A0A077ZNE5_TRITR Loading...

NUDIX domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNE5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 165 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.8	Very low	47.8	Very low	215 Å²	215	82.2 Å²	82.2	100%	1.059	40%	0.395	S	S	*	.				0	129.4	0	-61.9	-165.2	-141.5	0	0	107.4
2	H	40.4	Very low	46.8	Very low	131 Å²	131	87.9 Å²	87.9	61%	0.606	42%	0.417	S	S	*	.			trans	-92	131.6	-179.8	-62.1	86.5	0	0	0	108.8	L78	H2-L78 HydrophobicContact CB-CD1 4.29Å
3	A	42.8	Very low	45.4	Very low	44 Å²	44	85.4 Å²	85.4	36%	0.364	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.3	177.4	0	0	0	0	0	110	F79	A3-F79 HydrophobicContact CB-CB 4.27Å; A3-F79 PolarHBondContact N-O 3.26Å; A3-F79 PolarHBondContact O-N 2.64Å
4	L	46.6	Very low	44.1	Very low	1 Å²	1	93.9 Å²	93.9	1%	0.005	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.2	177.6	-163.4	87.6	0	0	0	110.9	I6 V76 L78 M148 V157 M162 Q163	L4-I6 HydrophobicContact CD2-CD1 4.36Å; L4-I6 HydrophobicContact CD2-CG1 4.38Å; L4-V76 HydrophobicContact CD1-CG1 3.47Å; L4-V76 VanDerWaalsContact CD1-CG1 3.47Å; L4-V76 HydrophobicContact CD2-CG1 4.14Å; L4-V76 HydrophobicContact CG-CG1 3.87Å; L4-L78 HydrophobicContact CD1-CB 3.77Å; L4-L78 HydrophobicContact CD1-CD1 3.43Å; L4-L78 VanDerWaalsContact CD1-CD1 3.43Å; L4-L78 HydrophobicContact CD1-CG 4.16Å; L4-M148 HydrophobicContact CD1-CE 3.75Å; L4-M148 HydrophobicContact CD1-SD 3.88Å; L4-M148 HydrophobicContact CD2-SD 3.99Å; L4-V157 HydrophobicContact CD2-CG1 4.21Å; L4-M162 HydrophobicContact CD2-CB 3.98Å; L4-M162 HydrophobicContact CD2-CE 3.77Å; L4-M162 HydrophobicContact CD2-CG 3.41Å; L4-M162 VanDerWaalsContact CD2-CG 3.41Å; L4-M162 HydrophobicContact CD2-SD 3.7Å; L4-Q163 PolarHBondContact O-N 3.46Å
5	K	55.7	Low	43	Very low	74 Å²	74	96 Å²	96	32%	0.322	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.4	-176.5	-86.3	166.5	168.1	-177.1	0	110.5	V76 F77 F79 Q163 L165	K5-V76 CarbonylContact O-C 3.56Å; K5-F77 HydrophobicContact CB-CB 4.08Å; K5-F77 PolarHBondContact N-O 3Å; K5-F77 PolarHBondContact O-N 3Å; K5-F79 HydrophobicContact CB-CE2 4.13Å; K5-F79 HydrophobicContact CD-CD2 4.13Å; K5-F79 HydrophobicContact CD-CE2 3.59Å; K5-F79 HydrophobicContact CD-CZ 4.31Å; K5-F79 HydrophobicContact CG-CE2 4.34Å; K5-Q163 CarbonylContact C-O 3.59Å; K5-Q163 WeakPolarHBondContact CA-O 3.41Å; K5-L165 HydrophobicContact CB-CD1 3.72Å; K5-L165 HydrophobicContact CB-CD2 4.08Å; K5-L165 HydrophobicContact CB-CG 3.65Å; K5-L165 HydrophobicContact CD-CD1 4.22Å; K5-L165 HydrophobicContact CD-CD2 3.56Å; K5-L165 HydrophobicContact CD-CG 4.09Å; K5-L165 HydrophobicContact CG-CD1 4.18Å; K5-L165 HydrophobicContact CG-CD2 3.6Å; K5-L165 HydrophobicContact CG-CG 3.75Å
6	I	57.3	Low	42.2	Very low	5 Å²	5	95.4 Å²	95.4	3%	0.026	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.6	-176.6	-61.5	-174.1	0	0	0	109.6	L4 S75 V76 I140 K141 A144 M162 Q163 K164 L165	L4-I6 HydrophobicContact CD2-CD1 4.36Å; L4-I6 HydrophobicContact CD2-CG1 4.38Å; I6-S75 WeakPolarHBondContact CA-O 3.27Å; I6-V76 HydrophobicContact CG1-CG2 4.46Å; I6-I140 HydrophobicContact CG2-CG2 3.91Å; I6-K141 HydrophobicContact CD1-CG 4.06Å; I6-A144 HydrophobicContact CD1-CB 3.8Å; I6-M162 HydrophobicContact CD1-CB 3.67Å; I6-M162 HydrophobicContact CD1-CG 4.16Å; I6-M162 HydrophobicContact CD1-SD 3.59Å; I6-M162 VanDerWaalsContact CD1-SD 3.59Å; I6-M162 HydrophobicContact CG1-CB 4.35Å; I6-Q163 PolarHBondContact N-O 3.01Å; I6-K164 WeakPolarHBondContact O-CA 3.45Å; I6-L165 PolarHBondContact O-N 2.83Å
7	R	53.1	Low	41.5	Very low	130 Å²	130	97.5 Å²	97.5	49%	0.491	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.9	167.2	-74.2	-175.4	174.5	-171	-0.9	110.1	F74 S75 F77 L165	R7-F74 WeakPolarHBondContact O-CA 3.48Å; R7-S75 PolarHBondContact N-O 3.32Å; R7-S75 PolarHBondContact O-N 2.77Å; R7-F77 HydrophobicContact CB-CE2 4.39Å; R7-F77 HydrophobicContact CG-CE2 4.2Å; R7-L165 HydrophobicContact CG-CB 3.64Å; R7-L165 HydrophobicContact CG-CD1 3.89Å; R7-L165 HydrophobicContact CG-CG 4.34Å
8	P	53.8	Low	40.8	Very low	37 Å²	37	98.8 Å²	98.8	24%	0.24	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	132.2	159.6	28.8	-30.4	0	0	0	108	I140	P8-I140 HydrophobicContact CB-CD1 3.83Å
9	F	55.4	Low	40.2	Very low	122 Å²	122	97.2 Å²	97.2	54%	0.535	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	132.9	-178.2	-160.7	-96.4	0	0	0	110.8	H11 A73	F9-H11 PolarHBondContact O-N 3Å; F9-A73 PolarHBondContact N-O 3.45Å; F9-A73 VanDerWaalsContact N-O 3.08Å
10	L	38.8	Very low	39.8	Very low	45 Å²	45	100.4 Å²	100.4	24%	0.236	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	106.3	164.9	-74.6	156.8	0	0	0	107.7	F12 V43 D47 L70	L10-F12 PolarHBondContact O-N 3.41Å; L10-V43 HydrophobicContact CD2-CG2 3.68Å; L10-D47 HydrophobicContact CD1-CB 4.22Å; L10-D47 HydrophobicContact CD2-CB 4.17Å; L10-D47 HydrophobicContact CG-CB 4.34Å; L10-L70 HydrophobicContact CD2-CD1 4.08Å; L10-L70 HydrophobicContact CD2-CD2 4.2Å; L10-L70 HydrophobicContact CD2-CG 4.28Å
11	H	40.6	Very low	39.3	Very low	100 Å²	100	106.6 Å²	106.6	46%	0.463	56%	0.558	S	S	.	*			trans	-75.3	110.3	-175.7	-165.1	68.2	0	0	0	112	F9	F9-H11 PolarHBondContact O-N 3Å
12	F	35.4	Very low	38.8	Very low	151 Å²	151	99.1 Å²	99.1	66%	0.662	53%	0.53	S	S	*	.			trans	-93.5	126	162.7	-74.6	-85.2	0	0	0	109.8	L10 K14	L10-F12 PolarHBondContact O-N 3.41Å; F12-K14 PolarHBondContact O-N 3.17Å
13	S	29	Very low	38.4	Very low	55 Å²	55	101.5 Å²	101.5	39%	0.385	54%	0.539	S	S	.	.			trans	-78	85.3	177.2	51.6	0	0	0	0	111.7
14	K	26.9	Very low	38.1	Very low	204 Å²	204	102.8 Å²	102.8	89%	0.887	55%	0.55	S	S	*	*			trans	-138.4	99.9	157.6	-87.3	-174.7	177.4	177.4	0	109	F12	F12-K14 PolarHBondContact O-N 3.17Å
15	L	28.3	Very low	37.3	Very low	126 Å²	126	108.7 Å²	108.7	66%	0.66	59%	0.592	S	S	*	*			trans	-105	120.2	170.3	-91.3	160.1	0	0	0	109	L96 I112	L15-L96 HydrophobicContact CD1-CD1 4.18Å; L15-I112 HydrophobicContact CD1-CD1 3.82Å
16	A	29.2	Very low	36.2	Very low	86 Å²	86	108.1 Å²	108.1	71%	0.711	61%	0.606	S	S	*	*			trans	-137.3	120.8	165.7	0	0	0	0	0	110.3
17	T	30.1	Very low	35	Very low	131 Å²	131	116.2 Å²	116.2	80%	0.804	65%	0.65	S	S	*	*			trans	67.4	113.3	146.5	56.7	0	0	0	0	123.5
18	S	29.9	Very low	34.2	Very low	121 Å²	121	115 Å²	115	85%	0.846	66%	0.657	S	S	*	*			trans	59.8	117.1	130.1	62	0	0	0	0	122.8
19	G	29.4	Very low	33.2	Very low	68 Å²	68	118.7 Å²	118.7	70%	0.701	68%	0.681	S	S	*	*			trans	125.6	104.7	139.1	0	0	0	0	0	114.4
20	L	31.2	Very low	32.4	Very low	161 Å²	161	115.7 Å²	115.7	84%	0.843	68%	0.675	S	S	*	*			trans	-179.1	149.1	143.5	-95.4	147.3	0	0	0	111.5
21	R	30	Very low	31.9	Very low	232 Å²	232	125.5 Å²	125.5	88%	0.875	71%	0.708	S	S	*	*			trans	-80.6	165.1	-166.6	-74	179.8	-175.4	-142.1	0.7	113.8
22	A	30.9	Very low	31.8	Very low	58 Å²	58	124.8 Å²	124.8	48%	0.479	71%	0.707	S	S	.	*			trans	-85.3	152.9	-164	0	0	0	0	0	116.5	W116	A22-W116 HydrophobicContact CB-CH2 3.51Å; A22-W116 HydrophobicContact CB-CZ2 3.21Å
23	F	31.5	Very low	32.2	Very low	180 Å²	180	122 Å²	122	79%	0.789	70%	0.695	S	S	*	*			trans	-164	155.8	130.9	-112.3	-83.2	0	0	0	110.5	W116	F23-W116 WeakPolarHBondContact O-CZ3 3.41Å
24	A	37	Very low	32.5	Very low	72 Å²	72	122.1 Å²	122.1	60%	0.595	70%	0.696	S	S	*	*			trans	101.2	86.5	-178.6	0	0	0	0	0	116.2
25	S	29.1	Very low	33.3	Very low	125 Å²	125	117 Å²	117	87%	0.874	69%	0.686	S	S	*	*			trans	-88.5	113.6	160.3	64.2	0	0	0	0	109.9
26	G	34.5	Very low	34.5	Very low	61 Å²	61	115.8 Å²	115.8	63%	0.629	68%	0.68	S	S	*	*			trans	-129.4	112.9	165.7	0	0	0	0	0	108.9	T28	G26-T28 PolarHBondContact O-N 3.21Å
27	N	31.8	Very low	36.1	Very low	175 Å²	175	119.3 Å²	119.3	94%	0.936	69%	0.686	S	S	*	*			trans	-78.3	40.5	-179.9	-91	-8.7	0	0	0	112.7
28	T	35.7	Very low	38.7	Very low	104 Å²	104	115.6 Å²	115.6	64%	0.638	66%	0.663	S	S	*	*			trans	-87.2	130.7	175.3	-34.7	0	0	0	0	108.5	G26 C30	G26-T28 PolarHBondContact O-N 3.21Å; T28-C30 PolarHBondContact O-N 2.9Å
29	P	31.5	Very low	41.7	Very low	115 Å²	115	112 Å²	112	75%	0.747	64%	0.637	S	S	*	*			trans	-59	104.1	171.5	-14.9	26.9	0	0	0	108	R31	P29-R31 PolarHBondContact O-N 2.75Å
30	C	39.1	Very low	44.8	Very low	60 Å²	60	109 Å²	109	41%	0.405	60%	0.604	S	S	.	*			trans	-49.8	117	156.3	-99.3	0	0	0	0	104.6	T28 L32 A91	T28-C30 PolarHBondContact O-N 2.9Å; C30-L32 WeakPolarHBondContact O-CD1 3.39Å; C30-L32 PolarHBondContact O-N 3.02Å; C30-A91 HydrophobicContact CB-CB 4.31Å
31	R	28.6	Very low	47.8	Very low	250 Å²	250	101.3 Å²	101.3	94%	0.943	56%	0.564	S	S	*	*			trans	-57.9	95.7	161.1	-78.8	-168	-168.3	-163.5	4.6	104.3	P29 F33	P29-R31 PolarHBondContact O-N 2.75Å; R31-F33 PolarHBondContact O-N 3.33Å
32	L	39.4	Very low	50.8	Low	85 Å²	85	90.8 Å²	90.8	45%	0.445	53%	0.527	S	S	.	.			trans	-46.7	139.6	-173.8	-99.6	83.1	0	0	0	106.9	C30 S34 K93	C30-L32 WeakPolarHBondContact O-CD1 3.39Å; C30-L32 PolarHBondContact O-N 3.02Å; L32-S34 PolarHBondContact O-N 2.92Å; L32-K93 HydrophobicContact CD1-CB 3.96Å; L32-K93 HydrophobicContact CD1-CD 3.37Å; L32-K93 HydrophobicContact CD1-CG 4.27Å; L32-K93 HydrophobicContact CD2-CB 3.44Å; L32-K93 VanDerWaalsContact CD2-CB 3.44Å; L32-K93 HydrophobicContact CD2-CD 3.78Å; L32-K93 HydrophobicContact CD2-CG 4Å; L32-K93 HydrophobicContact CG-CB 3.55Å; L32-K93 HydrophobicContact CG-CD 3.9Å; L32-K93 HydrophobicContact CG-CG 4.3Å
33	F	42	Very low	53.9	Low	93 Å²	93	88.3 Å²	88.3	41%	0.408	51%	0.506	S	S	.	.			trans	-11.6	79.8	149	-136.6	-96.9	0	0	0	111.5	R31 S35 K94	R31-F33 PolarHBondContact O-N 3.33Å; F33-S35 PolarHBondContact O-N 3.21Å; F33-K94 HydrophobicContact CD2-CG 3.73Å; F33-K94 HydrophobicContact CE2-CG 4.23Å
34	S	35.8	Very low	56.7	Low	57 Å²	57	81.5 Å²	81.5	40%	0.399	48%	0.478	S	S	.	.			trans	-77.3	129.1	169.3	-175.3	0	0	0	0	101.9	L32 D36	L32-S34 PolarHBondContact O-N 2.92Å; S34-D36 VanDerWaalsContact CB-OD1 3.24Å; S34-D36 WeakPolarHBondContact CB-OD1 3.1Å; S34-D36 WeakPolarHBondContact CB-OD2 3.23Å; S34-D36 PolarHBondContact O-N 2.86Å; S34-D36 PolarHBondContact OG-N 2.72Å; S34-D36 PolarHBondContact OG-OD1 2.95Å; S34-D36 PolarHBondContact OG-OD2 3.39Å
35	S	43.4	Very low	59.3	Low	98 Å²	98	83.3 Å²	83.3	69%	0.685	48%	0.482	S	S	*	.			trans	-58.2	43.7	152.6	50	0	0	0	0	111.1	F33 L37	F33-S35 PolarHBondContact O-N 3.21Å; S35-L37 PolarHBondContact O-N 3.11Å
36	D	53.3	Low	62.3	Low	100 Å²	100	86.3 Å²	86.3	54%	0.535	47%	0.474	S	S	.	.			trans	-65.1	124.1	171.5	-74.2	-22.7	0	0	0	105.2	S34 T38	S34-D36 VanDerWaalsContact CB-OD1 3.24Å; S34-D36 WeakPolarHBondContact CB-OD1 3.1Å; S34-D36 WeakPolarHBondContact CB-OD2 3.23Å; S34-D36 PolarHBondContact O-N 2.86Å; S34-D36 PolarHBondContact OG-N 2.72Å; S34-D36 PolarHBondContact OG-OD1 2.95Å; S34-D36 PolarHBondContact OG-OD2 3.39Å; D36-T38 HydrophobicContact CB-CG2 4.22Å; D36-T38 PolarHBondContact O-N 2.97Å; D36-T38 PolarHBondContact O-OG1 2.93Å
