K66-D68 WeakPolarHBondContact CE-OD2 3.33Å; K66-D68 WeakPolarHBondContact CG-OD1 3.36Å; K66-D68 IonicContact NZ-OD1 2.72Å; K66-D68 PolarHBondContact NZ-OD1 3.46Å; K66-D68 IonicContact NZ-OD2 3.34Å; K66-D68 PolarHBondContact NZ-OD2 3.16Å; K66-D68 PolarHBondContact O-N 3.5Å; K66-G70 PolarHBondContact NZ-O 3.06Å
67	S	85.9	Confident	88.6	Confident	101 Å²	101	71.3 Å²	71.3	71%	0.706	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-15.2	-171.2	61.2	0	0	0	0	114.8	I65 G69	I65-S67 PolarHBondContact O-N 3.25Å; S67-G69 VanDerWaalsContact C-N 3.34Å
68	D	84.1	Confident	89.2	Confident	70 Å²	70	66.7 Å²	66.7	37%	0.374	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-20.1	-177.8	74.6	-18.7	0	0	0	113.1	K66 G70	K66-D68 VanDerWaalsContact C-N 3.28Å; K66-D68 WeakPolarHBondContact CD-OD1 3.34Å; K66-D68 VanDerWaalsContact CE-CG 3.4Å; K66-D68 WeakPolarHBondContact CE-OD1 3.48Å; K66-D68 WeakPolarHBondContact CE-OD2 3.33Å; K66-D68 WeakPolarHBondContact CG-OD1 3.36Å; K66-D68 IonicContact NZ-OD1 2.72Å; K66-D68 PolarHBondContact NZ-OD1 3.46Å; K66-D68 IonicContact NZ-OD2 3.34Å; K66-D68 PolarHBondContact NZ-OD2 3.16Å; K66-D68 PolarHBondContact O-N 3.5Å; D68-G70 PolarHBondContact O-N 3.16Å; D68-G70 PolarHBondContact OD1-N 3.18Å
69	G	86.4	Confident	89.6	Confident	5 Å²	5	63.9 Å²	63.9	5%	0.052	34%	0.339	C	S	.	.			trans	65.7	-8.8	-179.7	0	0	0	0	0	115.6	R57 W59 S67	R57-G69 WeakPolarHBondContact O-CA 3.47Å; R57-G69 PolarHBondContact O-N 3.02Å; W59-G69 VanDerWaalsContact NE1-C 3.3Å; W59-G69 PolarHBondContact NE1-O 3.48Å; S67-G69 VanDerWaalsContact C-N 3.34Å
70	G	88.9	Confident	90	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.323	C	S	.	.			trans	-69.7	142.3	-177.1	0	0	0	0	0	113.3	V52 K66 D68	V52-G70 WeakPolarHBondContact O-CA 3.49Å; K66-G70 PolarHBondContact NZ-O 3.06Å; D68-G70 PolarHBondContact O-N 3.16Å; D68-G70 PolarHBondContact OD1-N 3.18Å
71	M	90.5	Very high	90.4	Very high	27 Å²	27	52.8 Å²	52.8	13%	0.133	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	146.7	178.6	175.5	171.8	69.6	0	0	110.1	V7 L9 K51 V52 W59 V73	V7-M71 HydrophobicContact CB-CB 4.33Å; V7-M71 HydrophobicContact CB-CG 4.17Å; V7-M71 HydrophobicContact CG1-CB 4.42Å; V7-M71 HydrophobicContact CG1-CG 3.87Å; V7-M71 HydrophobicContact CG1-SD 3.91Å; V7-M71 CarbonylContact O-C 3.54Å; V7-M71 WeakPolarHBondContact O-CA 3.26Å; L9-M71 HydrophobicContact CD1-CE 3.46Å; L9-M71 VanDerWaalsContact CD1-CE 3.46Å; L9-M71 HydrophobicContact CD1-SD 3.83Å; L9-M71 HydrophobicContact CD2-SD 3.9Å; L9-M71 HydrophobicContact CG-CE 3.85Å; L9-M71 HydrophobicContact CG-CG 4.29Å; L9-M71 HydrophobicContact CG-SD 3.49Å; L9-M71 WeakPolarHBondContact CG-SD 3.49Å; K51-M71 CarbonylContact C-O 3.54Å; K51-M71 WeakPolarHBondContact CA-O 3.46Å; V52-M71 PolarHBondContact N-O 2.76Å; V52-M71 PolarHBondContact O-N 3.1Å; W59-M71 HydrophobicContact CH2-CE 4.22Å; W59-M71 HydrophobicContact CH2-SD 3.81Å; W59-M71 HydrophobicContact CZ2-CB 3.92Å; W59-M71 HydrophobicContact CZ2-CE 4.05Å; W59-M71 HydrophobicContact CZ2-CG 4.4Å; W59-M71 HydrophobicContact CZ2-SD 3.63Å; M71-V73 HydrophobicContact CE-CG2 4.21Å
72	Y	92.6	Very high	90.9	Very high	45 Å²	45	50.1 Å²	50.1	18%	0.176	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136.2	173.4	-63.1	-86.6	0	0	0	109.9	V7 F8 L9 I49 Q50 K51	V7-Y72 PolarHBondContact O-N 2.9Å; F8-Y72 CarbonylContact C-O 3.49Å; F8-Y72 VanDerWaalsContact CA-O 3.29Å; F8-Y72 WeakPolarHBondContact CA-O 3.41Å; F8-Y72 HydrophobicContact CD1-CD2 4.37Å; F8-Y72 HydrophobicContact CD1-CG 4.11Å; F8-Y72 HydrophobicContact CD2-CD2 4.37Å; F8-Y72 VanDerWaalsContact CE1-CB 3.45Å; F8-Y72 HydrophobicContact CE1-CD1 4.41Å; F8-Y72 AromaticContact CE1-CD2 3.9Å; F8-Y72 HydrophobicContact CE1-CD2 3.9Å; F8-Y72 AromaticContact CE1-CG 3.68Å; F8-Y72 HydrophobicContact CE1-CG 3.68Å; F8-Y72 AromaticContact CE2-CD2 3.93Å; F8-Y72 HydrophobicContact CE2-CD2 3.93Å; F8-Y72 AromaticContact CZ-CD2 3.66Å; F8-Y72 HydrophobicContact CZ-CD2 3.66Å; F8-Y72 HydrophobicContact CZ-CE2 4.24Å; F8-Y72 AromaticContact CZ-CG 3.92Å; F8-Y72 HydrophobicContact CZ-CG 3.92Å; L9-Y72 PolarHBondContact N-O 2.76Å; I49-Y72 HydrophobicContact CG2-CD1 3.98Å; I49-Y72 HydrophobicContact CG2-CG 4.41Å; Q50-Y72 CarbonylContact O-C 3.56Å; Q50-Y72 WeakPolarHBondContact O-CA 3.47Å; K51-Y72 HydrophobicContact CB-CD1 3.73Å; K51-Y72 HydrophobicContact CB-CE1 3.62Å; K51-Y72 HydrophobicContact CD-CE1 4.26Å; K51-Y72 HydrophobicContact CG-CD1 4.1Å; K51-Y72 HydrophobicContact CG-CE1 3.81Å
73	V	93.9	Very high	91.3	Very high	37 Å²	37	46.7 Å²	46.7	22%	0.224	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125	-179.7	-176.6	0	0	0	0	108.1	L9 Q50 V52 M71	L9-V73 HydrophobicContact CB-CG1 4.47Å; L9-V73 HydrophobicContact CD1-CG2 4.11Å; Q50-V73 PolarHBondContact N-O 2.96Å; Q50-V73 PolarHBondContact O-N 2.8Å; V52-V73 HydrophobicContact CG2-CG2 3.75Å; M71-V73 HydrophobicContact CE-CG2 4.21Å
74	C	94.4	Very high	91.7	Very high	14 Å²	14	37.4 Å²	37.4	10%	0.095	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	104.2	175.1	-65.9	0	0	0	0	109.7	L9 I10 M38 F47 E48	L9-C74 WeakPolarHBondContact O-CB 3.23Å; L9-C74 PolarHBondContact O-N 3.4Å; I10-C74 HydrophobicContact CG2-CB 4.09Å; I10-C74 WeakPolarHBondContact CG2-SG 3.46Å; M38-C74 HydrophobicContact CE-CB 4.32Å; F47-C74 HydrophobicContact CB-CB 4.2Å; E48-C74 CarbonylContact O-C 3.58Å; E48-C74 VanDerWaalsContact O-CA 3.24Å; E48-C74 WeakPolarHBondContact O-CA 3.4Å
75	S	93.6	Very high	92.1	Very high	33 Å²	33	34 Å²	34	23%	0.231	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	139.2	179.2	60.3	0	0	0	0	110	F47 E48 Q50 I77	F47-S75 CarbonylContact C-O 3.43Å; F47-S75 VanDerWaalsContact CA-O 3.23Å; F47-S75 WeakPolarHBondContact CA-O 3.44Å; E48-S75 PolarHBondContact N-O 3.04Å; E48-S75 PolarHBondContact O-N 2.68Å; Q50-S75 PolarHBondContact OE1-OG 3.07Å; S75-I77 PolarHBondContact O-N 2.59Å
76	R	94.9	Very high	92.4	Very high	156 Å²	156	29.5 Å²	29.5	59%	0.589	16%	0.155	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69	129.7	-179.9	-172.3	-174.7	-68.1	179.5	2.7	109.8	E45 F47	E45-R76 IonicContact OE1-CZ 3.52Å; E45-R76 IonicContact OE1-NE 2.72Å; E45-R76 PolarHBondContact OE1-NE 3.29Å; E45-R76 IonicContact OE1-NH1 3.08Å; E45-R76 PolarHBondContact OE1-NH1 3.04Å; E45-R76 IonicContact OE1-NH2 2.68Å; E45-R76 PolarHBondContact OE1-NH2 3.17Å; E45-R76 IonicContact OE2-CZ 3.71Å; E45-R76 IonicContact OE2-NE 2.75Å; E45-R76 PolarHBondContact OE2-NE 2.83Å; E45-R76 IonicContact OE2-NH1 2.97Å; E45-R76 IonicContact OE2-NH2 3.23Å; E45-R76 PolarHBondContact OE2-NH2 2.9Å; F47-R76 HydrophobicContact CD1-CB 4.02Å; F47-R76 HydrophobicContact CE1-CB 3.86Å; F47-R76 HydrophobicContact CE1-CG 4.26Å
77	I	94.9	Very high	92.7	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.036	15%	0.151	C	C	.	.			trans	-107.5	140.5	174.7	-173	166.7	0	0	0	110.8	Y37 L46 E48 S75 F81 F82 Y221	Y37-I77 HydrophobicContact CD1-CG2 4.11Å; Y37-I77 HydrophobicContact CE1-CD1 3.88Å; Y37-I77 HydrophobicContact CE1-CG2 4.22Å; L46-I77 HydrophobicContact CB-CG2 4.04Å; L46-I77 HydrophobicContact CD2-CG2 3.88Å; L46-I77 HydrophobicContact CG-CG2 3.75Å; L46-I77 WeakPolarHBondContact O-CG2 3.49Å; L46-I77 PolarHBondContact O-N 3.41Å; E48-I77 HydrophobicContact CB-CB 4.46Å; S75-I77 PolarHBondContact O-N 2.59Å; I77-F81 HydrophobicContact CG1-CD2 4.38Å; I77-F82 HydrophobicContact CD1-CE2 3.87Å; I77-F82 HydrophobicContact CD1-CZ 3.87Å; I77-F82 HydrophobicContact CG1-CE2 4.34Å; I77-F82 HydrophobicContact CG2-CE2 4.36Å; I77-Y221 HydrophobicContact CD1-CD1 4Å; I77-Y221 HydrophobicContact CD1-CE1 3.62Å; I77-Y221 HydrophobicContact CG1-CE1 4.33Å
78	D	95.6	Very high	93.1	Very high	13 Å²	13	27.7 Å²	27.7	7%	0.07	13%	0.133	C	C	.	.			trans	-79.4	121	171.6	-159.4	-44.4	0	0	0	109.7	L80 F81 R119 W145 R149	D78-L80 PolarHBondContact O-N 3.21Å; D78-L80 VanDerWaalsContact O-N 3.07Å; D78-L80 PolarHBondContact OD1-N 3.07Å; D78-F81 HydrophobicContact CB-CD2 3.98Å; D78-F81 HydrophobicContact CB-CE2 4.04Å; D78-F81 WeakPolarHBondContact O-CD2 3.36Å; D78-F81 PolarHBondContact O-N 3.09Å; D78-R119 VanDerWaalsContact CG-NH2 3.32Å; D78-R119 IonicContact OD1-CZ 3.34Å; D78-R119 VanDerWaalsContact OD1-CZ 3.32Å; D78-R119 IonicContact OD1-NH1 3.2Å; D78-R119 PolarHBondContact OD1-NH1 2.86Å; D78-R119 IonicContact OD1-NH2 3.99Å; D78-R119 PolarHBondContact OD1-NH2 2.93Å; D78-R119 IonicContact OD2-CZ 2.97Å; D78-R119 IonicContact OD2-NH2 3.4Å; D78-R119 PolarHBondContact OD2-NH2 3.26Å; D78-W145 HydrophobicContact CB-CH2 4.49Å; D78-R149 IonicContact OD2-CZ 2.72Å; D78-R149 IonicContact OD2-NH1 2.67Å; D78-R149 PolarHBondContact OD2-NH1 3.34Å; D78-R149 IonicContact OD2-NH2 2.74Å
79	P	94.9	Very high	93.4	Very high	12 Å²	12	30.3 Å²	30.3	8%	0.078	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.7	-177.4	25.3	-37.6	0	0	0	113.1	F81 F82 F83 F110 I113 M116	P79-F81 PolarHBondContact O-N 2.96Å; P79-F81 VanDerWaalsContact O-N 3.08Å; P79-F82 WeakPolarHBondContact O-CD2 3.44Å; P79-F82 PolarHBondContact O-N 2.97Å; P79-F83 HydrophobicContact CB-CE2 4.23Å; P79-F83 WeakPolarHBondContact O-CD2 3.37Å; P79-F110 HydrophobicContact CB-CD1 4.12Å; P79-F110 HydrophobicContact CB-CE1 4.01Å; P79-I113 HydrophobicContact CB-CD1 3.99Å; P79-I113 HydrophobicContact CG-CD1 3.95Å; P79-M116 HydrophobicContact CB-CE 4.43Å; P79-M116 HydrophobicContact CB-SD 3.85Å; P79-M116 HydrophobicContact CG-CE 4.26Å; P79-M116 HydrophobicContact CG-SD 3.49Å; P79-M116 WeakPolarHBondContact CG-SD 3.34Å
80	L	96.1	Very high	93.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-56.5	-25.1	177.8	-76.7	179.9	0	0	0	113.9	D78 F82 F83 I84 M116 R119 L120 E122 I123 W145	D78-L80 PolarHBondContact O-N 3.21Å; D78-L80 VanDerWaalsContact O-N 3.07Å; D78-L80 PolarHBondContact OD1-N 3.07Å; L80-F82 VanDerWaalsContact C-N 3.32Å; L80-F82 PolarHBondContact O-N 3.28Å; L80-F83 HydrophobicContact CD2-CD2 4.42Å; L80-F83 PolarHBondContact O-N 3.21Å; L80-I84 VanDerWaalsContact O-CG1 3.29Å; L80-I84 WeakPolarHBondContact O-CG1 3.24Å; L80-I84 PolarHBondContact O-N 3.4Å; L80-M116 HydrophobicContact CD2-CE 3.61Å; L80-M116 HydrophobicContact CG-CE 4.12Å; L80-R119 HydrophobicContact CD1-CB 4.46Å; L80-R119 VanDerWaalsContact CD1-NH2 3.34Å; L80-R119 HydrophobicContact CD2-CB 4.28Å; L80-L120 HydrophobicContact CD2-CD2 4.43Å; L80-E122 HydrophobicContact CD1-CB 4.3Å; L80-I123 HydrophobicContact CD2-CD1 3.87Å; L80-I123 HydrophobicContact CD2-CG1 4.18Å; L80-W145 HydrophobicContact CB-CH2 3.95Å; L80-W145 HydrophobicContact CB-CZ2 3.78Å; L80-W145 HydrophobicContact CD1-CD2 4.46Å; L80-W145 HydrophobicContact CD1-CZ2 3.69Å; L80-W145 HydrophobicContact CG-CZ2 4.36Å
81	F	96.1	Very high	93.5	Very high	9 Å²	9	39.1 Å²	39.1	4%	0.039	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-39.3	175	-73.6	-67.3	0	0	0	112.9	P29 I77 D78 P79 I84 S85 W145 L146 V218 Y221 L222	P29-F81 HydrophobicContact CB-CB 4.01Å; P29-F81 HydrophobicContact CG-CB 3.78Å; I77-F81 HydrophobicContact CG1-CD2 4.38Å; D78-F81 HydrophobicContact CB-CD2 3.98Å; D78-F81 HydrophobicContact CB-CE2 4.04Å; D78-F81 WeakPolarHBondContact O-CD2 3.36Å; D78-F81 PolarHBondContact O-N 3.09Å; P79-F81 PolarHBondContact O-N 2.96Å; P79-F81 VanDerWaalsContact O-N 3.08Å; F81-I84 PolarHBondContact O-N 3.08Å; F81-S85 PolarHBondContact O-N 3.11Å; F81-S85 VanDerWaalsContact O-N 3.11Å; F81-W145 HydrophobicContact CD1-CZ3 4.38Å; F81-W145 HydrophobicContact CD2-CH2 4.48Å; F81-W145 HydrophobicContact CE1-CH2 4.26Å; F81-W145 HydrophobicContact CE1-CZ3 4Å; F81-W145 HydrophobicContact CE2-CH2 4.17Å; F81-W145 HydrophobicContact CZ-CH2 4.06Å; F81-W145 HydrophobicContact CZ-CZ3 4.17Å; F81-L146 HydrophobicContact CE1-CD2 4.17Å; F81-V218 HydrophobicContact CE1-CG1 4.29Å; F81-V218 HydrophobicContact CZ-CG1 4.3Å; F81-Y221 VanDerWaalsContact CD1-CB 3.44Å; F81-Y221 HydrophobicContact CD1-CG 4.18Å; F81-Y221 HydrophobicContact CD2-CG 4.31Å; F81-Y221 HydrophobicContact CE1-CD2 4.39Å; F81-Y221 HydrophobicContact CE1-CG 4.35Å; F81-Y221 HydrophobicContact CE2-CD2 4.31Å; F81-Y221 HydrophobicContact CE2-CG 4.47Å; F81-Y221 HydrophobicContact CG-CG 4.17Å; F81-Y221 HydrophobicContact CZ-CD2 4.21Å; F81-Y221 HydrophobicContact CZ-CG 4.49Å; F81-L222 HydrophobicContact CD1-CD2 4.18Å; F81-L222 HydrophobicContact CE1-CD2 4.16Å
82	F	94.6	Very high	93.7	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.035	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-42.1	175.7	-59.1	-81.5	0	0	0	111.2	L26 K27 P29 Y37 L46 I77 P79 L80 S85 F86 I103 F110	L26-F82 HydrophobicContact CB-CE1 3.92Å; L26-F82 HydrophobicContact CB-CZ 4.46Å; L26-F82 HydrophobicContact CD1-CE1 4.08Å; L26-F82 HydrophobicContact CD1-CE2 4.45Å; L26-F82 HydrophobicContact CD1-CZ 3.96Å; K27-F82 WeakPolarHBondContact O-CE1 3.46Å; P29-F82 HydrophobicContact CG-CD1 3.86Å; P29-F82 HydrophobicContact CG-CE1 3.92Å; P29-F82 HydrophobicContact CG-CG 4.27Å; P29-F82 HydrophobicContact CG-CZ 4.36Å; Y37-F82 HydrophobicContact CD1-CZ 4.24Å; Y37-F82 HydrophobicContact CE1-CE1 4.43Å; Y37-F82 AromaticContact CE1-CZ 3.66Å; Y37-F82 HydrophobicContact CE1-CZ 3.66Å; Y37-F82 HydrophobicContact CE2-CE1 4.23Å; Y37-F82 HydrophobicContact CE2-CZ 4.14Å; Y37-F82 AromaticContact CZ-CE1 3.91Å; Y37-F82 AromaticContact CZ-CZ 3.59Å; L46-F82 HydrophobicContact CD2-CD2 4.49Å; L46-F82 HydrophobicContact CD2-CE2 3.64Å; L46-F82 HydrophobicContact CD2-CZ 4.14Å; I77-F82 HydrophobicContact CD1-CE2 3.87Å; I77-F82 HydrophobicContact CD1-CZ 3.87Å; I77-F82 HydrophobicContact CG1-CE2 4.34Å; I77-F82 HydrophobicContact CG2-CE2 4.36Å; P79-F82 WeakPolarHBondContact O-CD2 3.44Å; P79-F82 PolarHBondContact O-N 2.97Å; L80-F82 VanDerWaalsContact C-N 3.32Å; L80-F82 PolarHBondContact O-N 3.28Å; F82-S85 PolarHBondContact O-N 3.42Å; F82-F86 PolarHBondContact O-N 2.85Å; F82-I103 HydrophobicContact CB-CG2 3.97Å; F82-F110 HydrophobicContact CB-CZ 4.41Å; F82-F110 HydrophobicContact CD2-CE1 4.06Å; F82-F110 HydrophobicContact CD2-CZ 4.1Å; F82-F110 HydrophobicContact CG-CZ 4.21Å
83	F	94.7	Very high	93.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.8	-37.6	177.8	-64.4	-79.7	0	0	0	112.5	P79 L80 F86 C87 W96 I99 L100 I103 F110 M116 L120 I123	P79-F83 HydrophobicContact CB-CE2 4.23Å; P79-F83 WeakPolarHBondContact O-CD2 3.37Å; L80-F83 HydrophobicContact CD2-CD2 4.42Å; L80-F83 PolarHBondContact O-N 3.21Å; F83-F86 PolarHBondContact O-N 3.05Å; F83-C87 WeakPolarHBondContact O-CB 3.36Å; F83-C87 PolarHBondContact O-N 2.84Å; F83-C87 PolarHBondContact O-SG 3.35Å; F83-W96 HydrophobicContact CE1-CH2 4.06Å; F83-W96 AromaticContact CE1-CZ3 3.58Å; F83-W96 HydrophobicContact CE1-CZ3 3.58Å; F83-W96 AromaticContact CZ-CH2 3.88Å; F83-W96 HydrophobicContact CZ-CH2 3.88Å; F83-W96 AromaticContact CZ-CZ3 3.85Å; F83-W96 HydrophobicContact CZ-CZ3 3.85Å; F83-I99 HydrophobicContact CD1-CG2 3.45Å; F83-I99 VanDerWaalsContact CD1-CG2 3.45Å; F83-I99 HydrophobicContact CE1-CG2 3.57Å; F83-L100 HydrophobicContact CE1-CD2 4.48Å; F83-L100 HydrophobicContact CZ-CD2 4.43Å; F83-I103 HydrophobicContact CD1-CD1 3.32Å; F83-I103 HydrophobicContact CE1-CD1 3.41Å; F83-I103 VanDerWaalsContact CE1-CD1 3.41Å; F83-I103 HydrophobicContact CG-CD1 3.99Å; F83-I103 HydrophobicContact CZ-CD1 4.09Å; F83-F110 AromaticContact CE2-CD1 3.91Å; F83-F110 HydrophobicContact CE2-CD1 3.91Å; F83-F110 HydrophobicContact CE2-CE1 4.28Å; F83-F110 HydrophobicContact CE2-CG 4.45Å; F83-F110 HydrophobicContact CZ-CB 4.16Å; F83-F110 AromaticContact CZ-CD1 4Å; F83-F110 HydrophobicContact CZ-CD1 4Å; F83-F110 HydrophobicContact CZ-CG 4.07Å; F83-M116 HydrophobicContact CD2-CE 3.54Å; F83-M116 HydrophobicContact CE2-CE 3.28Å; F83-M116 HydrophobicContact CE2-CG 4.17Å; F83-M116 HydrophobicContact CE2-SD 3.88Å; F83-M116 HydrophobicContact CG-CE 4.47Å; F83-M116 HydrophobicContact CZ-CE 4.01Å; F83-M116 HydrophobicContact CZ-CG 4.18Å; F83-M116 HydrophobicContact CZ-SD 4.48Å; F83-L120 HydrophobicContact CB-CD2 3.81Å; F83-L120 HydrophobicContact CD1-CD2 3.66Å; F83-L120 HydrophobicContact CD2-CD2 4.48Å; F83-L120 HydrophobicContact CE1-CD2 4.34Å; F83-L120 HydrophobicContact CG-CD2 3.73Å; F83-I123 HydrophobicContact CB-CD1 3.84Å
84	I	95.5	Very high	93.9	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-48.2	172.7	-70	166.3	0	0	0	109.8	L80 F81 F86 R88 I123 F137 T142 W145 L146 L222 L226	L80-I84 VanDerWaalsContact O-CG1 3.29Å; L80-I84 WeakPolarHBondContact O-CG1 3.24Å; L80-I84 PolarHBondContact O-N 3.4Å; F81-I84 PolarHBondContact O-N 3.08Å; I84-F86 PolarHBondContact O-N 2.79Å; I84-R88 WeakPolarHBondContact O-CB 3.49Å; I84-R88 PolarHBondContact O-N 3.29Å; I84-I123 HydrophobicContact CD1-CG2 4.18Å; I84-I123 HydrophobicContact CG1-CB 4.39Å; I84-I123 HydrophobicContact CG1-CD1 3.68Å; I84-I123 HydrophobicContact CG1-CG2 4.07Å; I84-F137 HydrophobicContact CG2-CE2 4.42Å; I84-T142 HydrophobicContact CD1-CG2 4.05Å; I84-T142 HydrophobicContact CG1-CG2 4.1Å; I84-T142 HydrophobicContact CG2-CG2 4.23Å; I84-W145 HydrophobicContact CD1-CE3 3.78Å; I84-W145 HydrophobicContact CD1-CH2 4.41Å; I84-W145 HydrophobicContact CD1-CZ3 3.54Å; I84-L146 HydrophobicContact CD1-CD2 4.35Å; I84-L222 HydrophobicContact CG2-CD2 4.49Å; I84-L226 HydrophobicContact CG2-CD1 3.78Å
85	S	93.5	Very high	93.9	Very high	22 Å²	22	46.1 Å²	46.1	15%	0.154	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-44.7	179.9	-170.1	0	0	0	0	112.3	P29 F81 F82 K89	P29-S85 WeakPolarHBondContact O-CB 3.49Å; P29-S85 PolarHBondContact O-OG 2.99Å; F81-S85 PolarHBondContact O-N 3.11Å; F81-S85 VanDerWaalsContact O-N 3.11Å; F82-S85 PolarHBondContact O-N 3.42Å; S85-K89 WeakPolarHBondContact O-CG 3.15Å