37	L	62.9	Low	64.9	Low	159 Å²	159	85.8 Å²	85.8	83%	0.832	46%	0.456	S	S	*	.			trans	-58	67.6	178.8	-63	163.5	0	0	0	110.5	S35	S35-L37 PolarHBondContact O-N 3.11Å
38	T	85.2	Confident	67.8	Low	53 Å²	53	81 Å²	81	33%	0.325	43%	0.431	S	S	.	.			trans	-106	130	-178.8	48.4	0	0	0	0	107.8	D36 T55 L125	D36-T38 HydrophobicContact CB-CG2 4.22Å; D36-T38 PolarHBondContact O-N 2.97Å; D36-T38 PolarHBondContact O-OG1 2.93Å; T38-T55 WeakPolarHBondContact O-CB 3.39Å; T38-T55 PolarHBondContact O-N 3.46Å; T38-T55 PolarHBondContact O-OG1 3.21Å; T38-T55 PolarHBondContact OG1-OG1 2.61Å; T38-L125 HydrophobicContact CG2-CD2 4.39Å
39	T	93	Very high	70.5	Confident	47 Å²	47	78.9 Å²	78.9	29%	0.288	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131	-178.5	-42.1	0	0	0	0	109.4	S52 Y126	T39-S52 WeakPolarHBondContact CG2-OG 3.45Å; T39-Y126 HydrophobicContact CG2-CG 4.49Å; T39-Y126 PolarHBondContact O-N 3.37Å
40	L	94.2	Very high	73.5	Confident	3 Å²	3	78.1 Å²	78.1	2%	0.016	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	160.1	-179.5	-52.7	-174.3	0	0	0	110.3	A42 S52 I53 T55 A58 H71 H123 L125	L40-A42 PolarHBondContact O-N 2.67Å; L40-S52 CarbonylContact O-C 3.6Å; L40-S52 WeakPolarHBondContact O-CA 3.45Å; L40-I53 HydrophobicContact CB-CG2 4.13Å; L40-I53 PolarHBondContact N-O 3.09Å; L40-I53 PolarHBondContact O-N 2.91Å; L40-T55 HydrophobicContact CD1-CG2 4.36Å; L40-T55 WeakPolarHBondContact CD2-OG1 3.15Å; L40-T55 VanDerWaalsContact CG-OG1 3.31Å; L40-T55 WeakPolarHBondContact CG-OG1 3.39Å; L40-A58 HydrophobicContact CD1-CB 4.01Å; L40-H71 HydrophobicContact CB-CB 4.48Å; L40-H123 HydrophobicContact CD1-CB 4.01Å; L40-H123 HydrophobicContact CD2-CB 3.67Å; L40-H123 HydrophobicContact CG-CB 4.34Å; L40-L125 HydrophobicContact CD2-CD2 4.37Å
41	I	94.2	Very high	76.1	Confident	0 Å²	0	76 Å²	76	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	111.4	176.2	-51.9	179.8	0	0	0	109.3	V43 V49 H71 R72 P124 Y126 M131	I41-V43 HydrophobicContact CG2-CG1 3.99Å; I41-V49 HydrophobicContact CG2-CB 4.32Å; I41-V49 HydrophobicContact CG2-CG1 3.86Å; I41-V49 HydrophobicContact CG2-CG2 3.69Å; I41-H71 CarbonylContact O-C 3.49Å; I41-H71 WeakPolarHBondContact O-CA 3.34Å; I41-H71 WeakPolarHBondContact O-CB 3.42Å; I41-R72 HydrophobicContact CB-CB 4.13Å; I41-R72 HydrophobicContact CG2-CB 4.47Å; I41-R72 PolarHBondContact O-N 2.78Å; I41-P124 HydrophobicContact CD1-CB 3.85Å; I41-P124 HydrophobicContact CD1-CG 3.74Å; I41-P124 HydrophobicContact CG1-CG 4.28Å; I41-Y126 HydrophobicContact CB-CD2 4.5Å; I41-Y126 HydrophobicContact CG1-CD2 4.24Å; I41-M131 HydrophobicContact CD1-CB 4.31Å; I41-M131 HydrophobicContact CD1-CG 3.68Å; I41-M131 HydrophobicContact CG1-CG 4.02Å
42	A	94.5	Very high	79.3	Confident	12 Å²	12	67.3 Å²	67.3	10%	0.099	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	136	173	0	0	0	0	0	109.5	L40 V50 G51 I53 L70	L40-A42 PolarHBondContact O-N 2.67Å; A42-V50 HydrophobicContact CB-CG2 3.93Å; A42-V50 PolarHBondContact O-N 3.13Å; A42-G51 WeakPolarHBondContact CB-O 3.5Å; A42-G51 PolarHBondContact N-O 3.44Å; A42-I53 HydrophobicContact CB-CB 4.1Å; A42-I53 HydrophobicContact CB-CG2 3.94Å; A42-L70 WeakPolarHBondContact CA-O 3.26Å
43	V	94.1	Very high	81.9	Confident	6 Å²	6	64.2 Å²	64.2	4%	0.036	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	157.7	-175.7	-57.5	0	0	0	0	112.6	L10 I41 N48 L70 R72	L10-V43 HydrophobicContact CD2-CG2 3.68Å; I41-V43 HydrophobicContact CG2-CG1 3.99Å; V43-N48 CarbonylContact C-O 3.47Å; V43-N48 WeakPolarHBondContact CA-O 3.33Å; V43-N48 WeakPolarHBondContact CB-O 3.38Å; V43-L70 HydrophobicContact CG2-CD2 4.27Å; V43-L70 HydrophobicContact CG2-CG 3.84Å; V43-L70 PolarHBondContact N-O 2.96Å; V43-L70 VanDerWaalsContact N-O 3.07Å; V43-L70 WeakPolarHBondContact O-CB 3.23Å; V43-L70 WeakPolarHBondContact O-CD2 3.12Å; V43-L70 WeakPolarHBondContact O-CG 3.3Å; V43-R72 HydrophobicContact CG1-CB 4.12Å
44	D	92.2	Very high	84.3	Confident	37 Å²	37	63.3 Å²	63.3	20%	0.198	36%	0.36	C	S	.	.			trans	-81.5	178.1	167.5	79.9	-0.5	0	0	0	111.7	R46 D47 N48 V50 L70	D44-R46 PolarHBondContact O-N 3.19Å; D44-R46 VanDerWaalsContact OD1-C 3.31Å; D44-R46 VanDerWaalsContact OD1-CA 3.29Å; D44-R46 WeakPolarHBondContact OD1-CA 3.44Å; D44-R46 WeakPolarHBondContact OD1-CB 3.41Å; D44-R46 PolarHBondContact OD1-N 3.07Å; D44-R46 IonicContact OD2-CZ 3.34Å; D44-R46 IonicContact OD2-NE 3.66Å; D44-R46 PolarHBondContact OD2-NE 3Å; D44-R46 IonicContact OD2-NH2 3.45Å; D44-R46 PolarHBondContact OD2-NH2 2.99Å; D44-D47 PolarHBondContact O-N 2.94Å; D44-D47 PolarHBondContact OD1-N 3.28Å; D44-N48 PolarHBondContact N-O 3.32Å; D44-N48 WeakPolarHBondContact OD1-CB 3.33Å; D44-N48 PolarHBondContact OD1-N 3.23Å; D44-N48 PolarHBondContact OD1-ND2 2.8Å; D44-N48 VanDerWaalsContact OD1-ND2 3.15Å; D44-N48 PolarHBondContact OD2-ND2 3.05Å; D44-V50 HydrophobicContact CB-CG1 3.89Å; D44-L70 WeakPolarHBondContact O-CD2 3.28Å
45	T	90.8	Very high	86.7	Confident	110 Å²	110	61.6 Å²	61.6	68%	0.675	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-7.7	-179.5	55.3	0	0	0	0	114.3	L70	T45-L70 HydrophobicContact CG2-CD2 4.24Å
46	R	91.4	Very high	88.8	Confident	188 Å²	188	63.1 Å²	63.1	71%	0.709	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	13.3	176.5	-61.8	177.2	-64.3	174.7	2.1	111.7	D44 N48	D44-R46 PolarHBondContact O-N 3.19Å; D44-R46 VanDerWaalsContact OD1-C 3.31Å; D44-R46 VanDerWaalsContact OD1-CA 3.29Å; D44-R46 WeakPolarHBondContact OD1-CA 3.44Å; D44-R46 WeakPolarHBondContact OD1-CB 3.41Å; D44-R46 PolarHBondContact OD1-N 3.07Å; D44-R46 IonicContact OD2-CZ 3.34Å; D44-R46 IonicContact OD2-NE 3.66Å; D44-R46 PolarHBondContact OD2-NE 3Å; D44-R46 IonicContact OD2-NH2 3.45Å; D44-R46 PolarHBondContact OD2-NH2 2.99Å; R46-N48 WeakPolarHBondContact CB-ND2 3.36Å; R46-N48 PolarHBondContact NE-ND2 2.84Å; R46-N48 PolarHBondContact O-N 3.41Å
47	D	90.3	Very high	90.5	Very high	49 Å²	49	61.2 Å²	61.2	26%	0.262	33%	0.331	S	S	.	.	S	Bend	trans	63.2	21.6	-177	-163.7	31.1	0	0	0	114.3	L10 D44 R72	L10-D47 HydrophobicContact CD1-CB 4.22Å; L10-D47 HydrophobicContact CD2-CB 4.17Å; L10-D47 HydrophobicContact CG-CB 4.34Å; D44-D47 PolarHBondContact O-N 2.94Å; D44-D47 PolarHBondContact OD1-N 3.28Å; D47-R72 PolarHBondContact O-NH2 2.92Å; D47-R72 IonicContact OD1-CZ 2.91Å; D47-R72 IonicContact OD1-NE 3.39Å; D47-R72 PolarHBondContact OD1-NE 2.94Å; D47-R72 IonicContact OD1-NH2 2.62Å; D47-R72 IonicContact OD2-NE 3.12Å
48	N	91.9	Very high	91.7	Very high	76 Å²	76	53.8 Å²	53.8	41%	0.406	29%	0.292	S	S	.	.			trans	-78.6	134	170.6	-55.6	-60.9	0	0	0	109.7	V43 D44 R46 V50	V43-N48 CarbonylContact C-O 3.47Å; V43-N48 WeakPolarHBondContact CA-O 3.33Å; V43-N48 WeakPolarHBondContact CB-O 3.38Å; D44-N48 PolarHBondContact N-O 3.32Å; D44-N48 WeakPolarHBondContact OD1-CB 3.33Å; D44-N48 PolarHBondContact OD1-N 3.23Å; D44-N48 PolarHBondContact OD1-ND2 2.8Å; D44-N48 VanDerWaalsContact OD1-ND2 3.15Å; D44-N48 PolarHBondContact OD2-ND2 3.05Å; R46-N48 WeakPolarHBondContact CB-ND2 3.36Å; R46-N48 PolarHBondContact NE-ND2 2.84Å; R46-N48 PolarHBondContact O-N 3.41Å; N48-V50 PolarHBondContact O-N 2.95Å
49	V	92.9	Very high	91.6	Very high	58 Å²	58	52.4 Å²	52.4	35%	0.352	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	122.1	176.4	-177.6	0	0	0	0	110.1	I41 Y126 M131	I41-V49 HydrophobicContact CG2-CB 4.32Å; I41-V49 HydrophobicContact CG2-CG1 3.86Å; I41-V49 HydrophobicContact CG2-CG2 3.69Å; V49-Y126 HydrophobicContact CG1-CE2 4.23Å; V49-M131 HydrophobicContact CG1-CE 4.41Å
50	V	94.1	Very high	91.2	Very high	99 Å²	99	51.2 Å²	51.2	60%	0.6	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	-4.4	176.3	-61.9	0	0	0	0	112.9	A42 D44 N48	A42-V50 HydrophobicContact CB-CG2 3.93Å; A42-V50 PolarHBondContact O-N 3.13Å; D44-V50 HydrophobicContact CB-CG1 3.89Å; N48-V50 PolarHBondContact O-N 2.95Å
51	G	94.7	Very high	90.6	Very high	17 Å²	17	53.8 Å²	53.8	18%	0.175	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.8	-141.3	179.2	0	0	0	0	0	111.1	A42 Y126	A42-G51 WeakPolarHBondContact CB-O 3.5Å; A42-G51 PolarHBondContact N-O 3.44Å; G51-Y126 VanDerWaalsContact C-CE2 3.42Å; G51-Y126 WeakPolarHBondContact O-CD2 3.49Å; G51-Y126 WeakPolarHBondContact O-CE2 2.97Å
52	S	94.8	Very high	90.1	Very high	66 Å²	66	56.2 Å²	56.2	46%	0.462	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.4	-170.1	84.6	0	0	0	0	110.8	T39 L40 Y126	T39-S52 WeakPolarHBondContact CG2-OG 3.45Å; L40-S52 CarbonylContact O-C 3.6Å; L40-S52 WeakPolarHBondContact O-CA 3.45Å; S52-Y126 VanDerWaalsContact CB-CD1 3.45Å; S52-Y126 VanDerWaalsContact CB-CG 3.43Å
53	I	93.4	Very high	89.7	Confident	21 Å²	21	57.1 Å²	57.1	11%	0.108	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.1	177.3	-173.6	166.9	0	0	0	110.5	L40 A42 D57 A58 A68 H71	L40-I53 HydrophobicContact CB-CG2 4.13Å; L40-I53 PolarHBondContact N-O 3.09Å; L40-I53 PolarHBondContact O-N 2.91Å; A42-I53 HydrophobicContact CB-CB 4.1Å; A42-I53 HydrophobicContact CB-CG2 3.94Å; I53-D57 HydrophobicContact CD1-CB 4.32Å; I53-D57 HydrophobicContact CG1-CB 3.99Å; I53-A58 HydrophobicContact CD1-CB 4.02Å; I53-A58 HydrophobicContact CG1-CB 4.06Å; I53-A58 HydrophobicContact CG2-CB 3.87Å; I53-A68 WeakPolarHBondContact CD1-O 3.35Å; I53-H71 HydrophobicContact CG2-CB 3.89Å
54	D	92.5	Very high	89.3	Confident	74 Å²	74	58.4 Å²	58.4	40%	0.396	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	139.8	175.6	-73.4	-21.3	0	0	0	110.6	K56 D57 A58	D54-K56 PolarHBondContact O-N 3.24Å; D54-K56 VanDerWaalsContact O-N 3.07Å; D54-D57 HydrophobicContact CB-CB 4.41Å; D54-D57 WeakPolarHBondContact O-CA 3.5Å; D54-D57 PolarHBondContact O-N 2.59Å; D54-A58 PolarHBondContact O-N 3.37Å
55	T	87.9	Confident	88.8	Confident	20 Å²	20	63.8 Å²	63.8	12%	0.123	34%	0.335	C	S	.	.	H	α-helix	trans	-51.9	-37.9	179.9	-65.6	0	0	0	0	112.4	T38 L40 H59	T38-T55 WeakPolarHBondContact O-CB 3.39Å; T38-T55 PolarHBondContact O-N 3.46Å; T38-T55 PolarHBondContact O-OG1 3.21Å; T38-T55 PolarHBondContact OG1-OG1 2.61Å; L40-T55 HydrophobicContact CD1-CG2 4.36Å; L40-T55 WeakPolarHBondContact CD2-OG1 3.15Å; L40-T55 VanDerWaalsContact CG-OG1 3.31Å; L40-T55 WeakPolarHBondContact CG-OG1 3.39Å; T55-H59 PolarHBondContact O-N 2.67Å; T55-H59 PolarHBondContact O-ND1 2.85Å
56	K	86.9	Confident	88.7	Confident	131 Å²	131	66.7 Å²	66.7	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-62.5	-41.3	176.9	-177	-176	175.2	-171	0	112.3	D54 H59 S60	D54-K56 PolarHBondContact O-N 3.24Å; D54-K56 VanDerWaalsContact O-N 3.07Å; K56-H59 CarbonylContact O-C 3.5Å; K56-S60 WeakPolarHBondContact O-CB 3.2Å; K56-S60 PolarHBondContact O-N 3.24Å; K56-S60 VanDerWaalsContact O-N 3.11Å