86	F	93	Very high	93.9	Very high	28 Å²	28	45.9 Å²	45.9	12%	0.123	21%	0.211	C	C	.	.	H	α-helix	trans	-72.9	-52.9	179.2	175.4	-100.8	0	0	0	113.2	F82 F83 I84 R88 K89 N90 I94 I99 E102 I103	F82-F86 PolarHBondContact O-N 2.85Å; F83-F86 PolarHBondContact O-N 3.05Å; I84-F86 PolarHBondContact O-N 2.79Å; F86-R88 VanDerWaalsContact C-N 3.29Å; F86-R88 PolarHBondContact O-N 3.33Å; F86-K89 PolarHBondContact O-N 3.43Å; F86-K89 VanDerWaalsContact O-N 3.14Å; F86-N90 WeakPolarHBondContact CE2-ND2 3.25Å; F86-N90 WeakPolarHBondContact CZ-ND2 3.2Å; F86-N90 PolarHBondContact O-ND2 2.7Å; F86-I94 HydrophobicContact CE1-CD1 4.05Å; F86-I94 HydrophobicContact CZ-CD1 4.36Å; F86-I99 HydrophobicContact CD1-CG1 4.43Å; F86-I99 HydrophobicContact CD1-CG2 4.03Å; F86-I99 HydrophobicContact CE1-CB 4.26Å; F86-I99 HydrophobicContact CE1-CG1 3.98Å; F86-I99 HydrophobicContact CE1-CG2 4.25Å; F86-E102 HydrophobicContact CD2-CB 3.89Å; F86-E102 HydrophobicContact CE1-CB 4.42Å; F86-E102 HydrophobicContact CE2-CB 3.23Å; F86-E102 HydrophobicContact CE2-CG 3.69Å; F86-E102 HydrophobicContact CZ-CB 3.55Å; F86-E102 HydrophobicContact CZ-CG 3.7Å; F86-I103 HydrophobicContact CB-CD1 4.3Å; F86-I103 HydrophobicContact CB-CG1 4.06Å; F86-I103 HydrophobicContact CG-CG1 4.21Å
87	C	93.8	Very high	93.7	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.034	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-35.2	-175	-63.6	0	0	0	0	111	F83 K89 N90 F137	F83-C87 WeakPolarHBondContact O-CB 3.36Å; F83-C87 PolarHBondContact O-N 2.84Å; F83-C87 PolarHBondContact O-SG 3.35Å; C87-K89 VanDerWaalsContact C-N 3.27Å; C87-K89 PolarHBondContact O-N 3.44Å; C87-N90 CarbonylContact O-C 3.47Å; C87-N90 PolarHBondContact O-N 3.03Å; C87-F137 HydrophobicContact CB-CB 4.04Å; C87-F137 HydrophobicContact CB-CD2 4.12Å; C87-F137 WeakPolarHBondContact O-CB 3.43Å
88	R	92.4	Very high	93.5	Very high	86 Å²	86	46.1 Å²	46.1	33%	0.325	23%	0.227	S	C	.	.	H	α-helix	trans	-61.6	-34.4	176.4	177.9	175.8	157.1	-83.4	-17	112.9	I84 F86 N90 F137 D225	I84-R88 WeakPolarHBondContact O-CB 3.49Å; I84-R88 PolarHBondContact O-N 3.29Å; F86-R88 VanDerWaalsContact C-N 3.29Å; F86-R88 PolarHBondContact O-N 3.33Å; R88-N90 PolarHBondContact O-N 3.34Å; R88-F137 HydrophobicContact CB-CD1 4.44Å; R88-F137 HydrophobicContact CB-CD2 4.28Å; R88-F137 HydrophobicContact CB-CE1 4.28Å; R88-F137 HydrophobicContact CB-CE2 4.11Å; R88-F137 HydrophobicContact CB-CG 4.43Å; R88-F137 HydrophobicContact CB-CZ 4.12Å; R88-F137 HydrophobicContact CG-CE1 4.24Å; R88-F137 HydrophobicContact CG-CZ 4.32Å; R88-D225 IonicContact CZ-OD1 3.15Å; R88-D225 IonicContact CZ-OD2 3.08Å; R88-D225 IonicContact NE-OD1 2.73Å; R88-D225 PolarHBondContact NE-OD1 3.14Å; R88-D225 IonicContact NE-OD2 2.74Å; R88-D225 PolarHBondContact NE-OD2 2.97Å; R88-D225 IonicContact NH1-OD1 2.76Å; R88-D225 IonicContact NH2-OD1 3.4Å; R88-D225 PolarHBondContact NH2-OD1 3.45Å; R88-D225 IonicContact NH2-OD2 2.62Å; R88-D225 PolarHBondContact NH2-OD2 3.27Å
89	K	91.1	Very high	93.4	Very high	126 Å²	126	45.6 Å²	45.6	55%	0.548	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.8	175.6	-66	171.7	-173	176	0	112.2	D32 S85 F86 C87	D32-K89 IonicContact OD1-NZ 2.75Å; D32-K89 PolarHBondContact OD1-NZ 3.16Å; S85-K89 WeakPolarHBondContact O-CG 3.15Å; F86-K89 PolarHBondContact O-N 3.43Å; F86-K89 VanDerWaalsContact O-N 3.14Å; C87-K89 VanDerWaalsContact C-N 3.27Å; C87-K89 PolarHBondContact O-N 3.44Å
90	N	89.8	Confident	93.2	Very high	56 Å²	56	45 Å²	45	30%	0.299	22%	0.22	S	C	.	.			trans	-122	118.2	-174.9	-68.4	-76.6	0	0	0	112.2	F86 C87 R88 K92 I94	F86-N90 WeakPolarHBondContact CE2-ND2 3.25Å; F86-N90 WeakPolarHBondContact CZ-ND2 3.2Å; F86-N90 PolarHBondContact O-ND2 2.7Å; C87-N90 CarbonylContact O-C 3.47Å; C87-N90 PolarHBondContact O-N 3.03Å; R88-N90 PolarHBondContact O-N 3.34Å; N90-K92 PolarHBondContact O-N 2.97Å; N90-I94 HydrophobicContact CB-CD1 3.46Å; N90-I94 VanDerWaalsContact CB-CD1 3.46Å
91	N	87.6	Confident	92.9	Very high	134 Å²	134	48.5 Å²	48.5	72%	0.717	24%	0.244	S	C	*	.			trans	-88.6	2.2	179.8	74.5	5.6	0	0	0	114.9	R136	N91-R136 WeakPolarHBondContact O-CD 3.5Å
92	K	94.2	Very high	92.5	Very high	153 Å²	153	53.8 Å²	53.8	67%	0.665	27%	0.269	S	S	*	.	S	Bend	trans	-100.6	164.6	-173.5	-59.3	-175.3	-177	172.8	0	111.5	N90	N90-K92 PolarHBondContact O-N 2.97Å
93	F	96	Very high	92	Very high	66 Å²	66	54.1 Å²	54.1	29%	0.289	27%	0.271	S	S	.	.			trans	-74.4	126	166.8	-76.9	-80.5	0	0	0	109.5	K127 V134 Y135 R136	F93-K127 HydrophobicContact CD1-CB 4.43Å; F93-K127 HydrophobicContact CD1-CD 4.41Å; F93-K127 HydrophobicContact CD1-CG 4.45Å; F93-K127 HydrophobicContact CE1-CB 4.14Å; F93-K127 HydrophobicContact CE1-CD 3.69Å; F93-K127 HydrophobicContact CE1-CG 3.7Å; F93-K127 HydrophobicContact CE2-CD 3.95Å; F93-K127 HydrophobicContact CZ-CD 3.44Å; F93-K127 VanDerWaalsContact CZ-CD 3.44Å; F93-K127 HydrophobicContact CZ-CG 3.94Å; F93-V134 HydrophobicContact CB-CB 4.01Å; F93-V134 HydrophobicContact CB-CG2 3.82Å; F93-V134 HydrophobicContact CD1-CB 4.35Å; F93-V134 HydrophobicContact CD1-CG2 3.77Å; F93-V134 HydrophobicContact CG-CG2 4.05Å; F93-Y135 CarbonylContact C-O 3.45Å; F93-Y135 WeakPolarHBondContact CA-O 3.42Å; F93-R136 HydrophobicContact CD1-CB 3.59Å; F93-R136 HydrophobicContact CD2-CB 4.24Å; F93-R136 HydrophobicContact CE1-CB 3.48Å; F93-R136 VanDerWaalsContact CE1-CB 3.48Å; F93-R136 HydrophobicContact CE2-CB 4.14Å; F93-R136 HydrophobicContact CG-CB 3.96Å; F93-R136 HydrophobicContact CZ-CB 3.76Å
94	I	94.9	Very high	90.9	Very high	23 Å²	23	56.6 Å²	56.6	12%	0.118	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.9	-176.6	-52.6	167.8	0	0	0	108.2	F86 N90 V98 I99 V134 Y135	F86-I94 HydrophobicContact CE1-CD1 4.05Å; F86-I94 HydrophobicContact CZ-CD1 4.36Å; N90-I94 HydrophobicContact CB-CD1 3.46Å; N90-I94 VanDerWaalsContact CB-CD1 3.46Å; I94-V98 HydrophobicContact CG2-CB 3.57Å; I94-V98 HydrophobicContact CG2-CG1 3.45Å; I94-V98 VanDerWaalsContact CG2-CG1 3.45Å; I94-I99 HydrophobicContact CB-CG1 4.18Å; I94-I99 HydrophobicContact CG2-CG1 3.82Å; I94-V134 WeakPolarHBondContact O-CA 3.3Å; I94-Y135 PolarHBondContact N-O 3.34Å; I94-Y135 PolarHBondContact O-N 3.35Å
95	S	94.3	Very high	89.5	Confident	28 Å²	28	59.6 Å²	59.6	20%	0.196	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	159	175	60.8	0	0	0	0	111.8	D97 V98 I99	S95-D97 VanDerWaalsContact C-N 3.31Å; S95-D97 PolarHBondContact O-N 2.95Å; S95-V98 PolarHBondContact O-N 3.04Å; S95-V98 WeakPolarHBondContact OG-CG2 3.16Å; S95-I99 WeakPolarHBondContact O-CG1 3.05Å; S95-I99 PolarHBondContact O-N 2.8Å; S95-I99 VanDerWaalsContact O-N 3.11Å
96	W	93.1	Very high	88.7	Confident	27 Å²	27	59.4 Å²	59.4	10%	0.102	33%	0.327	C	S	.	.	H	α-helix	trans	-52.2	-47.3	175.5	172.2	-119.9	0	0	0	113	F83 V98 I99 L100 M116 E117 L120 Y135	F83-W96 HydrophobicContact CE1-CH2 4.06Å; F83-W96 AromaticContact CE1-CZ3 3.58Å; F83-W96 HydrophobicContact CE1-CZ3 3.58Å; F83-W96 AromaticContact CZ-CH2 3.88Å; F83-W96 HydrophobicContact CZ-CH2 3.88Å; F83-W96 AromaticContact CZ-CZ3 3.85Å; F83-W96 HydrophobicContact CZ-CZ3 3.85Å; W96-V98 VanDerWaalsContact C-N 3.3Å; W96-V98 PolarHBondContact O-N 2.92Å; W96-I99 WeakPolarHBondContact O-CB 3.42Å; W96-I99 PolarHBondContact O-N 2.81Å; W96-I99 VanDerWaalsContact O-N 3.15Å; W96-L100 HydrophobicContact CD2-CD1 4.14Å; W96-L100 HydrophobicContact CD2-CG 4.02Å; W96-L100 HydrophobicContact CE3-CG 4.28Å; W96-L100 HydrophobicContact CH2-CD1 4.3Å; W96-L100 HydrophobicContact CH2-CD2 3.52Å; W96-L100 HydrophobicContact CH2-CG 3.96Å; W96-L100 HydrophobicContact CZ2-CD1 3.52Å; W96-L100 HydrophobicContact CZ2-CD2 3.59Å; W96-L100 HydrophobicContact CZ2-CG 3.68Å; W96-L100 HydrophobicContact CZ3-CD2 4.06Å; W96-L100 HydrophobicContact CZ3-CG 4.26Å; W96-L100 PolarHBondContact O-N 3.05Å; W96-M116 HydrophobicContact CH2-CB 4.14Å; W96-M116 HydrophobicContact CH2-CG 3.64Å; W96-M116 HydrophobicContact CZ2-CB 4.5Å; W96-M116 HydrophobicContact CZ2-CG 4.41Å; W96-M116 HydrophobicContact CZ3-CG 4.44Å; W96-E117 HydrophobicContact CB-CG 4.08Å; W96-E117 HydrophobicContact CD2-CB 3.91Å; W96-E117 HydrophobicContact CD2-CG 3.9Å; W96-E117 HydrophobicContact CE3-CB 4.19Å; W96-E117 HydrophobicContact CE3-CG 4.2Å; W96-E117 HydrophobicContact CG-CB 4.27Å; W96-E117 HydrophobicContact CG-CG 3.86Å; W96-E117 HydrophobicContact CZ2-CB 4.32Å; W96-L120 HydrophobicContact CE3-CD1 3.51Å; W96-L120 HydrophobicContact CE3-CG 4.47Å; W96-L120 HydrophobicContact CZ3-CD1 3.71Å; W96-L120 HydrophobicContact CZ3-CG 4.24Å; W96-Y135 HydrophobicContact CB-CE2 4.49Å
97	D	91.2	Very high	88.3	Confident	104 Å²	104	62.4 Å²	62.4	56%	0.556	34%	0.341	S	S	*	.	H	α-helix	trans	-60.3	-38.8	-178.2	-55.4	-55.5	0	0	0	112.7	S95 L100 S101	S95-D97 VanDerWaalsContact C-N 3.31Å; S95-D97 PolarHBondContact O-N 2.95Å; D97-L100 PolarHBondContact O-N 3.42Å; D97-S101 PolarHBondContact O-N 3.09Å; D97-S101 PolarHBondContact O-OG 2.97Å
98	V	91.6	Very high	87.9	Confident	65 Å²	65	67.6 Å²	67.6	39%	0.394	37%	0.368	S	S	.	.	H	α-helix	trans	-72.2	-37.6	178.9	175.2	0	0	0	0	110.9	I94 S95 W96 L100 S101 E102	I94-V98 HydrophobicContact CG2-CB 3.57Å; I94-V98 HydrophobicContact CG2-CG1 3.45Å; I94-V98 VanDerWaalsContact CG2-CG1 3.45Å; S95-V98 PolarHBondContact O-N 3.04Å; S95-V98 WeakPolarHBondContact OG-CG2 3.16Å; W96-V98 VanDerWaalsContact C-N 3.3Å; W96-V98 PolarHBondContact O-N 2.92Å; V98-L100 VanDerWaalsContact C-N 3.32Å; V98-L100 PolarHBondContact O-N 3.38Å; V98-S101 WeakPolarHBondContact CA-OG 3.2Å; V98-S101 PolarHBondContact O-N 3.32Å; V98-S101 PolarHBondContact O-OG 3.34Å; V98-E102 VanDerWaalsContact O-CG 3.31Å; V98-E102 WeakPolarHBondContact O-CG 3.36Å; V98-E102 PolarHBondContact O-N 3.4Å
99	I	92.5	Very high	87.8	Confident	1 Å²	1	64 Å²	64	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-60.3	-46	173.9	-65.1	168	0	0	0	109.7	F83 F86 I94 S95 W96 S101 E102 I103 L120 Y135	F83-I99 HydrophobicContact CD1-CG2 3.45Å; F83-I99 VanDerWaalsContact CD1-CG2 3.45Å; F83-I99 HydrophobicContact CE1-CG2 3.57Å; F86-I99 HydrophobicContact CD1-CG1 4.43Å; F86-I99 HydrophobicContact CD1-CG2 4.03Å; F86-I99 HydrophobicContact CE1-CB 4.26Å; F86-I99 HydrophobicContact CE1-CG1 3.98Å; F86-I99 HydrophobicContact CE1-CG2 4.25Å; I94-I99 HydrophobicContact CB-CG1 4.18Å; I94-I99 HydrophobicContact CG2-CG1 3.82Å; S95-I99 WeakPolarHBondContact O-CG1 3.05Å; S95-I99 PolarHBondContact O-N 2.8Å; S95-I99 VanDerWaalsContact O-N 3.11Å; W96-I99 WeakPolarHBondContact O-CB 3.42Å; W96-I99 PolarHBondContact O-N 2.81Å; W96-I99 VanDerWaalsContact O-N 3.15Å; I99-S101 PolarHBondContact O-N 2.96Å; I99-E102 PolarHBondContact O-N 3.2Å; I99-I103 HydrophobicContact CG2-CD1 3.83Å; I99-I103 WeakPolarHBondContact O-CG1 3.38Å; I99-I103 PolarHBondContact O-N 3.2Å; I99-L120 HydrophobicContact CD1-CD1 3.87Å; I99-Y135 HydrophobicContact CD1-CD2 4.47Å
100	L	91.8	Very high	87.9	Confident	0 Å²	0	58 Å²	58	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.1	-38.9	179.2	-74.5	-174.2	0	0	0	113.4	F83 W96 D97 V98 E102 F107 F110	F83-L100 HydrophobicContact CE1-CD2 4.48Å; F83-L100 HydrophobicContact CZ-CD2 4.43Å; W96-L100 HydrophobicContact CD2-CD1 4.14Å; W96-L100 HydrophobicContact CD2-CG 4.02Å; W96-L100 HydrophobicContact CE3-CG 4.28Å; W96-L100 HydrophobicContact CH2-CD1 4.3Å; W96-L100 HydrophobicContact CH2-CD2 3.52Å; W96-L100 HydrophobicContact CH2-CG 3.96Å; W96-L100 HydrophobicContact CZ2-CD1 3.52Å; W96-L100 HydrophobicContact CZ2-CD2 3.59Å; W96-L100 HydrophobicContact CZ2-CG 3.68Å; W96-L100 HydrophobicContact CZ3-CD2 4.06Å; W96-L100 HydrophobicContact CZ3-CG 4.26Å; W96-L100 PolarHBondContact O-N 3.05Å; D97-L100 PolarHBondContact O-N 3.42Å; V98-L100 VanDerWaalsContact C-N 3.32Å; V98-L100 PolarHBondContact O-N 3.38Å; L100-E102 PolarHBondContact O-N 2.62Å; L100-F107 HydrophobicContact CB-CD2 3.65Å; L100-F107 HydrophobicContact CB-CE2 4.05Å; L100-F107 HydrophobicContact CD1-CD2 3.61Å; L100-F107 HydrophobicContact CD1-CE2 3.41Å; L100-F107 VanDerWaalsContact CD1-CE2 3.41Å; L100-F107 HydrophobicContact CD1-CG 4.4Å; L100-F107 HydrophobicContact CD1-CZ 4.06Å; L100-F107 HydrophobicContact CG-CD2 4.29Å; L100-F107 HydrophobicContact CG-CE2 4.41Å; L100-F110 HydrophobicContact CD2-CB 3.48Å; L100-F110 VanDerWaalsContact CD2-CB 3.48Å; L100-F110 HydrophobicContact CD2-CD2 4.46Å; L100-F110 HydrophobicContact CD2-CG 4.34Å
101	S	89.1	Confident	87.9	Confident	73 Å²	73	57.4 Å²	57.4	51%	0.51	33%	0.33	S	S	.	.	H	α-helix	trans	-65	-27.8	179.4	58.4	0	0	0	0	113.3	D97 V98 I99	D97-S101 PolarHBondContact O-N 3.09Å; D97-S101 PolarHBondContact O-OG 2.97Å; V98-S101 WeakPolarHBondContact CA-OG 3.2Å; V98-S101 PolarHBondContact O-N 3.32Å; V98-S101 PolarHBondContact O-OG 3.34Å; I99-S101 PolarHBondContact O-N 2.96Å
102	E	87.6	Confident	88.2	Confident	120 Å²	120	55.2 Å²	55.2	56%	0.561	32%	0.318	S	S	*	.	H	α-helix	trans	-90	-25.5	-174.6	-68	-70.5	161.6	0	0	113.6	F86 V98 I99 L100 G104	F86-E102 HydrophobicContact CD2-CB 3.89Å; F86-E102 HydrophobicContact CE1-CB 4.42Å; F86-E102 HydrophobicContact CE2-CB 3.23Å; F86-E102 HydrophobicContact CE2-CG 3.69Å; F86-E102 HydrophobicContact CZ-CB 3.55Å; F86-E102 HydrophobicContact CZ-CG 3.7Å; V98-E102 VanDerWaalsContact O-CG 3.31Å; V98-E102 WeakPolarHBondContact O-CG 3.36Å; V98-E102 PolarHBondContact O-N 3.4Å; I99-E102 PolarHBondContact O-N 3.2Å; L100-E102 PolarHBondContact O-N 2.62Å; E102-G104 PolarHBondContact O-N 2.77Å
103	I	85.1	Confident	88.2	Confident	15 Å²	15	48.9 Å²	48.9	8%	0.077	29%	0.291	C	S	.	.	S	Bend	trans	-80.3	64	178.5	-56	171.5	0	0	0	110.1	F82 F83 F86 I99 G105 F110	F82-I103 HydrophobicContact CB-CG2 3.97Å; F83-I103 HydrophobicContact CD1-CD1 3.32Å; F83-I103 HydrophobicContact CE1-CD1 3.41Å; F83-I103 VanDerWaalsContact CE1-CD1 3.41Å; F83-I103 HydrophobicContact CG-CD1 3.99Å; F83-I103 HydrophobicContact CZ-CD1 4.09Å; F86-I103 HydrophobicContact CB-CD1 4.3Å; F86-I103 HydrophobicContact CB-CG1 4.06Å; F86-I103 HydrophobicContact CG-CG1 4.21Å; I99-I103 HydrophobicContact CG2-CD1 3.83Å; I99-I103 WeakPolarHBondContact O-CG1 3.38Å; I99-I103 PolarHBondContact O-N 3.2Å; I103-G105 PolarHBondContact O-N 2.88Å; I103-F110 HydrophobicContact CB-CE2 4.23Å; I103-F110 HydrophobicContact CG2-CD2 4.38Å; I103-F110 HydrophobicContact CG2-CE2 3.52Å; I103-F110 HydrophobicContact CG2-CZ 3.84Å
104	G	70.9	Confident	88	Confident	52 Å²	52	49.2 Å²	49.2	54%	0.536	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	23.8	162.6	0	0	0	0	0	116.7	E102 C106	E102-G104 PolarHBondContact O-N 2.77Å; G104-C106 PolarHBondContact O-N 3.34Å
105	G	66.5	Low	87.9	Confident	67 Å²	67	54.1 Å²	54.1	69%	0.691	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	11	173.3	0	0	0	0	0	115.4	I103 F107	I103-G105 PolarHBondContact O-N 2.88Å; G105-F107 VanDerWaalsContact C-N 3.26Å; G105-F107 PolarHBondContact O-N 3.1Å
106	C	76.6	Confident	87.9	Confident	19 Å²	19	52.9 Å²	52.9	13%	0.128	32%	0.318	C	S	.	.			trans	-92.9	45.6	176.4	-67.4	0	0	0	0	111.9	L26 G104 D108 V109 F110	L26-C106 HydrophobicContact CD2-CB 3.79Å; L26-C106 WeakPolarHBondContact CD2-SG 3.43Å; G104-C106 PolarHBondContact O-N 3.34Å; C106-D108 PolarHBondContact O-N 2.85Å; C106-V109 HydrophobicContact CB-CB 4.05Å; C106-V109 HydrophobicContact CB-CG2 3.91Å; C106-V109 WeakPolarHBondContact O-CB 3.43Å; C106-V109 PolarHBondContact O-N 2.92Å; C106-F110 HydrophobicContact CB-CD2 4.29Å; C106-F110 HydrophobicContact CB-CE2 4.06Å; C106-F110 WeakPolarHBondContact O-CD2 3.47Å; C106-F110 PolarHBondContact O-N 3.07Å
107	F	84.1	Confident	88	Confident	91 Å²	91	55.1 Å²	55.1	40%	0.399	33%	0.329	S	S	.	.	H	α-helix	trans	-51.2	-46.6	178.9	-180	-85	0	0	0	111.1	L100 G105 V109 F110 S111	L100-F107 HydrophobicContact CB-CD2 3.65Å; L100-F107 HydrophobicContact CB-CE2 4.05Å; L100-F107 HydrophobicContact CD1-CD2 3.61Å; L100-F107 HydrophobicContact CD1-CE2 3.41Å; L100-F107 VanDerWaalsContact CD1-CE2 3.41Å; L100-F107 HydrophobicContact CD1-CG 4.4Å; L100-F107 HydrophobicContact CD1-CZ 4.06Å; L100-F107 HydrophobicContact CG-CD2 4.29Å; L100-F107 HydrophobicContact CG-CE2 4.41Å; G105-F107 VanDerWaalsContact C-N 3.26Å; G105-F107 PolarHBondContact O-N 3.1Å; F107-V109 VanDerWaalsContact C-N 3.27Å; F107-V109 PolarHBondContact O-N 3.03Å; F107-F110 PolarHBondContact O-N 3.01Å; F107-S111 WeakPolarHBondContact O-CB 3.39Å; F107-S111 PolarHBondContact O-N 3.22Å; F107-S111 PolarHBondContact O-OG 3.26Å
108	D	84.6	Confident	88.2	Confident	113 Å²	113	53.1 Å²	53.1	60%	0.604	32%	0.323	S	S	*	.	H	α-helix	trans	-65.3	-28.1	-178.7	-60.6	-31	0	0	0	112.8	C106 N112	C106-D108 PolarHBondContact O-N 2.85Å; D108-N112 VanDerWaalsContact O-CB 3.31Å; D108-N112 WeakPolarHBondContact O-CB 3.49Å; D108-N112 PolarHBondContact O-ND2 3.05Å
109	V	91	Very high	88.4	Confident	10 Å²	10	52.7 Å²	52.7	6%	0.061	31%	0.314	C	S	.	.	H	α-helix	trans	-72.4	-56.4	178.8	177.7	0	0	0	0	109.5	V24 W39 L46 C106 F107 N112 I113	V24-V109 HydrophobicContact CG1-CG2 3.9Å; W39-V109 HydrophobicContact CB-CG1 4.48Å; W39-V109 HydrophobicContact CB-CG2 4.46Å; W39-V109 HydrophobicContact CD2-CG1 3.87Å; W39-V109 HydrophobicContact CE3-CG1 3.58Å; W39-V109 HydrophobicContact CG-CG1 4.29Å; W39-V109 HydrophobicContact CG-CG2 4.35Å; W39-V109 HydrophobicContact CZ3-CG1 4.02Å; L46-V109 HydrophobicContact CD1-CG1 4.16Å; C106-V109 HydrophobicContact CB-CB 4.05Å; C106-V109 HydrophobicContact CB-CG2 3.91Å; C106-V109 WeakPolarHBondContact O-CB 3.43Å; C106-V109 PolarHBondContact O-N 2.92Å; F107-V109 VanDerWaalsContact C-N 3.27Å; F107-V109 PolarHBondContact O-N 3.03Å; V109-N112 PolarHBondContact O-N 3.45Å; V109-I113 WeakPolarHBondContact O-CG1 3.41Å
110	F	93.1	Very high	88.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-74.2	-30.6	-172.7	-63.6	-65.6	0	0	0	113.5	L26 L46 P79 F82 F83 L100 I103 C106 F107 N112 I113	L26-F110 HydrophobicContact CD1-CE2 4.41Å; L26-F110 HydrophobicContact CD1-CZ 3.88Å; L26-F110 HydrophobicContact CD2-CE2 4.09Å; L26-F110 HydrophobicContact CD2-CZ 4.28Å; L46-F110 HydrophobicContact CD2-CE1 4.33Å; P79-F110 HydrophobicContact CB-CD1 4.12Å; P79-F110 HydrophobicContact CB-CE1 4.01Å; F82-F110 HydrophobicContact CB-CZ 4.41Å; F82-F110 HydrophobicContact CD2-CE1 4.06Å; F82-F110 HydrophobicContact CD2-CZ 4.1Å; F82-F110 HydrophobicContact CG-CZ 4.21Å; F83-F110 AromaticContact CE2-CD1 3.91Å; F83-F110 HydrophobicContact CE2-CD1 3.91Å; F83-F110 HydrophobicContact CE2-CE1 4.28Å; F83-F110 HydrophobicContact CE2-CG 4.45Å; F83-F110 HydrophobicContact CZ-CB 4.16Å; F83-F110 AromaticContact CZ-CD1 4Å; F83-F110 HydrophobicContact CZ-CD1 4Å; F83-F110 HydrophobicContact CZ-CG 4.07Å; L100-F110 HydrophobicContact CD2-CB 3.48Å; L100-F110 VanDerWaalsContact CD2-CB 3.48Å; L100-F110 HydrophobicContact CD2-CD2 4.46Å; L100-F110 HydrophobicContact CD2-CG 4.34Å; I103-F110 HydrophobicContact CB-CE2 4.23Å; I103-F110 HydrophobicContact CG2-CD2 4.38Å; I103-F110 HydrophobicContact CG2-CE2 3.52Å; I103-F110 HydrophobicContact CG2-CZ 3.84Å; C106-F110 HydrophobicContact CB-CD2 4.29Å; C106-F110 HydrophobicContact CB-CE2 4.06Å; C106-F110 WeakPolarHBondContact O-CD2 3.47Å; C106-F110 PolarHBondContact O-N 3.07Å; F107-F110 PolarHBondContact O-N 3.01Å; F110-N112 VanDerWaalsContact C-N 3.32Å; F110-I113 HydrophobicContact CD1-CD1 4.16Å; F110-I113 PolarHBondContact O-N 3.2Å
111	S	91.2	Very high	88.8	Confident	45 Å²	45	56 Å²	56	32%	0.315	33%	0.33	S	S	.	.	H	α-helix	trans	-69.7	-29.1	175.6	59.3	0	0	0	0	113	F107 I113	F107-S111 WeakPolarHBondContact O-CB 3.39Å; F107-S111 PolarHBondContact O-N 3.22Å; F107-S111 PolarHBondContact O-OG 3.26Å; S111-I113 VanDerWaalsContact C-N 3.33Å
112	N	92.5	Very high	89.2	Confident	88 Å²	88	56.2 Å²	56.2	47%	0.471	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.4	177.8	-77.1	-38.5	0	0	0	113.6	W39 L44 D108 V109 F110 P114	W39-N112 HydrophobicContact CH2-CB 4.35Å; W39-N112 HydrophobicContact CZ2-CB 3.87Å; L44-N112 HydrophobicContact CD2-CB 4.48Å; D108-N112 VanDerWaalsContact O-CB 3.31Å; D108-N112 WeakPolarHBondContact O-CB 3.49Å; D108-N112 PolarHBondContact O-ND2 3.05Å; V109-N112 PolarHBondContact O-N 3.45Å; F110-N112 VanDerWaalsContact C-N 3.32Å; N112-P114 WeakPolarHBondContact O-CD 3.46Å
113	I	93.7	Very high	89.7	Confident	19 Å²	19	50.5 Å²	50.5	10%	0.097	30%	0.296	C	S	.	.	S	Bend	trans	-73.3	123.6	175.9	-64.9	172.4	0	0	0	109.1	W39 P79 V109 F110 S111 N115 M116	W39-I113 HydrophobicContact CH2-CG1 3.62Å; W39-I113 HydrophobicContact CZ3-CD1 4.08Å; W39-I113 HydrophobicContact CZ3-CG1 3.65Å; P79-I113 HydrophobicContact CB-CD1 3.99Å; P79-I113 HydrophobicContact CG-CD1 3.95Å; V109-I113 WeakPolarHBondContact O-CG1 3.41Å; F110-I113 HydrophobicContact CD1-CD1 4.16Å; F110-I113 PolarHBondContact O-N 3.2Å; S111-I113 VanDerWaalsContact C-N 3.33Å; I113-N115 PolarHBondContact O-N 2.85Å; I113-M116 HydrophobicContact CB-CB 3.93Å; I113-M116 HydrophobicContact CB-CG 4.3Å; I113-M116 HydrophobicContact CB-SD 4.43Å; I113-M116 HydrophobicContact CD1-SD 4.42Å; I113-M116 HydrophobicContact CG2-CB 4.01Å; I113-M116 HydrophobicContact CG2-CG 4.4Å; I113-M116 HydrophobicContact CG2-SD 4.04Å; I113-M116 WeakPolarHBondContact O-CB 3.46Å; I113-M116 PolarHBondContact O-N 2.89Å
114	P	92.2	Very high	90.2	Very high	74 Å²	74	49.8 Å²	49.8	48%	0.481	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	134	-179.3	-25.1	34	0	0	0	112.1	L44 N112 M116	L44-P114 HydrophobicContact CD1-CG 3.8Å; N112-P114 WeakPolarHBondContact O-CD 3.46Å; P114-M116 PolarHBondContact O-N 2.97Å
115	N	93.8	Very high	91.5	Very high	125 Å²	125	49.9 Å²	49.9	67%	0.668	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	15.4	175.7	-56.8	-45	0	0	0	114.9	I113 E117 S118 R119	I113-N115 PolarHBondContact O-N 2.85Å; N115-E117 PolarHBondContact O-N 3.46Å; N115-S118 WeakPolarHBondContact CB-OG 3.43Å; N115-S118 PolarHBondContact O-N 3.04Å; N115-S118 PolarHBondContact O-OG 2.79Å; N115-R119 WeakPolarHBondContact O-CG 3.3Å; N115-R119 PolarHBondContact O-N 3.18Å
116	M	94.2	Very high	92.9	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-57.2	-43.8	-174.1	-172.2	64.1	-119.2	0	0	113.3	P79 L80 F83 W96 I113 P114 S118 R119 L120	P79-M116 HydrophobicContact CB-CE 4.43Å; P79-M116 HydrophobicContact CB-SD 3.85Å; P79-M116 HydrophobicContact CG-CE 4.26Å; P79-M116 HydrophobicContact CG-SD 3.49Å; P79-M116 WeakPolarHBondContact CG-SD 3.34Å; L80-M116 HydrophobicContact CD2-CE 3.61Å; L80-M116 HydrophobicContact CG-CE 4.12Å; F83-M116 HydrophobicContact CD2-CE 3.54Å; F83-M116 HydrophobicContact CE2-CE 3.28Å; F83-M116 HydrophobicContact CE2-CG 4.17Å; F83-M116 HydrophobicContact CE2-SD 3.88Å; F83-M116 HydrophobicContact CG-CE 4.47Å; F83-M116 HydrophobicContact CZ-CE 4.01Å; F83-M116 HydrophobicContact CZ-CG 4.18Å; F83-M116 HydrophobicContact CZ-SD 4.48Å; W96-M116 HydrophobicContact CH2-CB 4.14Å; W96-M116 HydrophobicContact CH2-CG 3.64Å; W96-M116 HydrophobicContact CZ2-CB 4.5Å; W96-M116 HydrophobicContact CZ2-CG 4.41Å; W96-M116 HydrophobicContact CZ3-CG 4.44Å; I113-M116 HydrophobicContact CB-CB 3.93Å; I113-M116 HydrophobicContact CB-CG 4.3Å; I113-M116 HydrophobicContact CB-SD 4.43Å; I113-M116 HydrophobicContact CD1-SD 4.42Å; I113-M116 HydrophobicContact CG2-CB 4.01Å; I113-M116 HydrophobicContact CG2-CG 4.4Å; I113-M116 HydrophobicContact CG2-SD 4.04Å; I113-M116 WeakPolarHBondContact O-CB 3.46Å; I113-M116 PolarHBondContact O-N 2.89Å; P114-M116 PolarHBondContact O-N 2.97Å; M116-S118 VanDerWaalsContact C-N 3.32Å; M116-S118 PolarHBondContact O-N 3.38Å; M116-R119 HydrophobicContact CE-CB 4.18Å; M116-R119 WeakPolarHBondContact O-CB 3.47Å; M116-R119 PolarHBondContact O-N 2.87Å; M116-R119 VanDerWaalsContact O-N 3.16Å; M116-L120 PolarHBondContact O-N 3.22Å
117	E	94.2	Very high	93.9	Very high	74 Å²	74	53.7 Å²	53.7	35%	0.346	27%	0.274	S	S	.	.	H	α-helix	trans	-60.5	-41.3	176.7	-177.8	-178.9	-180	0	0	111.7	W96 N115 R119 L120 Y135	W96-E117 HydrophobicContact CB-CG 4.08Å; W96-E117 HydrophobicContact CD2-CB 3.91Å; W96-E117 HydrophobicContact CD2-CG 3.9Å; W96-E117 HydrophobicContact CE3-CB 4.19Å; W96-E117 HydrophobicContact CE3-CG 4.2Å; W96-E117 HydrophobicContact CG-CB 4.27Å; W96-E117 HydrophobicContact CG-CG 3.86Å; W96-E117 HydrophobicContact CZ2-CB 4.32Å; N115-E117 PolarHBondContact O-N 3.46Å; E117-R119 VanDerWaalsContact C-N 3.3Å; E117-R119 PolarHBondContact O-N 3.45Å; E117-L120 WeakPolarHBondContact O-CB 3.14Å; E117-L120 PolarHBondContact O-N 3.1Å; E117-Y135 HydrophobicContact CG-CE2 4.21Å; E117-Y135 WeakPolarHBondContact CG-OH 3.44Å; E117-Y135 PolarHBondContact OE1-OH 3.42Å
118	S	95.5	Very high	94.3	Very high	61 Å²	61	53.6 Å²	53.6	43%	0.427	28%	0.284	S	S	.	.	H	α-helix	trans	-67.1	-31.6	177.9	73.8	0	0	0	0	112.5	N115 M116 L120 E121	N115-S118 WeakPolarHBondContact CB-OG 3.43Å; N115-S118 PolarHBondContact O-N 3.04Å; N115-S118 PolarHBondContact O-OG 2.79Å; M116-S118 VanDerWaalsContact C-N 3.32Å; M116-S118 PolarHBondContact O-N 3.38Å; S118-L120 PolarHBondContact O-N 3.05Å; S118-E121 WeakPolarHBondContact O-CB 3.29Å; S118-E121 WeakPolarHBondContact O-CG 3.05Å; S118-E121 PolarHBondContact O-N 2.77Å; S118-E121 VanDerWaalsContact O-N 3.08Å
119	R	96.1	Very high	94.7	Very high	56 Å²	56	53.1 Å²	53.1	21%	0.211	29%	0.285	C	S	.	.	H	α-helix	trans	-65.2	-21.1	176	-67.2	-172.1	68.2	-153.7	0.2	113.1	D78 L80 N115 M116 E117 E121 E122	D78-R119 VanDerWaalsContact CG-NH2 3.32Å; D78-R119 IonicContact OD1-CZ 3.34Å; D78-R119 VanDerWaalsContact OD1-CZ 3.32Å; D78-R119 IonicContact OD1-NH1 3.2Å; D78-R119 PolarHBondContact OD1-NH1 2.86Å; D78-R119 IonicContact OD1-NH2 3.99Å; D78-R119 PolarHBondContact OD1-NH2 2.93Å; D78-R119 IonicContact OD2-CZ 2.97Å; D78-R119 IonicContact OD2-NH2 3.4Å; D78-R119 PolarHBondContact OD2-NH2 3.26Å; L80-R119 HydrophobicContact CD1-CB 4.46Å; L80-R119 VanDerWaalsContact CD1-NH2 3.34Å; L80-R119 HydrophobicContact CD2-CB 4.28Å; N115-R119 WeakPolarHBondContact O-CG 3.3Å; N115-R119 PolarHBondContact O-N 3.18Å; M116-R119 HydrophobicContact CE-CB 4.18Å; M116-R119 WeakPolarHBondContact O-CB 3.47Å; M116-R119 PolarHBondContact O-N 2.87Å; M116-R119 VanDerWaalsContact O-N 3.16Å; E117-R119 VanDerWaalsContact C-N 3.3Å; E117-R119 PolarHBondContact O-N 3.45Å; R119-E121 PolarHBondContact O-N 2.75Å; R119-E121 VanDerWaalsContact O-N 3.16Å; R119-E122 WeakPolarHBondContact CB-OE1 3.48Å; R119-E122 WeakPolarHBondContact CG-OE1 3.15Å; R119-E122 IonicContact CZ-OE1 2.76Å; R119-E122 IonicContact NE-OE1 2.65Å; R119-E122 PolarHBondContact NE-OE1 2.76Å; R119-E122 VanDerWaalsContact NE-OE1 3.1Å; R119-E122 IonicContact NH2-OE1 3.96Å; R119-E122 VanDerWaalsContact O-CB 3.24Å; R119-E122 WeakPolarHBondContact O-CB 3.41Å; R119-E122 WeakPolarHBondContact O-CG 3.23Å; R119-E122 PolarHBondContact O-N 3.23Å
120	L	96	Very high	94.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-58.7	-26.4	172	-71.5	179.1	0	0	0	112.3	L80 F83 W96 I99 M116 E117 S118 E122 I123 C124 Y135	L80-L120 HydrophobicContact CD2-CD2 4.43Å; F83-L120 HydrophobicContact CB-CD2 3.81Å; F83-L120 HydrophobicContact CD1-CD2 3.66Å; F83-L120 HydrophobicContact CD2-CD2 4.48Å; F83-L120 HydrophobicContact CE1-CD2 4.34Å; F83-L120 HydrophobicContact CG-CD2 3.73Å; W96-L120 HydrophobicContact CE3-CD1 3.51Å; W96-L120 HydrophobicContact CE3-CG 4.47Å; W96-L120 HydrophobicContact CZ3-CD1 3.71Å; W96-L120 HydrophobicContact CZ3-CG 4.24Å; I99-L120 HydrophobicContact CD1-CD1 3.87Å; M116-L120 PolarHBondContact O-N 3.22Å; E117-L120 WeakPolarHBondContact O-CB 3.14Å; E117-L120 PolarHBondContact O-N 3.1Å; S118-L120 PolarHBondContact O-N 3.05Å; L120-E122 PolarHBondContact O-N 2.72Å; L120-I123 HydrophobicContact CD2-CD1 4.35Å; L120-I123 PolarHBondContact O-N 3.13Å; L120-I123 VanDerWaalsContact O-N 3.1Å; L120-C124 WeakPolarHBondContact O-CA 3.49Å; L120-C124 VanDerWaalsContact O-CB 3.23Å; L120-C124 WeakPolarHBondContact O-CB 3.34Å; L120-C124 PolarHBondContact O-N 3.06Å; L120-Y135 HydrophobicContact CB-CD1 3.75Å; L120-Y135 HydrophobicContact CB-CE1 3.86Å; L120-Y135 HydrophobicContact CB-CG 4.39Å; L120-Y135 HydrophobicContact CD1-CD1 4.22Å; L120-Y135 HydrophobicContact CD1-CD2 4.15Å; L120-Y135 HydrophobicContact CD1-CE1 4.42Å; L120-Y135 HydrophobicContact CD1-CE2 4.4Å; L120-Y135 HydrophobicContact CD1-CG 4.08Å
121	E	96.9	Very high	94.5	Very high	72 Å²	72	62.4 Å²	62.4	34%	0.336	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-65.8	-15.8	177.2	-58.6	-174.5	-147.2	0	0	113.2	S118 R119 I123 K126 Y135 K141	S118-E121 WeakPolarHBondContact O-CB 3.29Å; S118-E121 WeakPolarHBondContact O-CG 3.05Å; S118-E121 PolarHBondContact O-N 2.77Å; S118-E121 VanDerWaalsContact O-N 3.08Å; R119-E121 PolarHBondContact O-N 2.75Å; R119-E121 VanDerWaalsContact O-N 3.16Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-K126 VanDerWaalsContact CD-CD 3.43Å; E121-K126 HydrophobicContact CG-CB 4.14Å; E121-K126 HydrophobicContact CG-CD 3.89Å; E121-K126 WeakPolarHBondContact OE1-CD 3.4Å; E121-K126 WeakPolarHBondContact OE1-CE 3.45Å; E121-K126 IonicContact OE1-NZ 2.75Å; E121-K126 PolarHBondContact OE1-NZ 3.1Å; E121-Y135 HydrophobicContact CG-CE1 4.1Å; E121-K141 WeakPolarHBondContact O-CD 3.24Å; E121-K141 PolarHBondContact O-NZ 2.88Å
122	E	97.6	Very high	94.6	Very high	76 Å²	76	65 Å²	65	36%	0.355	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-71.4	-26.5	173.3	-59.6	-179	-112.1	0	0	112.5	L80 R119 L120 K141 W145	L80-E122 HydrophobicContact CD1-CB 4.3Å; R119-E122 WeakPolarHBondContact CB-OE1 3.48Å; R119-E122 WeakPolarHBondContact CG-OE1 3.15Å; R119-E122 IonicContact CZ-OE1 2.76Å; R119-E122 IonicContact NE-OE1 2.65Å; R119-E122 PolarHBondContact NE-OE1 2.76Å; R119-E122 VanDerWaalsContact NE-OE1 3.1Å; R119-E122 IonicContact NH2-OE1 3.96Å; R119-E122 VanDerWaalsContact O-CB 3.24Å; R119-E122 WeakPolarHBondContact O-CB 3.41Å; R119-E122 WeakPolarHBondContact O-CG 3.23Å; R119-E122 PolarHBondContact O-N 3.23Å; L120-E122 PolarHBondContact O-N 2.72Å; E122-K141 CarbonylContact O-C 3.53Å; E122-K141 WeakPolarHBondContact O-CB 3.2Å; E122-W145 PolarHBondContact OE2-NE1 2.97Å
123	I	97.2	Very high	94.7	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124	-13.6	-175.8	61.3	166.2	0	0	0	113.3	L80 F83 I84 L120 E121 N138 T142 W145	L80-I123 HydrophobicContact CD2-CD1 3.87Å; L80-I123 HydrophobicContact CD2-CG1 4.18Å; F83-I123 HydrophobicContact CB-CD1 3.84Å; I84-I123 HydrophobicContact CD1-CG2 4.18Å; I84-I123 HydrophobicContact CG1-CB 4.39Å; I84-I123 HydrophobicContact CG1-CD1 3.68Å; I84-I123 HydrophobicContact CG1-CG2 4.07Å; L120-I123 HydrophobicContact CD2-CD1 4.35Å; L120-I123 PolarHBondContact O-N 3.13Å; L120-I123 VanDerWaalsContact O-N 3.1Å; E121-I123 VanDerWaalsContact C-N 3.33Å; I123-N138 PolarHBondContact O-N 3.4Å; I123-N138 VanDerWaalsContact O-O 3.08Å; I123-T142 PolarHBondContact O-OG1 2.63Å; I123-T142 VanDerWaalsContact O-OG1 3.09Å; I123-W145 HydrophobicContact CG2-CB 4.27Å; I123-W145 HydrophobicContact CG2-CD2 4.21Å; I123-W145 HydrophobicContact CG2-CE3 4.43Å; I123-W145 HydrophobicContact CG2-CG 4.11Å
124	C	97.2	Very high	94.9	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156.3	-177.1	-66.2	0	0	0	0	112.5	L120 Y135 R136 K141	L120-C124 WeakPolarHBondContact O-CA 3.49Å; L120-C124 VanDerWaalsContact O-CB 3.23Å; L120-C124 WeakPolarHBondContact O-CB 3.34Å; L120-C124 PolarHBondContact O-N 3.06Å; C124-Y135 HydrophobicContact CB-CD1 4.28Å; C124-R136 CarbonylContact C-O 3.6Å; C124-R136 WeakPolarHBondContact CA-O 3.43Å; C124-R136 VanDerWaalsContact CB-O 3.25Å; C124-R136 WeakPolarHBondContact CB-O 3.3Å; C124-K141 WeakPolarHBondContact O-CD 3.5Å; C124-K141 PolarHBondContact O-NZ 3.01Å
125	E	97.1	Very high	95.1	Very high	54 Å²	54	59.3 Å²	59.3	25%	0.252	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.6	161.5	-174.4	-173.4	163.6	0	0	109	K127 Y135 R136 N138	E125-K127 WeakPolarHBondContact OE1-CE 3.37Å; E125-K127 IonicContact OE1-NZ 3.71Å; E125-Y135 WeakPolarHBondContact O-CA 3.16Å; E125-R136 PolarHBondContact N-O 3.36Å; E125-R136 PolarHBondContact O-N 2.98Å; E125-R136 IonicContact OE2-CZ 3.72Å; E125-R136 IonicContact OE2-NE 3.57Å; E125-R136 IonicContact OE2-NH2 2.87Å; E125-R136 PolarHBondContact OE2-NH2 3.14Å; E125-N138 HydrophobicContact CB-CB 4.44Å
126	K	96.8	Very high	95.2	Very high	73 Å²	73	57.7 Å²	57.7	32%	0.317	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.4	176.2	-179.2	179.2	-175.7	-179	0	110.3	E121 S133 V134 Y135	E121-K126 VanDerWaalsContact CD-CD 3.43Å; E121-K126 HydrophobicContact CG-CB 4.14Å; E121-K126 HydrophobicContact CG-CD 3.89Å; E121-K126 WeakPolarHBondContact OE1-CD 3.4Å; E121-K126 WeakPolarHBondContact OE1-CE 3.45Å; E121-K126 IonicContact OE1-NZ 2.75Å; E121-K126 PolarHBondContact OE1-NZ 3.1Å; K126-S133 VanDerWaalsContact CE-OG 3.28Å; K126-S133 WeakPolarHBondContact CE-OG 2.97Å; K126-V134 WeakPolarHBondContact CA-O 3.46Å; K126-Y135 HydrophobicContact CB-CD1 4.17Å; K126-Y135 HydrophobicContact CB-CE1 4.01Å; K126-Y135 HydrophobicContact CD-CE1 3.94Å; K126-Y135 HydrophobicContact CG-CD1 4.38Å; K126-Y135 HydrophobicContact CG-CE1 3.9Å
127	K	96.6	Very high	95.4	Very high	93 Å²	93	59.2 Å²	59.2	40%	0.404	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.1	167.1	-70.4	-174.7	-179.1	173.3	0	109.6	F93 E125 V134	F93-K127 HydrophobicContact CD1-CB 4.43Å; F93-K127 HydrophobicContact CD1-CD 4.41Å; F93-K127 HydrophobicContact CD1-CG 4.45Å; F93-K127 HydrophobicContact CE1-CB 4.14Å; F93-K127 HydrophobicContact CE1-CD 3.69Å; F93-K127 HydrophobicContact CE1-CG 3.7Å; F93-K127 HydrophobicContact CE2-CD 3.95Å; F93-K127 HydrophobicContact CZ-CD 3.44Å; F93-K127 VanDerWaalsContact CZ-CD 3.44Å; F93-K127 HydrophobicContact CZ-CG 3.94Å; E125-K127 WeakPolarHBondContact OE1-CE 3.37Å; E125-K127 IonicContact OE1-NZ 3.71Å; K127-V134 HydrophobicContact CB-CG2 4Å; K127-V134 PolarHBondContact N-O 2.92Å; K127-V134 WeakPolarHBondContact O-CG2 3.47Å; K127-V134 PolarHBondContact O-N 3.47Å
128	C	93.7	Very high	95.5	Very high	89 Å²	89	57.7 Å²	57.7	60%	0.601	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.4	174.8	-56.7	0	0	0	0	108.7	I132	C128-I132 WeakPolarHBondContact CA-O 3.43Å
129	V	91.1	Very high	95.5	Very high	104 Å²	104	58.7 Å²	58.7	63%	0.63	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	98.6	173.1	-176.5	0	0	0	0	107.2	S131 I132	V129-S131 PolarHBondContact O-N 2.74Å; V129-I132 PolarHBondContact N-O 3.4Å; V129-I132 PolarHBondContact O-N 3Å; V129-I132 VanDerWaalsContact O-N 3.16Å
130	G	91	Very high	95.5	Very high	81 Å²	81	60.2 Å²	60.2	84%	0.835	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	-119.3	-170.7	0	0	0	0	0	111
131	S	90.5	Very high	95.6	Very high	123 Å²	123	63.5 Å²	63.5	86%	0.86	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-3.2	177.9	59.2	0	0	0	0	114.3	V129	V129-S131 PolarHBondContact O-N 2.74Å