57	D	88.3	Confident	88.3	Confident	60 Å²	60	60.7 Å²	60.7	32%	0.321	33%	0.331	S	S	.	.	H	α-helix	trans	-78.2	-41.3	-178.6	-89.7	25.2	0	0	0	111.4	I53 D54 H59 S60 Q63	I53-D57 HydrophobicContact CD1-CB 4.32Å; I53-D57 HydrophobicContact CG1-CB 3.99Å; D54-D57 HydrophobicContact CB-CB 4.41Å; D54-D57 WeakPolarHBondContact O-CA 3.5Å; D54-D57 PolarHBondContact O-N 2.59Å; D57-H59 PolarHBondContact O-N 3.13Å; D57-H59 VanDerWaalsContact O-N 3.13Å; D57-S60 WeakPolarHBondContact O-CB 3.39Å; D57-S60 PolarHBondContact O-N 2.87Å; D57-Q63 HydrophobicContact CB-CG 4.12Å; D57-Q63 VanDerWaalsContact O-CB 3.26Å; D57-Q63 WeakPolarHBondContact O-CB 3.38Å; D57-Q63 VanDerWaalsContact O-CG 3.25Å; D57-Q63 WeakPolarHBondContact O-CG 3.48Å; D57-Q63 PolarHBondContact OD2-NE2 3.36Å
58	A	87.9	Confident	88	Confident	2 Å²	2	61 Å²	61	2%	0.017	34%	0.34	C	S	.	.	H	α-helix	trans	-54.9	-30.5	172.3	0	0	0	0	0	113	L40 I53 D54 S69 H71	L40-A58 HydrophobicContact CD1-CB 4.01Å; I53-A58 HydrophobicContact CD1-CB 4.02Å; I53-A58 HydrophobicContact CG1-CB 4.06Å; I53-A58 HydrophobicContact CG2-CB 3.87Å; D54-A58 PolarHBondContact O-N 3.37Å; A58-S69 WeakPolarHBondContact O-CB 3.24Å; A58-H71 HydrophobicContact CB-CB 4.45Å; A58-H71 WeakPolarHBondContact CB-ND1 3.42Å
59	H	84	Confident	87.9	Confident	25 Å²	25	58.2 Å²	58.2	12%	0.116	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	13	177.7	-61.3	78.4	0	0	0	112.9	T55 K56 D57 H71 F97 H123	T55-H59 PolarHBondContact O-N 2.67Å; T55-H59 PolarHBondContact O-ND1 2.85Å; K56-H59 CarbonylContact O-C 3.5Å; D57-H59 PolarHBondContact O-N 3.13Å; D57-H59 VanDerWaalsContact O-N 3.13Å; H59-H71 AromaticContact CE1-CE1 3.91Å; H59-H71 AromaticContact CE1-NE2 3.5Å; H59-H71 PolarHBondContact CE1-NE2 3.34Å; H59-H71 AromaticContact NE2-NE2 3.79Å; H59-F97 VanDerWaalsContact O-CD1 3.28Å; H59-F97 WeakPolarHBondContact O-CD1 3.47Å; H59-H123 AromaticContact CE1-CE1 3.36Å; H59-H123 PolarHBondContact CE1-CE1 2.84Å; H59-H123 AromaticContact CE1-NE2 3.84Å; H59-H123 AromaticContact NE2-CE1 3.41Å; H59-H123 PolarHBondContact NE2-CE1 2.96Å; H59-H123 AromaticContact NE2-NE2 3.73Å
60	S	83.9	Confident	87.9	Confident	21 Å²	21	57 Å²	57	15%	0.147	32%	0.318	C	S	.	.			trans	-82.4	128.5	174.8	173.8	0	0	0	0	110	K56 D57 A62 Q63 I64	K56-S60 WeakPolarHBondContact O-CB 3.2Å; K56-S60 PolarHBondContact O-N 3.24Å; K56-S60 VanDerWaalsContact O-N 3.11Å; D57-S60 WeakPolarHBondContact O-CB 3.39Å; D57-S60 PolarHBondContact O-N 2.87Å; S60-A62 PolarHBondContact O-N 2.78Å; S60-A62 PolarHBondContact OG-N 3.43Å; S60-Q63 PolarHBondContact O-N 3.31Å; S60-I64 WeakPolarHBondContact O-CG1 3.15Å; S60-I64 PolarHBondContact O-N 2.84Å
61	W	81.1	Confident	87.8	Confident	57 Å²	57	52.8 Å²	52.8	22%	0.216	29%	0.292	C	S	.	.	H	α-helix	trans	-57	-32.6	174.6	-171.7	-114.1	0	0	0	112.9	I64 K65 F97 S101 P103 L109	W61-I64 HydrophobicContact CE3-CD1 4.49Å; W61-I64 HydrophobicContact CE3-CG2 4.39Å; W61-I64 HydrophobicContact CZ3-CG2 4.4Å; W61-I64 PolarHBondContact O-N 3.21Å; W61-K65 HydrophobicContact CD2-CG 4.48Å; W61-K65 HydrophobicContact CZ2-CG 4.38Å; W61-K65 WeakPolarHBondContact O-CB 3.38Å; W61-K65 WeakPolarHBondContact O-CG 3.37Å; W61-K65 PolarHBondContact O-N 3.23Å; W61-F97 HydrophobicContact CE3-CE1 4.44Å; W61-S101 WeakPolarHBondContact CB-O 3.36Å; W61-P103 VanDerWaalsContact CD1-CD 3.44Å; W61-P103 HydrophobicContact CG-CG 4.41Å; W61-L109 HydrophobicContact CE3-CD1 4.49Å; W61-L109 HydrophobicContact CH2-CD1 4.17Å; W61-L109 HydrophobicContact CZ3-CD1 3.97Å
62	A	85.5	Confident	87.8	Confident	51 Å²	51	52.3 Å²	52.3	42%	0.421	29%	0.285	S	S	.	.	H	α-helix	trans	-68.2	-35	177.8	0	0	0	0	0	112.4	S60 R66	S60-A62 PolarHBondContact O-N 2.78Å; S60-A62 PolarHBondContact OG-N 3.43Å; A62-R66 WeakPolarHBondContact O-CG 3.26Å; A62-R66 PolarHBondContact O-NE 3.41Å
63	Q	86	Confident	87.6	Confident	32 Å²	32	49.7 Å²	49.7	15%	0.15	27%	0.267	C	S	.	.	H	α-helix	trans	-74.4	-42.2	174	-64.3	-70.1	19.4	0	0	110.8	D57 S60 K65 R66 G67 A68	D57-Q63 HydrophobicContact CB-CG 4.12Å; D57-Q63 VanDerWaalsContact O-CB 3.26Å; D57-Q63 WeakPolarHBondContact O-CB 3.38Å; D57-Q63 VanDerWaalsContact O-CG 3.25Å; D57-Q63 WeakPolarHBondContact O-CG 3.48Å; D57-Q63 PolarHBondContact OD2-NE2 3.36Å; S60-Q63 PolarHBondContact O-N 3.31Å; Q63-K65 PolarHBondContact O-N 3.36Å; Q63-R66 CarbonylContact O-C 3.57Å; Q63-R66 PolarHBondContact O-N 3.08Å; Q63-R66 VanDerWaalsContact O-N 3.07Å; Q63-G67 PolarHBondContact O-N 2.53Å; Q63-G67 VanDerWaalsContact O-N 3.17Å; Q63-A68 PolarHBondContact O-N 2.73Å
64	I	84.8	Confident	87.5	Confident	33 Å²	33	48.9 Å²	48.9	17%	0.169	26%	0.263	C	S	.	.	H	α-helix	trans	-58.1	-47.6	177.5	-68.5	162.8	0	0	0	111.1	S60 W61 R66 G67 S69 F97	S60-I64 WeakPolarHBondContact O-CG1 3.15Å; S60-I64 PolarHBondContact O-N 2.84Å; W61-I64 HydrophobicContact CE3-CD1 4.49Å; W61-I64 HydrophobicContact CE3-CG2 4.39Å; W61-I64 HydrophobicContact CZ3-CG2 4.4Å; W61-I64 PolarHBondContact O-N 3.21Å; I64-R66 PolarHBondContact O-N 3.01Å; I64-G67 PolarHBondContact O-N 3.35Å; I64-S69 WeakPolarHBondContact CA-OG 3.42Å; I64-S69 WeakPolarHBondContact CG1-OG 3.24Å; I64-F97 HydrophobicContact CD1-CD1 4.27Å; I64-F97 HydrophobicContact CD1-CE1 3.43Å; I64-F97 VanDerWaalsContact CD1-CE1 3.43Å; I64-F97 HydrophobicContact CD1-CZ 4.28Å
65	K	82.7	Confident	87.4	Confident	149 Å²	149	46.2 Å²	46.2	65%	0.648	25%	0.25	S	C	*	.	H	α-helix	trans	-61.7	-28.3	177.4	-84	-172.5	157.2	-176.8	0	113.7	W61 Q63 G67	W61-K65 HydrophobicContact CD2-CG 4.48Å; W61-K65 HydrophobicContact CZ2-CG 4.38Å; W61-K65 WeakPolarHBondContact O-CB 3.38Å; W61-K65 WeakPolarHBondContact O-CG 3.37Å; W61-K65 PolarHBondContact O-N 3.23Å; Q63-K65 PolarHBondContact O-N 3.36Å; K65-G67 VanDerWaalsContact C-N 3.33Å
66	R	86.9	Confident	87.4	Confident	171 Å²	171	45.2 Å²	45.2	65%	0.645	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-3.8	176.9	-71.2	-176.5	-70.6	171.5	0.6	113.1	A62 Q63 I64 A68	A62-R66 WeakPolarHBondContact O-CG 3.26Å; A62-R66 PolarHBondContact O-NE 3.41Å; Q63-R66 CarbonylContact O-C 3.57Å; Q63-R66 PolarHBondContact O-N 3.08Å; Q63-R66 VanDerWaalsContact O-N 3.07Å; I64-R66 PolarHBondContact O-N 3.01Å; R66-A68 HydrophobicContact CB-CB 4.37Å; R66-A68 PolarHBondContact O-N 3.49Å
67	G	84.3	Confident	87.6	Confident	63 Å²	63	41 Å²	41	65%	0.649	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.2	12.6	-173.4	0	0	0	0	0	114	Q63 I64 K65	Q63-G67 PolarHBondContact O-N 2.53Å; Q63-G67 VanDerWaalsContact O-N 3.17Å; I64-G67 PolarHBondContact O-N 3.35Å; K65-G67 VanDerWaalsContact C-N 3.33Å
68	A	84.5	Confident	87.5	Confident	54 Å²	54	39.5 Å²	39.5	45%	0.446	22%	0.217	S	C	.	.			trans	-100.2	16.5	-174.2	0	0	0	0	0	113.1	I53 Q63 R66	I53-A68 WeakPolarHBondContact CD1-O 3.35Å; Q63-A68 PolarHBondContact O-N 2.73Å; R66-A68 HydrophobicContact CB-CB 4.37Å; R66-A68 PolarHBondContact O-N 3.49Å
69	S	88.5	Confident	87.4	Confident	18 Å²	18	41.4 Å²	41.4	13%	0.126	23%	0.225	C	C	.	.			trans	-109.9	7	-174.9	73.4	0	0	0	0	113.7	A58 I64 H71	A58-S69 WeakPolarHBondContact O-CB 3.24Å; I64-S69 WeakPolarHBondContact CA-OG 3.42Å; I64-S69 WeakPolarHBondContact CG1-OG 3.24Å; S69-H71 PolarHBondContact O-N 3.41Å; S69-H71 PolarHBondContact O-ND1 3.28Å
70	L	92.8	Very high	87.5	Confident	32 Å²	32	42.8 Å²	42.8	17%	0.168	23%	0.233	C	C	.	.			trans	-71.6	123.5	-172.3	-170.1	62.9	0	0	0	110	L10 A42 V43 D44 T45	L10-L70 HydrophobicContact CD2-CD1 4.08Å; L10-L70 HydrophobicContact CD2-CD2 4.2Å; L10-L70 HydrophobicContact CD2-CG 4.28Å; A42-L70 WeakPolarHBondContact CA-O 3.26Å; V43-L70 HydrophobicContact CG2-CD2 4.27Å; V43-L70 HydrophobicContact CG2-CG 3.84Å; V43-L70 PolarHBondContact N-O 2.96Å; V43-L70 VanDerWaalsContact N-O 3.07Å; V43-L70 WeakPolarHBondContact O-CB 3.23Å; V43-L70 WeakPolarHBondContact O-CD2 3.12Å; V43-L70 WeakPolarHBondContact O-CG 3.3Å; D44-L70 WeakPolarHBondContact O-CD2 3.28Å; T45-L70 HydrophobicContact CG2-CD2 4.24Å
71	H	93.3	Very high	87.6	Confident	12 Å²	12	46.4 Å²	46.4	6%	0.056	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-144.3	152.8	-175.9	59.2	-82	0	0	0	110.5	L40 I41 I53 A58 H59 S69 H123	L40-H71 HydrophobicContact CB-CB 4.48Å; I41-H71 CarbonylContact O-C 3.49Å; I41-H71 WeakPolarHBondContact O-CA 3.34Å; I41-H71 WeakPolarHBondContact O-CB 3.42Å; I53-H71 HydrophobicContact CG2-CB 3.89Å; A58-H71 HydrophobicContact CB-CB 4.45Å; A58-H71 WeakPolarHBondContact CB-ND1 3.42Å; H59-H71 AromaticContact CE1-CE1 3.91Å; H59-H71 AromaticContact CE1-NE2 3.5Å; H59-H71 PolarHBondContact CE1-NE2 3.34Å; H59-H71 AromaticContact NE2-NE2 3.79Å; S69-H71 PolarHBondContact O-N 3.41Å; S69-H71 PolarHBondContact O-ND1 3.28Å; H71-H123 AromaticContact CD2-CD2 3.45Å; H71-H123 PolarHBondContact CD2-CD2 2.89Å; H71-H123 VanDerWaalsContact CD2-CD2 3.45Å; H71-H123 AromaticContact CD2-NE2 3.86Å; H71-H123 AromaticContact NE2-CD2 3.56Å; H71-H123 AromaticContact NE2-NE2 3.43Å; H71-H123 PolarHBondContact NE2-NE2 2.95Å
72	R	93.2	Very high	88.1	Confident	7 Å²	7	51.3 Å²	51.3	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	141	-179.8	-166.4	170.7	-70.2	149.1	-7.1	110.9	I41 V43 D47 P124 D133	I41-R72 HydrophobicContact CB-CB 4.13Å; I41-R72 HydrophobicContact CG2-CB 4.47Å; I41-R72 PolarHBondContact O-N 2.78Å; V43-R72 HydrophobicContact CG1-CB 4.12Å; D47-R72 PolarHBondContact O-NH2 2.92Å; D47-R72 IonicContact OD1-CZ 2.91Å; D47-R72 IonicContact OD1-NE 3.39Å; D47-R72 PolarHBondContact OD1-NE 2.94Å; D47-R72 IonicContact OD1-NH2 2.62Å; D47-R72 IonicContact OD2-NE 3.12Å; R72-P124 HydrophobicContact CB-CG 3.98Å; R72-P124 HydrophobicContact CG-CG 3.94Å; R72-P124 WeakPolarHBondContact O-CD 3.49Å; R72-D133 IonicContact CZ-OD1 3.92Å; R72-D133 IonicContact CZ-OD2 3.88Å; R72-D133 IonicContact NH1-OD1 3.69Å; R72-D133 PolarHBondContact NH1-OD1 2.78Å; R72-D133 IonicContact NH1-OD2 3.87Å; R72-D133 PolarHBondContact NH1-OD2 2.79Å; R72-D133 IonicContact NH2-OD1 2.66Å; R72-D133 IonicContact NH2-OD2 2.69Å; R72-D133 PolarHBondContact NH2-OD2 2.66Å
73	A	91.9	Very high	88.2	Confident	11 Å²	11	51.2 Å²	51.2	9%	0.091	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	162.2	176.5	0	0	0	0	0	111	F9	F9-A73 PolarHBondContact N-O 3.45Å; F9-A73 VanDerWaalsContact N-O 3.08Å