132	I	92.5	Very high	95.6	Very high	101 Å²	101	60.1 Å²	60.1	52%	0.518	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.9	-175.1	-58.1	173.8	0	0	0	109.4	C128 V129 V134	C128-I132 WeakPolarHBondContact CA-O 3.43Å; V129-I132 PolarHBondContact N-O 3.4Å; V129-I132 PolarHBondContact O-N 3Å; V129-I132 VanDerWaalsContact O-N 3.16Å; I132-V134 HydrophobicContact CG2-CG1 4.18Å
133	S	95.5	Very high	95.6	Very high	29 Å²	29	57 Å²	57	20%	0.203	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	133	170.2	-64.1	0	0	0	0	110.1	K126	K126-S133 VanDerWaalsContact CE-OG 3.28Å; K126-S133 WeakPolarHBondContact CE-OG 2.97Å
134	V	96.8	Very high	95.6	Very high	28 Å²	28	62.4 Å²	62.4	17%	0.17	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.5	175.6	-63.2	0	0	0	0	110.9	F93 I94 K126 K127 I132	F93-V134 HydrophobicContact CB-CB 4.01Å; F93-V134 HydrophobicContact CB-CG2 3.82Å; F93-V134 HydrophobicContact CD1-CB 4.35Å; F93-V134 HydrophobicContact CD1-CG2 3.77Å; F93-V134 HydrophobicContact CG-CG2 4.05Å; I94-V134 WeakPolarHBondContact O-CA 3.3Å; K126-V134 WeakPolarHBondContact CA-O 3.46Å; K127-V134 HydrophobicContact CB-CG2 4Å; K127-V134 PolarHBondContact N-O 2.92Å; K127-V134 WeakPolarHBondContact O-CG2 3.47Å; K127-V134 PolarHBondContact O-N 3.47Å; I132-V134 HydrophobicContact CG2-CG1 4.18Å
135	Y	96.8	Very high	95.6	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.016	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.2	-170.1	-60.1	-91.6	0	0	0	110.5	F93 I94 W96 I99 E117 L120 E121 C124 E125 K126	F93-Y135 CarbonylContact C-O 3.45Å; F93-Y135 WeakPolarHBondContact CA-O 3.42Å; I94-Y135 PolarHBondContact N-O 3.34Å; I94-Y135 PolarHBondContact O-N 3.35Å; W96-Y135 HydrophobicContact CB-CE2 4.49Å; I99-Y135 HydrophobicContact CD1-CD2 4.47Å; E117-Y135 HydrophobicContact CG-CE2 4.21Å; E117-Y135 WeakPolarHBondContact CG-OH 3.44Å; E117-Y135 PolarHBondContact OE1-OH 3.42Å; L120-Y135 HydrophobicContact CB-CD1 3.75Å; L120-Y135 HydrophobicContact CB-CE1 3.86Å; L120-Y135 HydrophobicContact CB-CG 4.39Å; L120-Y135 HydrophobicContact CD1-CD1 4.22Å; L120-Y135 HydrophobicContact CD1-CD2 4.15Å; L120-Y135 HydrophobicContact CD1-CE1 4.42Å; L120-Y135 HydrophobicContact CD1-CE2 4.4Å; L120-Y135 HydrophobicContact CD1-CG 4.08Å; E121-Y135 HydrophobicContact CG-CE1 4.1Å; C124-Y135 HydrophobicContact CB-CD1 4.28Å; E125-Y135 WeakPolarHBondContact O-CA 3.16Å; K126-Y135 HydrophobicContact CB-CD1 4.17Å; K126-Y135 HydrophobicContact CB-CE1 4.01Å; K126-Y135 HydrophobicContact CD-CE1 3.94Å; K126-Y135 HydrophobicContact CG-CD1 4.38Å; K126-Y135 HydrophobicContact CG-CE1 3.9Å
136	R	96.9	Very high	95.6	Very high	90 Å²	90	60.9 Å²	60.9	34%	0.34	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.4	172.8	179.6	179.1	68.3	162.9	2.1	109.2	N91 F93 C124 E125 N138	N91-R136 WeakPolarHBondContact O-CD 3.5Å; F93-R136 HydrophobicContact CD1-CB 3.59Å; F93-R136 HydrophobicContact CD2-CB 4.24Å; F93-R136 HydrophobicContact CE1-CB 3.48Å; F93-R136 VanDerWaalsContact CE1-CB 3.48Å; F93-R136 HydrophobicContact CE2-CB 4.14Å; F93-R136 HydrophobicContact CG-CB 3.96Å; F93-R136 HydrophobicContact CZ-CB 3.76Å; C124-R136 CarbonylContact C-O 3.6Å; C124-R136 WeakPolarHBondContact CA-O 3.43Å; C124-R136 VanDerWaalsContact CB-O 3.25Å; C124-R136 WeakPolarHBondContact CB-O 3.3Å; E125-R136 PolarHBondContact N-O 3.36Å; E125-R136 PolarHBondContact O-N 2.98Å; E125-R136 IonicContact OE2-CZ 3.72Å; E125-R136 IonicContact OE2-NE 3.57Å; E125-R136 IonicContact OE2-NH2 2.87Å; E125-R136 PolarHBondContact OE2-NH2 3.14Å; R136-N138 PolarHBondContact O-N 3.01Å
137	F	97.4	Very high	95.6	Very high	36 Å²	36	58.4 Å²	58.4	16%	0.158	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	129.1	176.1	-177.7	-107.1	0	0	0	111.4	I84 C87 R88 E139 T142	I84-F137 HydrophobicContact CG2-CE2 4.42Å; C87-F137 HydrophobicContact CB-CB 4.04Å; C87-F137 HydrophobicContact CB-CD2 4.12Å; C87-F137 WeakPolarHBondContact O-CB 3.43Å; R88-F137 HydrophobicContact CB-CD1 4.44Å; R88-F137 HydrophobicContact CB-CD2 4.28Å; R88-F137 HydrophobicContact CB-CE1 4.28Å; R88-F137 HydrophobicContact CB-CE2 4.11Å; R88-F137 HydrophobicContact CB-CG 4.43Å; R88-F137 HydrophobicContact CB-CZ 4.12Å; R88-F137 HydrophobicContact CG-CE1 4.24Å; R88-F137 HydrophobicContact CG-CZ 4.32Å; F137-E139 HydrophobicContact CE1-CB 4.02Å; F137-E139 HydrophobicContact CE1-CG 4.43Å; F137-T142 HydrophobicContact CE2-CG2 3.92Å; F137-T142 WeakPolarHBondContact CE2-OG1 3.49Å; F137-T142 HydrophobicContact CZ-CG2 4.04Å
138	N	97	Very high	95.6	Very high	42 Å²	42	58.7 Å²	58.7	23%	0.225	34%	0.343	C	S	.	.			trans	-120.3	109.3	176	-176.3	-41.4	0	0	0	108.6	I123 E125 R136 S140 K141 T142	I123-N138 PolarHBondContact O-N 3.4Å; I123-N138 VanDerWaalsContact O-O 3.08Å; E125-N138 HydrophobicContact CB-CB 4.44Å; R136-N138 PolarHBondContact O-N 3.01Å; N138-S140 PolarHBondContact O-N 3.14Å; N138-S140 WeakPolarHBondContact OD1-CB 3.45Å; N138-S140 PolarHBondContact OD1-N 2.97Å; N138-K141 HydrophobicContact CB-CB 4.09Å; N138-K141 HydrophobicContact CB-CD 4.12Å; N138-K141 HydrophobicContact CB-CG 4.21Å; N138-K141 PolarHBondContact O-N 3.12Å; N138-K141 PolarHBondContact OD1-N 3.3Å; N138-K141 VanDerWaalsContact OD1-N 3.1Å; N138-T142 WeakPolarHBondContact O-CB 3.29Å; N138-T142 PolarHBondContact O-N 3.29Å; N138-T142 PolarHBondContact O-OG1 2.89Å
139	E	95.8	Very high	95.7	Very high	82 Å²	82	58.6 Å²	58.6	38%	0.383	33%	0.33	S	S	.	.	H	α-helix	trans	-62.6	-43	-176.8	-169.1	-177.4	130.2	0	0	112.2	F137 K141 T142 M143 K229	F137-E139 HydrophobicContact CE1-CB 4.02Å; F137-E139 HydrophobicContact CE1-CG 4.43Å; E139-K141 PolarHBondContact O-N 3.43Å; E139-T142 PolarHBondContact O-N 3.31Å; E139-M143 HydrophobicContact CG-CG 4.27Å; E139-M143 WeakPolarHBondContact O-CB 3.3Å; E139-M143 VanDerWaalsContact O-CG 3.24Å; E139-M143 WeakPolarHBondContact O-CG 3.24Å; E139-M143 PolarHBondContact O-N 3.44Å; E139-K229 WeakPolarHBondContact OE1-CD 3.42Å; E139-K229 VanDerWaalsContact OE1-CE 3.29Å; E139-K229 WeakPolarHBondContact OE1-CE 3.24Å; E139-K229 IonicContact OE1-NZ 3.98Å; E139-K229 PolarHBondContact OE1-NZ 2.65Å; E139-K229 IonicContact OE2-NZ 2.68Å; E139-K229 PolarHBondContact OE2-NZ 3.34Å
140	S	96.2	Very high	96	Very high	87 Å²	87	53.9 Å²	53.9	61%	0.608	30%	0.301	S	S	*	.	H	α-helix	trans	-60.3	-46.8	-178.7	-176.7	0	0	0	0	111.7	N138 M143 E144	N138-S140 PolarHBondContact O-N 3.14Å; N138-S140 WeakPolarHBondContact OD1-CB 3.45Å; N138-S140 PolarHBondContact OD1-N 2.97Å; S140-M143 PolarHBondContact O-N 3.1Å; S140-E144 PolarHBondContact O-N 3.36Å
141	K	97.5	Very high	96.2	Very high	70 Å²	70	52 Å²	52	30%	0.304	28%	0.275	S	S	.	.	H	α-helix	trans	-61.3	-47.3	174.5	-75.5	-171.8	167.5	-164.3	0	112	E121 E122 C124 N138 E139 M143 E144 W145	E121-K141 WeakPolarHBondContact O-CD 3.24Å; E121-K141 PolarHBondContact O-NZ 2.88Å; E122-K141 CarbonylContact O-C 3.53Å; E122-K141 WeakPolarHBondContact O-CB 3.2Å; C124-K141 WeakPolarHBondContact O-CD 3.5Å; C124-K141 PolarHBondContact O-NZ 3.01Å; N138-K141 HydrophobicContact CB-CB 4.09Å; N138-K141 HydrophobicContact CB-CD 4.12Å; N138-K141 HydrophobicContact CB-CG 4.21Å; N138-K141 PolarHBondContact O-N 3.12Å; N138-K141 PolarHBondContact OD1-N 3.3Å; N138-K141 VanDerWaalsContact OD1-N 3.1Å; E139-K141 PolarHBondContact O-N 3.43Å; K141-M143 VanDerWaalsContact C-N 3.3Å; K141-M143 PolarHBondContact O-N 3.03Å; K141-E144 WeakPolarHBondContact O-CB 3.37Å; K141-E144 PolarHBondContact O-N 3.35Å; K141-E144 VanDerWaalsContact O-N 3.1Å; K141-W145 WeakPolarHBondContact O-CB 3.27Å; K141-W145 PolarHBondContact O-N 2.87Å
142	T	97.4	Very high	96.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.5	-43.6	177.5	-58	0	0	0	0	111.2	I84 I123 F137 N138 E139 E144 W145 L146	I84-T142 HydrophobicContact CD1-CG2 4.05Å; I84-T142 HydrophobicContact CG1-CG2 4.1Å; I84-T142 HydrophobicContact CG2-CG2 4.23Å; I123-T142 PolarHBondContact O-OG1 2.63Å; I123-T142 VanDerWaalsContact O-OG1 3.09Å; F137-T142 HydrophobicContact CE2-CG2 3.92Å; F137-T142 WeakPolarHBondContact CE2-OG1 3.49Å; F137-T142 HydrophobicContact CZ-CG2 4.04Å; N138-T142 WeakPolarHBondContact O-CB 3.29Å; N138-T142 PolarHBondContact O-N 3.29Å; N138-T142 PolarHBondContact O-OG1 2.89Å; E139-T142 PolarHBondContact O-N 3.31Å; T142-E144 VanDerWaalsContact C-N 3.33Å; T142-E144 PolarHBondContact O-N 2.81Å; T142-W145 PolarHBondContact O-N 2.72Å; T142-L146 HydrophobicContact CG2-CD1 3.98Å; T142-L146 HydrophobicContact CG2-CG 4.31Å; T142-L146 WeakPolarHBondContact O-CB 3.03Å; T142-L146 VanDerWaalsContact O-CG 3.24Å; T142-L146 WeakPolarHBondContact O-CG 3.29Å; T142-L146 PolarHBondContact O-N 2.8Å
143	M	96.5	Very high	96.5	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.059	24%	0.241	C	C	.	.	H	α-helix	trans	-65.7	-34.4	177.4	-69.4	-46.4	-57.2	0	0	112.6	E139 S140 K141 L146 S147 L226 K229 L230 K233	E139-M143 HydrophobicContact CG-CG 4.27Å; E139-M143 WeakPolarHBondContact O-CB 3.3Å; E139-M143 VanDerWaalsContact O-CG 3.24Å; E139-M143 WeakPolarHBondContact O-CG 3.24Å; E139-M143 PolarHBondContact O-N 3.44Å; S140-M143 PolarHBondContact O-N 3.1Å; K141-M143 VanDerWaalsContact C-N 3.3Å; K141-M143 PolarHBondContact O-N 3.03Å; M143-L146 HydrophobicContact SD-CD1 4.31Å; M143-S147 WeakPolarHBondContact O-CB 3.46Å; M143-S147 PolarHBondContact O-N 3.08Å; M143-S147 VanDerWaalsContact O-N 3.12Å; M143-S147 PolarHBondContact O-OG 2.94Å; M143-L226 HydrophobicContact SD-CD2 4.25Å; M143-K229 VanDerWaalsContact CE-C 3.48Å; M143-K229 HydrophobicContact CE-CB 3.9Å; M143-K229 HydrophobicContact SD-CB 4.06Å; M143-L230 HydrophobicContact CE-CB 3.77Å; M143-L230 HydrophobicContact CE-CD1 3.94Å; M143-L230 HydrophobicContact CE-CG 4.49Å; M143-L230 VanDerWaalsContact CE-N 3.31Å; M143-K233 HydrophobicContact CB-CD 4.04Å; M143-K233 HydrophobicContact CE-CB 4.5Å; M143-K233 HydrophobicContact CE-CD 4.33Å; M143-K233 PolarHBondContact O-NZ 3.12Å; M143-K233 VanDerWaalsContact O-NZ 3.08Å
144	E	96.7	Very high	96.4	Very high	113 Å²	113	46 Å²	46	53%	0.528	24%	0.239	S	C	.	.	H	α-helix	trans	-67	-47.3	173	-175.9	174.9	-175.9	0	0	111.3	S140 K141 T142 L146 S147 N148 K233	S140-E144 PolarHBondContact O-N 3.36Å; K141-E144 WeakPolarHBondContact O-CB 3.37Å; K141-E144 PolarHBondContact O-N 3.35Å; K141-E144 VanDerWaalsContact O-N 3.1Å; T142-E144 VanDerWaalsContact C-N 3.33Å; T142-E144 PolarHBondContact O-N 2.81Å; E144-L146 PolarHBondContact O-N 2.96Å; E144-S147 PolarHBondContact O-N 2.67Å; E144-N148 VanDerWaalsContact O-CG 3.28Å; E144-N148 PolarHBondContact O-N 2.75Å; E144-N148 PolarHBondContact O-ND2 2.99Å; E144-K233 VanDerWaalsContact CA-NZ 3.31Å; E144-K233 VanDerWaalsContact N-NZ 3.14Å
145	W	97.8	Very high	96.3	Very high	21 Å²	21	50.2 Å²	50.2	8%	0.08	26%	0.255	C	S	.	.	H	α-helix	trans	-56.9	-47.1	176	-175	85.2	0	0	0	112.4	D78 L80 F81 I84 E122 I123 K141 T142 N148 R149	D78-W145 HydrophobicContact CB-CH2 4.49Å; L80-W145 HydrophobicContact CB-CH2 3.95Å; L80-W145 HydrophobicContact CB-CZ2 3.78Å; L80-W145 HydrophobicContact CD1-CD2 4.46Å; L80-W145 HydrophobicContact CD1-CZ2 3.69Å; L80-W145 HydrophobicContact CG-CZ2 4.36Å; F81-W145 HydrophobicContact CD1-CZ3 4.38Å; F81-W145 HydrophobicContact CD2-CH2 4.48Å; F81-W145 HydrophobicContact CE1-CH2 4.26Å; F81-W145 HydrophobicContact CE1-CZ3 4Å; F81-W145 HydrophobicContact CE2-CH2 4.17Å; F81-W145 HydrophobicContact CZ-CH2 4.06Å; F81-W145 HydrophobicContact CZ-CZ3 4.17Å; I84-W145 HydrophobicContact CD1-CE3 3.78Å; I84-W145 HydrophobicContact CD1-CH2 4.41Å; I84-W145 HydrophobicContact CD1-CZ3 3.54Å; E122-W145 PolarHBondContact OE2-NE1 2.97Å; I123-W145 HydrophobicContact CG2-CB 4.27Å; I123-W145 HydrophobicContact CG2-CD2 4.21Å; I123-W145 HydrophobicContact CG2-CE3 4.43Å; I123-W145 HydrophobicContact CG2-CG 4.11Å; K141-W145 WeakPolarHBondContact O-CB 3.27Å; K141-W145 PolarHBondContact O-N 2.87Å; T142-W145 PolarHBondContact O-N 2.72Å; W145-N148 WeakPolarHBondContact O-CB 3.14Å; W145-N148 PolarHBondContact O-N 3.17Å; W145-R149 PolarHBondContact O-N 3.34Å
146	L	97.9	Very high	96.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-44.2	177.7	-70.1	174.2	0	0	0	112.6	F81 I84 T142 M143 E144 N148 R149 V150 V218 L222 L230	F81-L146 HydrophobicContact CE1-CD2 4.17Å; I84-L146 HydrophobicContact CD1-CD2 4.35Å; T142-L146 HydrophobicContact CG2-CD1 3.98Å; T142-L146 HydrophobicContact CG2-CG 4.31Å; T142-L146 WeakPolarHBondContact O-CB 3.03Å; T142-L146 VanDerWaalsContact O-CG 3.24Å; T142-L146 WeakPolarHBondContact O-CG 3.29Å; T142-L146 PolarHBondContact O-N 2.8Å; M143-L146 HydrophobicContact SD-CD1 4.31Å; E144-L146 PolarHBondContact O-N 2.96Å; L146-N148 VanDerWaalsContact C-N 3.28Å; L146-N148 PolarHBondContact O-N 3.33Å; L146-R149 WeakPolarHBondContact O-CB 3.36Å; L146-R149 PolarHBondContact O-N 3.24Å; L146-R149 VanDerWaalsContact O-N 3.12Å; L146-V150 PolarHBondContact O-N 3.09Å; L146-V218 HydrophobicContact CD2-CG1 3.95Å; L146-L222 HydrophobicContact CD1-CD1 3.73Å; L146-L222 HydrophobicContact CD1-CD2 4.05Å; L146-L222 HydrophobicContact CD2-CD1 3.9Å; L146-L222 HydrophobicContact CD2-CD2 3.81Å; L146-L222 HydrophobicContact CD2-CG 4.39Å; L146-L222 HydrophobicContact CG-CD1 4.4Å; L146-L230 HydrophobicContact CB-CD1 3.83Å; L146-L230 HydrophobicContact CB-CD2 4.26Å
147	S	96	Very high	95.7	Very high	22 Å²	22	49.7 Å²	49.7	15%	0.154	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-39.8	175.5	-64.6	0	0	0	0	112	M143 E144 R149 V150 S151 K233	M143-S147 WeakPolarHBondContact O-CB 3.46Å; M143-S147 PolarHBondContact O-N 3.08Å; M143-S147 VanDerWaalsContact O-N 3.12Å; M143-S147 PolarHBondContact O-OG 2.94Å; E144-S147 PolarHBondContact O-N 2.67Å; S147-R149 VanDerWaalsContact C-N 3.31Å; S147-R149 PolarHBondContact O-N 3.36Å; S147-V150 PolarHBondContact O-N 3.37Å; S147-S151 WeakPolarHBondContact O-CB 3.47Å; S147-S151 PolarHBondContact O-N 3.21Å; S147-K233 VanDerWaalsContact OG-CD 3.29Å; S147-K233 WeakPolarHBondContact OG-CD 3.15Å; S147-K233 WeakPolarHBondContact OG-CE 3.34Å
148	N	96.7	Very high	95.3	Very high	98 Å²	98	52 Å²	52	52%	0.524	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-38.3	175.4	-71.3	-23.5	0	0	0	111.6	E144 W145 L146 S151 A152	E144-N148 VanDerWaalsContact O-CG 3.28Å; E144-N148 PolarHBondContact O-N 2.75Å; E144-N148 PolarHBondContact O-ND2 2.99Å; W145-N148 WeakPolarHBondContact O-CB 3.14Å; W145-N148 PolarHBondContact O-N 3.17Å; L146-N148 VanDerWaalsContact C-N 3.28Å; L146-N148 PolarHBondContact O-N 3.33Å; N148-S151 WeakPolarHBondContact O-CB 3.41Å; N148-S151 PolarHBondContact O-N 3.04Å; N148-A152 WeakPolarHBondContact O-CB 3.36Å; N148-A152 PolarHBondContact O-N 2.82Å
149	R	96.5	Very high	95	Very high	87 Å²	87	56 Å²	56	33%	0.328	30%	0.297	S	S	.	.	H	α-helix	trans	-65.8	-46.1	176.4	-161.7	67.1	172.1	-151.4	-2.4	112.2	D78 W145 L146 S147 S151 A152 V153 V218	D78-R149 IonicContact OD2-CZ 2.72Å; D78-R149 IonicContact OD2-NH1 2.67Å; D78-R149 PolarHBondContact OD2-NH1 3.34Å; D78-R149 IonicContact OD2-NH2 2.74Å; W145-R149 PolarHBondContact O-N 3.34Å; L146-R149 WeakPolarHBondContact O-CB 3.36Å; L146-R149 PolarHBondContact O-N 3.24Å; L146-R149 VanDerWaalsContact O-N 3.12Å; S147-R149 VanDerWaalsContact C-N 3.31Å; S147-R149 PolarHBondContact O-N 3.36Å; R149-S151 VanDerWaalsContact C-N 3.29Å; R149-S151 PolarHBondContact O-N 3.5Å; R149-A152 PolarHBondContact O-N 2.98Å; R149-V153 WeakPolarHBondContact O-CG2 3.16Å; R149-V153 PolarHBondContact O-N 3.05Å; R149-V218 HydrophobicContact CB-CG2 4.25Å; R149-V218 HydrophobicContact CG-CG2 3.91Å
150	V	96.4	Very high	94.5	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.03	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-43	174.6	177.6	0	0	0	0	110.3	L146 S147 A152 V153 Y154 A214 V218 L230 I234	L146-V150 PolarHBondContact O-N 3.09Å; S147-V150 PolarHBondContact O-N 3.37Å; V150-A152 VanDerWaalsContact C-N 3.33Å; V150-A152 PolarHBondContact O-N 2.75Å; V150-V153 PolarHBondContact O-N 3.42Å; V150-Y154 VanDerWaalsContact O-CB 3.23Å; V150-Y154 WeakPolarHBondContact O-CB 3.25Å; V150-Y154 PolarHBondContact O-N 2.68Å; V150-A214 HydrophobicContact CG1-CB 3.9Å; V150-V218 HydrophobicContact CG2-CB 3.84Å; V150-V218 HydrophobicContact CG2-CG1 4.11Å; V150-V218 HydrophobicContact CG2-CG2 3.76Å; V150-L230 HydrophobicContact CG2-CD2 4.11Å; V150-I234 HydrophobicContact CB-CD1 3.89Å; V150-I234 HydrophobicContact CG1-CD1 3.76Å; V150-I234 HydrophobicContact CG2-CD1 3.84Å
151	S	95.5	Very high	94	Very high	42 Å²	42	58.5 Å²	58.5	29%	0.294	30%	0.299	S	S	.	.	H	α-helix	trans	-60.2	-40.5	176	-170.3	0	0	0	0	112.6	S147 N148 R149 Y154 K155	S147-S151 WeakPolarHBondContact O-CB 3.47Å; S147-S151 PolarHBondContact O-N 3.21Å; N148-S151 WeakPolarHBondContact O-CB 3.41Å; N148-S151 PolarHBondContact O-N 3.04Å; R149-S151 VanDerWaalsContact C-N 3.29Å; R149-S151 PolarHBondContact O-N 3.5Å; S151-Y154 PolarHBondContact O-N 3.19Å; S151-K155 WeakPolarHBondContact O-CB 3.45Å; S151-K155 VanDerWaalsContact O-CG 3.24Å; S151-K155 WeakPolarHBondContact O-CG 2.89Å; S151-K155 PolarHBondContact O-N 3.05Å; S151-K155 WeakPolarHBondContact OG-CE 3.18Å
152	A	95.9	Very high	93.5	Very high	55 Å²	55	58.8 Å²	58.8	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-64.4	-46.6	178.1	0	0	0	0	0	112	N148 R149 V150 K155 A156	N148-A152 WeakPolarHBondContact O-CB 3.36Å; N148-A152 PolarHBondContact O-N 2.82Å; R149-A152 PolarHBondContact O-N 2.98Å; V150-A152 VanDerWaalsContact C-N 3.33Å; V150-A152 PolarHBondContact O-N 2.75Å; A152-K155 PolarHBondContact O-N 2.72Å; A152-A156 PolarHBondContact O-N 2.92Å