74	F	91.3	Very high	88.2	Confident	4 Å²	4	54 Å²	54	2%	0.018	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.9	172.8	67.6	-100.1	0	0	0	111.8	R7 V76 C121 S122 I140 A143 A144 K147	R7-F74 WeakPolarHBondContact O-CA 3.48Å; F74-V76 HydrophobicContact CD2-CG2 3.87Å; F74-V76 HydrophobicContact CE2-CG2 3.92Å; F74-C121 WeakPolarHBondContact O-CA 3.49Å; F74-S122 WeakPolarHBondContact CD1-O 3.23Å; F74-S122 PolarHBondContact N-O 2.92Å; F74-S122 PolarHBondContact O-N 2.85Å; F74-I140 HydrophobicContact CB-CG2 3.62Å; F74-I140 HydrophobicContact CD1-CG2 4.39Å; F74-I140 HydrophobicContact CG-CG2 4.2Å; F74-A143 HydrophobicContact CD1-CB 4.05Å; F74-A143 HydrophobicContact CE1-CB 3.5Å; F74-A143 HydrophobicContact CZ-CB 4.29Å; F74-A143 WeakPolarHBondContact CZ-O 3.44Å; F74-A144 HydrophobicContact CD2-CB 4.08Å; F74-A144 HydrophobicContact CE2-CB 3.81Å; F74-A144 VanDerWaalsContact CZ-CA 3.46Å; F74-A144 HydrophobicContact CZ-CB 4.17Å; F74-K147 HydrophobicContact CZ-CB 3.9Å; F74-K147 HydrophobicContact CZ-CG 3.84Å
75	S	89.7	Confident	88.4	Confident	17 Å²	17	56.1 Å²	56.1	12%	0.119	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.5	174.2	-169.3	0	0	0	0	109.9	I6 R7 N118 C120 C121	I6-S75 WeakPolarHBondContact CA-O 3.27Å; R7-S75 PolarHBondContact N-O 3.32Å; R7-S75 PolarHBondContact O-N 2.77Å; S75-N118 PolarHBondContact OG-ND2 2.88Å; S75-C120 CarbonylContact C-O 3.56Å; S75-C120 WeakPolarHBondContact CA-O 3.31Å; S75-C121 PolarHBondContact OG-SG 2.93Å; S75-C121 VanDerWaalsContact OG-SG 3.34Å
76	V	88.7	Confident	88.4	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.7	179.9	179.4	0	0	0	0	110.1	L4 K5 I6 F74 N118 T119 C120 A144 M148	L4-V76 HydrophobicContact CD1-CG1 3.47Å; L4-V76 VanDerWaalsContact CD1-CG1 3.47Å; L4-V76 HydrophobicContact CD2-CG1 4.14Å; L4-V76 HydrophobicContact CG-CG1 3.87Å; K5-V76 CarbonylContact O-C 3.56Å; I6-V76 HydrophobicContact CG1-CG2 4.46Å; F74-V76 HydrophobicContact CD2-CG2 3.87Å; F74-V76 HydrophobicContact CE2-CG2 3.92Å; V76-N118 PolarHBondContact N-ND2 3.07Å; V76-N118 PolarHBondContact O-ND2 3.36Å; V76-T119 WeakPolarHBondContact O-CA 3.42Å; V76-T119 VanDerWaalsContact O-CB 3.24Å; V76-T119 WeakPolarHBondContact O-CB 3.14Å; V76-T119 PolarHBondContact O-N 2.85Å; V76-T119 VanDerWaalsContact O-N 3.13Å; V76-C120 HydrophobicContact CB-CB 3.98Å; V76-C120 HydrophobicContact CG2-CB 4.19Å; V76-C120 PolarHBondContact N-O 2.7Å; V76-C120 PolarHBondContact O-N 3.49Å; V76-A144 HydrophobicContact CG2-CB 3.82Å; V76-M148 HydrophobicContact CG1-SD 3.78Å; V76-M148 HydrophobicContact CG2-SD 4.44Å
77	F	89.7	Confident	88.4	Confident	43 Å²	43	46.3 Å²	46.3	19%	0.189	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	106.5	172.1	-56.5	-94.2	0	0	0	107.8	K5 R7 F79 M85 N118 L165	K5-F77 HydrophobicContact CB-CB 4.08Å; K5-F77 PolarHBondContact N-O 3Å; K5-F77 PolarHBondContact O-N 3Å; R7-F77 HydrophobicContact CB-CE2 4.39Å; R7-F77 HydrophobicContact CG-CE2 4.2Å; F77-F79 HydrophobicContact CB-CE2 3.6Å; F77-F79 HydrophobicContact CB-CZ 4.1Å; F77-F79 WeakPolarHBondContact O-CD2 3.2Å; F77-M85 HydrophobicContact CB-SD 4.38Å; F77-M85 HydrophobicContact CD1-SD 3.57Å; F77-M85 VanDerWaalsContact CD1-SD 3.57Å; F77-M85 HydrophobicContact CE1-SD 4.39Å; F77-M85 HydrophobicContact CG-SD 4.46Å; F77-N118 HydrophobicContact CD1-CB 3.88Å; F77-N118 HydrophobicContact CE1-CB 3.62Å; F77-N118 HydrophobicContact CZ-CB 4.17Å; F77-L165 HydrophobicContact CD2-CD1 4.21Å
78	L	86.1	Confident	88.2	Confident	27 Å²	27	45.5 Å²	45.5	14%	0.141	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.1	178	178	66.8	0	0	0	109.5	H2 L4 M85 L86 T119 M148	H2-L78 HydrophobicContact CB-CD1 4.29Å; L4-L78 HydrophobicContact CD1-CB 3.77Å; L4-L78 HydrophobicContact CD1-CD1 3.43Å; L4-L78 VanDerWaalsContact CD1-CD1 3.43Å; L4-L78 HydrophobicContact CD1-CG 4.16Å; L78-M85 CarbonylContact O-C 3.56Å; L78-M85 WeakPolarHBondContact O-CA 3.48Å; L78-L86 HydrophobicContact CB-CB 4.31Å; L78-L86 HydrophobicContact CD2-CB 4.43Å; L78-L86 HydrophobicContact CD2-CD2 3.87Å; L78-L86 PolarHBondContact O-N 3.06Å; L78-T119 HydrophobicContact CB-CG2 3.61Å; L78-T119 HydrophobicContact CD2-CG2 4.33Å; L78-T119 PolarHBondContact N-OG1 2.83Å; L78-M148 HydrophobicContact CD2-CE 4.29Å
79	F	87.1	Confident	87.9	Confident	42 Å²	42	48 Å²	48	18%	0.184	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.6	178.4	-60.5	-95.3	0	0	0	110.8	A3 K5 F77 G83 D84 M85	A3-F79 HydrophobicContact CB-CB 4.27Å; A3-F79 PolarHBondContact N-O 3.26Å; A3-F79 PolarHBondContact O-N 2.64Å; K5-F79 HydrophobicContact CB-CE2 4.13Å; K5-F79 HydrophobicContact CD-CD2 4.13Å; K5-F79 HydrophobicContact CD-CE2 3.59Å; K5-F79 HydrophobicContact CD-CZ 4.31Å; K5-F79 HydrophobicContact CG-CE2 4.34Å; F77-F79 HydrophobicContact CB-CE2 3.6Å; F77-F79 HydrophobicContact CB-CZ 4.1Å; F77-F79 WeakPolarHBondContact O-CD2 3.2Å; F79-G83 WeakPolarHBondContact CD1-O 3.27Å; F79-D84 CarbonylContact C-O 3.58Å; F79-D84 WeakPolarHBondContact CA-O 3.38Å; F79-M85 HydrophobicContact CD1-CB 3.94Å; F79-M85 HydrophobicContact CD1-CG 4.45Å; F79-M85 HydrophobicContact CE1-CB 3.67Å; F79-M85 HydrophobicContact CE1-CG 4.01Å; F79-M85 HydrophobicContact CE1-SD 4.35Å; F79-M85 HydrophobicContact CZ-CB 4.29Å; F79-M85 HydrophobicContact CZ-CG 4.12Å; F79-M85 HydrophobicContact CZ-SD 4.13Å
80	N	84.9	Confident	87.2	Confident	54 Å²	54	48.8 Å²	48.8	29%	0.289	26%	0.261	S	S	.	.			trans	-73.6	179.7	169	73	5.5	0	0	0	110.7	E82 G83 D84	N80-E82 PolarHBondContact O-N 2.86Å; N80-E82 WeakPolarHBondContact OD1-CA 3.29Å; N80-E82 WeakPolarHBondContact OD1-CB 3.25Å; N80-E82 PolarHBondContact OD1-N 3.37Å; N80-G83 PolarHBondContact O-N 3.38Å; N80-G83 PolarHBondContact OD1-N 3.31Å; N80-D84 PolarHBondContact N-O 3.5Å; N80-D84 PolarHBondContact ND2-OD2 3.49Å; N80-D84 VanDerWaalsContact ND2-OD2 3.11Å; N80-D84 PolarHBondContact OD1-N 3.01Å
81	S	86.6	Confident	86.1	Confident	97 Å²	97	49 Å²	49	68%	0.678	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.2	177.1	46.2	0	0	0	0	114.4
82	E	91.2	Very high	84.8	Confident	160 Å²	160	51.2 Å²	51.2	75%	0.748	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-8.3	179	-59.4	177.9	168.9	0	0	111.8	N80	N80-E82 PolarHBondContact O-N 2.86Å; N80-E82 WeakPolarHBondContact OD1-CA 3.29Å; N80-E82 WeakPolarHBondContact OD1-CB 3.25Å; N80-E82 PolarHBondContact OD1-N 3.37Å
83	G	87.6	Confident	83.4	Confident	49 Å²	49	57.5 Å²	57.5	51%	0.505	32%	0.315	S	S	.	.	S	Bend	trans	91.2	6.1	-178.4	0	0	0	0	0	114.4	F79 N80	F79-G83 WeakPolarHBondContact CD1-O 3.27Å; N80-G83 PolarHBondContact O-N 3.38Å; N80-G83 PolarHBondContact OD1-N 3.31Å
84	D	87.5	Confident	82	Confident	91 Å²	91	58.4 Å²	58.4	49%	0.487	32%	0.317	S	S	.	.			trans	-77.9	139	175.2	-57.1	-51.1	0	0	0	111.5	F79 N80	F79-D84 CarbonylContact C-O 3.58Å; F79-D84 WeakPolarHBondContact CA-O 3.38Å; N80-D84 PolarHBondContact N-O 3.5Å; N80-D84 PolarHBondContact ND2-OD2 3.49Å; N80-D84 VanDerWaalsContact ND2-OD2 3.11Å; N80-D84 PolarHBondContact OD1-N 3.01Å
85	M	87.4	Confident	80.5	Confident	77 Å²	77	61.1 Å²	61.1	38%	0.379	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-90.2	130.9	-179.8	-171.6	176.6	72.8	0	0	111.9	F77 L78 F79 I87	F77-M85 HydrophobicContact CB-SD 4.38Å; F77-M85 HydrophobicContact CD1-SD 3.57Å; F77-M85 VanDerWaalsContact CD1-SD 3.57Å; F77-M85 HydrophobicContact CE1-SD 4.39Å; F77-M85 HydrophobicContact CG-SD 4.46Å; L78-M85 CarbonylContact O-C 3.56Å; L78-M85 WeakPolarHBondContact O-CA 3.48Å; F79-M85 HydrophobicContact CD1-CB 3.94Å; F79-M85 HydrophobicContact CD1-CG 4.45Å; F79-M85 HydrophobicContact CE1-CB 3.67Å; F79-M85 HydrophobicContact CE1-CG 4.01Å; F79-M85 HydrophobicContact CE1-SD 4.35Å; F79-M85 HydrophobicContact CZ-CB 4.29Å; F79-M85 HydrophobicContact CZ-CG 4.12Å; F79-M85 HydrophobicContact CZ-SD 4.13Å; M85-I87 HydrophobicContact CE-CG2 3.71Å; M85-I87 PolarHBondContact O-N 2.91Å
86	L	84.3	Confident	79.1	Confident	64 Å²	64	62 Å²	62	34%	0.335	34%	0.335	S	S	.	.			trans	-71.3	112	170.1	-178.4	61.4	0	0	0	110.3	L78 T119 F152	L78-L86 HydrophobicContact CB-CB 4.31Å; L78-L86 HydrophobicContact CD2-CB 4.43Å; L78-L86 HydrophobicContact CD2-CD2 3.87Å; L78-L86 PolarHBondContact O-N 3.06Å; L86-T119 HydrophobicContact CB-CG2 4.21Å; L86-T119 HydrophobicContact CD2-CG2 3.86Å; L86-T119 HydrophobicContact CG-CG2 4.17Å; L86-T119 WeakPolarHBondContact O-CA 3.47Å; L86-T119 WeakPolarHBondContact O-CB 3.39Å; L86-T119 PolarHBondContact O-N 3.45Å; L86-T119 PolarHBondContact O-OG1 3.14Å; L86-F152 HydrophobicContact CD2-CE1 3.89Å; L86-F152 HydrophobicContact CD2-CZ 4.03Å
87	I	85.9	Confident	77.3	Confident	51 Å²	51	62.8 Å²	62.8	26%	0.262	34%	0.338	S	S	.	.			trans	-94.8	145.5	170	56.4	175.3	0	0	0	110.5	M85 W116	M85-I87 HydrophobicContact CE-CG2 3.71Å; M85-I87 PolarHBondContact O-N 2.91Å; I87-W116 HydrophobicContact CB-CE3 4.37Å; I87-W116 HydrophobicContact CD1-CE3 3.79Å; I87-W116 HydrophobicContact CD1-CZ3 3.91Å; I87-W116 HydrophobicContact CG1-CE3 4.09Å; I87-W116 HydrophobicContact CG1-CZ3 4.08Å
88	Q	80.1	Confident	75.8	Confident	45 Å²	45	62.7 Å²	62.7	21%	0.21	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141.1	174.5	-73.2	-151.8	84.3	0	0	111.1	W116 S117 T119 E151 F152	Q88-W116 WeakPolarHBondContact O-CA 3.48Å; Q88-S117 PolarHBondContact N-O 2.85Å; Q88-S117 PolarHBondContact O-N 3.28Å; Q88-T119 VanDerWaalsContact CD-O 3.28Å; Q88-T119 WeakPolarHBondContact CG-O 3.46Å; Q88-T119 PolarHBondContact NE2-O 2.89Å; Q88-E151 PolarHBondContact NE2-OE2 2.91Å; Q88-F152 HydrophobicContact CG-CE1 3.6Å; Q88-F152 HydrophobicContact CG-CZ 3.65Å; Q88-F152 VanDerWaalsContact OE1-CE1 3.28Å
89	K	79.1	Confident	74.4	Confident	106 Å²	106	63.8 Å²	63.8	46%	0.461	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	115.3	162.8	-169.9	176	-177.9	178.3	0	109.1	A91 W116	K89-A91 PolarHBondContact O-N 2.86Å; K89-W116 HydrophobicContact CB-CD2 4.24Å; K89-W116 HydrophobicContact CB-CE3 4.04Å; K89-W116 HydrophobicContact CB-CH2 3.88Å; K89-W116 HydrophobicContact CB-CZ2 4.09Å; K89-W116 HydrophobicContact CB-CZ3 3.88Å; K89-W116 HydrophobicContact CD-CH2 4.32Å; K89-W116 HydrophobicContact CD-CZ2 3.84Å; K89-W116 HydrophobicContact CG-CZ2 4.27Å
90	R	73.7	Confident	73	Confident	35 Å²	35	68 Å²	68	13%	0.132	38%	0.379	C	S	.	.			trans	-62.2	132.3	-179.4	-68	178.7	66	100.6	-12.1	110.3	K94 N114 V115	R90-K94 VanDerWaalsContact CZ-CD 3.4Å; R90-K94 VanDerWaalsContact CZ-CE 3.5Å; R90-K94 VanDerWaalsContact NH2-CD 3.33Å; R90-K94 VanDerWaalsContact NH2-CE 3.32Å; R90-K94 VanDerWaalsContact NH2-CG 3.33Å; R90-N114 VanDerWaalsContact O-CA 3.23Å; R90-N114 WeakPolarHBondContact O-CA 3.42Å; R90-N114 PolarHBondContact O-N 2.94Å; R90-V115 HydrophobicContact CB-CG2 4.43Å; R90-V115 HydrophobicContact CG-CG2 4.31Å; R90-V115 PolarHBondContact N-O 2.79Å
91	A	69.8	Low	71.6	Confident	37 Å²	37	66.6 Å²	66.6	31%	0.306	37%	0.374	S	S	.	.			trans	-53.7	145.6	177.9	0	0	0	0	0	111.8	C30 K89 K93 K94	C30-A91 HydrophobicContact CB-CB 4.31Å; K89-A91 PolarHBondContact O-N 2.86Å; A91-K93 PolarHBondContact O-N 2.78Å; A91-K94 WeakPolarHBondContact O-CB 3.42Å; A91-K94 PolarHBondContact O-N 3.32Å