153	V	94.2	Very high	92.8	Very high	35 Å²	35	62.7 Å²	62.7	21%	0.212	33%	0.33	C	S	.	.	H	α-helix	trans	-65.1	-43.5	176.8	179.1	0	0	0	0	110.7	R149 V150 K155 A156 S157 A214 L217	R149-V153 WeakPolarHBondContact O-CG2 3.16Å; R149-V153 PolarHBondContact O-N 3.05Å; V150-V153 PolarHBondContact O-N 3.42Å; V153-K155 VanDerWaalsContact C-N 3.34Å; V153-K155 PolarHBondContact O-N 2.85Å; V153-A156 PolarHBondContact O-N 3.1Å; V153-A156 VanDerWaalsContact O-N 3.15Å; V153-S157 PolarHBondContact O-N 3.45Å; V153-S157 PolarHBondContact O-OG 2.74Å; V153-A214 HydrophobicContact CB-CB 3.84Å; V153-A214 HydrophobicContact CG1-CB 3.74Å; V153-L217 HydrophobicContact CG1-CD1 3.75Å
154	Y	93.8	Very high	92.2	Very high	37 Å²	37	66.4 Å²	66.4	15%	0.145	35%	0.352	C	S	.	.	H	α-helix	trans	-55.7	-48.4	174.9	162.9	-96.4	0	0	0	111.4	V150 S151 A156 S157 F158 H207 C210 L211	V150-Y154 VanDerWaalsContact O-CB 3.23Å; V150-Y154 WeakPolarHBondContact O-CB 3.25Å; V150-Y154 PolarHBondContact O-N 2.68Å; S151-Y154 PolarHBondContact O-N 3.19Å; Y154-A156 VanDerWaalsContact C-N 3.33Å; Y154-A156 PolarHBondContact O-N 2.76Å; Y154-S157 PolarHBondContact O-N 2.7Å; Y154-F158 HydrophobicContact CE2-CB 4.33Å; Y154-F158 HydrophobicContact CE2-CD2 4.48Å; Y154-F158 WeakPolarHBondContact O-CB 3.21Å; Y154-F158 PolarHBondContact O-N 2.71Å; Y154-H207 AromaticContact CE2-CD2 3.98Å; Y154-H207 AromaticContact CE2-NE2 3.93Å; Y154-H207 AromaticContact CZ-CD2 3.67Å; Y154-H207 AromaticContact CZ-NE2 3.57Å; Y154-H207 PolarHBondContact OH-CD2 2.64Å; Y154-H207 PolarHBondContact OH-NE2 2.82Å; Y154-H207 VanDerWaalsContact OH-NE2 3.14Å; Y154-C210 HydrophobicContact CD2-CB 3.63Å; Y154-C210 HydrophobicContact CE2-CB 3.74Å; Y154-L211 HydrophobicContact CD2-CB 3.92Å; Y154-L211 HydrophobicContact CE2-CB 4.34Å
155	K	94.2	Very high	91.7	Very high	116 Å²	116	64.6 Å²	64.6	50%	0.504	35%	0.346	S	S	.	.	H	α-helix	trans	-61.1	-41.7	177.3	-74.4	169.9	-173.6	174.6	0	111.4	S151 A152 V153 H159	S151-K155 WeakPolarHBondContact O-CB 3.45Å; S151-K155 VanDerWaalsContact O-CG 3.24Å; S151-K155 WeakPolarHBondContact O-CG 2.89Å; S151-K155 PolarHBondContact O-N 3.05Å; S151-K155 WeakPolarHBondContact OG-CE 3.18Å; A152-K155 PolarHBondContact O-N 2.72Å; V153-K155 VanDerWaalsContact C-N 3.34Å; V153-K155 PolarHBondContact O-N 2.85Å; K155-H159 WeakPolarHBondContact O-CB 3.2Å; K155-H159 PolarHBondContact O-N 2.88Å; K155-H159 VanDerWaalsContact O-N 3.08Å; K155-H159 PolarHBondContact O-ND1 3.36Å
156	A	92.4	Very high	91	Very high	68 Å²	68	64.1 Å²	64.1	56%	0.562	35%	0.345	S	S	*	.	H	α-helix	trans	-63.3	-45.9	178.2	0	0	0	0	0	111.7	A152 V153 Y154 C160	A152-A156 PolarHBondContact O-N 2.92Å; V153-A156 PolarHBondContact O-N 3.1Å; V153-A156 VanDerWaalsContact O-N 3.15Å; Y154-A156 VanDerWaalsContact C-N 3.33Å; Y154-A156 PolarHBondContact O-N 2.76Å; A156-C160 PolarHBondContact O-N 2.87Å
157	S	88.7	Confident	90.3	Very high	16 Å²	16	66.9 Å²	66.9	11%	0.112	36%	0.364	C	S	.	.	H	α-helix	trans	-67.1	-41.8	178.5	-59.4	0	0	0	0	112.5	V153 Y154 C160	V153-S157 PolarHBondContact O-N 3.45Å; V153-S157 PolarHBondContact O-OG 2.74Å; Y154-S157 PolarHBondContact O-N 2.7Å; S157-C160 VanDerWaalsContact O-CB 3.23Å; S157-C160 WeakPolarHBondContact O-CB 3.42Å; S157-C160 PolarHBondContact O-N 2.91Å
158	F	88.5	Confident	89.6	Confident	84 Å²	84	70.3 Å²	70.3	37%	0.368	38%	0.378	S	S	.	.	H	α-helix	trans	-69.3	-33.8	-178.5	-172.7	-103.8	0	0	0	113	Y154 C160	Y154-F158 HydrophobicContact CE2-CB 4.33Å; Y154-F158 HydrophobicContact CE2-CD2 4.48Å; Y154-F158 WeakPolarHBondContact O-CB 3.21Å; Y154-F158 PolarHBondContact O-N 2.71Å; F158-C160 VanDerWaalsContact C-N 3.29Å
159	H	89.9	Confident	88.9	Confident	127 Å²	127	67.6 Å²	67.6	59%	0.588	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	4.9	175.3	-63.7	103.8	0	0	0	113.5	K155 K161	K155-H159 WeakPolarHBondContact O-CB 3.2Å; K155-H159 PolarHBondContact O-N 2.88Å; K155-H159 VanDerWaalsContact O-N 3.08Å; K155-H159 PolarHBondContact O-ND1 3.36Å; H159-K161 PolarHBondContact O-N 3.12Å
160	C	86.7	Confident	88.3	Confident	32 Å²	32	65.6 Å²	65.6	22%	0.216	36%	0.358	C	S	.	.			trans	-65.5	120.1	175.5	-169.9	0	0	0	0	109.6	A156 S157 F158 I166	A156-C160 PolarHBondContact O-N 2.87Å; S157-C160 VanDerWaalsContact O-CB 3.23Å; S157-C160 WeakPolarHBondContact O-CB 3.42Å; S157-C160 PolarHBondContact O-N 2.91Å; F158-C160 VanDerWaalsContact C-N 3.29Å; C160-I166 WeakPolarHBondContact O-CD1 3.5Å
161	K	85.5	Confident	87.4	Confident	189 Å²	189	68.1 Å²	68.1	82%	0.822	38%	0.375	S	S	*	.			trans	-107.3	-5.7	179.9	-64.8	179.8	-177	178.9	0	113	H159 P163	H159-K161 PolarHBondContact O-N 3.12Å; K161-P163 WeakPolarHBondContact O-CD 3.49Å
162	N	86.3	Confident	86.6	Confident	75 Å²	75	69.9 Å²	69.9	40%	0.401	38%	0.384	S	S	.	.			trans	-76.8	115.3	-178.3	-176.4	-27.9	0	0	0	108.6	V164 L165 I166	N162-V164 PolarHBondContact O-N 3.39Å; N162-V164 WeakPolarHBondContact OD1-CB 3.5Å; N162-V164 PolarHBondContact OD1-N 3.42Å; N162-L165 HydrophobicContact CB-CB 4.11Å; N162-L165 HydrophobicContact CB-CD1 3.9Å; N162-L165 HydrophobicContact CB-CG 3.91Å; N162-L165 PolarHBondContact O-N 3.19Å; N162-I166 WeakPolarHBondContact O-CG1 3.5Å; N162-I166 PolarHBondContact O-N 3.36Å
163	P	83.6	Confident	85.6	Confident	83 Å²	83	69.6 Å²	69.6	54%	0.539	38%	0.377	S	S	.	.	H	α-helix	trans	-59.9	-35.3	-176.8	24.6	-34	0	0	0	112.3	K161 I166 S167	K161-P163 WeakPolarHBondContact O-CD 3.49Å; P163-I166 PolarHBondContact O-N 3.4Å; P163-S167 PolarHBondContact O-N 2.83Å; P163-S167 PolarHBondContact O-OG 2.96Å; P163-S167 VanDerWaalsContact O-OG 3.12Å
164	V	83.8	Confident	84.6	Confident	89 Å²	89	72 Å²	72	54%	0.539	39%	0.392	S	S	.	.	H	α-helix	trans	-64.1	-46.6	178.6	-179.1	0	0	0	0	110.8	N162 I166 S167 Q168	N162-V164 PolarHBondContact O-N 3.39Å; N162-V164 WeakPolarHBondContact OD1-CB 3.5Å; N162-V164 PolarHBondContact OD1-N 3.42Å; V164-I166 VanDerWaalsContact C-N 3.34Å; V164-I166 PolarHBondContact O-N 2.9Å; V164-S167 PolarHBondContact O-N 3.06Å; V164-Q168 WeakPolarHBondContact O-CG 3.37Å; V164-Q168 PolarHBondContact O-N 3.43Å
165	L	84.7	Confident	83.3	Confident	76 Å²	76	73.5 Å²	73.5	40%	0.398	41%	0.408	S	S	.	.	H	α-helix	trans	-65.9	-39.2	178.6	-63.3	-177.9	0	0	0	111.3	N162 Q168 L169	N162-L165 HydrophobicContact CB-CB 4.11Å; N162-L165 HydrophobicContact CB-CD1 3.9Å; N162-L165 HydrophobicContact CB-CG 3.91Å; N162-L165 PolarHBondContact O-N 3.19Å; L165-Q168 PolarHBondContact O-N 3.47Å; L165-L169 WeakPolarHBondContact O-CB 3.29Å; L165-L169 VanDerWaalsContact O-CG 3.28Å; L165-L169 WeakPolarHBondContact O-CG 3.37Å; L165-L169 PolarHBondContact O-N 3.12Å
166	I	84.3	Confident	81.7	Confident	11 Å²	11	72.9 Å²	72.9	6%	0.056	42%	0.418	C	S	.	.	H	α-helix	trans	-60.8	-47.4	177	-67.2	162.2	0	0	0	110.4	C160 N162 P163 V164 Q168 L169 Q170 N203	C160-I166 WeakPolarHBondContact O-CD1 3.5Å; N162-I166 WeakPolarHBondContact O-CG1 3.5Å; N162-I166 PolarHBondContact O-N 3.36Å; P163-I166 PolarHBondContact O-N 3.4Å; V164-I166 VanDerWaalsContact C-N 3.34Å; V164-I166 PolarHBondContact O-N 2.9Å; I166-Q168 VanDerWaalsContact C-N 3.34Å; I166-Q168 PolarHBondContact O-N 3.43Å; I166-L169 PolarHBondContact O-N 3.22Å; I166-Q170 HydrophobicContact CG2-CG 4.5Å; I166-Q170 WeakPolarHBondContact O-CG 3.48Å; I166-Q170 PolarHBondContact O-N 3.16Å; I166-N203 WeakPolarHBondContact CD1-O 3.49Å
167	S	81.9	Confident	79.9	Confident	58 Å²	58	74.1 Å²	74.1	41%	0.406	42%	0.422	S	S	.	.	H	α-helix	trans	-61.4	-41.1	177.1	-61.6	0	0	0	0	112.1	P163 V164 Q170 S171	P163-S167 PolarHBondContact O-N 2.83Å; P163-S167 PolarHBondContact O-OG 2.96Å; P163-S167 VanDerWaalsContact O-OG 3.12Å; V164-S167 PolarHBondContact O-N 3.06Å; S167-Q170 PolarHBondContact O-N 3.39Å; S167-S171 PolarHBondContact O-N 3.4Å
168	Q	82.7	Confident	77.8	Confident	93 Å²	93	76.8 Å²	76.8	44%	0.435	44%	0.441	S	S	.	.	H	α-helix	trans	-62.7	-45.8	175.6	-73.4	174.1	-29.6	0	0	111.8	V164 L165 I166 Q170 S171 V172	V164-Q168 WeakPolarHBondContact O-CG 3.37Å; V164-Q168 PolarHBondContact O-N 3.43Å; L165-Q168 PolarHBondContact O-N 3.47Å; I166-Q168 VanDerWaalsContact C-N 3.34Å; I166-Q168 PolarHBondContact O-N 3.43Å; Q168-Q170 VanDerWaalsContact C-N 3.33Å; Q168-Q170 PolarHBondContact O-N 3.28Å; Q168-S171 WeakPolarHBondContact O-CB 3.47Å; Q168-S171 PolarHBondContact O-N 2.97Å; Q168-V172 WeakPolarHBondContact O-CG2 3.33Å; Q168-V172 PolarHBondContact O-N 3.35Å; Q168-V172 VanDerWaalsContact O-N 3.08Å
169	L	82.7	Confident	75.4	Confident	41 Å²	41	79.5 Å²	79.5	22%	0.215	46%	0.459	C	S	.	.	H	α-helix	trans	-62.9	-38.9	177	-69.9	-180	0	0	0	112.2	L165 I166 S171 V172 V173 L205 L213	L165-L169 WeakPolarHBondContact O-CB 3.29Å; L165-L169 VanDerWaalsContact O-CG 3.28Å; L165-L169 WeakPolarHBondContact O-CG 3.37Å; L165-L169 PolarHBondContact O-N 3.12Å; I166-L169 PolarHBondContact O-N 3.22Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-V172 PolarHBondContact O-N 3.11Å; L169-V173 VanDerWaalsContact O-CG2 3.24Å; L169-V173 WeakPolarHBondContact O-CG2 3.29Å; L169-V173 PolarHBondContact O-N 2.87Å; L169-L205 HydrophobicContact CB-CD2 4.31Å; L169-L205 HydrophobicContact CD1-CD2 4.28Å; L169-L213 HydrophobicContact CD1-CD2 4.23Å; L169-L213 HydrophobicContact CD2-CD2 3.66Å; L169-L213 HydrophobicContact CG-CD2 4.41Å
170	Q	82	Confident	73.3	Confident	46 Å²	46	82.8 Å²	82.8	22%	0.215	48%	0.475	C	S	.	.	H	α-helix	trans	-63.2	-39.4	174.5	-74.6	173.8	-11.6	0	0	111.9	I166 S167 Q168 V173 T174 T202 L205	I166-Q170 HydrophobicContact CG2-CG 4.5Å; I166-Q170 WeakPolarHBondContact O-CG 3.48Å; I166-Q170 PolarHBondContact O-N 3.16Å; S167-Q170 PolarHBondContact O-N 3.39Å; Q168-Q170 VanDerWaalsContact C-N 3.33Å; Q168-Q170 PolarHBondContact O-N 3.28Å; Q170-V173 PolarHBondContact O-N 2.79Å; Q170-T174 PolarHBondContact O-N 2.97Å; Q170-T174 PolarHBondContact O-OG1 3.08Å; Q170-T202 PolarHBondContact NE2-O 2.81Å; Q170-L205 HydrophobicContact CG-CD1 3.82Å
171	S	78.5	Confident	71.2	Confident	57 Å²	57	90.7 Å²	90.7	40%	0.399	51%	0.505	S	S	.	.	H	α-helix	trans	-62	-47.9	176.5	-174	0	0	0	0	111.4	S167 Q168 L169 V173 T174 S175	S167-S171 PolarHBondContact O-N 3.4Å; Q168-S171 WeakPolarHBondContact O-CB 3.47Å; Q168-S171 PolarHBondContact O-N 2.97Å; L169-S171 VanDerWaalsContact C-N 3.33Å; S171-V173 VanDerWaalsContact C-N 3.3Å; S171-V173 PolarHBondContact O-N 3.04Å; S171-T174 PolarHBondContact O-N 3.48Å; S171-S175 PolarHBondContact O-N 3.22Å; S171-S175 PolarHBondContact O-OG 3.36Å; S171-S175 VanDerWaalsContact O-OG 3.13Å
172	V	77.9	Confident	69	Low	80 Å²	80	86.7 Å²	86.7	49%	0.485	50%	0.497	S	S	.	.	H	α-helix	trans	-58	-44.2	179.5	174	0	0	0	0	111	Q168 L169 S175 S176	Q168-V172 WeakPolarHBondContact O-CG2 3.33Å; Q168-V172 PolarHBondContact O-N 3.35Å; Q168-V172 VanDerWaalsContact O-N 3.08Å; L169-V172 PolarHBondContact O-N 3.11Å; V172-S175 PolarHBondContact O-N 2.91Å; V172-S176 PolarHBondContact O-N 2.78Å; V172-S176 VanDerWaalsContact O-N 3.14Å; V172-S176 PolarHBondContact O-OG 2.77Å
173	V	75.5	Confident	67.3	Low	48 Å²	48	90.5 Å²	90.5	29%	0.291	51%	0.513	S	S	.	.	H	α-helix	trans	-66.4	-40.5	-179.8	173.2	0	0	0	0	111.9	L169 Q170 S171 S176 S177 T209	L169-V173 VanDerWaalsContact O-CG2 3.24Å; L169-V173 WeakPolarHBondContact O-CG2 3.29Å; L169-V173 PolarHBondContact O-N 2.87Å; Q170-V173 PolarHBondContact O-N 2.79Å; S171-V173 VanDerWaalsContact C-N 3.3Å; S171-V173 PolarHBondContact O-N 3.04Å; V173-S176 PolarHBondContact O-N 2.85Å; V173-S177 PolarHBondContact O-N 2.8Å; V173-T209 HydrophobicContact CB-CG2 4.04Å; V173-T209 HydrophobicContact CG1-CG2 3.7Å; V173-T209 HydrophobicContact CG2-CG2 3.45Å; V173-T209 VanDerWaalsContact CG2-CG2 3.45Å
174	T	73.8	Confident	65.4	Low	87 Å²	87	94.6 Å²	94.6	53%	0.534	53%	0.53	S	S	.	.	H	α-helix	trans	-67.2	-40	179.1	-53.3	0	0	0	0	110.8	Q170 S171 S176 S177 S178	Q170-T174 PolarHBondContact O-N 2.97Å; Q170-T174 PolarHBondContact O-OG1 3.08Å; S171-T174 PolarHBondContact O-N 3.48Å; T174-S176 VanDerWaalsContact C-N 3.34Å; T174-S176 PolarHBondContact O-N 3.04Å; T174-S177 PolarHBondContact O-N 2.86Å; T174-S177 VanDerWaalsContact O-N 3.12Å; T174-S177 PolarHBondContact O-OG 3.23Å; T174-S178 PolarHBondContact O-N 3.08Å; T174-S178 PolarHBondContact O-OG 2.9Å
175	S	66.8	Low	63.6	Low	68 Å²	68	95 Å²	95	48%	0.476	54%	0.536	S	S	.	.	H	α-helix	trans	-62.2	-37.2	175.7	-65.1	0	0	0	0	112.8	S171 V172 S177 S178	S171-S175 PolarHBondContact O-N 3.22Å; S171-S175 PolarHBondContact O-OG 3.36Å; S171-S175 VanDerWaalsContact O-OG 3.13Å; V172-S175 PolarHBondContact O-N 2.91Å; S175-S177 PolarHBondContact O-N 3.35Å; S175-S178 PolarHBondContact O-OG 2.87Å
176	S	60.6	Low	62	Low	102 Å²	102	99 Å²	99	71%	0.713	55%	0.546	S	S	*	.	H	α-helix	trans	-68.9	-16.5	175.7	-58.3	0	0	0	0	114.3	V172 V173 T174	V172-S176 PolarHBondContact O-N 2.78Å; V172-S176 VanDerWaalsContact O-N 3.14Å; V172-S176 PolarHBondContact O-OG 2.77Å; V173-S176 PolarHBondContact O-N 2.85Å; T174-S176 VanDerWaalsContact C-N 3.34Å; T174-S176 PolarHBondContact O-N 3.04Å
177	S	52.7	Low	60.6	Low	94 Å²	94	102.6 Å²	102.6	66%	0.657	57%	0.568	S	S	*	*	H	α-helix	trans	-96.5	-11.4	-178.3	68	0	0	0	0	114.7	V173 T174 S175	V173-S177 PolarHBondContact O-N 2.8Å; T174-S177 PolarHBondContact O-N 2.86Å; T174-S177 VanDerWaalsContact O-N 3.12Å; T174-S177 PolarHBondContact O-OG 3.23Å; S175-S177 PolarHBondContact O-N 3.35Å
178	S	45.3	Very low	59.3	Low	72 Å²	72	102.9 Å²	102.9	50%	0.503	57%	0.569	S	S	.	*	S	Bend	trans	-97.8	110.2	-178.8	31.6	0	0	0	0	110.1	T174 S175 E180	T174-S178 PolarHBondContact O-N 3.08Å; T174-S178 PolarHBondContact O-OG 2.9Å; S175-S178 PolarHBondContact O-OG 2.87Å; S178-E180 PolarHBondContact O-N 2.92Å
179	D	39	Very low	58.1	Low	141 Å²	141	104 Å²	104	75%	0.754	57%	0.574	S	S	*	*			trans	-49.2	134.5	167.5	-73.8	-40.4	0	0	0	110.1	K181	D179-K181 PolarHBondContact O-N 3.48Å
180	E	45.6	Very low	57.1	Low	197 Å²	197	109 Å²	109	92%	0.921	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	40.8	-168.2	-60.7	-176.2	135.1	0	0	117.2	S178	S178-E180 PolarHBondContact O-N 2.92Å
181	K	41.3	Very low	56	Low	197 Å²	197	108.9 Å²	108.9	86%	0.857	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.3	8.6	-174.4	-67.8	-169.5	-179.7	176.9	0	117.4	D179	D179-K181 PolarHBondContact O-N 3.48Å
182	T	41.1	Very low	55.1	Low	105 Å²	105	108.5 Å²	108.5	64%	0.644	59%	0.594	S	S	*	*			trans	-139	73	169.1	41.7	0	0	0	0	112.6	D184 S185	T182-D184 PolarHBondContact O-N 3.34Å; T182-D184 VanDerWaalsContact O-N 3.16Å; T182-S185 PolarHBondContact O-N 3.01Å
183	E	48.7	Very low	54	Low	156 Å²	156	109.5 Å²	109.5	73%	0.729	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-58.5	-21.3	171.1	-73	-170.7	144.2	0	0	112.7	K55 S185	K55-E183 IonicContact NZ-OE1 2.85Å; K55-E183 PolarHBondContact NZ-OE1 3.14Å; K55-E183 IonicContact NZ-OE2 3.01Å; E183-S185 PolarHBondContact O-N 3.15Å
184	D	44.9	Very low	53.6	Low	169 Å²	169	108.6 Å²	108.6	90%	0.904	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-80.9	-10	-177.1	-153.9	20.6	0	0	0	114.2	T182	T182-D184 PolarHBondContact O-N 3.34Å; T182-D184 VanDerWaalsContact O-N 3.16Å
185	S	46.6	Very low	53.1	Low	96 Å²	96	112.2 Å²	112.2	67%	0.671	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-100.7	18.4	178.2	-151.5	0	0	0	0	112.9	T182 E183 V187	T182-S185 PolarHBondContact O-N 3.01Å; E183-S185 PolarHBondContact O-N 3.15Å; S185-V187 PolarHBondContact O-N 3.44Å
186	R	51	Low	52.9	Low	160 Å²	160	115.2 Å²	115.2	60%	0.604	61%	0.608	S	S	*	*			trans	-73.2	109.3	171.7	-170.8	173.8	-175.2	175.7	0.6	108.4	P188	R186-P188 VanDerWaalsContact O-CD 3.22Å; R186-P188 WeakPolarHBondContact O-CD 3.24Å; R186-P188 VanDerWaalsContact O-N 3.11Å
187	V	54.1	Low	52.9	Low	87 Å²	87	113 Å²	113	53%	0.527	59%	0.59	S	S	.	*			trans	-53.6	117.9	166.4	180	0	0	0	0	107.3	S185 E189 T191	S185-V187 PolarHBondContact O-N 3.44Å; V187-E189 PolarHBondContact O-N 3.4Å; V187-T191 WeakPolarHBondContact CG1-OG1 3.45Å
188	P	55.4	Low	53.1	Low	64 Å²	64	114 Å²	114	42%	0.416	58%	0.584	S	S	.	*			trans	-55.6	138.4	179.9	-27.7	35.8	0	0	0	110.8	R186 F190 T191 S192	R186-P188 VanDerWaalsContact O-CD 3.22Å; R186-P188 WeakPolarHBondContact O-CD 3.24Å; R186-P188 VanDerWaalsContact O-N 3.11Å; P188-F190 HydrophobicContact CB-CD1 3.39Å; P188-F190 HydrophobicContact CB-CE1 3.42Å; P188-F190 VanDerWaalsContact CB-CE1 3.42Å; P188-F190 HydrophobicContact CB-CG 4.43Å; P188-F190 HydrophobicContact CB-CZ 4.48Å; P188-F190 HydrophobicContact CG-CD1 4.39Å; P188-F190 HydrophobicContact CG-CE1 3.93Å; P188-F190 PolarHBondContact O-N 2.84Å; P188-T191 HydrophobicContact CB-CG2 4.46Å; P188-T191 PolarHBondContact O-N 3.36Å; P188-T191 PolarHBondContact O-OG1 3.17Å; P188-S192 PolarHBondContact O-N 3.47Å; P188-S192 PolarHBondContact O-OG 3.32Å
189	E	57	Low	53.7	Low	116 Å²	116	118.7 Å²	118.7	54%	0.542	60%	0.6	S	S	.	*	H	α-helix	trans	-53.6	-29.3	-178.4	-169.5	176.3	177	0	0	112.2	R57 V187 S192	R57-E189 IonicContact NH2-OE2 3.1Å; R57-E189 PolarHBondContact NH2-OE2 2.78Å; V187-E189 PolarHBondContact O-N 3.4Å; E189-S192 WeakPolarHBondContact O-CB 3.41Å; E189-S192 PolarHBondContact O-N 3.36Å
190	F	60.8	Low	54.4	Low	147 Å²	147	119.2 Å²	119.2	65%	0.645	60%	0.602	S	S	*	*	H	α-helix	trans	-71.3	-24.4	175.9	89.9	-95.3	0	0	0	114.2	P188 N193	P188-F190 HydrophobicContact CB-CD1 3.39Å; P188-F190 HydrophobicContact CB-CE1 3.42Å; P188-F190 VanDerWaalsContact CB-CE1 3.42Å; P188-F190 HydrophobicContact CB-CG 4.43Å; P188-F190 HydrophobicContact CB-CZ 4.48Å; P188-F190 HydrophobicContact CG-CD1 4.39Å; P188-F190 HydrophobicContact CG-CE1 3.93Å; P188-F190 PolarHBondContact O-N 2.84Å; F190-N193 PolarHBondContact O-OD1 2.96Å