92	A	64.9	Low	70.2	Confident	59 Å²	59	62.6 Å²	62.6	49%	0.488	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-24.5	-178.6	0	0	0	0	0	113.7	S113	A92-S113 WeakPolarHBondContact O-CB 3.4Å; A92-S113 PolarHBondContact O-OG 2.88Å
93	K	65	Low	68.7	Low	139 Å²	139	57.4 Å²	57.4	60%	0.604	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.2	-177.1	-67.1	170.5	169	-169.4	0	114.2	L32 A91 L95	L32-K93 HydrophobicContact CD1-CB 3.96Å; L32-K93 HydrophobicContact CD1-CD 3.37Å; L32-K93 HydrophobicContact CD1-CG 4.27Å; L32-K93 HydrophobicContact CD2-CB 3.44Å; L32-K93 VanDerWaalsContact CD2-CB 3.44Å; L32-K93 HydrophobicContact CD2-CD 3.78Å; L32-K93 HydrophobicContact CD2-CG 4Å; L32-K93 HydrophobicContact CG-CB 3.55Å; L32-K93 HydrophobicContact CG-CD 3.9Å; L32-K93 HydrophobicContact CG-CG 4.3Å; A91-K93 PolarHBondContact O-N 2.78Å; K93-L95 PolarHBondContact O-N 3.14Å; K93-L95 VanDerWaalsContact O-N 3.09Å
94	K	61.5	Low	67.4	Low	30 Å²	30	64.5 Å²	64.5	13%	0.13	35%	0.345	C	S	.	.			trans	-84.6	80	-177.4	-156.9	173.6	179.3	172.6	0	110.4	F33 R90 A91 E151	F33-K94 HydrophobicContact CD2-CG 3.73Å; F33-K94 HydrophobicContact CE2-CG 4.23Å; R90-K94 VanDerWaalsContact CZ-CD 3.4Å; R90-K94 VanDerWaalsContact CZ-CE 3.5Å; R90-K94 VanDerWaalsContact NH2-CD 3.33Å; R90-K94 VanDerWaalsContact NH2-CE 3.32Å; R90-K94 VanDerWaalsContact NH2-CG 3.33Å; A91-K94 WeakPolarHBondContact O-CB 3.42Å; A91-K94 PolarHBondContact O-N 3.32Å; K94-E151 IonicContact NZ-OE1 3.54Å; K94-E151 PolarHBondContact NZ-OE1 2.9Å
95	L	59.6	Low	65.8	Low	60 Å²	60	69.4 Å²	69.4	31%	0.314	37%	0.365	S	S	.	.			trans	-67.9	136.5	175.3	-65.8	172.3	0	0	0	110.9	K93	K93-L95 PolarHBondContact O-N 3.14Å; K93-L95 VanDerWaalsContact O-N 3.09Å
96	L	59.9	Low	64.3	Low	36 Å²	36	66.7 Å²	66.7	19%	0.188	35%	0.353	C	S	.	.	S	Bend	trans	-78.2	-26.7	171.2	-72.7	-177.8	0	0	0	112.7	L15 I112	L15-L96 HydrophobicContact CD1-CD1 4.18Å; L96-I112 HydrophobicContact CD1-CB 3.52Å; L96-I112 HydrophobicContact CD1-CD1 3.48Å; L96-I112 VanDerWaalsContact CD1-CD1 3.48Å; L96-I112 HydrophobicContact CD1-CG1 4.03Å; L96-I112 HydrophobicContact CD1-CG2 3.64Å; L96-I112 HydrophobicContact CG-CB 3.98Å; L96-I112 HydrophobicContact CG-CG2 4.29Å
97	F	52.5	Low	62.6	Low	17 Å²	17	71.8 Å²	71.8	8%	0.075	37%	0.373	C	S	.	.	S	Bend	trans	-131	134.2	179.1	-58.7	-72.3	0	0	0	108.6	H59 W61 I64 A99 L102 L109	H59-F97 VanDerWaalsContact O-CD1 3.28Å; H59-F97 WeakPolarHBondContact O-CD1 3.47Å; W61-F97 HydrophobicContact CE3-CE1 4.44Å; I64-F97 HydrophobicContact CD1-CD1 4.27Å; I64-F97 HydrophobicContact CD1-CE1 3.43Å; I64-F97 VanDerWaalsContact CD1-CE1 3.43Å; I64-F97 HydrophobicContact CD1-CZ 4.28Å; F97-A99 PolarHBondContact O-N 2.92Å; F97-L102 HydrophobicContact CB-CD1 3.76Å; F97-L102 HydrophobicContact CB-CD2 3.81Å; F97-L102 HydrophobicContact CB-CG 3.62Å; F97-L102 HydrophobicContact CD2-CD1 4.41Å; F97-L102 HydrophobicContact CD2-CD2 3.8Å; F97-L102 HydrophobicContact CD2-CG 4.45Å; F97-L102 HydrophobicContact CG-CD1 4.44Å; F97-L102 HydrophobicContact CG-CD2 3.79Å; F97-L102 HydrophobicContact CG-CG 4.19Å; F97-L109 HydrophobicContact CD2-CB 4Å; F97-L109 HydrophobicContact CE2-CB 4.13Å; F97-L109 HydrophobicContact CE2-CD1 4.24Å; F97-L109 HydrophobicContact CE2-CD2 4.4Å
98	P	58.1	Low	61	Low	41 Å²	41	74.5 Å²	74.5	27%	0.266	40%	0.397	S	S	.	.			trans	-58.6	138.9	172.4	22.3	-27.9	0	0	0	109.5	N100 S101	P98-N100 WeakPolarHBondContact CB-OD1 3.48Å; P98-N100 PolarHBondContact O-N 3.45Å; P98-S101 WeakPolarHBondContact CD-OG 3.4Å; P98-S101 WeakPolarHBondContact CG-OG 3.15Å; P98-S101 PolarHBondContact O-N 2.87Å; P98-S101 PolarHBondContact O-OG 3.02Å
99	A	55.4	Low	59.7	Low	49 Å²	49	74.5 Å²	74.5	41%	0.405	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.2	-168.2	0	0	0	0	0	114	F97 K110	F97-A99 PolarHBondContact O-N 2.92Å; A99-K110 WeakPolarHBondContact O-CE 3.5Å; A99-K110 PolarHBondContact O-NZ 3.5Å
100	N	57.6	Low	58.2	Low	130 Å²	130	73.8 Å²	73.8	70%	0.695	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-14.2	178.2	62.8	-9.6	0	0	0	114.2	P98	P98-N100 WeakPolarHBondContact CB-OD1 3.48Å; P98-N100 PolarHBondContact O-N 3.45Å
101	S	55.6	Low	57.1	Low	26 Å²	26	73.8 Å²	73.8	18%	0.182	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-12.1	179.9	66.7	0	0	0	0	113.2	W61 P98	W61-S101 WeakPolarHBondContact CB-O 3.36Å; P98-S101 WeakPolarHBondContact CD-OG 3.4Å; P98-S101 WeakPolarHBondContact CG-OG 3.15Å; P98-S101 PolarHBondContact O-N 2.87Å; P98-S101 PolarHBondContact O-OG 3.02Å
102	L	57.5	Low	56.5	Low	13 Å²	13	73.1 Å²	73.1	7%	0.068	40%	0.397	C	S	.	.	S	Bend	trans	-83.6	138.9	-177.3	-76.8	170.3	0	0	0	111.6	F97 L109 K110	F97-L102 HydrophobicContact CB-CD1 3.76Å; F97-L102 HydrophobicContact CB-CD2 3.81Å; F97-L102 HydrophobicContact CB-CG 3.62Å; F97-L102 HydrophobicContact CD2-CD1 4.41Å; F97-L102 HydrophobicContact CD2-CD2 3.8Å; F97-L102 HydrophobicContact CD2-CG 4.45Å; F97-L102 HydrophobicContact CG-CD1 4.44Å; F97-L102 HydrophobicContact CG-CD2 3.79Å; F97-L102 HydrophobicContact CG-CG 4.19Å; L102-L109 HydrophobicContact CD1-CB 4.23Å; L102-L109 HydrophobicContact CD2-CB 3.7Å; L102-L109 HydrophobicContact CD2-CD1 4.18Å; L102-K110 HydrophobicContact CD1-CB 3.58Å; L102-K110 HydrophobicContact CD1-CD 4.45Å; L102-K110 HydrophobicContact CD1-CG 3.65Å
103	P	59.3	Low	56.1	Low	50 Å²	50	71.5 Å²	71.5	33%	0.325	38%	0.381	S	S	.	.			trans	-52.6	143.6	167.8	-21.4	31.4	0	0	0	109.6	W61 Q105 S106	W61-P103 VanDerWaalsContact CD1-CD 3.44Å; W61-P103 HydrophobicContact CG-CG 4.41Å; P103-Q105 PolarHBondContact O-N 3.34Å; P103-S106 WeakPolarHBondContact O-CB 3.38Å; P103-S106 PolarHBondContact O-N 3.18Å
104	Q	60.8	Low	55.9	Low	198 Å²	198	68.9 Å²	68.9	93%	0.925	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-27.8	-176.6	-130.5	168.4	6.7	0	0	112.9
105	Q	55	Low	56.4	Low	195 Å²	195	70.1 Å²	70.1	91%	0.911	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	0.1	176.8	-69.6	178.8	4.5	0	0	114.9	P103 F107	P103-Q105 PolarHBondContact O-N 3.34Å; Q105-F107 VanDerWaalsContact C-N 3.29Å; Q105-F107 PolarHBondContact O-N 2.95Å
106	S	54.1	Low	57.2	Low	19 Å²	19	71.3 Å²	71.3	13%	0.133	39%	0.385	C	S	.	.			trans	-93.9	43.5	-176.1	-160.5	0	0	0	0	113	P103 S108 L109 K110	P103-S106 WeakPolarHBondContact O-CB 3.38Å; P103-S106 PolarHBondContact O-N 3.18Å; S106-S108 PolarHBondContact O-N 3.19Å; S106-L109 PolarHBondContact O-N 3.43Å; S106-L109 VanDerWaalsContact OG-CB 3.3Å; S106-L109 WeakPolarHBondContact OG-CB 3.25Å; S106-L109 VanDerWaalsContact OG-CD1 3.23Å; S106-L109 WeakPolarHBondContact OG-CD1 3.43Å; S106-L109 VanDerWaalsContact OG-CG 3.26Å; S106-L109 WeakPolarHBondContact OG-CG 3.49Å; S106-K110 WeakPolarHBondContact O-CB 3.5Å; S106-K110 PolarHBondContact O-N 3.06Å; S106-K110 VanDerWaalsContact O-N 3.07Å
107	F	50.3	Low	58.1	Low	172 Å²	172	71.3 Å²	71.3	75%	0.754	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-34.7	178.4	-168.9	-100.6	0	0	0	111.8	Q105 L109 K110	Q105-F107 VanDerWaalsContact C-N 3.29Å; Q105-F107 PolarHBondContact O-N 2.95Å; F107-L109 VanDerWaalsContact C-N 3.34Å; F107-L109 PolarHBondContact O-N 3.11Å; F107-K110 WeakPolarHBondContact O-CB 3.26Å; F107-K110 PolarHBondContact O-N 3.13Å
108	S	51.1	Low	59.7	Low	108 Å²	108	71.6 Å²	71.6	76%	0.755	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-22.8	178.7	-161.7	0	0	0	0	114.6	S106	S106-S108 PolarHBondContact O-N 3.19Å
109	L	52.2	Low	61	Low	45 Å²	45	69.6 Å²	69.6	24%	0.236	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-21.1	171.3	-61.5	-177.4	0	0	0	111.6	W61 F97 L102 S106 F107 G111 I112	W61-L109 HydrophobicContact CE3-CD1 4.49Å; W61-L109 HydrophobicContact CH2-CD1 4.17Å; W61-L109 HydrophobicContact CZ3-CD1 3.97Å; F97-L109 HydrophobicContact CD2-CB 4Å; F97-L109 HydrophobicContact CE2-CB 4.13Å; F97-L109 HydrophobicContact CE2-CD1 4.24Å; F97-L109 HydrophobicContact CE2-CD2 4.4Å; L102-L109 HydrophobicContact CD1-CB 4.23Å; L102-L109 HydrophobicContact CD2-CB 3.7Å; L102-L109 HydrophobicContact CD2-CD1 4.18Å; S106-L109 PolarHBondContact O-N 3.43Å; S106-L109 VanDerWaalsContact OG-CB 3.3Å; S106-L109 WeakPolarHBondContact OG-CB 3.25Å; S106-L109 VanDerWaalsContact OG-CD1 3.23Å; S106-L109 WeakPolarHBondContact OG-CD1 3.43Å; S106-L109 VanDerWaalsContact OG-CG 3.26Å; S106-L109 WeakPolarHBondContact OG-CG 3.49Å; F107-L109 VanDerWaalsContact C-N 3.34Å; F107-L109 PolarHBondContact O-N 3.11Å; L109-G111 PolarHBondContact O-N 3.32Å; L109-I112 HydrophobicContact CD2-CD1 4.27Å
110	K	49.3	Very low	62.4	Low	90 Å²	90	67.3 Å²	67.3	39%	0.391	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	46.1	175.7	-143.4	171.1	-159	-178	0	111.2	A99 L102 S106 F107	A99-K110 WeakPolarHBondContact O-CE 3.5Å; A99-K110 PolarHBondContact O-NZ 3.5Å; L102-K110 HydrophobicContact CD1-CB 3.58Å; L102-K110 HydrophobicContact CD1-CD 4.45Å; L102-K110 HydrophobicContact CD1-CG 3.65Å; S106-K110 WeakPolarHBondContact O-CB 3.5Å; S106-K110 PolarHBondContact O-N 3.06Å; S106-K110 VanDerWaalsContact O-N 3.07Å; F107-K110 WeakPolarHBondContact O-CB 3.26Å; F107-K110 PolarHBondContact O-N 3.13Å
111	G	50.4	Low	63.9	Low	35 Å²	35	63 Å²	63	36%	0.361	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	162.9	33.4	-172	0	0	0	0	0	117.1	L109 S113	L109-G111 PolarHBondContact O-N 3.32Å; G111-S113 PolarHBondContact O-N 2.9Å
112	I	56.2	Low	65.6	Low	24 Å²	24	62.6 Å²	62.6	12%	0.123	34%	0.335	C	S	.	.			trans	-76.4	61.5	164.3	-59.2	169.2	0	0	0	108.7	L15 L96 L109 V115	L15-I112 HydrophobicContact CD1-CD1 3.82Å; L96-I112 HydrophobicContact CD1-CB 3.52Å; L96-I112 HydrophobicContact CD1-CD1 3.48Å; L96-I112 VanDerWaalsContact CD1-CD1 3.48Å; L96-I112 HydrophobicContact CD1-CG1 4.03Å; L96-I112 HydrophobicContact CD1-CG2 3.64Å; L96-I112 HydrophobicContact CG-CB 3.98Å; L96-I112 HydrophobicContact CG-CG2 4.29Å; L109-I112 HydrophobicContact CD2-CD1 4.27Å; I112-V115 HydrophobicContact CG2-CB 4.21Å; I112-V115 HydrophobicContact CG2-CG1 3.67Å; I112-V115 HydrophobicContact CG2-CG2 3.5Å; I112-V115 VanDerWaalsContact CG2-CG2 3.5Å
113	S	57.8	Low	67.2	Low	24 Å²	24	63.6 Å²	63.6	17%	0.168	34%	0.339	C	S	.	.			trans	-111	143.2	178.6	-68.1	0	0	0	0	105.8	A92 G111 V115	A92-S113 WeakPolarHBondContact O-CB 3.4Å; A92-S113 PolarHBondContact O-OG 2.88Å; G111-S113 PolarHBondContact O-N 2.9Å; S113-V115 VanDerWaalsContact C-N 3.26Å; S113-V115 PolarHBondContact O-N 2.97Å
114	N	60	Low	68.8	Low	84 Å²	84	61.2 Å²	61.2	45%	0.449	32%	0.323	S	S	.	.	S	Bend	trans	64.9	20.9	-177.8	-56.5	-46.4	0	0	0	115.9	R90	R90-N114 VanDerWaalsContact O-CA 3.23Å; R90-N114 WeakPolarHBondContact O-CA 3.42Å; R90-N114 PolarHBondContact O-N 2.94Å
115	V	71	Confident	70.4	Confident	56 Å²	56	53.5 Å²	53.5	34%	0.339	29%	0.288	S	S	.	.			trans	-85.2	144.3	170.8	-61	0	0	0	0	111.5	R90 I112 S113	R90-V115 HydrophobicContact CB-CG2 4.43Å; R90-V115 HydrophobicContact CG-CG2 4.31Å; R90-V115 PolarHBondContact N-O 2.79Å; I112-V115 HydrophobicContact CG2-CB 4.21Å; I112-V115 HydrophobicContact CG2-CG1 3.67Å; I112-V115 HydrophobicContact CG2-CG2 3.5Å; I112-V115 VanDerWaalsContact CG2-CG2 3.5Å; S113-V115 VanDerWaalsContact C-N 3.26Å; S113-V115 PolarHBondContact O-N 2.97Å
116	W	78.2	Confident	72.3	Confident	86 Å²	86	48.6 Å²	48.6	33%	0.326	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.9	168.2	-65.9	97.7	0	0	0	109.5	A22 F23 I87 Q88 K89	A22-W116 HydrophobicContact CB-CH2 3.51Å; A22-W116 HydrophobicContact CB-CZ2 3.21Å; F23-W116 WeakPolarHBondContact O-CZ3 3.41Å; I87-W116 HydrophobicContact CB-CE3 4.37Å; I87-W116 HydrophobicContact CD1-CE3 3.79Å; I87-W116 HydrophobicContact CD1-CZ3 3.91Å; I87-W116 HydrophobicContact CG1-CE3 4.09Å; I87-W116 HydrophobicContact CG1-CZ3 4.08Å; Q88-W116 WeakPolarHBondContact O-CA 3.48Å; K89-W116 HydrophobicContact CB-CD2 4.24Å; K89-W116 HydrophobicContact CB-CE3 4.04Å; K89-W116 HydrophobicContact CB-CH2 3.88Å; K89-W116 HydrophobicContact CB-CZ2 4.09Å; K89-W116 HydrophobicContact CB-CZ3 3.88Å; K89-W116 HydrophobicContact CD-CH2 4.32Å; K89-W116 HydrophobicContact CD-CZ2 3.84Å; K89-W116 HydrophobicContact CG-CZ2 4.27Å
117	S	78.7	Confident	74.2	Confident	36 Å²	36	50.3 Å²	50.3	25%	0.252	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	167.5	177.8	-159.8	0	0	0	0	109.1	Q88	Q88-S117 PolarHBondContact N-O 2.85Å; Q88-S117 PolarHBondContact O-N 3.28Å
118	N	85.1	Confident	76.2	Confident	22 Å²	22	46.7 Å²	46.7	12%	0.118	27%	0.271	C	S	.	.			trans	-53.4	178.5	163.5	69.1	-68.2	0	0	0	112.4	S75 V76 F77 C120 C121	S75-N118 PolarHBondContact OG-ND2 2.88Å; V76-N118 PolarHBondContact N-ND2 3.07Å; V76-N118 PolarHBondContact O-ND2 3.36Å; F77-N118 HydrophobicContact CD1-CB 3.88Å; F77-N118 HydrophobicContact CE1-CB 3.62Å; F77-N118 HydrophobicContact CZ-CB 4.17Å; N118-C120 PolarHBondContact ND2-N 2.94Å; N118-C120 PolarHBondContact ND2-O 3.5Å; N118-C120 PolarHBondContact O-N 2.83Å; N118-C121 VanDerWaalsContact CG-SG 3.51Å; N118-C121 PolarHBondContact ND2-SG 2.71Å; N118-C121 PolarHBondContact OD1-SG 3.45Å
119	T	84.6	Confident	78.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-57.1	-52.9	-174.8	-46.2	0	0	0	0	113.8	V76 L78 L86 Q88 F152	V76-T119 WeakPolarHBondContact O-CA 3.42Å; V76-T119 VanDerWaalsContact O-CB 3.24Å; V76-T119 WeakPolarHBondContact O-CB 3.14Å; V76-T119 PolarHBondContact O-N 2.85Å; V76-T119 VanDerWaalsContact O-N 3.13Å; L78-T119 HydrophobicContact CB-CG2 3.61Å; L78-T119 HydrophobicContact CD2-CG2 4.33Å; L78-T119 PolarHBondContact N-OG1 2.83Å; L86-T119 HydrophobicContact CB-CG2 4.21Å; L86-T119 HydrophobicContact CD2-CG2 3.86Å; L86-T119 HydrophobicContact CG-CG2 4.17Å; L86-T119 WeakPolarHBondContact O-CA 3.47Å; L86-T119 WeakPolarHBondContact O-CB 3.39Å; L86-T119 PolarHBondContact O-N 3.45Å; L86-T119 PolarHBondContact O-OG1 3.14Å; Q88-T119 VanDerWaalsContact CD-O 3.28Å; Q88-T119 WeakPolarHBondContact CG-O 3.46Å; Q88-T119 PolarHBondContact NE2-O 2.89Å; T119-F152 HydrophobicContact CG2-CE2 3.69Å; T119-F152 HydrophobicContact CG2-CZ 3.46Å; T119-F152 VanDerWaalsContact CG2-CZ 3.46Å; T119-F152 WeakPolarHBondContact O-CZ 3.35Å
120	C	85.8	Confident	80.1	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.007	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	138.5	178.8	-174.1	0	0	0	0	110.1	S75 V76 N118 M148 E151 F152	S75-C120 CarbonylContact C-O 3.56Å; S75-C120 WeakPolarHBondContact CA-O 3.31Å; V76-C120 HydrophobicContact CB-CB 3.98Å; V76-C120 HydrophobicContact CG2-CB 4.19Å; V76-C120 PolarHBondContact N-O 2.7Å; V76-C120 PolarHBondContact O-N 3.49Å; N118-C120 PolarHBondContact ND2-N 2.94Å; N118-C120 PolarHBondContact ND2-O 3.5Å; N118-C120 PolarHBondContact O-N 2.83Å; C120-M148 HydrophobicContact CB-CG 4.16Å; C120-E151 PolarHBondContact SG-OE2 3.27Å; C120-F152 HydrophobicContact CB-CE2 4.2Å
121	C	88.8	Confident	82.1	Confident	40 Å²	40	44.2 Å²	44.2	27%	0.27	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	128.3	176.1	-77.7	0	0	0	0	109.5	F74 S75 N118	F74-C121 WeakPolarHBondContact O-CA 3.49Å; S75-C121 PolarHBondContact OG-SG 2.93Å; S75-C121 VanDerWaalsContact OG-SG 3.34Å; N118-C121 VanDerWaalsContact CG-SG 3.51Å; N118-C121 PolarHBondContact ND2-SG 2.71Å; N118-C121 PolarHBondContact OD1-SG 3.45Å
122	S	90.5	Very high	83.9	Confident	17 Å²	17	45.5 Å²	45.5	12%	0.119	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	-168.1	178.5	-172.2	0	0	0	0	109.2	F74 K147	F74-S122 WeakPolarHBondContact CD1-O 3.23Å; F74-S122 PolarHBondContact N-O 2.92Å; F74-S122 PolarHBondContact O-N 2.85Å; S122-K147 WeakPolarHBondContact OG-CD 3.48Å; S122-K147 VanDerWaalsContact OG-CE 3.27Å; S122-K147 WeakPolarHBondContact OG-CE 3.46Å; S122-K147 VanDerWaalsContact OG-CG 3.29Å; S122-K147 WeakPolarHBondContact OG-CG 3.29Å
123	H	92.1	Very high	85	Confident	33 Å²	33	46.3 Å²	46.3	15%	0.153	25%	0.252	C	S	.	.			trans	-120.6	144.8	-176.2	-43.5	102.8	0	0	0	110.1	L40 H59 H71 R146	L40-H123 HydrophobicContact CD1-CB 4.01Å; L40-H123 HydrophobicContact CD2-CB 3.67Å; L40-H123 HydrophobicContact CG-CB 4.34Å; H59-H123 AromaticContact CE1-CE1 3.36Å; H59-H123 PolarHBondContact CE1-CE1 2.84Å; H59-H123 AromaticContact CE1-NE2 3.84Å; H59-H123 AromaticContact NE2-CE1 3.41Å; H59-H123 PolarHBondContact NE2-CE1 2.96Å; H59-H123 AromaticContact NE2-NE2 3.73Å; H71-H123 AromaticContact CD2-CD2 3.45Å; H71-H123 PolarHBondContact CD2-CD2 2.89Å; H71-H123 VanDerWaalsContact CD2-CD2 3.45Å; H71-H123 AromaticContact CD2-NE2 3.86Å; H71-H123 AromaticContact NE2-CD2 3.56Å; H71-H123 AromaticContact NE2-NE2 3.43Å; H71-H123 PolarHBondContact NE2-NE2 2.95Å; H123-R146 PolarHBondContact O-NH2 3.26Å
124	P	93.5	Very high	86	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.			trans	-65.8	143.8	158.9	31.7	-32.5	0	0	0	110	I41 R72 E130 A143	I41-P124 HydrophobicContact CD1-CB 3.85Å; I41-P124 HydrophobicContact CD1-CG 3.74Å; I41-P124 HydrophobicContact CG1-CG 4.28Å; R72-P124 HydrophobicContact CB-CG 3.98Å; R72-P124 HydrophobicContact CG-CG 3.94Å; R72-P124 WeakPolarHBondContact O-CD 3.49Å; P124-E130 VanDerWaalsContact CA-OE2 3.29Å; P124-E130 WeakPolarHBondContact CA-OE2 3.34Å; P124-E130 HydrophobicContact CB-CB 4.12Å; P124-A143 HydrophobicContact CB-CB 3.94Å
125	L	94.5	Very high	86.8	Confident	36 Å²	36	52.5 Å²	52.5	19%	0.188	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-79.5	149.7	175.2	-63	174.2	0	0	0	109.8	T38 L40 N127 E130	T38-L125 HydrophobicContact CG2-CD2 4.39Å; L40-L125 HydrophobicContact CD2-CD2 4.37Å; L125-N127 PolarHBondContact O-N 3.32Å; L125-E130 PolarHBondContact N-OE2 3.09Å
126	Y	94.5	Very high	87.4	Confident	93 Å²	93	53.8 Å²	53.8	37%	0.365	29%	0.293	S	S	.	.	S	Bend	trans	-76.7	76.5	171	-166.9	-96.7	0	0	0	109.9	T39 I41 V49 G51 S52 M131	T39-Y126 HydrophobicContact CG2-CG 4.49Å; T39-Y126 PolarHBondContact O-N 3.37Å; I41-Y126 HydrophobicContact CB-CD2 4.5Å; I41-Y126 HydrophobicContact CG1-CD2 4.24Å; V49-Y126 HydrophobicContact CG1-CE2 4.23Å; G51-Y126 VanDerWaalsContact C-CE2 3.42Å; G51-Y126 WeakPolarHBondContact O-CD2 3.49Å; G51-Y126 WeakPolarHBondContact O-CE2 2.97Å; S52-Y126 VanDerWaalsContact CB-CD1 3.45Å; S52-Y126 VanDerWaalsContact CB-CG 3.43Å; Y126-M131 HydrophobicContact CD1-SD 4.19Å; Y126-M131 HydrophobicContact CD2-CE 3.9Å; Y126-M131 HydrophobicContact CD2-CG 4.41Å; Y126-M131 HydrophobicContact CD2-SD 3.64Å; Y126-M131 HydrophobicContact CE1-SD 4.27Å; Y126-M131 HydrophobicContact CE2-CE 3.43Å; Y126-M131 VanDerWaalsContact CE2-CE 3.43Å; Y126-M131 HydrophobicContact CE2-SD 3.74Å; Y126-M131 HydrophobicContact CG-SD 3.89Å
127	N	94	Very high	87.8	Confident	55 Å²	55	52.2 Å²	52.2	29%	0.294	29%	0.289	S	S	.	.	S	Bend	trans	-145.8	164.6	175.2	69.8	26.8	0	0	0	111.1	L125 E129 E130 M131	L125-N127 PolarHBondContact O-N 3.32Å; N127-E129 PolarHBondContact O-N 2.97Å; N127-E129 VanDerWaalsContact O-N 3.13Å; N127-E129 PolarHBondContact OD1-N 3.31Å; N127-E129 VanDerWaalsContact OD1-N 3.16Å; N127-E130 PolarHBondContact O-N 2.92Å; N127-E130 WeakPolarHBondContact OD1-CB 3.41Å; N127-E130 PolarHBondContact OD1-N 3.35Å; N127-M131 WeakPolarHBondContact O-CB 3.38Å; N127-M131 WeakPolarHBondContact O-CG 3.43Å; N127-M131 PolarHBondContact O-N 3.23Å
128	A	92.2	Very high	88.4	Confident	95 Å²	95	52 Å²	52	79%	0.785	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.2	-176.3	0	0	0	0	0	114
129	E	92.3	Very high	88.8	Confident	130 Å²	130	51 Å²	51	61%	0.607	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-36	-177.8	-63.3	-176.6	178.2	0	0	112.9	N127 G139 R142	N127-E129 PolarHBondContact O-N 2.97Å; N127-E129 VanDerWaalsContact O-N 3.13Å; N127-E129 PolarHBondContact OD1-N 3.31Å; N127-E129 VanDerWaalsContact OD1-N 3.16Å; E129-G139 WeakPolarHBondContact O-CA 3.11Å; E129-R142 WeakPolarHBondContact O-CD 3.41Å; E129-R142 PolarHBondContact O-NH1 3.08Å
130	E	93.5	Very high	89.1	Confident	7 Å²	7	51.2 Å²	51.2	3%	0.033	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-10	-172.5	-63.8	-170.4	-170.6	0	0	114.2	P124 L125 N127 D132 G139 R142 A143 R146	P124-E130 VanDerWaalsContact CA-OE2 3.29Å; P124-E130 WeakPolarHBondContact CA-OE2 3.34Å; P124-E130 HydrophobicContact CB-CB 4.12Å; L125-E130 PolarHBondContact N-OE2 3.09Å; N127-E130 PolarHBondContact O-N 2.92Å; N127-E130 WeakPolarHBondContact OD1-CB 3.41Å; N127-E130 PolarHBondContact OD1-N 3.35Å; E130-D132 VanDerWaalsContact C-N 3.32Å; E130-G139 CarbonylContact O-C 3.58Å; E130-G139 WeakPolarHBondContact O-CA 3.37Å; E130-R142 HydrophobicContact CG-CB 4.4Å; E130-A143 HydrophobicContact CG-CB 4.25Å; E130-A143 VanDerWaalsContact OE2-CB 3.23Å; E130-A143 WeakPolarHBondContact OE2-CB 3.44Å; E130-R146 IonicContact OE1-CZ 3.69Å; E130-R146 IonicContact OE1-NE 2.93Å; E130-R146 PolarHBondContact OE1-NE 3.5Å; E130-R146 IonicContact OE1-NH2 2.7Å; E130-R146 PolarHBondContact OE1-NH2 2.85Å; E130-R146 IonicContact OE2-CZ 2.78Å; E130-R146 IonicContact OE2-NE 2.96Å; E130-R146 IonicContact OE2-NH2 3.19Å; E130-R146 PolarHBondContact OE2-NH2 3.31Å
131	M	91.3	Very high	89.4	Confident	54 Å²	54	52.3 Å²	52.3	27%	0.266	29%	0.285	S	S	.	.			trans	-82.6	-6.3	172.6	-71.6	174.7	66.7	0	0	114.1	I41 V49 Y126 N127 D133	I41-M131 HydrophobicContact CD1-CB 4.31Å; I41-M131 HydrophobicContact CD1-CG 3.68Å; I41-M131 HydrophobicContact CG1-CG 4.02Å; V49-M131 HydrophobicContact CG1-CE 4.41Å; Y126-M131 HydrophobicContact CD1-SD 4.19Å; Y126-M131 HydrophobicContact CD2-CE 3.9Å; Y126-M131 HydrophobicContact CD2-CG 4.41Å; Y126-M131 HydrophobicContact CD2-SD 3.64Å; Y126-M131 HydrophobicContact CE1-SD 4.27Å; Y126-M131 HydrophobicContact CE2-CE 3.43Å; Y126-M131 VanDerWaalsContact CE2-CE 3.43Å; Y126-M131 HydrophobicContact CE2-SD 3.74Å; Y126-M131 HydrophobicContact CG-SD 3.89Å; N127-M131 WeakPolarHBondContact O-CB 3.38Å; N127-M131 WeakPolarHBondContact O-CG 3.43Å; N127-M131 PolarHBondContact O-N 3.23Å; M131-D133 PolarHBondContact O-N 3.39Å