191	T	60.4	Low	55.2	Low	43 Å²	43	111.5 Å²	111.5	26%	0.264	57%	0.57	S	S	.	*	H	α-helix	trans	-88.6	-20.7	174.4	61.6	0	0	0	0	111.5	V187 P188 N193 S194	V187-T191 WeakPolarHBondContact CG1-OG1 3.45Å; P188-T191 HydrophobicContact CB-CG2 4.46Å; P188-T191 PolarHBondContact O-N 3.36Å; P188-T191 PolarHBondContact O-OG1 3.17Å; T191-N193 PolarHBondContact O-N 3.4Å; T191-S194 VanDerWaalsContact O-CB 3.22Å; T191-S194 WeakPolarHBondContact O-CB 3.22Å; T191-S194 PolarHBondContact O-N 3.47Å; T191-S194 PolarHBondContact O-OG 2.89Å
192	S	58.3	Low	56.2	Low	49 Å²	49	106.7 Å²	106.7	34%	0.343	56%	0.557	S	S	.	*	H	α-helix	trans	-62.5	-25.5	173.9	-46.3	0	0	0	0	113	P188 E189 V197	P188-S192 PolarHBondContact O-N 3.47Å; P188-S192 PolarHBondContact O-OG 3.32Å; E189-S192 WeakPolarHBondContact O-CB 3.41Å; E189-S192 PolarHBondContact O-N 3.36Å; S192-V197 WeakPolarHBondContact O-CG1 3.39Å
193	N	55.5	Low	57.6	Low	101 Å²	101	107.7 Å²	107.7	54%	0.54	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.5	0.9	176	74.3	21.3	0	0	0	114	F190 T191 Q198	F190-N193 PolarHBondContact O-OD1 2.96Å; T191-N193 PolarHBondContact O-N 3.4Å; N193-Q198 PolarHBondContact O-NE2 3.4Å
194	S	66.1	Low	58.8	Low	30 Å²	30	107 Å²	107	21%	0.21	56%	0.555	C	S	.	*	S	Bend	trans	-58.2	148.4	179.2	62.6	0	0	0	0	110.7	T191 E196 V197 Q198	T191-S194 VanDerWaalsContact O-CB 3.22Å; T191-S194 WeakPolarHBondContact O-CB 3.22Å; T191-S194 PolarHBondContact O-N 3.47Å; T191-S194 PolarHBondContact O-OG 2.89Å; S194-E196 WeakPolarHBondContact CB-OE2 3.45Å; S194-E196 PolarHBondContact O-N 3.44Å; S194-V197 PolarHBondContact O-N 3.05Å; S194-V197 WeakPolarHBondContact OG-CB 3.2Å; S194-V197 WeakPolarHBondContact OG-CG2 3.35Å; S194-V197 PolarHBondContact OG-N 2.92Å; S194-Q198 WeakPolarHBondContact O-CG 3.31Å; S194-Q198 PolarHBondContact O-N 3.18Å
195	K	63.8	Low	60.5	Low	163 Å²	163	99.7 Å²	99.7	71%	0.709	52%	0.516	S	S	*	.	H	α-helix	trans	-57.9	-35.5	-179.1	-71.2	-178.6	179.6	177.8	0	110.8	Q198 M199	K195-Q198 PolarHBondContact O-N 2.9Å; K195-M199 WeakPolarHBondContact O-CB 3.21Å; K195-M199 WeakPolarHBondContact O-CG 3.22Å; K195-M199 PolarHBondContact O-N 2.76Å
196	E	63.5	Low	62.4	Low	130 Å²	130	97.9 Å²	97.9	61%	0.607	50%	0.503	S	S	*	.	H	α-helix	trans	-66	-44.7	-179.5	-61.5	70.6	-155	0	0	111.3	S194 M199 L200	S194-E196 WeakPolarHBondContact CB-OE2 3.45Å; S194-E196 PolarHBondContact O-N 3.44Å; E196-M199 PolarHBondContact O-N 3.24Å; E196-L200 WeakPolarHBondContact O-CD1 3.35Å; E196-L200 WeakPolarHBondContact O-CG 3.38Å; E196-L200 PolarHBondContact O-N 3.4Å
197	V	60.8	Low	64.2	Low	57 Å²	57	95.2 Å²	95.2	35%	0.345	50%	0.498	S	S	.	.	H	α-helix	trans	-69.3	-40.7	174	175.3	0	0	0	0	110.9	S192 S194 M199 L200 S201	S192-V197 WeakPolarHBondContact O-CG1 3.39Å; S194-V197 PolarHBondContact O-N 3.05Å; S194-V197 WeakPolarHBondContact OG-CB 3.2Å; S194-V197 WeakPolarHBondContact OG-CG2 3.35Å; S194-V197 PolarHBondContact OG-N 2.92Å; V197-M199 VanDerWaalsContact C-N 3.29Å; V197-M199 PolarHBondContact O-N 2.97Å; V197-L200 CarbonylContact O-C 3.45Å; V197-L200 PolarHBondContact O-N 3.18Å; V197-S201 WeakPolarHBondContact O-CB 3.48Å; V197-S201 PolarHBondContact O-N 3.26Å; V197-S201 PolarHBondContact O-OG 2.85Å
198	Q	56.6	Low	65.8	Low	114 Å²	114	95.5 Å²	95.5	53%	0.533	49%	0.493	S	S	.	.	H	α-helix	trans	-61.5	-34.2	175.6	-73.9	-176.4	18.6	0	0	113.1	N193 S194 K195 L200 S201	N193-Q198 PolarHBondContact O-NE2 3.4Å; S194-Q198 WeakPolarHBondContact O-CG 3.31Å; S194-Q198 PolarHBondContact O-N 3.18Å; K195-Q198 PolarHBondContact O-N 2.9Å; Q198-L200 VanDerWaalsContact C-N 3.3Å; Q198-S201 WeakPolarHBondContact CA-OG 3.24Å; Q198-S201 PolarHBondContact O-OG 3.15Å
199	M	57	Low	67.3	Low	171 Å²	171	93.9 Å²	93.9	84%	0.842	48%	0.482	S	S	*	.	H	α-helix	trans	-69.8	-27.6	174.9	-70.7	-134.5	73.2	0	0	112.8	K195 E196 V197	K195-M199 WeakPolarHBondContact O-CB 3.21Å; K195-M199 WeakPolarHBondContact O-CG 3.22Å; K195-M199 PolarHBondContact O-N 2.76Å; E196-M199 PolarHBondContact O-N 3.24Å; V197-M199 VanDerWaalsContact C-N 3.29Å; V197-M199 PolarHBondContact O-N 2.97Å
200	L	54.1	Low	68.9	Low	152 Å²	152	88.4 Å²	88.4	80%	0.796	46%	0.457	S	S	*	.	H	α-helix	trans	-92	-30	-179.7	-72.8	161.3	0	0	0	112.8	E196 V197 Q198 T202	E196-L200 WeakPolarHBondContact O-CD1 3.35Å; E196-L200 WeakPolarHBondContact O-CG 3.38Å; E196-L200 PolarHBondContact O-N 3.4Å; V197-L200 CarbonylContact O-C 3.45Å; V197-L200 PolarHBondContact O-N 3.18Å; Q198-L200 VanDerWaalsContact C-N 3.3Å; L200-T202 PolarHBondContact O-N 2.73Å
201	S	62.1	Low	70.4	Confident	34 Å²	34	82.6 Å²	82.6	24%	0.238	43%	0.432	C	S	.	.	S	Bend	trans	-72.3	123.6	177.8	58.7	0	0	0	0	110.2	V197 Q198 N203	V197-S201 WeakPolarHBondContact O-CB 3.48Å; V197-S201 PolarHBondContact O-N 3.26Å; V197-S201 PolarHBondContact O-OG 2.85Å; Q198-S201 WeakPolarHBondContact CA-OG 3.24Å; Q198-S201 PolarHBondContact O-OG 3.15Å; S201-N203 PolarHBondContact O-N 3.48Å
202	T	62.9	Low	71.7	Confident	97 Å²	97	83 Å²	83	60%	0.595	43%	0.433	S	S	*	.			trans	-64.1	131.5	170.9	54.3	0	0	0	0	109.3	Q170 L200 Q204	Q170-T202 PolarHBondContact NE2-O 2.81Å; L200-T202 PolarHBondContact O-N 2.73Å; T202-Q204 PolarHBondContact O-N 2.72Å; T202-Q204 PolarHBondContact OG1-O 3.11Å
203	N	70.2	Confident	73.3	Confident	126 Å²	126	82 Å²	82	67%	0.674	42%	0.423	S	S	*	.	S	Bend	trans	-65	7	172.8	-74.8	-23.7	0	0	0	113.6	I166 S201	I166-N203 WeakPolarHBondContact CD1-O 3.49Å; S201-N203 PolarHBondContact O-N 3.48Å
204	Q	73.7	Confident	75.1	Confident	140 Å²	140	77.1 Å²	77.1	65%	0.654	40%	0.398	S	S	*	.	S	Bend	trans	-134.2	132.9	-178.8	-66.8	-170.1	-40.8	0	0	109.1	T202	T202-Q204 PolarHBondContact O-N 2.72Å; T202-Q204 PolarHBondContact OG1-O 3.11Å
205	L	81.6	Confident	76.4	Confident	16 Å²	16	76.1 Å²	76.1	8%	0.084	39%	0.389	C	S	.	.			trans	-73.8	135.3	171	-165.9	62.2	0	0	0	108.5	L169 Q170 T209 C210	L169-L205 HydrophobicContact CB-CD2 4.31Å; L169-L205 HydrophobicContact CD1-CD2 4.28Å; Q170-L205 HydrophobicContact CG-CD1 3.82Å; L205-T209 HydrophobicContact CD1-CG2 3.44Å; L205-T209 VanDerWaalsContact CD1-CG2 3.44Å; L205-T209 HydrophobicContact CD2-CG2 4.09Å; L205-T209 HydrophobicContact CG-CG2 3.77Å; L205-C210 VanDerWaalsContact CB-SG 3.59Å; L205-C210 VanDerWaalsContact CD2-SG 3.54Å; L205-C210 VanDerWaalsContact CG-SG 3.59Å
206	S	85.5	Confident	77.7	Confident	58 Å²	58	71.2 Å²	71.2	41%	0.406	37%	0.369	S	S	.	.			trans	-60.4	150.2	-179.2	89.4	0	0	0	0	110.7	Q208 T209 C210	S206-Q208 PolarHBondContact O-N 2.75Å; S206-T209 PolarHBondContact O-N 3.3Å; S206-T209 VanDerWaalsContact O-N 3.15Å; S206-T209 WeakPolarHBondContact OG-CB 3.43Å; S206-T209 PolarHBondContact OG-N 3.22Å; S206-T209 PolarHBondContact OG-OG1 3.22Å; S206-C210 PolarHBondContact O-N 3.14Å; S206-C210 PolarHBondContact O-SG 3.49Å
207	H	88.9	Confident	79.1	Confident	104 Å²	104	69 Å²	69	48%	0.481	36%	0.361	S	S	.	.	H	α-helix	trans	-53.4	-44.5	176.1	-178.6	-70.2	0	0	0	111.2	Y154 C210 L211	Y154-H207 AromaticContact CE2-CD2 3.98Å; Y154-H207 AromaticContact CE2-NE2 3.93Å; Y154-H207 AromaticContact CZ-CD2 3.67Å; Y154-H207 AromaticContact CZ-NE2 3.57Å; Y154-H207 PolarHBondContact OH-CD2 2.64Å; Y154-H207 PolarHBondContact OH-NE2 2.82Å; Y154-H207 VanDerWaalsContact OH-NE2 3.14Å; H207-C210 PolarHBondContact O-N 2.88Å; H207-L211 VanDerWaalsContact O-CB 3.3Å; H207-L211 WeakPolarHBondContact O-CB 3.4Å; H207-L211 PolarHBondContact O-N 3.37Å
208	Q	87.7	Confident	80.7	Confident	94 Å²	94	66.5 Å²	66.5	44%	0.439	35%	0.345	S	S	.	.	H	α-helix	trans	-64.2	-42.8	-179.7	-169.5	61.1	44.8	0	0	111.7	S206 L211 N212	S206-Q208 PolarHBondContact O-N 2.75Å; Q208-L211 PolarHBondContact O-N 3.38Å; Q208-N212 PolarHBondContact NE2-OD1 2.96Å; Q208-N212 WeakPolarHBondContact O-CB 3.23Å; Q208-N212 PolarHBondContact O-N 2.9Å; Q208-N212 PolarHBondContact O-OD1 3.08Å
209	T	86.5	Confident	82.5	Confident	30 Å²	30	61 Å²	61	18%	0.184	32%	0.32	C	S	.	.	H	α-helix	trans	-64.4	-44.8	178.9	-55.1	0	0	0	0	111.7	V173 L205 S206 L211 N212 L213	V173-T209 HydrophobicContact CB-CG2 4.04Å; V173-T209 HydrophobicContact CG1-CG2 3.7Å; V173-T209 HydrophobicContact CG2-CG2 3.45Å; V173-T209 VanDerWaalsContact CG2-CG2 3.45Å; L205-T209 HydrophobicContact CD1-CG2 3.44Å; L205-T209 VanDerWaalsContact CD1-CG2 3.44Å; L205-T209 HydrophobicContact CD2-CG2 4.09Å; L205-T209 HydrophobicContact CG-CG2 3.77Å; S206-T209 PolarHBondContact O-N 3.3Å; S206-T209 VanDerWaalsContact O-N 3.15Å; S206-T209 WeakPolarHBondContact OG-CB 3.43Å; S206-T209 PolarHBondContact OG-N 3.22Å; S206-T209 PolarHBondContact OG-OG1 3.22Å; T209-L211 VanDerWaalsContact C-N 3.27Å; T209-L211 PolarHBondContact O-N 3.02Å; T209-N212 PolarHBondContact O-N 3.3Å; T209-L213 WeakPolarHBondContact O-CB 3.26Å; T209-L213 PolarHBondContact O-N 2.84Å
210	C	90.4	Very high	84.2	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.3	-42.1	176.1	-63.8	0	0	0	0	111.5	Y154 L205 S206 H207 A214	Y154-C210 HydrophobicContact CD2-CB 3.63Å; Y154-C210 HydrophobicContact CE2-CB 3.74Å; L205-C210 VanDerWaalsContact CB-SG 3.59Å; L205-C210 VanDerWaalsContact CD2-SG 3.54Å; L205-C210 VanDerWaalsContact CG-SG 3.59Å; S206-C210 PolarHBondContact O-N 3.14Å; S206-C210 PolarHBondContact O-SG 3.49Å; H207-C210 PolarHBondContact O-N 2.88Å; C210-A214 VanDerWaalsContact O-CB 3.26Å; C210-A214 WeakPolarHBondContact O-CB 3.38Å; C210-A214 PolarHBondContact O-N 3.27Å
211	L	91.9	Very high	86.1	Confident	26 Å²	26	49.8 Å²	49.8	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-72.5	-39.4	-176.2	-171.3	144.5	0	0	0	111.5	Y154 H207 Q208 T209 A214 Y215 I234 L236	Y154-L211 HydrophobicContact CD2-CB 3.92Å; Y154-L211 HydrophobicContact CE2-CB 4.34Å; H207-L211 VanDerWaalsContact O-CB 3.3Å; H207-L211 WeakPolarHBondContact O-CB 3.4Å; H207-L211 PolarHBondContact O-N 3.37Å; Q208-L211 PolarHBondContact O-N 3.38Å; T209-L211 VanDerWaalsContact C-N 3.27Å; T209-L211 PolarHBondContact O-N 3.02Å; L211-A214 PolarHBondContact O-N 3.43Å; L211-Y215 WeakPolarHBondContact O-CB 3.4Å; L211-Y215 PolarHBondContact O-N 3.38Å; L211-I234 HydrophobicContact CD1-CG2 4.14Å; L211-I234 HydrophobicContact CD2-CG2 3.74Å; L211-I234 HydrophobicContact CG-CG2 4.21Å; L211-L236 HydrophobicContact CD2-CD1 4.05Å; L211-L236 HydrophobicContact CD2-CD2 3.18Å; L211-L236 HydrophobicContact CD2-CG 3.66Å
212	N	89.6	Confident	87.7	Confident	52 Å²	52	48.3 Å²	48.3	28%	0.278	25%	0.251	S	S	.	.	H	α-helix	trans	-62.2	-46.6	173	-70.5	-1.6	0	0	0	111.6	Q208 T209 A214 Y215 Q216 L236 I239	Q208-N212 PolarHBondContact NE2-OD1 2.96Å; Q208-N212 WeakPolarHBondContact O-CB 3.23Å; Q208-N212 PolarHBondContact O-N 2.9Å; Q208-N212 PolarHBondContact O-OD1 3.08Å; T209-N212 PolarHBondContact O-N 3.3Å; N212-A214 VanDerWaalsContact C-N 3.34Å; N212-A214 PolarHBondContact O-N 2.89Å; N212-Y215 PolarHBondContact O-N 3.3Å; N212-Q216 WeakPolarHBondContact O-CB 3.45Å; N212-Q216 PolarHBondContact O-N 2.98Å; N212-L236 WeakPolarHBondContact OD1-CD2 3.46Å; N212-I239 VanDerWaalsContact OD1-CD1 3.25Å; N212-I239 WeakPolarHBondContact OD1-CD1 3.35Å
213	L	90.3	Very high	89.1	Confident	26 Å²	26	44.6 Å²	44.6	14%	0.136	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-46.6	176.5	177.4	68.3	0	0	0	111.2	L169 T209 Y215 Q216 L217	L169-L213 HydrophobicContact CD1-CD2 4.23Å; L169-L213 HydrophobicContact CD2-CD2 3.66Å; L169-L213 HydrophobicContact CG-CD2 4.41Å; T209-L213 WeakPolarHBondContact O-CB 3.26Å; T209-L213 PolarHBondContact O-N 2.84Å; L213-Y215 VanDerWaalsContact C-N 3.33Å; L213-Y215 PolarHBondContact O-N 3.05Å; L213-Q216 PolarHBondContact O-N 3Å; L213-L217 HydrophobicContact CD1-CD1 4.37Å; L213-L217 HydrophobicContact CD1-CG 4.48Å; L213-L217 HydrophobicContact CG-CD1 4.2Å; L213-L217 WeakPolarHBondContact O-CG 3.23Å; L213-L217 PolarHBondContact O-N 3.28Å
214	A	93.1	Very high	90.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-39.9	179.2	0	0	0	0	0	112.6	V150 V153 C210 L211 N212 V218	V150-A214 HydrophobicContact CG1-CB 3.9Å; V153-A214 HydrophobicContact CB-CB 3.84Å; V153-A214 HydrophobicContact CG1-CB 3.74Å; C210-A214 VanDerWaalsContact O-CB 3.26Å; C210-A214 WeakPolarHBondContact O-CB 3.38Å; C210-A214 PolarHBondContact O-N 3.27Å; L211-A214 PolarHBondContact O-N 3.43Å; N212-A214 VanDerWaalsContact C-N 3.34Å; N212-A214 PolarHBondContact O-N 2.89Å; A214-V218 PolarHBondContact O-N 3.03Å
215	Y	94.1	Very high	90.9	Very high	8 Å²	8	38.9 Å²	38.9	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-49.9	172.6	168.9	-98.4	0	0	0	110.9	L211 N212 L213 L217 V218 A219 L227 L230 Q231 I234 L236 V241	L211-Y215 WeakPolarHBondContact O-CB 3.4Å; L211-Y215 PolarHBondContact O-N 3.38Å; N212-Y215 PolarHBondContact O-N 3.3Å; L213-Y215 VanDerWaalsContact C-N 3.33Å; L213-Y215 PolarHBondContact O-N 3.05Å; Y215-L217 PolarHBondContact O-N 2.84Å; Y215-V218 PolarHBondContact O-N 3.43Å; Y215-V218 VanDerWaalsContact O-N 3.16Å; Y215-A219 HydrophobicContact CD1-CB 4.46Å; Y215-A219 HydrophobicContact CE1-CB 4.14Å; Y215-A219 WeakPolarHBondContact O-CB 3.5Å; Y215-A219 PolarHBondContact O-N 3.18Å; Y215-L227 PolarHBondContact OH-O 3.46Å; Y215-L230 HydrophobicContact CD2-CD2 4.23Å; Y215-L230 HydrophobicContact CD2-CG 4.31Å; Y215-L230 HydrophobicContact CE2-CB 4.34Å; Y215-L230 HydrophobicContact CE2-CD2 4.21Å; Y215-L230 HydrophobicContact CE2-CG 4.21Å; Y215-Q231 HydrophobicContact CE2-CB 4.19Å; Y215-I234 HydrophobicContact CD2-CD1 4.37Å; Y215-L236 HydrophobicContact CD1-CD1 4.08Å; Y215-L236 HydrophobicContact CD2-CD1 4.07Å; Y215-L236 HydrophobicContact CG-CD1 3.76Å; Y215-V241 HydrophobicContact CE1-CG1 4.49Å; Y215-V241 HydrophobicContact CE1-CG2 4.35Å
216	Q	91.6	Very high	91.5	Very high	61 Å²	61	38.2 Å²	38.2	29%	0.285	21%	0.206	S	C	.	.	H	α-helix	trans	-58.9	-46.6	-177.2	-169.9	60.4	47.6	0	0	112	N212 L213 V218 A219 D220	N212-Q216 WeakPolarHBondContact O-CB 3.45Å; N212-Q216 PolarHBondContact O-N 2.98Å; L213-Q216 PolarHBondContact O-N 3Å; Q216-V218 PolarHBondContact O-N 3.18Å; Q216-A219 WeakPolarHBondContact O-CB 3.39Å; Q216-A219 PolarHBondContact O-N 3.44Å; Q216-A219 VanDerWaalsContact O-N 3.08Å; Q216-D220 PolarHBondContact NE2-OD1 2.96Å; Q216-D220 PolarHBondContact O-N 3.08Å
217	L	92.3	Very high	91.8	Very high	83 Å²	83	35.7 Å²	35.7	44%	0.435	19%	0.188	S	C	.	.	H	α-helix	trans	-60.7	-31.4	179.6	-71.7	172.3	0	0	0	113.5	V153 L213 Y215 Y221	V153-L217 HydrophobicContact CG1-CD1 3.75Å; L213-L217 HydrophobicContact CD1-CD1 4.37Å; L213-L217 HydrophobicContact CD1-CG 4.48Å; L213-L217 HydrophobicContact CG-CD1 4.2Å; L213-L217 WeakPolarHBondContact O-CG 3.23Å; L213-L217 PolarHBondContact O-N 3.28Å; Y215-L217 PolarHBondContact O-N 2.84Å; L217-Y221 WeakPolarHBondContact O-CD2 3.48Å; L217-Y221 VanDerWaalsContact O-CE2 3.3Å; L217-Y221 WeakPolarHBondContact O-CE2 3.43Å
218	V	95.1	Very high	91.9	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.024	19%	0.188	C	C	.	.	H	α-helix	trans	-83.8	-37.1	174.9	176.8	0	0	0	0	110.7	F81 L146 R149 V150 A214 Y215 Q216 D220 Y221 L222 L230	F81-V218 HydrophobicContact CE1-CG1 4.29Å; F81-V218 HydrophobicContact CZ-CG1 4.3Å; L146-V218 HydrophobicContact CD2-CG1 3.95Å; R149-V218 HydrophobicContact CB-CG2 4.25Å; R149-V218 HydrophobicContact CG-CG2 3.91Å; V150-V218 HydrophobicContact CG2-CB 3.84Å; V150-V218 HydrophobicContact CG2-CG1 4.11Å; V150-V218 HydrophobicContact CG2-CG2 3.76Å; A214-V218 PolarHBondContact O-N 3.03Å; Y215-V218 PolarHBondContact O-N 3.43Å; Y215-V218 VanDerWaalsContact O-N 3.16Å; Q216-V218 PolarHBondContact O-N 3.18Å; V218-D220 VanDerWaalsContact C-N 3.26Å; V218-D220 PolarHBondContact O-N 3.08Å; V218-Y221 PolarHBondContact O-N 3.36Å; V218-L222 HydrophobicContact CG1-CD1 4.18Å; V218-L230 HydrophobicContact CG1-CD2 4.28Å
219	A	93	Very high	92.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-31.7	-178.8	0	0	0	0	0	113.1	Y215 Q216 Y221 L222 L227	Y215-A219 HydrophobicContact CD1-CB 4.46Å; Y215-A219 HydrophobicContact CE1-CB 4.14Å; Y215-A219 WeakPolarHBondContact O-CB 3.5Å; Y215-A219 PolarHBondContact O-N 3.18Å; Q216-A219 WeakPolarHBondContact O-CB 3.39Å; Q216-A219 PolarHBondContact O-N 3.44Å; Q216-A219 VanDerWaalsContact O-N 3.08Å; A219-Y221 PolarHBondContact O-N 3.4Å; A219-L222 PolarHBondContact O-N 3.38Å; A219-L227 VanDerWaalsContact CA-CD2 3.43Å; A219-L227 HydrophobicContact CB-CD2 3.34Å
220	D	92.5	Very high	92.5	Very high	53 Å²	53	32.7 Å²	32.7	28%	0.283	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.4	-179.2	-67.8	-23.7	0	0	0	113.5	H28 R30 Q216 V218	H28-D220 PolarHBondContact CE1-O 3.13Å; R30-D220 WeakPolarHBondContact CB-O 3.22Å; R30-D220 VanDerWaalsContact CD-O 3.27Å; R30-D220 WeakPolarHBondContact CD-O 3.34Å; R30-D220 PolarHBondContact NE-O 3.24Å; Q216-D220 PolarHBondContact NE2-OD1 2.96Å; Q216-D220 PolarHBondContact O-N 3.08Å; V218-D220 VanDerWaalsContact C-N 3.26Å; V218-D220 PolarHBondContact O-N 3.08Å
221	Y	95.5	Very high	92.6	Very high	34 Å²	34	34 Å²	34	13%	0.133	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	2.1	179.6	-55.4	-83.5	0	0	0	114.7	H28 P29 E48 I77 F81 L217 V218 A219	H28-Y221 AromaticContact NE2-CD1 3.83Å; P29-Y221 WeakPolarHBondContact CB-O 3.28Å; P29-Y221 HydrophobicContact CG-CD1 4.23Å; E48-Y221 WeakPolarHBondContact OE2-CE1 3.39Å; E48-Y221 PolarHBondContact OE2-OH 3.07Å; I77-Y221 HydrophobicContact CD1-CD1 4Å; I77-Y221 HydrophobicContact CD1-CE1 3.62Å; I77-Y221 HydrophobicContact CG1-CE1 4.33Å; F81-Y221 VanDerWaalsContact CD1-CB 3.44Å; F81-Y221 HydrophobicContact CD1-CG 4.18Å; F81-Y221 HydrophobicContact CD2-CG 4.31Å; F81-Y221 HydrophobicContact CE1-CD2 4.39Å; F81-Y221 HydrophobicContact CE1-CG 4.35Å; F81-Y221 HydrophobicContact CE2-CD2 4.31Å; F81-Y221 HydrophobicContact CE2-CG 4.47Å; F81-Y221 HydrophobicContact CG-CG 4.17Å; F81-Y221 HydrophobicContact CZ-CD2 4.21Å; F81-Y221 HydrophobicContact CZ-CG 4.49Å; L217-Y221 WeakPolarHBondContact O-CD2 3.48Å; L217-Y221 VanDerWaalsContact O-CE2 3.3Å; L217-Y221 WeakPolarHBondContact O-CE2 3.43Å; V218-Y221 PolarHBondContact O-N 3.36Å; A219-Y221 PolarHBondContact O-N 3.4Å