132	D	86.7	Confident	89.6	Confident	62 Å²	62	54.5 Å²	54.5	33%	0.332	29%	0.288	S	S	.	.			trans	-71.1	98	-178.9	-171	-11.4	0	0	0	111	E130 E134 I138 G139	E130-D132 VanDerWaalsContact C-N 3.32Å; D132-E134 PolarHBondContact OD1-N 3.25Å; D132-I138 HydrophobicContact CB-CG2 3.56Å; D132-I138 WeakPolarHBondContact OD2-CG2 3.33Å; D132-G139 WeakPolarHBondContact O-CA 3.33Å; D132-G139 PolarHBondContact O-N 3.02Å
133	D	79.6	Confident	89.7	Confident	42 Å²	42	53.7 Å²	53.7	23%	0.225	28%	0.282	C	S	.	.			trans	-94	-8	-174.3	-72.3	-31.2	0	0	0	113.8	R72 M131 F137	R72-D133 IonicContact CZ-OD1 3.92Å; R72-D133 IonicContact CZ-OD2 3.88Å; R72-D133 IonicContact NH1-OD1 3.69Å; R72-D133 PolarHBondContact NH1-OD1 2.78Å; R72-D133 IonicContact NH1-OD2 3.87Å; R72-D133 PolarHBondContact NH1-OD2 2.79Å; R72-D133 IonicContact NH2-OD1 2.66Å; R72-D133 IonicContact NH2-OD2 2.69Å; R72-D133 PolarHBondContact NH2-OD2 2.66Å; M131-D133 PolarHBondContact O-N 3.39Å; D133-F137 WeakPolarHBondContact O-CD1 3.47Å; D133-F137 WeakPolarHBondContact O-CE1 3.15Å
134	E	78.8	Confident	89.8	Confident	143 Å²	143	52.1 Å²	52.1	67%	0.668	28%	0.275	S	S	*	.	S	Bend	trans	-61	133.1	-178.6	-75.4	-59.5	145.4	0	0	109.6	D132 F137	D132-E134 PolarHBondContact OD1-N 3.25Å; E134-F137 PolarHBondContact O-N 3.43Å
135	P	77.6	Confident	89.7	Confident	95 Å²	95	54.5 Å²	54.5	62%	0.617	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	121.3	174.4	-28.4	36	0	0	0	109.6	F137	P135-F137 HydrophobicContact CG-CE2 4.35Å; P135-F137 HydrophobicContact CG-CZ 4.35Å
136	P	82.7	Confident	89.6	Confident	82 Å²	82	55.8 Å²	55.8	53%	0.532	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	cis	-100.2	39.1	27.6	39.3	-37.8	0	0	0	116.8	K141	P136-K141 WeakPolarHBondContact O-CE 3.41Å; P136-K141 PolarHBondContact O-NZ 3.07Å
137	F	87.2	Confident	89.4	Confident	54 Å²	54	53.1 Å²	53.1	24%	0.237	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	49.7	178.6	-55.7	-84	0	0	0	112.4	D133 E134 P135 G139 I140 K141 K164	D133-F137 WeakPolarHBondContact O-CD1 3.47Å; D133-F137 WeakPolarHBondContact O-CE1 3.15Å; E134-F137 PolarHBondContact O-N 3.43Å; P135-F137 HydrophobicContact CG-CE2 4.35Å; P135-F137 HydrophobicContact CG-CZ 4.35Å; F137-G139 VanDerWaalsContact C-N 3.27Å; F137-G139 PolarHBondContact O-N 2.97Å; F137-I140 HydrophobicContact CB-CB 4.48Å; F137-I140 HydrophobicContact CB-CD1 4.39Å; F137-I140 HydrophobicContact CD1-CD1 4.47Å; F137-I140 PolarHBondContact O-N 3.19Å; F137-K141 PolarHBondContact O-N 3.04Å; F137-K164 HydrophobicContact CD2-CD 3.65Å; F137-K164 HydrophobicContact CE2-CD 3.5Å; F137-K164 HydrophobicContact CZ-CD 4.39Å
138	I	91.5	Very high	89.2	Confident	31 Å²	31	50.5 Å²	50.5	16%	0.159	26%	0.264	C	S	.	.	H	α-helix	trans	-61.4	-34.8	-171.6	-175.8	62.6	0	0	0	112.4	D132 I140 K141 R142 I159	D132-I138 HydrophobicContact CB-CG2 3.56Å; D132-I138 WeakPolarHBondContact OD2-CG2 3.33Å; I138-I140 PolarHBondContact O-N 3.42Å; I138-K141 PolarHBondContact O-N 3.03Å; I138-R142 WeakPolarHBondContact O-CG 3.43Å; I138-R142 PolarHBondContact O-N 3.07Å; I138-I159 HydrophobicContact CD1-CD1 4.12Å; I138-I159 HydrophobicContact CD1-CG2 3.31Å
139	G	92.5	Very high	89	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-44.3	177.9	0	0	0	0	0	112.7	E129 E130 D132 F137 K141 R142 A143	E129-G139 WeakPolarHBondContact O-CA 3.11Å; E130-G139 CarbonylContact O-C 3.58Å; E130-G139 WeakPolarHBondContact O-CA 3.37Å; D132-G139 WeakPolarHBondContact O-CA 3.33Å; D132-G139 PolarHBondContact O-N 3.02Å; F137-G139 VanDerWaalsContact C-N 3.27Å; F137-G139 PolarHBondContact O-N 2.97Å; G139-K141 VanDerWaalsContact C-N 3.33Å; G139-K141 PolarHBondContact O-N 2.74Å; G139-R142 PolarHBondContact O-N 3.31Å; G139-A143 PolarHBondContact O-N 3.01Å
140	I	91.9	Very high	88.7	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-38.8	175.7	-60.2	-178	0	0	0	111.2	I6 P8 F74 F137 I138 A143 A144	I6-I140 HydrophobicContact CG2-CG2 3.91Å; P8-I140 HydrophobicContact CB-CD1 3.83Å; F74-I140 HydrophobicContact CB-CG2 3.62Å; F74-I140 HydrophobicContact CD1-CG2 4.39Å; F74-I140 HydrophobicContact CG-CG2 4.2Å; F137-I140 HydrophobicContact CB-CB 4.48Å; F137-I140 HydrophobicContact CB-CD1 4.39Å; F137-I140 HydrophobicContact CD1-CD1 4.47Å; F137-I140 PolarHBondContact O-N 3.19Å; I138-I140 PolarHBondContact O-N 3.42Å; I140-A143 PolarHBondContact O-N 2.87Å; I140-A144 WeakPolarHBondContact O-CB 3.47Å; I140-A144 PolarHBondContact O-N 3.5Å
141	K	92.1	Very high	88.2	Confident	25 Å²	25	48.2 Å²	48.2	11%	0.109	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-41.8	176.7	-67.6	179.7	178	-172.1	0	112.1	I6 P136 F137 I138 G139 A144 Q145 I159 M162	I6-K141 HydrophobicContact CD1-CG 4.06Å; P136-K141 WeakPolarHBondContact O-CE 3.41Å; P136-K141 PolarHBondContact O-NZ 3.07Å; F137-K141 PolarHBondContact O-N 3.04Å; I138-K141 PolarHBondContact O-N 3.03Å; G139-K141 VanDerWaalsContact C-N 3.33Å; G139-K141 PolarHBondContact O-N 2.74Å; K141-A144 PolarHBondContact O-N 2.78Å; K141-Q145 WeakPolarHBondContact O-CB 3.41Å; K141-Q145 PolarHBondContact O-N 2.88Å; K141-I159 HydrophobicContact CB-CG2 4.01Å; K141-I159 HydrophobicContact CD-CG2 3.91Å; K141-M162 HydrophobicContact CB-SD 3.87Å; K141-M162 HydrophobicContact CD-CB 4.05Å; K141-M162 WeakPolarHBondContact CE-O 3.03Å; K141-M162 HydrophobicContact CG-CB 4.05Å; K141-M162 HydrophobicContact CG-SD 4.23Å; K141-M162 PolarHBondContact NZ-O 3.45Å
142	R	93.2	Very high	87.8	Confident	86 Å²	86	47.9 Å²	47.9	33%	0.325	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-44.6	173.6	-73.3	169.9	177.6	148.3	1.9	111.2	E129 E130 I138 G139 A144 Q145 R146 I159	E129-R142 WeakPolarHBondContact O-CD 3.41Å; E129-R142 PolarHBondContact O-NH1 3.08Å; E130-R142 HydrophobicContact CG-CB 4.4Å; I138-R142 WeakPolarHBondContact O-CG 3.43Å; I138-R142 PolarHBondContact O-N 3.07Å; G139-R142 PolarHBondContact O-N 3.31Å; R142-A144 PolarHBondContact O-N 2.93Å; R142-Q145 PolarHBondContact O-N 2.98Å; R142-R146 WeakPolarHBondContact O-CB 3.39Å; R142-R146 PolarHBondContact O-N 3.43Å; R142-I159 HydrophobicContact CG-CD1 3.73Å
143	A	93	Very high	87.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-43.8	175.8	0	0	0	0	0	112.1	F74 P124 E130 G139 I140 R146 K147	F74-A143 HydrophobicContact CD1-CB 4.05Å; F74-A143 HydrophobicContact CE1-CB 3.5Å; F74-A143 HydrophobicContact CZ-CB 4.29Å; F74-A143 WeakPolarHBondContact CZ-O 3.44Å; P124-A143 HydrophobicContact CB-CB 3.94Å; E130-A143 HydrophobicContact CG-CB 4.25Å; E130-A143 VanDerWaalsContact OE2-CB 3.23Å; E130-A143 WeakPolarHBondContact OE2-CB 3.44Å; G139-A143 PolarHBondContact O-N 3.01Å; I140-A143 PolarHBondContact O-N 2.87Å; A143-R146 PolarHBondContact O-N 3.22Å; A143-K147 WeakPolarHBondContact O-CB 3.17Å; A143-K147 VanDerWaalsContact O-CG 3.27Å; A143-K147 WeakPolarHBondContact O-CG 3.41Å; A143-K147 PolarHBondContact O-N 2.86Å
144	A	92.3	Very high	87.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-47.3	174.7	0	0	0	0	0	112.1	I6 F74 V76 I140 K141 R142 R146 K147 M148 M162	I6-A144 HydrophobicContact CD1-CB 3.8Å; F74-A144 HydrophobicContact CD2-CB 4.08Å; F74-A144 HydrophobicContact CE2-CB 3.81Å; F74-A144 VanDerWaalsContact CZ-CA 3.46Å; F74-A144 HydrophobicContact CZ-CB 4.17Å; V76-A144 HydrophobicContact CG2-CB 3.82Å; I140-A144 WeakPolarHBondContact O-CB 3.47Å; I140-A144 PolarHBondContact O-N 3.5Å; K141-A144 PolarHBondContact O-N 2.78Å; R142-A144 PolarHBondContact O-N 2.93Å; A144-R146 PolarHBondContact O-N 3.21Å; A144-K147 PolarHBondContact O-N 3.28Å; A144-M148 WeakPolarHBondContact O-CB 3.21Å; A144-M148 VanDerWaalsContact O-CG 3.25Å; A144-M148 WeakPolarHBondContact O-CG 3.4Å; A144-M148 PolarHBondContact O-N 3.13Å; A144-M162 HydrophobicContact CB-SD 4.29Å
145	Q	91.9	Very high	87.8	Confident	50 Å²	50	50.3 Å²	50.3	23%	0.234	27%	0.266	C	S	.	.	H	α-helix	trans	-56.7	-52.2	176.5	-174.6	-174.5	62.7	0	0	111.3	K141 R142 K147 M148 S149 P156 V157 M162	K141-Q145 WeakPolarHBondContact O-CB 3.41Å; K141-Q145 PolarHBondContact O-N 2.88Å; R142-Q145 PolarHBondContact O-N 2.98Å; Q145-K147 VanDerWaalsContact C-N 3.33Å; Q145-K147 PolarHBondContact O-N 3.16Å; Q145-M148 PolarHBondContact O-N 2.88Å; Q145-S149 PolarHBondContact O-N 3.17Å; Q145-S149 PolarHBondContact O-OG 2.92Å; Q145-S149 VanDerWaalsContact O-OG 3.06Å; Q145-P156 HydrophobicContact CG-CB 3.68Å; Q145-V157 WeakPolarHBondContact CG-O 3.37Å; Q145-V157 PolarHBondContact NE2-O 2.99Å; Q145-M162 HydrophobicContact CB-CE 3.72Å; Q145-M162 HydrophobicContact CG-CE 4.33Å
146	R	93.3	Very high	88.1	Confident	62 Å²	62	49.8 Å²	49.8	23%	0.234	26%	0.262	C	S	.	.	H	α-helix	trans	-55.2	-48.5	178	173.8	175.8	54.2	75.5	7.2	111.4	H123 E130 R142 A143 A144 S149 Q150	H123-R146 PolarHBondContact O-NH2 3.26Å; E130-R146 IonicContact OE1-CZ 3.69Å; E130-R146 IonicContact OE1-NE 2.93Å; E130-R146 PolarHBondContact OE1-NE 3.5Å; E130-R146 IonicContact OE1-NH2 2.7Å; E130-R146 PolarHBondContact OE1-NH2 2.85Å; E130-R146 IonicContact OE2-CZ 2.78Å; E130-R146 IonicContact OE2-NE 2.96Å; E130-R146 IonicContact OE2-NH2 3.19Å; E130-R146 PolarHBondContact OE2-NH2 3.31Å; R142-R146 WeakPolarHBondContact O-CB 3.39Å; R142-R146 PolarHBondContact O-N 3.43Å; A143-R146 PolarHBondContact O-N 3.22Å; A144-R146 PolarHBondContact O-N 3.21Å; R146-S149 PolarHBondContact O-N 3.35Å; R146-Q150 VanDerWaalsContact O-CG 3.26Å; R146-Q150 WeakPolarHBondContact O-CG 3.41Å; R146-Q150 PolarHBondContact O-N 3.02Å; R146-Q150 VanDerWaalsContact O-N 3.08Å
147	K	90.9	Very high	88.2	Confident	37 Å²	37	47.3 Å²	47.3	16%	0.161	25%	0.245	C	C	.	.	H	α-helix	trans	-70.9	-37.1	-176.3	-71.5	-64	-45.4	168	0	112.9	F74 S122 A143 A144 Q145 Q150 E151	F74-K147 HydrophobicContact CZ-CB 3.9Å; F74-K147 HydrophobicContact CZ-CG 3.84Å; S122-K147 WeakPolarHBondContact OG-CD 3.48Å; S122-K147 VanDerWaalsContact OG-CE 3.27Å; S122-K147 WeakPolarHBondContact OG-CE 3.46Å; S122-K147 VanDerWaalsContact OG-CG 3.29Å; S122-K147 WeakPolarHBondContact OG-CG 3.29Å; A143-K147 WeakPolarHBondContact O-CB 3.17Å; A143-K147 VanDerWaalsContact O-CG 3.27Å; A143-K147 WeakPolarHBondContact O-CG 3.41Å; A143-K147 PolarHBondContact O-N 2.86Å; A144-K147 PolarHBondContact O-N 3.28Å; Q145-K147 VanDerWaalsContact C-N 3.33Å; Q145-K147 PolarHBondContact O-N 3.16Å; K147-Q150 VanDerWaalsContact NZ-OE1 3.15Å; K147-Q150 PolarHBondContact O-N 2.89Å; K147-E151 WeakPolarHBondContact O-CB 3.48Å; K147-E151 WeakPolarHBondContact O-CG 3.14Å; K147-E151 PolarHBondContact O-N 3Å