222	L	95.1	Very high	92.5	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.205	C	C	.	.	S	Bend	trans	-115.1	146.4	-171.9	-58	177.4	0	0	0	113.2	R30 F81 I84 L146 V218 A219 L226 L227 L230	R30-L222 WeakPolarHBondContact CD-O 3.33Å; R30-L222 WeakPolarHBondContact CG-O 3.3Å; F81-L222 HydrophobicContact CD1-CD2 4.18Å; F81-L222 HydrophobicContact CE1-CD2 4.16Å; I84-L222 HydrophobicContact CG2-CD2 4.49Å; L146-L222 HydrophobicContact CD1-CD1 3.73Å; L146-L222 HydrophobicContact CD1-CD2 4.05Å; L146-L222 HydrophobicContact CD2-CD1 3.9Å; L146-L222 HydrophobicContact CD2-CD2 3.81Å; L146-L222 HydrophobicContact CD2-CG 4.39Å; L146-L222 HydrophobicContact CG-CD1 4.4Å; V218-L222 HydrophobicContact CG1-CD1 4.18Å; A219-L222 PolarHBondContact O-N 3.38Å; L222-L226 HydrophobicContact CB-CB 4.39Å; L222-L226 HydrophobicContact CD2-CD1 4.31Å; L222-L227 HydrophobicContact CB-CD2 3.68Å; L222-L227 HydrophobicContact CB-CG 4.23Å; L222-L227 HydrophobicContact CD1-CD2 4.09Å; L222-L227 HydrophobicContact CG-CD2 4.45Å; L222-L230 HydrophobicContact CD1-CD2 3.83Å
223	A	92.4	Very high	92.6	Very high	19 Å²	19	42.2 Å²	42.2	16%	0.157	21%	0.213	C	C	.	.			trans	-71.3	153.8	173.3	0	0	0	0	0	111.9	D225 L226 L227	A223-D225 VanDerWaalsContact C-N 3.27Å; A223-D225 WeakPolarHBondContact CB-OD1 3.41Å; A223-D225 PolarHBondContact O-N 3.48Å; A223-D225 VanDerWaalsContact O-N 3.09Å; A223-L226 PolarHBondContact O-N 3.43Å; A223-L227 PolarHBondContact O-N 3.28Å
224	P	90.4	Very high	92.5	Very high	93 Å²	93	43 Å²	43	60%	0.604	22%	0.217	S	C	*	.	H	α-helix	trans	-57.1	-30.7	-168.7	-27.9	35.6	0	0	0	116.3	L227 I228	P224-L227 WeakPolarHBondContact O-CB 3.47Å; P224-L227 PolarHBondContact O-N 3.12Å; P224-I228 WeakPolarHBondContact O-CG1 3.24Å; P224-I228 PolarHBondContact O-N 2.69Å
225	D	91.9	Very high	92	Very high	53 Å²	53	45.6 Å²	45.6	28%	0.283	24%	0.244	S	C	.	.	H	α-helix	trans	-70	-38.3	177.8	63.8	-48.8	0	0	0	113.1	R88 A223 L227 K229	R88-D225 IonicContact CZ-OD1 3.15Å; R88-D225 IonicContact CZ-OD2 3.08Å; R88-D225 IonicContact NE-OD1 2.73Å; R88-D225 PolarHBondContact NE-OD1 3.14Å; R88-D225 IonicContact NE-OD2 2.74Å; R88-D225 PolarHBondContact NE-OD2 2.97Å; R88-D225 IonicContact NH1-OD1 2.76Å; R88-D225 IonicContact NH2-OD1 3.4Å; R88-D225 PolarHBondContact NH2-OD1 3.45Å; R88-D225 IonicContact NH2-OD2 2.62Å; R88-D225 PolarHBondContact NH2-OD2 3.27Å; A223-D225 VanDerWaalsContact C-N 3.27Å; A223-D225 WeakPolarHBondContact CB-OD1 3.41Å; A223-D225 PolarHBondContact O-N 3.48Å; A223-D225 VanDerWaalsContact O-N 3.09Å; D225-L227 VanDerWaalsContact C-N 3.28Å; D225-K229 WeakPolarHBondContact O-CG 3.47Å; D225-K229 PolarHBondContact O-N 3.44Å
226	L	93.4	Very high	90.9	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-70.2	-30.7	173.7	-68.4	-176.9	0	0	0	111	I84 M143 L222 A223 K229 L230	I84-L226 HydrophobicContact CG2-CD1 3.78Å; M143-L226 HydrophobicContact SD-CD2 4.25Å; L222-L226 HydrophobicContact CB-CB 4.39Å; L222-L226 HydrophobicContact CD2-CD1 4.31Å; A223-L226 PolarHBondContact O-N 3.43Å; L226-K229 PolarHBondContact O-N 3.39Å; L226-L230 WeakPolarHBondContact O-CB 3.34Å; L226-L230 PolarHBondContact O-N 3.17Å
227	L	92.3	Very high	89.2	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-52.1	176.1	-64	-177.5	0	0	0	111.6	Y215 A219 L222 A223 P224 D225 K229 L230 Q231 L243	Y215-L227 PolarHBondContact OH-O 3.46Å; A219-L227 VanDerWaalsContact CA-CD2 3.43Å; A219-L227 HydrophobicContact CB-CD2 3.34Å; L222-L227 HydrophobicContact CB-CD2 3.68Å; L222-L227 HydrophobicContact CB-CG 4.23Å; L222-L227 HydrophobicContact CD1-CD2 4.09Å; L222-L227 HydrophobicContact CG-CD2 4.45Å; A223-L227 PolarHBondContact O-N 3.28Å; P224-L227 WeakPolarHBondContact O-CB 3.47Å; P224-L227 PolarHBondContact O-N 3.12Å; D225-L227 VanDerWaalsContact C-N 3.28Å; L227-K229 VanDerWaalsContact C-N 3.31Å; L227-K229 PolarHBondContact O-N 3.44Å; L227-L230 PolarHBondContact O-N 3.4Å; L227-L230 VanDerWaalsContact O-N 3.11Å; L227-Q231 WeakPolarHBondContact O-CB 3.25Å; L227-Q231 PolarHBondContact O-N 3.19Å; L227-L243 HydrophobicContact CD1-CD1 3.52Å; L227-L243 HydrophobicContact CD1-CD2 3.9Å; L227-L243 HydrophobicContact CD1-CG 4.36Å
228	I	91.1	Very high	87	Confident	95 Å²	95	54.7 Å²	54.7	49%	0.487	29%	0.291	S	S	.	.	H	α-helix	trans	-57.2	-47.7	179.3	-64.5	165	0	0	0	110.1	P224 L230 Q231 E232	P224-I228 WeakPolarHBondContact O-CG1 3.24Å; P224-I228 PolarHBondContact O-N 2.69Å; I228-L230 VanDerWaalsContact C-N 3.33Å; I228-L230 PolarHBondContact O-N 3.3Å; I228-Q231 WeakPolarHBondContact O-CB 3.34Å; I228-Q231 PolarHBondContact O-N 2.99Å; I228-E232 WeakPolarHBondContact O-CG 3.33Å; I228-E232 PolarHBondContact O-N 2.93Å
229	K	93	Very high	84.9	Confident	70 Å²	70	57.4 Å²	57.4	30%	0.304	31%	0.305	S	S	.	.	H	α-helix	trans	-63.3	-37.5	178.2	-68.4	176.3	178.7	-179.3	0	112.8	E139 M143 D225 L226 L227 K233	E139-K229 WeakPolarHBondContact OE1-CD 3.42Å; E139-K229 VanDerWaalsContact OE1-CE 3.29Å; E139-K229 WeakPolarHBondContact OE1-CE 3.24Å; E139-K229 IonicContact OE1-NZ 3.98Å; E139-K229 PolarHBondContact OE1-NZ 2.65Å; E139-K229 IonicContact OE2-NZ 2.68Å; E139-K229 PolarHBondContact OE2-NZ 3.34Å; M143-K229 VanDerWaalsContact CE-C 3.48Å; M143-K229 HydrophobicContact CE-CB 3.9Å; M143-K229 HydrophobicContact SD-CB 4.06Å; D225-K229 WeakPolarHBondContact O-CG 3.47Å; D225-K229 PolarHBondContact O-N 3.44Å; L226-K229 PolarHBondContact O-N 3.39Å; L227-K229 VanDerWaalsContact C-N 3.31Å; L227-K229 PolarHBondContact O-N 3.44Å; K229-K233 VanDerWaalsContact O-CB 3.29Å; K229-K233 WeakPolarHBondContact O-CB 3.26Å; K229-K233 PolarHBondContact O-N 2.57Å
230	L	94.1	Very high	82.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-69.2	-41.7	177.9	-174.3	59.1	0	0	0	110.9	M143 L146 V150 Y215 V218 L222 L226 L227 I228 K233 I234	M143-L230 HydrophobicContact CE-CB 3.77Å; M143-L230 HydrophobicContact CE-CD1 3.94Å; M143-L230 HydrophobicContact CE-CG 4.49Å; M143-L230 VanDerWaalsContact CE-N 3.31Å; L146-L230 HydrophobicContact CB-CD1 3.83Å; L146-L230 HydrophobicContact CB-CD2 4.26Å; V150-L230 HydrophobicContact CG2-CD2 4.11Å; Y215-L230 HydrophobicContact CD2-CD2 4.23Å; Y215-L230 HydrophobicContact CD2-CG 4.31Å; Y215-L230 HydrophobicContact CE2-CB 4.34Å; Y215-L230 HydrophobicContact CE2-CD2 4.21Å; Y215-L230 HydrophobicContact CE2-CG 4.21Å; V218-L230 HydrophobicContact CG1-CD2 4.28Å; L222-L230 HydrophobicContact CD1-CD2 3.83Å; L226-L230 WeakPolarHBondContact O-CB 3.34Å; L226-L230 PolarHBondContact O-N 3.17Å; L227-L230 PolarHBondContact O-N 3.4Å; L227-L230 VanDerWaalsContact O-N 3.11Å; I228-L230 VanDerWaalsContact C-N 3.33Å; I228-L230 PolarHBondContact O-N 3.3Å; L230-K233 PolarHBondContact O-N 3.26Å; L230-I234 HydrophobicContact CD1-CD1 3.64Å; L230-I234 HydrophobicContact CD1-CG1 4.16Å; L230-I234 HydrophobicContact CG-CD1 3.72Å; L230-I234 WeakPolarHBondContact O-CB 3.35Å; L230-I234 VanDerWaalsContact O-CG1 3.24Å; L230-I234 WeakPolarHBondContact O-CG1 3.43Å; L230-I234 PolarHBondContact O-N 3.01Å
231	Q	91.5	Very high	80.4	Confident	29 Å²	29	64.7 Å²	64.7	14%	0.136	34%	0.34	C	S	.	.	H	α-helix	trans	-60.7	-47.1	175.6	-169.3	178.2	0.3	0	0	111.1	Y215 L227 I228 I234 G235 L236 I239	Y215-Q231 HydrophobicContact CE2-CB 4.19Å; L227-Q231 WeakPolarHBondContact O-CB 3.25Å; L227-Q231 PolarHBondContact O-N 3.19Å; I228-Q231 WeakPolarHBondContact O-CB 3.34Å; I228-Q231 PolarHBondContact O-N 2.99Å; Q231-I234 PolarHBondContact O-N 3.3Å; Q231-G235 PolarHBondContact O-N 3Å; Q231-L236 HydrophobicContact CG-CB 3.64Å; Q231-L236 HydrophobicContact CG-CD1 4.37Å; Q231-L236 PolarHBondContact O-N 3.12Å; Q231-I239 PolarHBondContact NE2-O 3.4Å; Q231-I239 VanDerWaalsContact NE2-O 3.15Å
232	E	90.8	Very high	77.8	Confident	144 Å²	144	69.2 Å²	69.2	67%	0.673	37%	0.367	S	S	*	.	H	α-helix	trans	-59.6	-47.7	174.8	-74.4	175.6	179.2	0	0	111.7	I228 I234 G235	I228-E232 WeakPolarHBondContact O-CG 3.33Å; I228-E232 PolarHBondContact O-N 2.93Å; E232-I234 VanDerWaalsContact C-N 3.33Å; E232-I234 PolarHBondContact O-N 3.45Å; E232-G235 PolarHBondContact O-N 3.15Å
233	K	90.3	Very high	75.5	Confident	105 Å²	105	71 Å²	71	46%	0.457	38%	0.375	S	S	.	.	H	α-helix	trans	-64.3	-35.5	-178.8	-175.8	167.6	179.9	179.3	0	113.1	M143 E144 S147 K229 L230 G235	M143-K233 HydrophobicContact CB-CD 4.04Å; M143-K233 HydrophobicContact CE-CB 4.5Å; M143-K233 HydrophobicContact CE-CD 4.33Å; M143-K233 PolarHBondContact O-NZ 3.12Å; M143-K233 VanDerWaalsContact O-NZ 3.08Å; E144-K233 VanDerWaalsContact CA-NZ 3.31Å; E144-K233 VanDerWaalsContact N-NZ 3.14Å; S147-K233 VanDerWaalsContact OG-CD 3.29Å; S147-K233 WeakPolarHBondContact OG-CD 3.15Å; S147-K233 WeakPolarHBondContact OG-CE 3.34Å; K229-K233 VanDerWaalsContact O-CB 3.29Å; K229-K233 WeakPolarHBondContact O-CB 3.26Å; K229-K233 PolarHBondContact O-N 2.57Å; L230-K233 PolarHBondContact O-N 3.26Å; K233-G235 VanDerWaalsContact C-N 3.35Å
234	I	88.9	Confident	73.3	Confident	43 Å²	43	73.4 Å²	73.4	22%	0.221	39%	0.39	C	S	.	.	H	α-helix	trans	-81.4	-17.9	178.8	-64.9	170.6	0	0	0	111.5	V150 L211 Y215 L230 Q231 E232 L236	V150-I234 HydrophobicContact CB-CD1 3.89Å; V150-I234 HydrophobicContact CG1-CD1 3.76Å; V150-I234 HydrophobicContact CG2-CD1 3.84Å; L211-I234 HydrophobicContact CD1-CG2 4.14Å; L211-I234 HydrophobicContact CD2-CG2 3.74Å; L211-I234 HydrophobicContact CG-CG2 4.21Å; Y215-I234 HydrophobicContact CD2-CD1 4.37Å; L230-I234 HydrophobicContact CD1-CD1 3.64Å; L230-I234 HydrophobicContact CD1-CG1 4.16Å; L230-I234 HydrophobicContact CG-CD1 3.72Å; L230-I234 WeakPolarHBondContact O-CB 3.35Å; L230-I234 VanDerWaalsContact O-CG1 3.24Å; L230-I234 WeakPolarHBondContact O-CG1 3.43Å; L230-I234 PolarHBondContact O-N 3.01Å; Q231-I234 PolarHBondContact O-N 3.3Å; E232-I234 VanDerWaalsContact C-N 3.33Å; E232-I234 PolarHBondContact O-N 3.45Å; I234-L236 HydrophobicContact CG2-CG 4.26Å
235	G	82.4	Confident	70.7	Confident	54 Å²	54	75.2 Å²	75.2	56%	0.557	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	26.7	178.3	0	0	0	0	0	114	Q231 E232 K233 K237	Q231-G235 PolarHBondContact O-N 3Å; E232-G235 PolarHBondContact O-N 3.15Å; K233-G235 VanDerWaalsContact C-N 3.35Å; G235-K237 PolarHBondContact O-N 3.28Å
236	L	72.3	Confident	68.5	Low	11 Å²	11	74.4 Å²	74.4	6%	0.058	39%	0.389	C	S	.	.			trans	-72.1	92.8	172.6	-78	178.8	0	0	0	109.8	L211 N212 Y215 Q231 I234 T238 I239	L211-L236 HydrophobicContact CD2-CD1 4.05Å; L211-L236 HydrophobicContact CD2-CD2 3.18Å; L211-L236 HydrophobicContact CD2-CG 3.66Å; N212-L236 WeakPolarHBondContact OD1-CD2 3.46Å; Y215-L236 HydrophobicContact CD1-CD1 4.08Å; Y215-L236 HydrophobicContact CD2-CD1 4.07Å; Y215-L236 HydrophobicContact CG-CD1 3.76Å; Q231-L236 HydrophobicContact CG-CB 3.64Å; Q231-L236 HydrophobicContact CG-CD1 4.37Å; Q231-L236 PolarHBondContact O-N 3.12Å; I234-L236 HydrophobicContact CG2-CG 4.26Å; L236-T238 PolarHBondContact O-N 2.73Å; L236-T238 VanDerWaalsContact O-N 3.08Å; L236-I239 HydrophobicContact CD2-CD1 4.13Å
237	K	55.2	Low	65.8	Low	195 Å²	195	82.4 Å²	82.4	85%	0.848	43%	0.432	S	S	*	.			trans	-64.9	108.4	174.7	-68.9	179.8	-179.2	176.6	0	109.6	G235	G235-K237 PolarHBondContact O-N 3.28Å
238	T	46	Very low	62.9	Low	137 Å²	137	85.4 Å²	85.4	84%	0.84	45%	0.454	S	S	*	.			trans	52.7	75.8	164.2	-29.6	0	0	0	0	114.8	L236	L236-T238 PolarHBondContact O-N 2.73Å; L236-T238 VanDerWaalsContact O-N 3.08Å
239	I	50.5	Low	60.1	Low	62 Å²	62	86.6 Å²	86.6	32%	0.318	47%	0.47	S	S	.	.			trans	-108.8	117	157.2	-62.1	172	0	0	0	104.8	N212 Q231 L236 V241	N212-I239 VanDerWaalsContact OD1-CD1 3.25Å; N212-I239 WeakPolarHBondContact OD1-CD1 3.35Å; Q231-I239 PolarHBondContact NE2-O 3.4Å; Q231-I239 VanDerWaalsContact NE2-O 3.15Å; L236-I239 HydrophobicContact CD2-CD1 4.13Å; I239-V241 VanDerWaalsContact C-N 3.33Å; I239-V241 PolarHBondContact O-N 3.37Å
240	E	43.2	Very low	57.2	Low	166 Å²	166	86.1 Å²	86.1	78%	0.776	48%	0.48	S	S	*	.			trans	-55.7	106.1	159.2	-79.7	-178.7	165.9	0	0	105.8	N242	E240-N242 PolarHBondContact O-N 3.01Å
241	V	47.5	Very low	54.4	Low	40 Å²	40	88.5 Å²	88.5	24%	0.242	49%	0.492	C	S	.	.			trans	-72	92.4	173.3	-160.6	0	0	0	0	105.2	Y215 I239 L243	Y215-V241 HydrophobicContact CE1-CG1 4.49Å; Y215-V241 HydrophobicContact CE1-CG2 4.35Å; I239-V241 VanDerWaalsContact C-N 3.33Å; I239-V241 PolarHBondContact O-N 3.37Å; V241-L243 HydrophobicContact CB-CD1 3.73Å; V241-L243 HydrophobicContact CG1-CB 4.47Å; V241-L243 HydrophobicContact CG1-CD1 3.18Å; V241-L243 HydrophobicContact CG1-CG 3.61Å; V241-L243 PolarHBondContact O-N 2.97Å
242	N	41.6	Very low	52	Low	129 Å²	129	90.3 Å²	90.3	69%	0.69	51%	0.505	S	S	*	.			trans	-66.3	66.4	157.9	-82.5	-16.1	0	0	0	107	E240	E240-N242 PolarHBondContact O-N 3.01Å
243	L	45.9	Very low	50	Low	38 Å²	38	86.9 Å²	86.9	20%	0.199	50%	0.497	C	S	.	.			trans	-63.4	129.2	154.9	-77.8	118.7	0	0	0	104.5	L227 V241 D245	L227-L243 HydrophobicContact CD1-CD1 3.52Å; L227-L243 HydrophobicContact CD1-CD2 3.9Å; L227-L243 HydrophobicContact CD1-CG 4.36Å; V241-L243 HydrophobicContact CB-CD1 3.73Å; V241-L243 HydrophobicContact CG1-CB 4.47Å; V241-L243 HydrophobicContact CG1-CD1 3.18Å; V241-L243 HydrophobicContact CG1-CG 3.61Å; V241-L243 PolarHBondContact O-N 2.97Å; L243-D245 PolarHBondContact O-N 3.39Å
244	P	46.2	Very low	48.6	Very low	70 Å²	70	86 Å²	86	46%	0.455	50%	0.495	S	S	.	.			trans	-49.6	124.4	164.9	19.2	-30	0	0	0	108	M246	P244-M246 VanDerWaalsContact C-N 3.26Å; P244-M246 HydrophobicContact CB-CE 4.09Å; P244-M246 HydrophobicContact CG-CE 3.59Å; P244-M246 WeakPolarHBondContact O-CG 3.22Å; P244-M246 PolarHBondContact O-N 2.82Å
245	D	36.3	Very low	47.5	Very low	131 Å²	131	84.5 Å²	84.5	70%	0.701	49%	0.487	S	S	*	.			trans	-58.3	92.3	173.4	-94.6	-31.2	0	0	0	107.8	L243 N247 S248	L243-D245 PolarHBondContact O-N 3.39Å; D245-N247 PolarHBondContact O-N 3.31Å; D245-N247 VanDerWaalsContact O-N 3.12Å; D245-S248 WeakPolarHBondContact O-CA 3.39Å; D245-S248 WeakPolarHBondContact O-CB 3.44Å; D245-S248 PolarHBondContact O-N 3.01Å; D245-S248 PolarHBondContact O-OG 3.14Å
246	M	46.1	Very low	46.5	Very low	37 Å²	37	83.5 Å²	83.5	18%	0.182	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-5.4	179.9	-71.8	-79.2	158.7	0	0	112.7	R30 P244 S248 T252	R30-M246 VanDerWaalsContact NH1-CG 3.33Å; P244-M246 VanDerWaalsContact C-N 3.26Å; P244-M246 HydrophobicContact CB-CE 4.09Å; P244-M246 HydrophobicContact CG-CE 3.59Å; P244-M246 WeakPolarHBondContact O-CG 3.22Å; P244-M246 PolarHBondContact O-N 2.82Å; M246-S248 VanDerWaalsContact C-N 3.32Å; M246-S248 CarbonylContact C-O 3.58Å; M246-T252 HydrophobicContact CE-CG2 4.05Å
247	N	36.6	Very low	45.8	Very low	170 Å²	170	84.4 Å²	84.4	91%	0.909	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-18.8	167.2	-73.4	-10.8	0	0	0	112	D245	D245-N247 PolarHBondContact O-N 3.31Å; D245-N247 VanDerWaalsContact O-N 3.12Å
248	S	30.6	Very low	45.7	Very low	68 Å²	68	78.6 Å²	78.6	48%	0.476	46%	0.456	S	S	.	.	S	Bend	trans	-78.4	137.1	161.9	79	0	0	0	0	108.1	D245 M246 A250	D245-S248 WeakPolarHBondContact O-CA 3.39Å; D245-S248 WeakPolarHBondContact O-CB 3.44Å; D245-S248 PolarHBondContact O-N 3.01Å; D245-S248 PolarHBondContact O-OG 3.14Å; M246-S248 VanDerWaalsContact C-N 3.32Å; M246-S248 CarbonylContact C-O 3.58Å; S248-A250 PolarHBondContact O-N 3.42Å
249	S	33.8	Very low	46.1	Very low	119 Å²	119	75.6 Å²	75.6	83%	0.832	44%	0.444	S	S	*	.	S	Bend	trans	-60.7	22.9	-169.5	40.4	0	0	0	0	117.3
250	A	30.5	Very low	46.1	Very low	61 Å²	61	76.8 Å²	76.8	50%	0.504	45%	0.449	S	S	.	.			trans	-116.2	72.2	171.4	0	0	0	0	0	109.1	S248 T252	S248-A250 PolarHBondContact O-N 3.42Å; A250-T252 PolarHBondContact O-N 2.92Å; A250-T252 VanDerWaalsContact O-N 3.1Å
251	I	36.6	Very low	46.2	Very low	49 Å²	49	73.2 Å²	73.2	25%	0.251	43%	0.431	S	S	.	.			trans	-45.4	121.1	145.9	-62.9	152.3	0	0	0	104.6	V33 S253 I256	V33-I251 HydrophobicContact CB-CD1 4.48Å; V33-I251 HydrophobicContact CG1-CD1 3.76Å; V33-I251 HydrophobicContact CG2-CD1 3.95Å; V33-I251 HydrophobicContact CG2-CG1 4.28Å; I251-S253 WeakPolarHBondContact O-CA 3Å; I251-S253 PolarHBondContact O-N 3.19Å; I251-I256 HydrophobicContact CB-CD1 3.9Å; I251-I256 HydrophobicContact CB-CG1 4.39Å; I251-I256 HydrophobicContact CD1-CD1 4.11Å; I251-I256 HydrophobicContact CG2-CD1 3.73Å; I251-I256 HydrophobicContact CG2-CG1 3.67Å
252	T	41.2	Very low	45.7	Very low	67 Å²	67	76.6 Å²	76.6	41%	0.411	46%	0.456	S	S	.	.			trans	-44.8	119.4	168.6	43.5	0	0	0	0	104.9	M246 A250 E254	M246-T252 HydrophobicContact CE-CG2 4.05Å; A250-T252 PolarHBondContact O-N 2.92Å; A250-T252 VanDerWaalsContact O-N 3.1Å; T252-E254 PolarHBondContact O-N 2.74Å
253	S	48.6	Very low	45.1	Very low	73 Å²	73	75.4 Å²	75.4	51%	0.51	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	24.4	-160.9	-67	0	0	0	0	113.4	I251 K261	I251-S253 WeakPolarHBondContact O-CA 3Å; I251-S253 PolarHBondContact O-N 3.19Å; S253-K261 PolarHBondContact O-NZ 3.24Å