148	M	88.6	Confident	88.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-46.1	173.7	-73.9	-178.3	69.1	0	0	111.7	L4 V76 L78 C120 A144 Q145 Q150 E151 F152 I154 V157	L4-M148 HydrophobicContact CD1-CE 3.75Å; L4-M148 HydrophobicContact CD1-SD 3.88Å; L4-M148 HydrophobicContact CD2-SD 3.99Å; V76-M148 HydrophobicContact CG1-SD 3.78Å; V76-M148 HydrophobicContact CG2-SD 4.44Å; L78-M148 HydrophobicContact CD2-CE 4.29Å; C120-M148 HydrophobicContact CB-CG 4.16Å; A144-M148 WeakPolarHBondContact O-CB 3.21Å; A144-M148 VanDerWaalsContact O-CG 3.25Å; A144-M148 WeakPolarHBondContact O-CG 3.4Å; A144-M148 PolarHBondContact O-N 3.13Å; Q145-M148 PolarHBondContact O-N 2.88Å; M148-Q150 VanDerWaalsContact C-N 3.27Å; M148-Q150 PolarHBondContact O-N 2.96Å; M148-E151 PolarHBondContact O-N 3.2Å; M148-F152 HydrophobicContact CB-CD2 4.2Å; M148-F152 HydrophobicContact CG-CD2 4.41Å; M148-F152 HydrophobicContact CG-CE2 4.36Å; M148-F152 WeakPolarHBondContact O-CB 3.41Å; M148-F152 WeakPolarHBondContact O-CD2 3.22Å; M148-F152 PolarHBondContact O-N 2.91Å; M148-I154 HydrophobicContact CE-CD1 4.29Å; M148-V157 HydrophobicContact CE-CG2 3.64Å; M148-V157 HydrophobicContact SD-CG2 4.33Å
149	S	88.4	Confident	88.1	Confident	28 Å²	28	48.2 Å²	48.2	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-59.2	-40.3	176.2	-56.5	0	0	0	0	111.6	Q145 R146 N153 P156	Q145-S149 PolarHBondContact O-N 3.17Å; Q145-S149 PolarHBondContact O-OG 2.92Å; Q145-S149 VanDerWaalsContact O-OG 3.06Å; R146-S149 PolarHBondContact O-N 3.35Å; S149-N153 WeakPolarHBondContact O-CA 3.08Å; S149-N153 PolarHBondContact O-N 2.69Å; S149-N153 VanDerWaalsContact O-N 3.13Å; S149-P156 WeakPolarHBondContact OG-CA 3.47Å
150	Q	86.4	Confident	87.7	Confident	117 Å²	117	53.1 Å²	53.1	55%	0.547	29%	0.292	S	S	.	.	H	α-helix	trans	-69.9	-43.6	177.2	-72.5	175.4	-2.4	0	0	113.9	R146 K147 M148	R146-Q150 VanDerWaalsContact O-CG 3.26Å; R146-Q150 WeakPolarHBondContact O-CG 3.41Å; R146-Q150 PolarHBondContact O-N 3.02Å; R146-Q150 VanDerWaalsContact O-N 3.08Å; K147-Q150 VanDerWaalsContact NZ-OE1 3.15Å; K147-Q150 PolarHBondContact O-N 2.89Å; M148-Q150 VanDerWaalsContact C-N 3.27Å; M148-Q150 PolarHBondContact O-N 2.96Å
151	E	83.2	Confident	87.4	Confident	40 Å²	40	54.9 Å²	54.9	19%	0.187	31%	0.305	C	S	.	.	H	α-helix	trans	-79.4	-35.2	-174.3	-71.8	-165.4	168.9	0	0	112.6	Q88 K94 C120 K147 M148	Q88-E151 PolarHBondContact NE2-OE2 2.91Å; K94-E151 IonicContact NZ-OE1 3.54Å; K94-E151 PolarHBondContact NZ-OE1 2.9Å; C120-E151 PolarHBondContact SG-OE2 3.27Å; K147-E151 WeakPolarHBondContact O-CB 3.48Å; K147-E151 WeakPolarHBondContact O-CG 3.14Å; K147-E151 PolarHBondContact O-N 3Å; M148-E151 PolarHBondContact O-N 3.2Å
152	F	83	Confident	87.2	Confident	47 Å²	47	53.8 Å²	53.8	21%	0.206	30%	0.3	C	S	.	.	H	α-helix	trans	-104	-8	-174.9	-63.6	-68.5	0	0	0	114.7	L86 Q88 T119 C120 M148 I154	L86-F152 HydrophobicContact CD2-CE1 3.89Å; L86-F152 HydrophobicContact CD2-CZ 4.03Å; Q88-F152 HydrophobicContact CG-CE1 3.6Å; Q88-F152 HydrophobicContact CG-CZ 3.65Å; Q88-F152 VanDerWaalsContact OE1-CE1 3.28Å; T119-F152 HydrophobicContact CG2-CE2 3.69Å; T119-F152 HydrophobicContact CG2-CZ 3.46Å; T119-F152 VanDerWaalsContact CG2-CZ 3.46Å; T119-F152 WeakPolarHBondContact O-CZ 3.35Å; C120-F152 HydrophobicContact CB-CE2 4.2Å; M148-F152 HydrophobicContact CB-CD2 4.2Å; M148-F152 HydrophobicContact CG-CD2 4.41Å; M148-F152 HydrophobicContact CG-CE2 4.36Å; M148-F152 WeakPolarHBondContact O-CB 3.41Å; M148-F152 WeakPolarHBondContact O-CD2 3.22Å; M148-F152 PolarHBondContact O-N 2.91Å; F152-I154 HydrophobicContact CB-CB 4.45Å; F152-I154 HydrophobicContact CB-CD1 4.05Å; F152-I154 HydrophobicContact CB-CG1 3.93Å; F152-I154 HydrophobicContact CB-CG2 3.93Å; F152-I154 HydrophobicContact CD2-CD1 4.49Å; F152-I154 PolarHBondContact O-N 2.62Å
153	N	83	Confident	86.8	Confident	143 Å²	143	55.3 Å²	55.3	77%	0.765	31%	0.311	S	S	*	.			trans	53.3	41.4	-174.1	-165.4	50.6	0	0	0	112.4	S149	S149-N153 WeakPolarHBondContact O-CA 3.08Å; S149-N153 PolarHBondContact O-N 2.69Å; S149-N153 VanDerWaalsContact O-N 3.13Å
154	I	79	Confident	86.1	Confident	74 Å²	74	60.6 Å²	60.6	38%	0.379	33%	0.334	S	S	.	.			trans	-109.3	161.9	177.9	62.8	178.8	0	0	0	110.8	M148 F152 V157	M148-I154 HydrophobicContact CE-CD1 4.29Å; F152-I154 HydrophobicContact CB-CB 4.45Å; F152-I154 HydrophobicContact CB-CD1 4.05Å; F152-I154 HydrophobicContact CB-CG1 3.93Å; F152-I154 HydrophobicContact CB-CG2 3.93Å; F152-I154 HydrophobicContact CD2-CD1 4.49Å; F152-I154 PolarHBondContact O-N 2.62Å; I154-V157 HydrophobicContact CD1-CG2 4.17Å
155	A	82.4	Confident	85	Confident	81 Å²	81	65.5 Å²	65.5	67%	0.669	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-57.9	144.1	168.7	0	0	0	0	0	110.7	V157	A155-V157 PolarHBondContact O-N 2.8Å; A155-V157 VanDerWaalsContact O-N 3.14Å
156	P	84.8	Confident	84.7	Confident	84 Å²	84	66.3 Å²	66.3	55%	0.545	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-52.3	121	177.5	-26.3	33.9	0	0	0	111.9	Q145 S149	Q145-P156 HydrophobicContact CG-CB 3.68Å; S149-P156 WeakPolarHBondContact OG-CA 3.47Å
157	V	84.1	Confident	84.2	Confident	29 Å²	29	66.5 Å²	66.5	18%	0.176	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-63.6	137	173.9	177.8	0	0	0	0	108.8	L4 Q145 M148 I154 A155 I159 S161 M162	L4-V157 HydrophobicContact CD2-CG1 4.21Å; Q145-V157 WeakPolarHBondContact CG-O 3.37Å; Q145-V157 PolarHBondContact NE2-O 2.99Å; M148-V157 HydrophobicContact CE-CG2 3.64Å; M148-V157 HydrophobicContact SD-CG2 4.33Å; I154-V157 HydrophobicContact CD1-CG2 4.17Å; A155-V157 PolarHBondContact O-N 2.8Å; A155-V157 VanDerWaalsContact O-N 3.14Å; V157-I159 PolarHBondContact O-N 3.47Å; V157-S161 WeakPolarHBondContact CG1-OG 3.1Å; V157-M162 HydrophobicContact CB-CE 3.9Å; V157-M162 HydrophobicContact CG1-CE 4.03Å; V157-M162 WeakPolarHBondContact O-CE 3.29Å
158	S	87.7	Confident	83.8	Confident	62 Å²	62	68.2 Å²	68.2	43%	0.434	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-58.8	130.1	179.4	-175.7	0	0	0	0	111.2	S160 S161 M162	S158-S160 PolarHBondContact O-N 2.83Å; S158-S160 PolarHBondContact OG-N 3.04Å; S158-S160 PolarHBondContact OG-OG 3.34Å; S158-S161 PolarHBondContact O-N 2.89Å; S158-S161 VanDerWaalsContact O-N 3.09Å; S158-S161 PolarHBondContact O-OG 2.92Å; S158-M162 WeakPolarHBondContact O-CG 3.46Å
159	I	87.9	Confident	83.6	Confident	42 Å²	42	72.2 Å²	72.2	22%	0.215	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-57.4	-35.1	175.2	-72	175.4	0	0	0	111.2	I138 K141 R142 V157 S161 M162	I138-I159 HydrophobicContact CD1-CD1 4.12Å; I138-I159 HydrophobicContact CD1-CG2 3.31Å; K141-I159 HydrophobicContact CB-CG2 4.01Å; K141-I159 HydrophobicContact CD-CG2 3.91Å; R142-I159 HydrophobicContact CG-CD1 3.73Å; V157-I159 PolarHBondContact O-N 3.47Å; I159-S161 VanDerWaalsContact C-N 3.26Å; I159-S161 PolarHBondContact O-N 3.15Å; I159-M162 WeakPolarHBondContact O-CB 3.22Å; I159-M162 WeakPolarHBondContact O-CG 3.39Å; I159-M162 PolarHBondContact O-N 3.36Å; I159-M162 VanDerWaalsContact O-N 3.14Å
160	S	85.6	Confident	83.3	Confident	104 Å²	104	74.9 Å²	74.9	73%	0.727	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-66.6	-25.6	179.9	61	0	0	0	0	113.3	S158 M162	S158-S160 PolarHBondContact O-N 2.83Å; S158-S160 PolarHBondContact OG-N 3.04Å; S158-S160 PolarHBondContact OG-OG 3.34Å; S160-M162 VanDerWaalsContact C-N 3.26Å; S160-M162 PolarHBondContact O-N 3.29Å
161	S	85.7	Confident	83	Confident	42 Å²	42	72.1 Å²	72.1	29%	0.294	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-82.8	-4.9	176.7	72.9	0	0	0	0	113.1	V157 S158 I159	V157-S161 WeakPolarHBondContact CG1-OG 3.1Å; S158-S161 PolarHBondContact O-N 2.89Å; S158-S161 VanDerWaalsContact O-N 3.09Å; S158-S161 PolarHBondContact O-OG 2.92Å; I159-S161 VanDerWaalsContact C-N 3.26Å; I159-S161 PolarHBondContact O-N 3.15Å
162	M	87.4	Confident	83	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.005	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.5	-179.9	-46.3	-164.9	171.6	0	0	110.5	L4 I6 K141 A144 Q145 V157 S158 I159 S160	L4-M162 HydrophobicContact CD2-CB 3.98Å; L4-M162 HydrophobicContact CD2-CE 3.77Å; L4-M162 HydrophobicContact CD2-CG 3.41Å; L4-M162 VanDerWaalsContact CD2-CG 3.41Å; L4-M162 HydrophobicContact CD2-SD 3.7Å; I6-M162 HydrophobicContact CD1-CB 3.67Å; I6-M162 HydrophobicContact CD1-CG 4.16Å; I6-M162 HydrophobicContact CD1-SD 3.59Å; I6-M162 VanDerWaalsContact CD1-SD 3.59Å; I6-M162 HydrophobicContact CG1-CB 4.35Å; K141-M162 HydrophobicContact CB-SD 3.87Å; K141-M162 HydrophobicContact CD-CB 4.05Å; K141-M162 WeakPolarHBondContact CE-O 3.03Å; K141-M162 HydrophobicContact CG-CB 4.05Å; K141-M162 HydrophobicContact CG-SD 4.23Å; K141-M162 PolarHBondContact NZ-O 3.45Å; A144-M162 HydrophobicContact CB-SD 4.29Å; Q145-M162 HydrophobicContact CB-CE 3.72Å; Q145-M162 HydrophobicContact CG-CE 4.33Å; V157-M162 HydrophobicContact CB-CE 3.9Å; V157-M162 HydrophobicContact CG1-CE 4.03Å; V157-M162 WeakPolarHBondContact O-CE 3.29Å; S158-M162 WeakPolarHBondContact O-CG 3.46Å; I159-M162 WeakPolarHBondContact O-CB 3.22Å; I159-M162 WeakPolarHBondContact O-CG 3.39Å; I159-M162 PolarHBondContact O-N 3.36Å; I159-M162 VanDerWaalsContact O-N 3.14Å; S160-M162 VanDerWaalsContact C-N 3.26Å; S160-M162 PolarHBondContact O-N 3.29Å
163	Q	84	Confident	83	Confident	118 Å²	118	76.5 Å²	76.5	55%	0.551	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	136.2	-179.7	-64.7	177.6	-23.9	0	0	110.2	L4 K5 I6	L4-Q163 PolarHBondContact O-N 3.46Å; K5-Q163 CarbonylContact C-O 3.59Å; K5-Q163 WeakPolarHBondContact CA-O 3.41Å; I6-Q163 PolarHBondContact N-O 3.01Å
164	K	79.2	Confident	83	Confident	112 Å²	112	71 Å²	71	49%	0.487	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	135.3	168	-178.4	175.1	176.1	-179.5	0	108.2	I6 F137	I6-K164 WeakPolarHBondContact O-CA 3.45Å; F137-K164 HydrophobicContact CD2-CD 3.65Å; F137-K164 HydrophobicContact CE2-CD 3.5Å; F137-K164 HydrophobicContact CZ-CD 4.39Å
165	L	68.8	Low	83.4	Confident	103 Å²	103	70.7 Å²	70.7	54%	0.539	42%	0.422	S	S	.	.			trans	-83.4	0	170	-83	-178.1	0	0	0	112.6	K5 I6 R7 F77	K5-L165 HydrophobicContact CB-CD1 3.72Å; K5-L165 HydrophobicContact CB-CD2 4.08Å; K5-L165 HydrophobicContact CB-CG 3.65Å; K5-L165 HydrophobicContact CD-CD1 4.22Å; K5-L165 HydrophobicContact CD-CD2 3.56Å; K5-L165 HydrophobicContact CD-CG 4.09Å; K5-L165 HydrophobicContact CG-CD1 4.18Å; K5-L165 HydrophobicContact CG-CD2 3.6Å; K5-L165 HydrophobicContact CG-CG 3.75Å; I6-L165 PolarHBondContact O-N 2.83Å; R7-L165 HydrophobicContact CG-CB 3.64Å; R7-L165 HydrophobicContact CG-CD1 3.89Å; R7-L165 HydrophobicContact CG-CG 4.34Å; F77-L165 HydrophobicContact CD2-CD1 4.21Å

Retrieved 165 of 165 residues in 74.7 ms (Link to these results)

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