254	E	61	Low	44.4	Very low	87 Å²	87	83.3 Å²	83.3	41%	0.407	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-40.8	-157.3	-58.6	-172.4	169.8	0	0	111.4	K51 T252	K51-E254 WeakPolarHBondContact CA-O 3.22Å; K51-E254 WeakPolarHBondContact CB-O 3.44Å; K51-E254 PolarHBondContact N-O 3.5Å; K51-E254 VanDerWaalsContact O-CB 3.25Å; K51-E254 WeakPolarHBondContact O-CB 3.47Å; K51-E254 WeakPolarHBondContact O-CG 3.43Å; T252-E254 PolarHBondContact O-N 2.74Å
255	N	65.9	Low	43.6	Very low	11 Å²	11	89 Å²	89	6%	0.059	50%	0.502	C	S	.	.	S	Bend	trans	-129.3	48.4	-179.2	-165.1	-5.4	0	0	0	113	C35 L36 E48 I49	C35-N255 PolarHBondContact SG-O 3.31Å; L36-N255 PolarHBondContact N-OD1 3.43Å; L36-N255 PolarHBondContact O-ND2 3.05Å; L36-N255 PolarHBondContact O-OD1 3.31Å; E48-N255 WeakPolarHBondContact CG-ND2 3.42Å; E48-N255 PolarHBondContact OE1-ND2 2.83Å; I49-N255 VanDerWaalsContact O-CB 3.3Å; I49-N255 WeakPolarHBondContact O-CB 3.49Å; I49-N255 PolarHBondContact O-ND2 3.16Å; I49-N255 VanDerWaalsContact O-ND2 3.14Å; I49-N255 PolarHBondContact O-OD1 3.05Å
256	I	61.9	Low	43.2	Very low	33 Å²	33	88 Å²	88	17%	0.169	51%	0.506	C	S	.	.	S	Bend	trans	-98.8	136.8	170.4	-55	174.9	0	0	0	108	I251 P258 E260	I251-I256 HydrophobicContact CB-CD1 3.9Å; I251-I256 HydrophobicContact CB-CG1 4.39Å; I251-I256 HydrophobicContact CD1-CD1 4.11Å; I251-I256 HydrophobicContact CG2-CD1 3.73Å; I251-I256 HydrophobicContact CG2-CG1 3.67Å; I256-P258 WeakPolarHBondContact O-CD 3.46Å; I256-P258 VanDerWaalsContact O-N 3.15Å; I256-E260 HydrophobicContact CG2-CB 4.17Å
257	D	56.7	Low	42.6	Very low	29 Å²	29	95.7 Å²	95.7	16%	0.155	54%	0.539	C	S	.	.			trans	-46.8	119.2	168.8	-176.4	-12.6	0	0	0	110.2	K25 L36 A259 E260	K25-D257 IonicContact NZ-OD2 2.89Å; K25-D257 PolarHBondContact NZ-OD2 3.48Å; L36-D257 HydrophobicContact CG-CB 4.34Å; D257-A259 PolarHBondContact O-N 2.57Å; D257-A259 WeakPolarHBondContact OD1-CB 3.22Å; D257-A259 PolarHBondContact OD1-N 3.09Å; D257-E260 HydrophobicContact CB-CG 4.35Å; D257-E260 PolarHBondContact O-N 3.13Å
258	P	53.3	Low	42.3	Very low	74 Å²	74	94.2 Å²	94.2	48%	0.481	53%	0.531	S	S	.	.	H	α-helix	trans	-52.8	-30.2	179.7	-26.4	33.7	0	0	0	113.2	L36 I256 E260 K261	L36-P258 VanDerWaalsContact CD1-CD 3.44Å; L36-P258 HydrophobicContact CD1-CG 4.43Å; I256-P258 WeakPolarHBondContact O-CD 3.46Å; I256-P258 VanDerWaalsContact O-N 3.15Å; P258-E260 VanDerWaalsContact C-N 3.3Å; P258-E260 PolarHBondContact O-N 3.38Å; P258-K261 PolarHBondContact O-N 3.17Å
259	A	54.2	Low	42.6	Very low	73 Å²	73	96.8 Å²	96.8	60%	0.603	55%	0.548	S	S	*	.	H	α-helix	trans	-65.5	-30.7	177.8	0	0	0	0	0	112.8	D257 S262	D257-A259 PolarHBondContact O-N 2.57Å; D257-A259 WeakPolarHBondContact OD1-CB 3.22Å; D257-A259 PolarHBondContact OD1-N 3.09Å; A259-S262 PolarHBondContact O-N 2.89Å
260	E	50.9	Low	42.6	Very low	88 Å²	88	99 Å²	99	41%	0.411	55%	0.545	S	S	.	.	H	α-helix	trans	-77	-23.5	178.9	-71.4	-175.2	-165.1	0	0	112.8	K25 I256 D257 P258 S262	K25-E260 IonicContact NZ-OE1 2.92Å; K25-E260 PolarHBondContact NZ-OE1 3.45Å; I256-E260 HydrophobicContact CG2-CB 4.17Å; D257-E260 HydrophobicContact CB-CG 4.35Å; D257-E260 PolarHBondContact O-N 3.13Å; P258-E260 VanDerWaalsContact C-N 3.3Å; P258-E260 PolarHBondContact O-N 3.38Å; E260-S262 VanDerWaalsContact C-N 3.26Å; E260-S262 PolarHBondContact O-N 2.9Å
261	K	45.8	Very low	43	Very low	91 Å²	91	102.8 Å²	102.8	40%	0.396	56%	0.557	S	S	.	*	H	α-helix	trans	-69.1	-20.9	173.9	-85.4	-178.3	-179.7	170.8	0	113.4	S253 P258 S263 R264	S253-K261 PolarHBondContact O-NZ 3.24Å; P258-K261 PolarHBondContact O-N 3.17Å; K261-S263 PolarHBondContact O-N 3.06Å; K261-R264 PolarHBondContact O-N 2.93Å
262	S	35.2	Very low	43.1	Very low	110 Å²	110	106.7 Å²	106.7	77%	0.769	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-2.4	-171.2	-170	0	0	0	0	115.6	A259 E260	A259-S262 PolarHBondContact O-N 2.89Å; E260-S262 VanDerWaalsContact C-N 3.26Å; E260-S262 PolarHBondContact O-N 2.9Å
263	S	30.7	Very low	42.7	Very low	104 Å²	104	110.5 Å²	110.5	73%	0.727	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	1.2	178.4	63.9	0	0	0	0	115.1	K261	K261-S263 PolarHBondContact O-N 3.06Å
264	R	30.7	Very low	42.3	Very low	204 Å²	204	112.1 Å²	112.1	77%	0.77	61%	0.61	S	S	*	*	S	Bend	trans	-126.1	99.2	-178	-72.6	-177.1	-178.6	165.8	1.8	113.6	K261	K261-R264 PolarHBondContact O-N 2.93Å
265	K	29.2	Very low	41.9	Very low	190 Å²	190	118 Å²	118	83%	0.826	63%	0.634	S	S	*	*			trans	60.9	112.4	157.8	-77.5	177.8	173.7	178.6	0	117.3	F267	K265-F267 PolarHBondContact O-N 3.16Å; K265-F267 VanDerWaalsContact O-N 3.12Å
266	S	28.6	Very low	41.2	Very low	111 Å²	111	123.3 Å²	123.3	78%	0.776	66%	0.658	S	S	*	*			trans	-41.6	108.3	153	48.1	0	0	0	0	111.1
267	F	32.5	Very low	40.7	Very low	198 Å²	198	127 Å²	127	87%	0.868	68%	0.678	S	S	*	*			trans	-81.9	110.5	158.1	-106.4	-95.1	0	0	0	106.6	K265 S269	K265-F267 PolarHBondContact O-N 3.16Å; K265-F267 VanDerWaalsContact O-N 3.12Å; F267-S269 PolarHBondContact O-N 2.77Å; F267-S269 VanDerWaalsContact O-N 3.14Å
268	D	30.9	Very low	40.5	Very low	139 Å²	139	133 Å²	133	74%	0.743	70%	0.7	S	S	*	*			trans	-54.7	117.9	167.6	-84.7	-42	0	0	0	108.5	E270	D268-E270 PolarHBondContact O-N 3.28Å
269	S	36.7	Very low	40.9	Very low	121 Å²	121	132.2 Å²	132.2	85%	0.846	70%	0.696	S	S	*	*			trans	-70.3	74.4	172	39.8	0	0	0	0	109.5	F267 N271	F267-S269 PolarHBondContact O-N 2.77Å; F267-S269 VanDerWaalsContact O-N 3.14Å; S269-N271 PolarHBondContact O-N 3.28Å
270	E	34.7	Very low	40.4	Very low	165 Å²	165	132.4 Å²	132.4	77%	0.771	69%	0.693	S	S	*	*			trans	-81.7	100.2	161.4	-75.8	-166.4	163.5	0	0	109	D268 C272	D268-E270 PolarHBondContact O-N 3.28Å; E270-C272 PolarHBondContact O-N 2.73Å; E270-C272 VanDerWaalsContact O-N 3.08Å
271	N	36.9	Very low	40.3	Very low	141 Å²	141	132.3 Å²	132.3	75%	0.754	71%	0.707	S	S	*	*			trans	12.2	85.3	152.1	-142.7	13.9	0	0	0	115.5	S269 Q273	S269-N271 PolarHBondContact O-N 3.28Å; N271-Q273 PolarHBondContact O-N 2.81Å
272	C	39.2	Very low	40.1	Very low	131 Å²	131	134.9 Å²	134.9	89%	0.885	72%	0.724	S	S	*	*			trans	-72.3	74.3	172	-83.5	0	0	0	0	110.6	E270	E270-C272 PolarHBondContact O-N 2.73Å; E270-C272 VanDerWaalsContact O-N 3.08Å
273	Q	34	Very low	40.1	Very low	147 Å²	147	137.1 Å²	137.1	69%	0.687	72%	0.72	S	S	*	*			trans	-80.3	149.2	152.7	-65.3	-162.7	-71.8	0	0	108.8	N271 K275	N271-Q273 PolarHBondContact O-N 2.81Å; Q273-K275 PolarHBondContact O-N 3.49Å; Q273-K275 VanDerWaalsContact O-N 3.11Å
274	P	39.3	Very low	40.7	Very low	108 Å²	108	139.2 Å²	139.2	70%	0.701	72%	0.722	S	S	*	*			trans	-53.8	121.1	174.2	-21.6	31.5	0	0	0	109.7	E276	P274-E276 PolarHBondContact O-N 2.94Å
275	K	53.7	Low	40.9	Very low	209 Å²	209	136.4 Å²	136.4	91%	0.909	72%	0.722	S	S	*	*			trans	-76.7	-3.6	173.3	-73.4	-176.5	177	176.8	0	112.6	Q273 D277	Q273-K275 PolarHBondContact O-N 3.49Å; Q273-K275 VanDerWaalsContact O-N 3.11Å; K275-D277 PolarHBondContact O-N 3.09Å
276	E	50.6	Low	40.9	Very low	124 Å²	124	136.2 Å²	136.2	58%	0.579	72%	0.724	S	S	*	*			trans	-79.7	108	-179.4	-67.9	175.8	-163.2	0	0	109.8	P274 Y278	P274-E276 PolarHBondContact O-N 2.94Å; E276-Y278 HydrophobicContact CB-CD2 4.31Å; E276-Y278 HydrophobicContact CB-CE2 3.75Å; E276-Y278 VanDerWaalsContact O-CD2 3.26Å; E276-Y278 WeakPolarHBondContact O-CD2 3.15Å; E276-Y278 PolarHBondContact O-N 2.82Å; E276-Y278 VanDerWaalsContact OE2-CZ 3.23Å; E276-Y278 PolarHBondContact OE2-OH 3.37Å
277	D	50.4	Low	41.2	Very low	110 Å²	110	136.3 Å²	136.3	59%	0.588	72%	0.722	S	S	*	*			trans	-79.9	89.4	172.2	-175	4.9	0	0	0	110.3	K275 S279 S280	K275-D277 PolarHBondContact O-N 3.09Å; D277-S279 PolarHBondContact O-N 3.46Å; D277-S279 VanDerWaalsContact O-N 3.13Å; D277-S279 WeakPolarHBondContact OD1-CB 3.45Å; D277-S279 PolarHBondContact OD1-N 3.13Å; D277-S279 PolarHBondContact OD1-OG 3.18Å; D277-S279 PolarHBondContact OD2-OG 3.19Å; D277-S280 PolarHBondContact O-N 3.37Å; D277-S280 PolarHBondContact O-OG 3.22Å; D277-S280 VanDerWaalsContact O-OG 3.09Å
278	Y	52.7	Low	41.1	Very low	156 Å²	156	136.5 Å²	136.5	61%	0.612	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-4.6	176.1	-64.4	-82.2	0	0	0	113.8	E276 S280 A281	E276-Y278 HydrophobicContact CB-CD2 4.31Å; E276-Y278 HydrophobicContact CB-CE2 3.75Å; E276-Y278 VanDerWaalsContact O-CD2 3.26Å; E276-Y278 WeakPolarHBondContact O-CD2 3.15Å; E276-Y278 PolarHBondContact O-N 2.82Å; E276-Y278 VanDerWaalsContact OE2-CZ 3.23Å; E276-Y278 PolarHBondContact OE2-OH 3.37Å; Y278-S280 PolarHBondContact O-N 2.9Å; Y278-A281 PolarHBondContact O-N 3.35Å
279	S	62.3	Low	41.1	Very low	57 Å²	57	137 Å²	137	40%	0.399	72%	0.724	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69	-22.2	177.2	75.3	0	0	0	0	112.8	D277 L282	D277-S279 PolarHBondContact O-N 3.46Å; D277-S279 VanDerWaalsContact O-N 3.13Å; D277-S279 WeakPolarHBondContact OD1-CB 3.45Å; D277-S279 PolarHBondContact OD1-N 3.13Å; D277-S279 PolarHBondContact OD1-OG 3.18Å; D277-S279 PolarHBondContact OD2-OG 3.19Å; S279-L282 PolarHBondContact O-N 3.36Å
280	S	43.7	Very low	40.8	Very low	77 Å²	77	138.3 Å²	138.3	54%	0.538	72%	0.721	S	S	.	*	G	3₁₀ helix	trans	-72.4	-33.3	178.3	62	0	0	0	0	113.3	D277 Y278 L282 K283	D277-S280 PolarHBondContact O-N 3.37Å; D277-S280 PolarHBondContact O-OG 3.22Å; D277-S280 VanDerWaalsContact O-OG 3.09Å; Y278-S280 PolarHBondContact O-N 2.9Å; S280-L282 PolarHBondContact O-N 3.47Å; S280-K283 PolarHBondContact O-N 3.18Å; S280-K283 VanDerWaalsContact O-N 3.13Å
281	A	48.2	Very low	40.5	Very low	85 Å²	85	139.2 Å²	139.2	70%	0.702	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-67.6	-15.7	175.2	0	0	0	0	0	113	Y278	Y278-A281 PolarHBondContact O-N 3.35Å
282	L	43.2	Very low	40.1	Very low	145 Å²	145	138 Å²	138	76%	0.759	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-95.4	-2.8	176.4	-63.4	176.6	0	0	0	113.5	S279 S280 I284	S279-L282 PolarHBondContact O-N 3.36Å; S280-L282 PolarHBondContact O-N 3.47Å; L282-I284 PolarHBondContact O-N 3.41Å
283	K	35.1	Very low	39.7	Very low	157 Å²	157	137.8 Å²	137.8	68%	0.683	72%	0.72	S	S	*	*			trans	-80	72.2	172.6	-65.4	-172.9	-175.9	177.7	0	109.7	S280 N285	S280-K283 PolarHBondContact O-N 3.18Å; S280-K283 VanDerWaalsContact O-N 3.13Å; K283-N285 PolarHBondContact O-N 2.89Å
284	I	41.7	Very low	39.7	Very low	148 Å²	148	137.7 Å²	137.7	76%	0.759	72%	0.723	S	S	*	*			trans	-56.9	109.8	155.1	-63.9	171.8	0	0	0	105.1	L282 E286	L282-I284 PolarHBondContact O-N 3.41Å; I284-E286 PolarHBondContact O-N 2.8Å
285	N	35.6	Very low	39.5	Very low	146 Å²	146	141.7 Å²	141.7	78%	0.781	73%	0.729	S	S	*	*			trans	-44.2	114.3	172.8	-79	-33.5	0	0	0	108.8	K283 P287	K283-N285 PolarHBondContact O-N 2.89Å; N285-P287 WeakPolarHBondContact O-CD 3.03Å; N285-P287 WeakPolarHBondContact O-CG 3.49Å
286	E	29.6	Very low	38.5	Very low	186 Å²	186	141.8 Å²	141.8	87%	0.869	73%	0.73	S	S	*	*			trans	-54	109.2	170	-70.2	-178.9	165.8	0	0	107.7	I284 K288	I284-E286 PolarHBondContact O-N 2.8Å; E286-K288 PolarHBondContact O-N 3.36Å
287	P	34.3	Very low	38	Very low	113 Å²	113	140.3 Å²	140.3	73%	0.734	74%	0.739	S	S	*	*			trans	-74.7	121.6	-179.3	-8.1	25.3	0	0	0	107.2	N285 I289	N285-P287 WeakPolarHBondContact O-CD 3.03Å; N285-P287 WeakPolarHBondContact O-CG 3.49Å; P287-I289 PolarHBondContact O-N 3.07Å; P287-I289 VanDerWaalsContact O-N 3.09Å
288	K	30.8	Very low	37.5	Very low	201 Å²	201	144.8 Å²	144.8	87%	0.874	75%	0.753	S	S	*	*			trans	-49.6	119.6	168.3	-72.4	-178.9	177.6	177.5	0	108.7	E286 N290	E286-K288 PolarHBondContact O-N 3.36Å; K288-N290 PolarHBondContact O-N 3.35Å
289	I	31	Very low	37.4	Very low	150 Å²	150	144 Å²	144	77%	0.769	76%	0.758	S	S	*	*			trans	-50.7	106.5	178	-61.4	163.8	0	0	0	108.7	P287	P287-I289 PolarHBondContact O-N 3.07Å; P287-I289 VanDerWaalsContact O-N 3.09Å
290	N	30.2	Very low	36.4	Very low	149 Å²	149	146.3 Å²	146.3	80%	0.797	77%	0.772	S	S	*	*			trans	-133	104.1	153.6	-81.1	-22.1	0	0	0	105.3	K288 P292	K288-N290 PolarHBondContact O-N 3.35Å; N290-P292 VanDerWaalsContact O-CD 3.31Å; N290-P292 WeakPolarHBondContact O-CD 3.49Å
291	E	28.2	Very low	36.3	Very low	183 Å²	183	153.1 Å²	153.1	86%	0.855	79%	0.791	S	S	*	*			trans	-58.4	129.8	171.7	-67.2	179.6	145	0	0	109.1
292	P	29.4	Very low	36.1	Very low	117 Å²	117	152.6 Å²	152.6	76%	0.76	79%	0.794	S	S	*	*				-133.8	132	117.2	22.1	-4.1	0	0	0	112.2	N290	N290-P292 VanDerWaalsContact O-CD 3.31Å; N290-P292 WeakPolarHBondContact O-CD 3.49Å
293	T	29.5	Very low	36.5	Very low	125 Å²	125	151.4 Å²	151.4	77%	0.767	79%	0.793	S	S	*	*			trans	-35	130.5	159	48.4	0	0	0	0	113.6
294	I	34.6	Very low	37.6	Very low	145 Å²	145	151.7 Å²	151.7	74%	0.744	80%	0.797	S	S	*	*				177.6	114.5	117.7	-85.9	154.2	0	0	0	110.9
295	K	34.6	Very low	38.6	Very low	192 Å²	192	148 Å²	148	84%	0.835	78%	0.784	S	S	*	*			trans	59.1	89.9	143.1	-59.2	177.8	-172.2	177	0	119.2	A297	K295-A297 PolarHBondContact O-N 2.99Å
296	K	32.5	Very low	40.1	Very low	211 Å²	211	147 Å²	147	92%	0.917	78%	0.777	S	S	*	*			trans	-23.9	107.4	155.3	-61.5	179.1	177.8	179.8	0	114.3
297	A	41.2	Very low	42	Very low	94 Å²	94	142.7 Å²	142.7	78%	0.777	76%	0.764	S	S	*	*			trans	-70.6	125.7	160.8	0	0	0	0	0	109	K295 I299	K295-A297 PolarHBondContact O-N 2.99Å; A297-I299 PolarHBondContact O-N 3.5Å
298	K	40.2	Very low	43.5	Very low	203 Å²	203	141.9 Å²	141.9	88%	0.883	75%	0.754	S	S	*	*			trans	-67.7	115.4	-179	-72.7	174.5	176.4	174.5	0	109.7
299	I	49.7	Very low	45.3	Very low	141 Å²	141	141.1 Å²	141.1	72%	0.723	75%	0.751	S	S	*	*			trans	-65.4	127.1	167.5	-61.2	167.2	0	0	0	107.7	A297 K301 V303	A297-I299 PolarHBondContact O-N 3.5Å; I299-K301 PolarHBondContact O-N 3Å; I299-V303 HydrophobicContact CG2-CG2 4.23Å
300	P	42.3	Very low	47.4	Very low	105 Å²	105	142.2 Å²	142.2	68%	0.682	75%	0.75	S	S	*	*			trans	-63.8	129.6	-179.8	2.7	-0.1	0	0	0	111.1	G302	P300-G302 PolarHBondContact O-N 2.78Å; P300-G302 VanDerWaalsContact O-N 3.08Å
301	K	41.1	Very low	48.7	Very low	219 Å²	219	138.6 Å²	138.6	95%	0.952	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	107.7	175.7	-66.6	-179.9	176.5	-177.7	0	109.1	I299	I299-K301 PolarHBondContact O-N 3Å
302	G	44.2	Very low	50.1	Low	74 Å²	74	139.5 Å²	139.5	76%	0.763	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	161.5	-22.4	175.3	0	0	0	0	0	115.3	P300 Q304	P300-G302 PolarHBondContact O-N 2.78Å; P300-G302 VanDerWaalsContact O-N 3.08Å; G302-Q304 PolarHBondContact O-N 2.9Å
303	V	50.5	Low	50.9	Low	120 Å²	120	147.4 Å²	147.4	73%	0.727	76%	0.76	S	S	*	*			trans	-85	99.9	173.3	-93.2	0	0	0	0	109.8	I299	I299-V303 HydrophobicContact CG2-CG2 4.23Å
304	Q	57.7	Low	52	Low	164 Å²	164	148.5 Å²	148.5	77%	0.766	76%	0.76	S	S	*	*			trans	-73.9	137.2	165.1	-67	-166.5	-1.6	0	0	109.1	G302 I306	G302-Q304 PolarHBondContact O-N 2.9Å; Q304-I306 PolarHBondContact O-N 3.31Å
305	S	64.6	Low	52.9	Low	70 Å²	70	148.7 Å²	148.7	49%	0.49	76%	0.76	S	S	.	*			trans	-60.7	136	179.2	-171.3	0	0	0	0	110.7	T307 N308	S305-T307 PolarHBondContact O-N 3.03Å; S305-T307 PolarHBondContact OG-OG1 3.08Å; S305-N308 PolarHBondContact O-N 3.09Å
306	I	66.5	Low	53.9	Low	124 Å²	124	146.3 Å²	146.3	64%	0.636	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-52	-24.8	173	-79.6	170.1	0	0	0	112.1	Q304 N308 F309 F310	Q304-I306 PolarHBondContact O-N 3.31Å; I306-N308 PolarHBondContact O-N 2.99Å; I306-N308 VanDerWaalsContact O-N 3.09Å; I306-F309 WeakPolarHBondContact O-CB 3.31Å; I306-F309 PolarHBondContact O-N 3.26Å; I306-F310 HydrophobicContact CG2-CD2 4.22Å; I306-F310 HydrophobicContact CG2-CE2 3.88Å
307	T	68.7	Low	55.2	Low	97 Å²	97	142.5 Å²	142.5	60%	0.595	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-54.5	-29.7	175.2	-26.7	0	0	0	0	113	S305 F309 S311	S305-T307 PolarHBondContact O-N 3.03Å; S305-T307 PolarHBondContact OG-OG1 3.08Å; T307-F309 VanDerWaalsContact C-N 3.34Å; T307-F309 PolarHBondContact O-N 3.38Å; T307-S311 PolarHBondContact O-N 3.27Å; T307-S311 PolarHBondContact O-OG 3.01Å
308	N	66.8	Low	56	Low	96 Å²	96	145.5 Å²	145.5	51%	0.513	75%	0.745	S	S	.	*	G	3₁₀ helix	trans	-73.2	-23	177.5	-70.6	-2	0	0	0	113.3	S305 I306 F310	S305-N308 PolarHBondContact O-N 3.09Å; I306-N308 PolarHBondContact O-N 2.99Å; I306-N308 VanDerWaalsContact O-N 3.09Å; N308-F310 VanDerWaalsContact C-N 3.33Å
309	F	68.4	Low	57.1	Low	185 Å²	185	141.7 Å²	141.7	81%	0.811	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-30.8	176.8	-94.7	-91.8	0	0	0	112.9	I306 T307	I306-F309 WeakPolarHBondContact O-CB 3.31Å; I306-F309 PolarHBondContact O-N 3.26Å; T307-F309 VanDerWaalsContact C-N 3.34Å; T307-F309 PolarHBondContact O-N 3.38Å
310	F	74.9	Confident	57.6	Low	172 Å²	172	141.7 Å²	141.7	75%	0.754	74%	0.737	S	S	*	*	S	Bend	trans	-98	-3.2	-179.3	-63.4	-76.3	0	0	0	113.1	I306 N308 K312	I306-F310 HydrophobicContact CG2-CD2 4.22Å; I306-F310 HydrophobicContact CG2-CE2 3.88Å; N308-F310 VanDerWaalsContact C-N 3.33Å; F310-K312 PolarHBondContact O-N 3.25Å; F310-K312 VanDerWaalsContact O-N 3.14Å
311	S	57.9	Low	58.8	Low	74 Å²	74	144.5 Å²	144.5	52%	0.517	74%	0.741	S	S	.	*	S	Bend	trans	-73.7	103.4	171.7	-55	0	0	0	0	108.1	T307	T307-S311 PolarHBondContact O-N 3.27Å; T307-S311 PolarHBondContact O-OG 3.01Å
312	K	56.1	Low	60.3	Low	202 Å²	202	138.3 Å²	138.3	88%	0.878	72%	0.723	S	S	*	*			trans	-53.2	144.7	175.7	-91.4	176.8	171.2	175.6	0	111.3	F310	F310-K312 PolarHBondContact O-N 3.25Å; F310-K312 VanDerWaalsContact O-N 3.14Å
313	K	46.9	Very low	61.7	Low	282 Å²	282	144.2 Å²	144.2	100%	1.226	72%	0.72	S	S	*	*			trans	-34	0	170.4	-85	-179.4	172.1	179.1	0	114.2

Retrieved 313 of 313 residues in 490.9 ms (Link to these results)

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